*HEADER    TRANSCRIPTION                           20-JUL-04   1U2U              
*TITLE     NMR SOLUTION STRUCTURE OF A DESIGNED HETERODIMERIC LEUCINE            
*TITLE    2 ZIPPER                                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GENERAL CONTROL PROTEIN GCN4;                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MOL_ID: 2;                                                           
*COMPND   6 MOLECULE: GENERAL CONTROL PROTEIN GCN4;                              
*COMPND   7 CHAIN: B;                                                            
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SYNTHETIC PEPTIDE BASED ON THE SEQUENCE OF            
*SOURCE   4 THE LEUCINE ZIPPER DOMAIN IN GCN4 (BAKER'S YEAST);                   
*SOURCE   5 MOL_ID: 2;                                                           
*SOURCE   6 SYNTHETIC: YES;                                                      
*SOURCE   7 OTHER_DETAILS: SYNTHETIC PEPTIDE BASED ON THE SEQUENCE OF            
*SOURCE   8 THE LEUCINE ZIPPER DOMAIN IN GCN4 (BAKER'S YEAST)                    
*KEYWDS    COILED COIL, LEUCINE ZIPPER, INTER-HELICAL ION PAIRING,               
*KEYWDS   2 ELECTROSTATIC INTERACTIONS                                           
*EXPDTA    NMR, 27 STRUCTURES                                                    
*AUTHOR    D.N.MARTI, H.R.BOSSHARD                                               
*REVDAT   1   05-OCT-04 1U2U    0                                                

{*distance restraints*}

ASSIGN (RESID   1 AND NAME HN*  ) (RESID   1 AND NAME HA   )    5.3   3.5   1.6
ASSIGN (RESID   1 AND NAME HN*  ) (RESID   1 AND NAME HB*  )    3.5   1.7   1.1
ASSIGN (RESID   1 AND NAME HN*  ) (RESID   1 AND NAME HG2  )    5.5   3.7   1.7
ASSIGN (RESID   1 AND NAME HN*  ) (RESID   2 AND NAME HN   )    3.5   1.7   1.0
ASSIGN (RESID   1 AND NAME HN*  ) (RESID   3 AND NAME HN   )    5.5   3.7   1.7
ASSIGN (RESID   1 AND NAME HN*  ) (RESID   4 AND NAME HN   )    5.0   3.2   1.5
ASSIGN (RESID   1 AND NAME HA   ) (RESID   1 AND NAME HB*  )    3.3   1.5   1.0
ASSIGN (RESID   1 AND NAME HA   ) (RESID   1 AND NAME HG2  )    4.4   2.6   1.3
ASSIGN (RESID   1 AND NAME HA   ) (RESID   2 AND NAME HN   )    2.9   1.1   0.9
ASSIGN (RESID   1 AND NAME HA   ) (RESID   2 AND NAME HB   )    3.9   2.1   1.0
ASSIGN (RESID   1 AND NAME HA   ) (RESID   4 AND NAME HN   )    5.0   3.2   1.5
ASSIGN (RESID   1 AND NAME HA   ) (RESID   4 AND NAME HG*  )    4.5   2.7   1.4
ASSIGN (RESID   1 AND NAME HB*  ) (RESID   1 AND NAME HG1  )    3.1   1.3   0.9
ASSIGN (RESID   1 AND NAME HB*  ) (RESID   1 AND NAME HG2  )    2.8   1.0   0.8
ASSIGN (RESID   1 AND NAME HB*  ) (RESID   2 AND NAME HN   )    3.1   1.3   0.9
ASSIGN (RESID   2 AND NAME HN   ) (RESID   2 AND NAME HA   )    2.7   0.9   0.8
ASSIGN (RESID   2 AND NAME HN   ) (RESID   2 AND NAME HB   )    2.2   0.4   0.7
ASSIGN (RESID   2 AND NAME HN   ) (RESID   2 AND NAME HG1* )    4.4   2.6   1.3
ASSIGN (RESID   2 AND NAME HN   ) (RESID   2 AND NAME HG2* )    5.1   3.3   1.5
ASSIGN (RESID   2 AND NAME HN   ) (RESID   3 AND NAME HN   )    2.6   0.8   0.8
ASSIGN (RESID   2 AND NAME HN   ) (RESID   3 AND NAME HB*  )    5.5   3.7   1.7
ASSIGN (RESID   2 AND NAME HN   ) (RESID   4 AND NAME HN   )    3.9   2.1   1.2
ASSIGN (RESID   2 AND NAME HA   ) (RESID   2 AND NAME HB   )    2.8   1.0   0.8
ASSIGN (RESID   2 AND NAME HA   ) (RESID   2 AND NAME HG1* )    5.3   3.5   1.6
ASSIGN (RESID   2 AND NAME HA   ) (RESID   2 AND NAME HG2* )    3.5   1.7   1.0
ASSIGN (RESID   2 AND NAME HA   ) (RESID   3 AND NAME HN   )    3.4   1.6   1.0
ASSIGN (RESID   2 AND NAME HA   ) (RESID   3 AND NAME HA   )    3.8   2.0   1.1
ASSIGN (RESID   2 AND NAME HA   ) (RESID   4 AND NAME HN   )    4.1   2.3   1.2
ASSIGN (RESID   2 AND NAME HA   ) (RESID   5 AND NAME HN   )    3.4   1.6   1.0
ASSIGN (RESID   2 AND NAME HA   ) (RESID   5 AND NAME HB1  )    4.1   2.3   1.1
ASSIGN (RESID   2 AND NAME HA   ) (RESID   5 AND NAME HB2  )    3.0   1.2   0.9
ASSIGN (RESID   2 AND NAME HA   ) (RESID   5 AND NAME HD*  )    4.2   2.4   1.2
ASSIGN (RESID   2 AND NAME HA   ) (RESID   6 AND NAME HN   )    4.2   2.4   1.2
ASSIGN (RESID   2 AND NAME HB   ) (RESID   2 AND NAME HG1* )    3.6   1.8   1.1
ASSIGN (RESID   2 AND NAME HB   ) (RESID   2 AND NAME HG2* )    3.1   1.3   0.9
ASSIGN (RESID   2 AND NAME HB   ) (RESID   3 AND NAME HN   )    2.8   1.0   0.8
ASSIGN (RESID   2 AND NAME HB   ) (RESID   3 AND NAME HB*  )    3.8   2.0   1.0
ASSIGN (RESID   2 AND NAME HB   ) (RESID   4 AND NAME HN   )    3.7   1.9   1.1
ASSIGN (RESID   2 AND NAME HG1* ) (RESID   2 AND NAME HG2* )    2.9   1.1   0.9
ASSIGN (RESID   2 AND NAME HG1* ) (RESID   3 AND NAME HN   )    4.3   2.5   1.3
ASSIGN (RESID   2 AND NAME HG1* ) (RESID   3 AND NAME HA   )    4.9   3.1   1.5
ASSIGN (RESID   2 AND NAME HG1* ) (RESID   5 AND NAME HN   )    5.5   3.7   1.7
ASSIGN (RESID   2 AND NAME HG1* ) (RESID   6 AND NAME HN   )    5.5   3.7   1.7
ASSIGN (RESID   2 AND NAME HG1* ) (RESID   6 AND NAME HG*  )    4.3   2.5   1.3
ASSIGN (RESID   2 AND NAME HG1* ) (RESID  32 AND NAME HN   )    5.1   3.3   1.5
ASSIGN (RESID   2 AND NAME HG2* ) (RESID   3 AND NAME HN   )    5.5   3.7   1.7
ASSIGN (RESID   2 AND NAME HG2* ) (RESID  32 AND NAME HA   )    4.2   2.4   1.2
ASSIGN (RESID   3 AND NAME HN   ) (RESID   3 AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID   3 AND NAME HN   ) (RESID   3 AND NAME HB*  )    3.1   1.3   0.9
ASSIGN (RESID   3 AND NAME HN   ) (RESID   4 AND NAME HN   )    2.5   0.7   0.7
ASSIGN (RESID   3 AND NAME HN   ) (RESID   4 AND NAME HB*  )    4.7   2.9   1.2
ASSIGN (RESID   3 AND NAME HN   ) (RESID   5 AND NAME HN   )    3.6   1.8   1.0
ASSIGN (RESID   3 AND NAME HN   ) (RESID   6 AND NAME HN   )    3.9   2.1   1.2
ASSIGN (RESID   3 AND NAME HA   ) (RESID   3 AND NAME HB*  )    3.0   1.2   0.9
ASSIGN (RESID   3 AND NAME HA   ) (RESID   4 AND NAME HN   )    3.8   2.0   1.1
ASSIGN (RESID   3 AND NAME HA   ) (RESID   6 AND NAME HN   )    3.3   1.5   0.9
ASSIGN (RESID   3 AND NAME HA   ) (RESID   6 AND NAME HB1  )    4.1   2.3   1.2
ASSIGN (RESID   3 AND NAME HA   ) (RESID   6 AND NAME HB2  )    2.9   1.1   0.9
ASSIGN (RESID   3 AND NAME HA   ) (RESID   6 AND NAME HG*  )    4.6   2.8   1.4
ASSIGN (RESID   3 AND NAME HB*  ) (RESID   4 AND NAME HN   )    3.8   2.0   1.1
ASSIGN (RESID   3 AND NAME HB*  ) (RESID   7 AND NAME HD1  )    3.6   1.8   1.0
ASSIGN (RESID   3 AND NAME HB*  ) (RESID   7 AND NAME HE*  )    5.5   3.7   1.7
ASSIGN (RESID   4 AND NAME HN   ) (RESID   4 AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID   4 AND NAME HN   ) (RESID   4 AND NAME HB*  )    3.0   1.2   0.9
ASSIGN (RESID   4 AND NAME HN   ) (RESID   4 AND NAME HG*  )    3.9   2.1   1.2
ASSIGN (RESID   4 AND NAME HN   ) (RESID   5 AND NAME HN   )    2.5   0.7   0.7
ASSIGN (RESID   4 AND NAME HN   ) (RESID   5 AND NAME HD*  )    5.5   3.7   1.7
ASSIGN (RESID   4 AND NAME HN   ) (RESID   6 AND NAME HN   )    3.6   1.8   1.1
ASSIGN (RESID   4 AND NAME HA   ) (RESID   6 AND NAME HN   )    4.0   2.2   1.2
ASSIGN (RESID   4 AND NAME HA   ) (RESID   6 AND NAME HG*  )    5.5   3.7   1.7
ASSIGN (RESID   4 AND NAME HA   ) (RESID   7 AND NAME HN   )    4.0   2.2   1.2
ASSIGN (RESID   4 AND NAME HA   ) (RESID   7 AND NAME HG*  )    5.1   3.3   1.5
ASSIGN (RESID   4 AND NAME HB*  ) (RESID   4 AND NAME HG*  )    2.9   1.1   0.9
ASSIGN (RESID   4 AND NAME HB*  ) (RESID   5 AND NAME HN   )    3.0   1.2   0.9
ASSIGN (RESID   4 AND NAME HB*  ) (RESID   5 AND NAME HA   )    4.2   2.4   1.2
ASSIGN (RESID   4 AND NAME HB*  ) (RESID   5 AND NAME HG   )    4.0   2.2   1.2
ASSIGN (RESID   4 AND NAME HG*  ) (RESID   4 AND NAME HE21 )    5.1   3.3   1.5
ASSIGN (RESID   4 AND NAME HG*  ) (RESID   4 AND NAME HE22 )    4.3   2.5   1.3
ASSIGN (RESID   4 AND NAME HG*  ) (RESID   5 AND NAME HN   )    4.7   2.9   1.4
ASSIGN (RESID   5 AND NAME HN   ) (RESID   5 AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID   5 AND NAME HN   ) (RESID   5 AND NAME HB1  )    3.3   1.5   1.0
ASSIGN (RESID   5 AND NAME HN   ) (RESID   5 AND NAME HB2  )    2.9   1.1   0.9
ASSIGN (RESID   5 AND NAME HN   ) (RESID   5 AND NAME HG   )    5.0   3.2   1.5
ASSIGN (RESID   5 AND NAME HN   ) (RESID   5 AND NAME HD*  )    4.3   2.5   1.3
ASSIGN (RESID   5 AND NAME HN   ) (RESID   6 AND NAME HN   )    2.6   0.8   0.8
ASSIGN (RESID   5 AND NAME HN   ) (RESID   7 AND NAME HN   )    3.5   1.7   0.9
ASSIGN (RESID   5 AND NAME HN   ) (RESID   8 AND NAME HN   )    5.0   3.2   1.5
ASSIGN (RESID   5 AND NAME HA   ) (RESID   5 AND NAME HB1  )    3.6   1.8   1.1
ASSIGN (RESID   5 AND NAME HA   ) (RESID   5 AND NAME HB2  )    3.2   1.4   0.9
ASSIGN (RESID   5 AND NAME HA   ) (RESID   5 AND NAME HG   )    3.0   1.2   0.9
ASSIGN (RESID   5 AND NAME HA   ) (RESID   5 AND NAME HD*  )    3.8   2.0   1.1
ASSIGN (RESID   5 AND NAME HA   ) (RESID   6 AND NAME HN   )    2.8   1.0   0.8
ASSIGN (RESID   5 AND NAME HA   ) (RESID   6 AND NAME HA   )    3.8   2.0   1.1
ASSIGN (RESID   5 AND NAME HA   ) (RESID   8 AND NAME HN   )    3.1   1.3   0.9
ASSIGN (RESID   5 AND NAME HA   ) (RESID   8 AND NAME HB2  )    3.0   1.2   0.8
ASSIGN (RESID   5 AND NAME HA   ) (RESID   8 AND NAME HG*  )    4.4   2.6   1.3
ASSIGN (RESID   5 AND NAME HA   ) (RESID   9 AND NAME HN   )    4.4   2.6   1.3
ASSIGN (RESID   5 AND NAME HA   ) (RESID  39 AND NAME HG2* )    4.7   2.9   1.4
ASSIGN (RESID   5 AND NAME HB1  ) (RESID   6 AND NAME HN   )    3.6   1.8   1.1
ASSIGN (RESID   5 AND NAME HB1  ) (RESID  35 AND NAME HD1* )    5.0   3.2   1.4
ASSIGN (RESID   5 AND NAME HB2  ) (RESID   6 AND NAME HN   )    2.9   1.1   0.9
ASSIGN (RESID   5 AND NAME HB2  ) (RESID   6 AND NAME HG*  )    4.9   3.1   1.5
ASSIGN (RESID   5 AND NAME HG   ) (RESID   5 AND NAME HD*  )    4.2   2.4   1.3
ASSIGN (RESID   5 AND NAME HG   ) (RESID   6 AND NAME HN   )    4.2   2.4   1.3
ASSIGN (RESID   5 AND NAME HG   ) (RESID  32 AND NAME HG1* )    4.3   2.5   1.2
ASSIGN (RESID   5 AND NAME HG   ) (RESID  36 AND NAME HD1  )    3.2   1.4   0.9
ASSIGN (RESID   5 AND NAME HD*  ) (RESID  32 AND NAME HA   )    4.9   3.1   1.5
ASSIGN (RESID   5 AND NAME HD*  ) (RESID  36 AND NAME HN   )    4.6   2.8   1.4
ASSIGN (RESID   5 AND NAME HD*  ) (RESID  36 AND NAME HA   )    4.7   2.9   1.4
ASSIGN (RESID   5 AND NAME HD*  ) (RESID  36 AND NAME HE2  )    4.2   2.4   1.3
ASSIGN (RESID   6 AND NAME HN   ) (RESID   6 AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID   6 AND NAME HN   ) (RESID   6 AND NAME HB1  )    3.3   1.5   1.0
ASSIGN (RESID   6 AND NAME HN   ) (RESID   6 AND NAME HB2  )    2.4   0.6   0.7
ASSIGN (RESID   6 AND NAME HN   ) (RESID   6 AND NAME HG*  )    3.3   1.5   1.0
ASSIGN (RESID   6 AND NAME HN   ) (RESID   7 AND NAME HN   )    2.5   0.7   0.7
ASSIGN (RESID   6 AND NAME HN   ) (RESID   8 AND NAME HN   )    3.9   2.1   1.2
ASSIGN (RESID   6 AND NAME HN   ) (RESID   9 AND NAME HN   )    5.0   3.2   1.5
ASSIGN (RESID   6 AND NAME HN   ) (RESID   9 AND NAME HG2* )    5.5   3.7   1.7
ASSIGN (RESID   6 AND NAME HN   ) (RESID  35 AND NAME HD1* )    5.5   3.7   1.7
ASSIGN (RESID   6 AND NAME HN   ) (RESID  35 AND NAME HD2* )    5.5   3.7   1.7
ASSIGN (RESID   6 AND NAME HA   ) (RESID   6 AND NAME HB1  )    2.8   1.0   0.8
ASSIGN (RESID   6 AND NAME HA   ) (RESID   6 AND NAME HG*  )    3.6   1.8   1.1
ASSIGN (RESID   6 AND NAME HA   ) (RESID   7 AND NAME HN   )    3.0   1.2   0.9
ASSIGN (RESID   6 AND NAME HA   ) (RESID   9 AND NAME HN   )    3.6   1.8   1.1
ASSIGN (RESID   6 AND NAME HA   ) (RESID   9 AND NAME HB   )    3.2   1.4   0.9
ASSIGN (RESID   6 AND NAME HA   ) (RESID   9 AND NAME HG2* )    4.2   2.4   1.2
ASSIGN (RESID   6 AND NAME HA   ) (RESID  35 AND NAME HD1* )    5.2   3.4   1.5
ASSIGN (RESID   6 AND NAME HB1  ) (RESID   6 AND NAME HG*  )    3.5   1.7   1.1
ASSIGN (RESID   6 AND NAME HB1  ) (RESID   7 AND NAME HG*  )    3.9   2.1   1.0
ASSIGN (RESID   6 AND NAME HB2  ) (RESID   6 AND NAME HG*  )    2.5   0.7   0.7
ASSIGN (RESID   6 AND NAME HB2  ) (RESID   7 AND NAME HN   )    2.3   0.5   0.7
ASSIGN (RESID   6 AND NAME HB2  ) (RESID   7 AND NAME HA   )    3.7   1.9   1.0
ASSIGN (RESID   6 AND NAME HB2  ) (RESID  35 AND NAME HD2* )    5.2   3.4   1.4
ASSIGN (RESID   6 AND NAME HG*  ) (RESID   7 AND NAME HN   )    5.5   3.7   1.7
ASSIGN (RESID   6 AND NAME HG*  ) (RESID  35 AND NAME HD1* )    4.9   3.1   1.5
ASSIGN (RESID   6 AND NAME HG*  ) (RESID  35 AND NAME HD2* )    5.5   3.7   1.7
ASSIGN (RESID   7 AND NAME HN   ) (RESID   7 AND NAME HD1  )    3.9   2.1   1.2
ASSIGN (RESID   7 AND NAME HN   ) (RESID   7 AND NAME HD2  )    3.9   2.1   1.2
ASSIGN (RESID   7 AND NAME HN   ) (RESID   8 AND NAME HN   )    2.4   0.6   0.7
ASSIGN (RESID   7 AND NAME HA   ) (RESID   7 AND NAME HG*  )    3.4   1.6   1.0
ASSIGN (RESID   7 AND NAME HA   ) (RESID   7 AND NAME HD1  )    4.2   2.4   1.1
ASSIGN (RESID   7 AND NAME HA   ) (RESID   7 AND NAME HE*  )    5.5   3.7   1.7
ASSIGN (RESID   7 AND NAME HA   ) (RESID   9 AND NAME HN   )    2.8   1.0   0.9
ASSIGN (RESID   7 AND NAME HA   ) (RESID  11 AND NAME HB1  )    4.5   2.7   1.3
ASSIGN (RESID   7 AND NAME HG*  ) (RESID   7 AND NAME HD1  )    2.9   1.1   0.9
ASSIGN (RESID   7 AND NAME HD1  ) (RESID   7 AND NAME HE*  )    3.6   1.8   1.1
ASSIGN (RESID   7 AND NAME HD2  ) (RESID   7 AND NAME HE*  )    3.0   1.2   0.9
ASSIGN (RESID   7 AND NAME HD2  ) (RESID  11 AND NAME HN   )    5.5   3.7   1.6
ASSIGN (RESID   8 AND NAME HN   ) (RESID   8 AND NAME HA   )    2.9   1.1   0.9
ASSIGN (RESID   8 AND NAME HN   ) (RESID   8 AND NAME HB1  )    2.2   0.4   0.6
ASSIGN (RESID   8 AND NAME HN   ) (RESID   8 AND NAME HB2  )    2.2   0.4   0.7
ASSIGN (RESID   8 AND NAME HN   ) (RESID   9 AND NAME HN   )    2.5   0.7   0.7
ASSIGN (RESID   8 AND NAME HN   ) (RESID   9 AND NAME HA   )    4.4   2.6   1.3
ASSIGN (RESID   8 AND NAME HN   ) (RESID   9 AND NAME HG2* )    5.5   3.7   1.7
ASSIGN (RESID   8 AND NAME HN   ) (RESID  39 AND NAME HG2* )    5.5   3.7   1.7
ASSIGN (RESID   8 AND NAME HA   ) (RESID   8 AND NAME HB1  )    2.7   0.9   0.7
ASSIGN (RESID   8 AND NAME HA   ) (RESID   8 AND NAME HB2  )    1.9   0.1   0.6
ASSIGN (RESID   8 AND NAME HA   ) (RESID   9 AND NAME HN   )    4.0   2.2   1.2
ASSIGN (RESID   8 AND NAME HB2  ) (RESID   8 AND NAME HG*  )    2.4   0.6   0.7
ASSIGN (RESID   8 AND NAME HB2  ) (RESID   9 AND NAME HN   )    3.6   1.8   1.0
ASSIGN (RESID   8 AND NAME HB2  ) (RESID   9 AND NAME HG2* )    5.8   4.0   1.6
ASSIGN (RESID   8 AND NAME HB2  ) (RESID  39 AND NAME HG2* )    3.7   1.9   1.1
ASSIGN (RESID   8 AND NAME HG*  ) (RESID   9 AND NAME HN   )    5.5   3.7   1.7
ASSIGN (RESID   8 AND NAME HG*  ) (RESID  11 AND NAME HB2  )    4.2   2.4   1.1
ASSIGN (RESID   8 AND NAME HG*  ) (RESID  12 AND NAME HD1* )    4.4   2.6   1.3
ASSIGN (RESID   8 AND NAME HG*  ) (RESID  39 AND NAME HB   )    3.9   2.1   1.0
ASSIGN (RESID   9 AND NAME HN   ) (RESID   9 AND NAME HA   )    2.4   0.6   0.7
ASSIGN (RESID   9 AND NAME HN   ) (RESID   9 AND NAME HB   )    2.0   0.2   0.6
ASSIGN (RESID   9 AND NAME HN   ) (RESID   9 AND NAME HG1* )    4.7   2.9   1.4
ASSIGN (RESID   9 AND NAME HN   ) (RESID   9 AND NAME HG2* )    3.3   1.5   1.0
ASSIGN (RESID   9 AND NAME HN   ) (RESID  10 AND NAME HN   )    2.5   0.7   0.8
ASSIGN (RESID   9 AND NAME HN   ) (RESID  10 AND NAME HB*  )    5.5   3.7   1.7
ASSIGN (RESID   9 AND NAME HN   ) (RESID  11 AND NAME HN   )    3.8   2.0   1.1
ASSIGN (RESID   9 AND NAME HN   ) (RESID  11 AND NAME HB1  )    3.8   2.0   1.1
ASSIGN (RESID   9 AND NAME HN   ) (RESID  39 AND NAME HG1* )    5.5   3.7   1.7
ASSIGN (RESID   9 AND NAME HN   ) (RESID  39 AND NAME HG2* )    4.6   2.8   1.4
ASSIGN (RESID   9 AND NAME HA   ) (RESID   9 AND NAME HB   )    2.8   1.0   0.8
ASSIGN (RESID   9 AND NAME HA   ) (RESID   9 AND NAME HG1* )    3.8   2.0   1.1
ASSIGN (RESID   9 AND NAME HA   ) (RESID   9 AND NAME HG2* )    3.1   1.3   0.9
ASSIGN (RESID   9 AND NAME HA   ) (RESID  10 AND NAME HN   )    3.2   1.4   1.0
ASSIGN (RESID   9 AND NAME HA   ) (RESID  11 AND NAME HN   )    4.6   2.8   1.4
ASSIGN (RESID   9 AND NAME HA   ) (RESID  12 AND NAME HN   )    3.0   1.2   0.9
ASSIGN (RESID   9 AND NAME HA   ) (RESID  12 AND NAME HB1  )    5.0   3.2   1.5
ASSIGN (RESID   9 AND NAME HA   ) (RESID  12 AND NAME HB2  )    3.8   2.0   1.0
ASSIGN (RESID   9 AND NAME HA   ) (RESID  12 AND NAME HD1* )    4.0   2.2   1.2
ASSIGN (RESID   9 AND NAME HA   ) (RESID  13 AND NAME HN   )    3.4   1.6   1.0
ASSIGN (RESID   9 AND NAME HA   ) (RESID  39 AND NAME HG2* )    4.0   2.2   1.2
ASSIGN (RESID   9 AND NAME HA   ) (RESID  42 AND NAME HD1* )    3.4   1.6   1.0
ASSIGN (RESID   9 AND NAME HA   ) (RESID  42 AND NAME HD2* )    5.5   3.7   1.7
ASSIGN (RESID   9 AND NAME HB   ) (RESID   9 AND NAME HG1* )    3.3   1.5   1.0
ASSIGN (RESID   9 AND NAME HB   ) (RESID   9 AND NAME HG2* )    3.7   1.9   1.1
ASSIGN (RESID   9 AND NAME HB   ) (RESID  10 AND NAME HN   )    2.3   0.5   0.7
ASSIGN (RESID   9 AND NAME HB   ) (RESID  38 AND NAME HE   )    3.1   1.3   0.9
ASSIGN (RESID   9 AND NAME HG1* ) (RESID   9 AND NAME HG2* )    3.4   1.6   1.0
ASSIGN (RESID   9 AND NAME HG1* ) (RESID  10 AND NAME HN   )    5.5   3.7   1.7
ASSIGN (RESID   9 AND NAME HG1* ) (RESID  13 AND NAME HN   )    4.4   2.6   1.3
ASSIGN (RESID   9 AND NAME HG1* ) (RESID  13 AND NAME HG1  )    3.9   2.1   1.1
ASSIGN (RESID   9 AND NAME HG1* ) (RESID  13 AND NAME HG2  )    4.8   3.0   1.4
ASSIGN (RESID   9 AND NAME HG1* ) (RESID  38 AND NAME HD1  )    4.2   2.4   1.2
ASSIGN (RESID   9 AND NAME HG2* ) (RESID  10 AND NAME HN   )    4.1   2.3   1.2
ASSIGN (RESID   9 AND NAME HG2* ) (RESID  12 AND NAME HN   )    5.3   3.6   1.5
ASSIGN (RESID   9 AND NAME HG2* ) (RESID  35 AND NAME HA   )    5.0   3.2   1.5
ASSIGN (RESID   9 AND NAME HG2* ) (RESID  35 AND NAME HB2  )    4.5   2.7   1.2
ASSIGN (RESID   9 AND NAME HG2* ) (RESID  38 AND NAME HG1  )    4.2   2.4   1.3
ASSIGN (RESID   9 AND NAME HG2* ) (RESID  38 AND NAME HG2  )    5.5   3.7   1.7
ASSIGN (RESID   9 AND NAME HG2* ) (RESID  38 AND NAME HD1  )    4.6   2.8   1.4
ASSIGN (RESID   9 AND NAME HG2* ) (RESID  39 AND NAME HN   )    4.8   3.0   1.4
ASSIGN (RESID   9 AND NAME HG2* ) (RESID  39 AND NAME HA   )    4.1   2.3   1.2
ASSIGN (RESID   9 AND NAME HG2* ) (RESID  39 AND NAME HG2* )    2.7   0.9   0.8
ASSIGN (RESID   9 AND NAME HG2* ) (RESID  42 AND NAME HD2* )    4.8   3.0   1.3
ASSIGN (RESID  10 AND NAME HN   ) (RESID  10 AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID  10 AND NAME HN   ) (RESID  10 AND NAME HB*  )    3.2   1.4   1.0
ASSIGN (RESID  10 AND NAME HN   ) (RESID  11 AND NAME HN   )    2.4   0.6   0.7
ASSIGN (RESID  10 AND NAME HN   ) (RESID  11 AND NAME HB1  )    4.1   2.3   1.1
ASSIGN (RESID  10 AND NAME HN   ) (RESID  12 AND NAME HN   )    4.1   2.3   1.2
ASSIGN (RESID  10 AND NAME HN   ) (RESID  13 AND NAME HN   )    4.5   2.7   1.3
ASSIGN (RESID  10 AND NAME HA   ) (RESID  11 AND NAME HN   )    3.0   1.2   0.9
ASSIGN (RESID  10 AND NAME HA   ) (RESID  13 AND NAME HN   )    3.6   1.8   1.0
ASSIGN (RESID  10 AND NAME HA   ) (RESID  13 AND NAME HG2  )    4.2   2.4   1.2
ASSIGN (RESID  10 AND NAME HA   ) (RESID  14 AND NAME HN   )    4.4   2.6   1.3
ASSIGN (RESID  10 AND NAME HB*  ) (RESID  11 AND NAME HN   )    3.9   2.1   1.2
ASSIGN (RESID  10 AND NAME HB*  ) (RESID  11 AND NAME HB1  )    4.6   2.8   1.4
ASSIGN (RESID  10 AND NAME HB*  ) (RESID  12 AND NAME HN   )    5.5   3.7   1.7
ASSIGN (RESID  10 AND NAME HB*  ) (RESID  13 AND NAME HN   )    4.9   3.1   1.5
ASSIGN (RESID  10 AND NAME HB*  ) (RESID  14 AND NAME HN   )    5.5   3.7   1.7
ASSIGN (RESID  11 AND NAME HN   ) (RESID  11 AND NAME HA   )    2.9   1.1   0.9
ASSIGN (RESID  11 AND NAME HN   ) (RESID  11 AND NAME HB2  )    2.4   0.6   0.7
ASSIGN (RESID  11 AND NAME HN   ) (RESID  11 AND NAME HG1  )    4.2   2.4   1.3
ASSIGN (RESID  11 AND NAME HN   ) (RESID  11 AND NAME HG2  )    3.8   2.0   1.1
ASSIGN (RESID  11 AND NAME HN   ) (RESID  12 AND NAME HN   )    2.5   0.7   0.8
ASSIGN (RESID  11 AND NAME HN   ) (RESID  13 AND NAME HN   )    4.2   2.4   1.2
ASSIGN (RESID  11 AND NAME HA   ) (RESID  11 AND NAME HB1  )    3.1   1.3   0.9
ASSIGN (RESID  11 AND NAME HA   ) (RESID  11 AND NAME HB2  )    2.8   1.0   0.8
ASSIGN (RESID  11 AND NAME HA   ) (RESID  11 AND NAME HG1  )    3.1   1.3   0.9
ASSIGN (RESID  11 AND NAME HA   ) (RESID  11 AND NAME HG2  )    3.2   1.4   0.9
ASSIGN (RESID  11 AND NAME HA   ) (RESID  14 AND NAME HN   )    4.2   2.4   1.2
ASSIGN (RESID  11 AND NAME HB1  ) (RESID  11 AND NAME HG1  )    2.3   0.5   0.6
ASSIGN (RESID  11 AND NAME HB1  ) (RESID  12 AND NAME HN   )    3.0   1.2   0.9
ASSIGN (RESID  11 AND NAME HB1  ) (RESID  12 AND NAME HD1* )    4.2   2.4   1.3
ASSIGN (RESID  11 AND NAME HB1  ) (RESID  14 AND NAME HB*  )    5.8   4.0   1.6
ASSIGN (RESID  11 AND NAME HB2  ) (RESID  12 AND NAME HN   )    3.0   1.2   0.9
ASSIGN (RESID  11 AND NAME HG1  ) (RESID  12 AND NAME HN   )    5.0   3.2   1.5
ASSIGN (RESID  12 AND NAME HN   ) (RESID  12 AND NAME HA   )    3.2   1.4   1.0
ASSIGN (RESID  12 AND NAME HN   ) (RESID  12 AND NAME HB1  )    2.9   1.1   0.9
ASSIGN (RESID  12 AND NAME HN   ) (RESID  12 AND NAME HB2  )    2.4   0.6   0.7
ASSIGN (RESID  12 AND NAME HN   ) (RESID  12 AND NAME HD1* )    4.2   2.4   1.3
ASSIGN (RESID  12 AND NAME HN   ) (RESID  12 AND NAME HD2* )    4.2   2.4   1.2
ASSIGN (RESID  12 AND NAME HN   ) (RESID  13 AND NAME HN   )    2.6   0.8   0.8
ASSIGN (RESID  12 AND NAME HN   ) (RESID  14 AND NAME HN   )    4.5   2.7   1.4
ASSIGN (RESID  12 AND NAME HN   ) (RESID  39 AND NAME HG2* )    5.2   3.4   1.5
ASSIGN (RESID  12 AND NAME HN   ) (RESID  42 AND NAME HD1* )    5.5   3.7   1.7
ASSIGN (RESID  12 AND NAME HN   ) (RESID  43 AND NAME HB1  )    4.7   2.9   1.2
ASSIGN (RESID  12 AND NAME HA   ) (RESID  12 AND NAME HB1  )    2.8   1.0   0.8
ASSIGN (RESID  12 AND NAME HA   ) (RESID  12 AND NAME HB2  )    3.5   1.7   1.1
ASSIGN (RESID  12 AND NAME HA   ) (RESID  12 AND NAME HD1* )    4.4   2.6   1.3
ASSIGN (RESID  12 AND NAME HA   ) (RESID  12 AND NAME HD2* )    3.6   1.8   1.1
ASSIGN (RESID  12 AND NAME HA   ) (RESID  13 AND NAME HN   )    3.5   1.7   1.1
ASSIGN (RESID  12 AND NAME HA   ) (RESID  15 AND NAME HN   )    5.0   3.2   1.5
ASSIGN (RESID  12 AND NAME HA   ) (RESID  16 AND NAME HN   )    3.5   1.7   1.0
ASSIGN (RESID  12 AND NAME HA   ) (RESID  43 AND NAME HB1  )    4.0   2.4   1.2
ASSIGN (RESID  12 AND NAME HB1  ) (RESID  12 AND NAME HD1* )    3.1   1.3   0.9
ASSIGN (RESID  12 AND NAME HB1  ) (RESID  12 AND NAME HD2* )    4.3   2.5   1.3
ASSIGN (RESID  12 AND NAME HB1  ) (RESID  13 AND NAME HN   )    3.2   1.4   1.0
ASSIGN (RESID  12 AND NAME HB1  ) (RESID  16 AND NAME HD21 )    3.9   2.1   1.2
ASSIGN (RESID  12 AND NAME HB1  ) (RESID  16 AND NAME HD22 )    4.5   2.7   1.3
ASSIGN (RESID  12 AND NAME HB1  ) (RESID  42 AND NAME HB2  )    2.2   0.4   0.6
ASSIGN (RESID  12 AND NAME HB1  ) (RESID  42 AND NAME HD1* )    3.7   1.9   1.1
ASSIGN (RESID  12 AND NAME HB1  ) (RESID  43 AND NAME HB1  )    3.7   1.9   1.1
ASSIGN (RESID  12 AND NAME HB2  ) (RESID  12 AND NAME HD1* )    2.9   1.1   0.9
ASSIGN (RESID  12 AND NAME HB2  ) (RESID  12 AND NAME HD2* )    3.7   1.9   1.1
ASSIGN (RESID  12 AND NAME HB2  ) (RESID  13 AND NAME HN   )    2.9   1.1   0.9
ASSIGN (RESID  12 AND NAME HB2  ) (RESID  15 AND NAME HN   )    4.3   2.5   1.1
ASSIGN (RESID  12 AND NAME HB2  ) (RESID  16 AND NAME HB1  )    3.8   2.0   1.1
ASSIGN (RESID  12 AND NAME HB2  ) (RESID  42 AND NAME HN   )    4.2   2.4   1.1
ASSIGN (RESID  12 AND NAME HB2  ) (RESID  42 AND NAME HB1  )    1.9   0.1   0.6
ASSIGN (RESID  12 AND NAME HB2  ) (RESID  42 AND NAME HD1* )    3.7   1.9   1.1
ASSIGN (RESID  12 AND NAME HD1* ) (RESID  12 AND NAME HD2* )    2.8   1.0   0.8
ASSIGN (RESID  12 AND NAME HD1* ) (RESID  13 AND NAME HN   )    4.4   2.6   1.3
ASSIGN (RESID  12 AND NAME HD1* ) (RESID  16 AND NAME HN   )    5.3   3.5   1.5
ASSIGN (RESID  12 AND NAME HD1* ) (RESID  16 AND NAME HB1  )    5.1   3.3   1.4
ASSIGN (RESID  12 AND NAME HD1* ) (RESID  16 AND NAME HD21 )    4.9   3.1   1.5
ASSIGN (RESID  12 AND NAME HD1* ) (RESID  39 AND NAME HA   )    4.6   2.8   1.4
ASSIGN (RESID  12 AND NAME HD1* ) (RESID  42 AND NAME HB1  )    3.7   1.9   1.1
ASSIGN (RESID  12 AND NAME HD1* ) (RESID  43 AND NAME HN   )    4.6   2.8   1.4
ASSIGN (RESID  12 AND NAME HD1* ) (RESID  43 AND NAME HA   )    4.6   2.8   1.4
ASSIGN (RESID  12 AND NAME HD1* ) (RESID  43 AND NAME HB1  )    3.9   2.1   1.2
ASSIGN (RESID  12 AND NAME HD1* ) (RESID  43 AND NAME HG*  )    5.5   3.7   1.7
ASSIGN (RESID  12 AND NAME HD1* ) (RESID  43 AND NAME HD1  )    4.0   2.2   1.2
ASSIGN (RESID  12 AND NAME HD1* ) (RESID  43 AND NAME HD2  )    4.9   3.1   1.5
ASSIGN (RESID  12 AND NAME HD1* ) (RESID  43 AND NAME HE1  )    5.5   3.7   1.7
ASSIGN (RESID  12 AND NAME HD1* ) (RESID  43 AND NAME HE2  )    4.4   2.6   1.3
ASSIGN (RESID  12 AND NAME HD1* ) (RESID  46 AND NAME HN   )    5.5   3.7   1.7
ASSIGN (RESID  12 AND NAME HD2* ) (RESID  16 AND NAME HN   )    5.3   3.5   1.6
ASSIGN (RESID  12 AND NAME HD2* ) (RESID  16 AND NAME HD21 )    5.5   3.7   1.6
ASSIGN (RESID  12 AND NAME HD2* ) (RESID  42 AND NAME HB1  )    4.7   2.9   1.3
ASSIGN (RESID  12 AND NAME HD2* ) (RESID  42 AND NAME HB2  )    3.6   1.8   1.0
ASSIGN (RESID  12 AND NAME HD2* ) (RESID  43 AND NAME HN   )    5.5   3.7   1.7
ASSIGN (RESID  12 AND NAME HD2* ) (RESID  43 AND NAME HA   )    4.4   2.6   1.3
ASSIGN (RESID  12 AND NAME HD2* ) (RESID  43 AND NAME HB1  )    3.1   1.3   0.9
ASSIGN (RESID  12 AND NAME HD2* ) (RESID  46 AND NAME HN   )    5.2   3.4   1.5
ASSIGN (RESID  12 AND NAME HD2* ) (RESID  46 AND NAME HB1  )    4.1   2.3   1.2
ASSIGN (RESID  12 AND NAME HD2* ) (RESID  46 AND NAME HD21 )    4.1   2.3   1.2
ASSIGN (RESID  12 AND NAME HD2* ) (RESID  46 AND NAME HD22 )    4.2   2.4   1.3
ASSIGN (RESID  13 AND NAME HN   ) (RESID  13 AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID  13 AND NAME HN   ) (RESID  13 AND NAME HB2  )    3.1   1.3   0.9
ASSIGN (RESID  13 AND NAME HN   ) (RESID  13 AND NAME HG1  )    2.1   0.3   0.9
ASSIGN (RESID  13 AND NAME HN   ) (RESID  13 AND NAME HG2  )    3.2   1.4   0.9
ASSIGN (RESID  13 AND NAME HN   ) (RESID  14 AND NAME HN   )    2.5   0.7   0.8
ASSIGN (RESID  13 AND NAME HN   ) (RESID  14 AND NAME HA   )    5.0   3.2   1.5
ASSIGN (RESID  13 AND NAME HN   ) (RESID  14 AND NAME HB*  )    5.5   3.7   1.7
ASSIGN (RESID  13 AND NAME HN   ) (RESID  15 AND NAME HN   )    4.2   2.4   1.2
ASSIGN (RESID  13 AND NAME HN   ) (RESID  42 AND NAME HB1  )    4.0   2.2   1.2
ASSIGN (RESID  13 AND NAME HN   ) (RESID  42 AND NAME HD1* )    4.6   2.8   1.4
ASSIGN (RESID  13 AND NAME HN   ) (RESID  42 AND NAME HD2* )    5.5   3.7   1.7
ASSIGN (RESID  13 AND NAME HA   ) (RESID  13 AND NAME HB1  )    2.3   0.5   0.7
ASSIGN (RESID  13 AND NAME HA   ) (RESID  13 AND NAME HG2  )    4.6   2.8   1.4
ASSIGN (RESID  13 AND NAME HA   ) (RESID  14 AND NAME HN   )    4.7   2.9   1.4
ASSIGN (RESID  13 AND NAME HA   ) (RESID  16 AND NAME HN   )    3.4   1.6   1.0
ASSIGN (RESID  13 AND NAME HA   ) (RESID  16 AND NAME HB1  )    2.9   1.1   0.9
ASSIGN (RESID  13 AND NAME HA   ) (RESID  16 AND NAME HB2  )    3.5   1.7   1.0
ASSIGN (RESID  13 AND NAME HA   ) (RESID  17 AND NAME HN   )    3.1   1.3   0.9
ASSIGN (RESID  13 AND NAME HB1  ) (RESID  42 AND NAME HD2* )    4.4   2.6   1.2
ASSIGN (RESID  13 AND NAME HB2  ) (RESID  14 AND NAME HN   )    2.7   0.9   0.8
ASSIGN (RESID  13 AND NAME HB2  ) (RESID  14 AND NAME HB*  )    5.5   3.7   1.7
ASSIGN (RESID  13 AND NAME HG1  ) (RESID  14 AND NAME HN   )    4.0   2.2   1.1
ASSIGN (RESID  13 AND NAME HG1  ) (RESID  42 AND NAME HA   )    4.5   2.7   1.1
ASSIGN (RESID  13 AND NAME HG2  ) (RESID  42 AND NAME HD1* )    3.8   2.0   1.1
ASSIGN (RESID  13 AND NAME HG2  ) (RESID  42 AND NAME HD2* )    4.8   3.0   1.4
ASSIGN (RESID  14 AND NAME HN   ) (RESID  14 AND NAME HA   )    5.0   3.2   1.5
ASSIGN (RESID  14 AND NAME HN   ) (RESID  14 AND NAME HB*  )    3.3   1.5   1.0
ASSIGN (RESID  14 AND NAME HN   ) (RESID  15 AND NAME HN   )    2.4   0.6   0.7
ASSIGN (RESID  14 AND NAME HA   ) (RESID  14 AND NAME HB*  )    5.5   3.7   1.7
ASSIGN (RESID  14 AND NAME HA   ) (RESID  15 AND NAME HN   )    4.4   2.6   1.3
ASSIGN (RESID  14 AND NAME HA   ) (RESID  16 AND NAME HN   )    4.5   2.7   1.3
ASSIGN (RESID  14 AND NAME HA   ) (RESID  17 AND NAME HN   )    3.3   1.5   1.0
ASSIGN (RESID  14 AND NAME HA   ) (RESID  17 AND NAME HB1  )    3.0   1.2   0.8
ASSIGN (RESID  14 AND NAME HB*  ) (RESID  15 AND NAME HN   )    3.8   2.0   1.1
ASSIGN (RESID  14 AND NAME HB*  ) (RESID  16 AND NAME HN   )    5.5   3.7   1.7
ASSIGN (RESID  15 AND NAME HN   ) (RESID  15 AND NAME HA   )    3.2   1.4   1.0
ASSIGN (RESID  15 AND NAME HN   ) (RESID  15 AND NAME HB1  )    2.2   0.4   0.6
ASSIGN (RESID  15 AND NAME HN   ) (RESID  15 AND NAME HB2  )    2.3   0.5   0.7
ASSIGN (RESID  15 AND NAME HN   ) (RESID  15 AND NAME HG*  )    4.0   2.2   1.2
ASSIGN (RESID  15 AND NAME HN   ) (RESID  16 AND NAME HN   )    2.7   0.9   0.8
ASSIGN (RESID  15 AND NAME HN   ) (RESID  17 AND NAME HN   )    3.1   1.3   0.9
ASSIGN (RESID  15 AND NAME HA   ) (RESID  15 AND NAME HG*  )    3.8   2.0   1.2
ASSIGN (RESID  15 AND NAME HA   ) (RESID  16 AND NAME HN   )    3.2   1.4   1.0
ASSIGN (RESID  15 AND NAME HA   ) (RESID  16 AND NAME HA   )    3.8   2.0   1.1
ASSIGN (RESID  15 AND NAME HA   ) (RESID  18 AND NAME HN   )    2.7   0.9   0.8
ASSIGN (RESID  15 AND NAME HA   ) (RESID  18 AND NAME HB*  )    3.9   2.1   1.2
ASSIGN (RESID  15 AND NAME HA   ) (RESID  19 AND NAME HN   )    4.6   2.8   1.4
ASSIGN (RESID  15 AND NAME HB1  ) (RESID  15 AND NAME HG*  )    3.1   1.3   0.9
ASSIGN (RESID  15 AND NAME HB1  ) (RESID  16 AND NAME HN   )    3.5   1.7   1.0
ASSIGN (RESID  15 AND NAME HB2  ) (RESID  16 AND NAME HN   )    2.9   1.1   0.9
ASSIGN (RESID  16 AND NAME HN   ) (RESID  16 AND NAME HA   )    2.6   0.8   0.8
ASSIGN (RESID  16 AND NAME HN   ) (RESID  16 AND NAME HB1  )    3.0   1.2   0.9
ASSIGN (RESID  16 AND NAME HN   ) (RESID  16 AND NAME HB2  )    2.5   0.7   0.7
ASSIGN (RESID  16 AND NAME HN   ) (RESID  16 AND NAME HD21 )    4.0   2.2   1.2
ASSIGN (RESID  16 AND NAME HN   ) (RESID  16 AND NAME HD22 )    4.7   2.9   1.4
ASSIGN (RESID  16 AND NAME HN   ) (RESID  17 AND NAME HN   )    2.7   0.9   0.8
ASSIGN (RESID  16 AND NAME HN   ) (RESID  19 AND NAME HN   )    4.5   2.7   1.3
ASSIGN (RESID  16 AND NAME HN   ) (RESID  42 AND NAME HB2  )    4.3   2.5   1.1
ASSIGN (RESID  16 AND NAME HN   ) (RESID  46 AND NAME HD21 )    3.9   2.1   1.1
ASSIGN (RESID  16 AND NAME HN   ) (RESID  46 AND NAME HD22 )    3.2   1.4   1.0
ASSIGN (RESID  16 AND NAME HA   ) (RESID  16 AND NAME HB1  )    2.4   0.6   0.7
ASSIGN (RESID  16 AND NAME HA   ) (RESID  16 AND NAME HB2  )    2.5   0.7   0.8
ASSIGN (RESID  16 AND NAME HA   ) (RESID  16 AND NAME HD21 )    4.0   2.2   1.2
ASSIGN (RESID  16 AND NAME HA   ) (RESID  16 AND NAME HD22 )    4.1   2.3   1.2
ASSIGN (RESID  16 AND NAME HA   ) (RESID  17 AND NAME HN   )    3.6   1.8   1.1
ASSIGN (RESID  16 AND NAME HA   ) (RESID  19 AND NAME HN   )    3.5   1.7   1.0
ASSIGN (RESID  16 AND NAME HA   ) (RESID  19 AND NAME HB1  )    4.0   2.2   1.1
ASSIGN (RESID  16 AND NAME HA   ) (RESID  19 AND NAME HB2  )    2.8   1.0   0.8
ASSIGN (RESID  16 AND NAME HA   ) (RESID  20 AND NAME HN   )    4.8   3.0   1.4
ASSIGN (RESID  16 AND NAME HA   ) (RESID  20 AND NAME HB2  )    3.7   1.9   1.1
ASSIGN (RESID  16 AND NAME HA   ) (RESID  46 AND NAME HD21 )    3.6   1.8   1.1
ASSIGN (RESID  16 AND NAME HA   ) (RESID  46 AND NAME HD22 )    5.0   3.2   1.5
ASSIGN (RESID  16 AND NAME HA   ) (RESID  49 AND NAME HD1* )    4.6   2.8   1.4
ASSIGN (RESID  16 AND NAME HB1  ) (RESID  16 AND NAME HD21 )    2.5   0.7   0.7
ASSIGN (RESID  16 AND NAME HB1  ) (RESID  16 AND NAME HD22 )    3.2   1.4   1.0
ASSIGN (RESID  16 AND NAME HB1  ) (RESID  17 AND NAME HN   )    3.3   1.5   1.0
ASSIGN (RESID  16 AND NAME HB2  ) (RESID  16 AND NAME HD21 )    2.5   0.7   0.7
ASSIGN (RESID  16 AND NAME HB2  ) (RESID  16 AND NAME HD22 )    3.8   2.0   1.1
ASSIGN (RESID  16 AND NAME HB2  ) (RESID  17 AND NAME HN   )    3.6   1.8   1.0
ASSIGN (RESID  16 AND NAME HB2  ) (RESID  42 AND NAME HA   )    3.8   2.0   1.1
ASSIGN (RESID  16 AND NAME HB2  ) (RESID  42 AND NAME HB2  )    3.6   1.8   1.1
ASSIGN (RESID  16 AND NAME HD21 ) (RESID  42 AND NAME HA   )    3.8   2.0   1.1
ASSIGN (RESID  16 AND NAME HD21 ) (RESID  42 AND NAME HB1  )    3.5   1.7   1.0
ASSIGN (RESID  16 AND NAME HD21 ) (RESID  42 AND NAME HB2  )    2.9   1.1   0.9
ASSIGN (RESID  16 AND NAME HD21 ) (RESID  42 AND NAME HD1* )    4.5   2.7   1.4
ASSIGN (RESID  16 AND NAME HD21 ) (RESID  42 AND NAME HD2* )    5.5   3.7   1.6
ASSIGN (RESID  16 AND NAME HD21 ) (RESID  45 AND NAME HB*  )    4.9   3.1   1.5
ASSIGN (RESID  16 AND NAME HD21 ) (RESID  45 AND NAME HG*  )    5.3   3.5   1.6
ASSIGN (RESID  16 AND NAME HD21 ) (RESID  46 AND NAME HN   )    4.6   2.8   1.4
ASSIGN (RESID  16 AND NAME HD21 ) (RESID  46 AND NAME HB2  )    3.5   1.7   1.1
ASSIGN (RESID  16 AND NAME HD22 ) (RESID  42 AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID  16 AND NAME HD22 ) (RESID  42 AND NAME HB1  )    3.4   1.6   1.0
ASSIGN (RESID  16 AND NAME HD22 ) (RESID  42 AND NAME HB2  )    5.0   3.2   1.5
ASSIGN (RESID  16 AND NAME HD22 ) (RESID  42 AND NAME HD1* )    5.6   3.8   1.6
ASSIGN (RESID  16 AND NAME HD22 ) (RESID  42 AND NAME HD2* )    4.7   2.9   1.4
ASSIGN (RESID  16 AND NAME HD22 ) (RESID  45 AND NAME HN   )    4.0   2.2   1.2
ASSIGN (RESID  16 AND NAME HD22 ) (RESID  45 AND NAME HB*  )    3.7   1.9   1.1
ASSIGN (RESID  16 AND NAME HD22 ) (RESID  45 AND NAME HG*  )    4.3   2.5   1.3
ASSIGN (RESID  16 AND NAME HD22 ) (RESID  46 AND NAME HN   )    3.6   1.8   1.0
ASSIGN (RESID  16 AND NAME HD22 ) (RESID  46 AND NAME HA   )    4.5   2.7   1.3
ASSIGN (RESID  16 AND NAME HD22 ) (RESID  46 AND NAME HB1  )    3.8   2.0   1.2
ASSIGN (RESID  16 AND NAME HD22 ) (RESID  46 AND NAME HB2  )    3.5   1.7   1.0
ASSIGN (RESID  16 AND NAME HD22 ) (RESID  46 AND NAME HD21 )    5.0   3.2   1.5
ASSIGN (RESID  16 AND NAME HD22 ) (RESID  49 AND NAME HD1* )    5.1   3.3   1.5
ASSIGN (RESID  17 AND NAME HN   ) (RESID  17 AND NAME HA   )    2.6   0.8   0.8
ASSIGN (RESID  17 AND NAME HN   ) (RESID  17 AND NAME HB1  )    2.5   0.7   0.8
ASSIGN (RESID  17 AND NAME HN   ) (RESID  17 AND NAME HB2  )    2.6   0.8   0.8
ASSIGN (RESID  17 AND NAME HN   ) (RESID  17 AND NAME HD*  )    4.3   2.5   1.3
ASSIGN (RESID  17 AND NAME HN   ) (RESID  18 AND NAME HN   )    2.5   0.7   0.8
ASSIGN (RESID  17 AND NAME HN   ) (RESID  19 AND NAME HN   )    3.5   1.7   1.0
ASSIGN (RESID  17 AND NAME HA   ) (RESID  17 AND NAME HB1  )    2.6   0.8   0.8
ASSIGN (RESID  17 AND NAME HA   ) (RESID  17 AND NAME HB2  )    2.3   0.5   0.7
ASSIGN (RESID  17 AND NAME HA   ) (RESID  17 AND NAME HD*  )    3.3   1.5   1.0
ASSIGN (RESID  17 AND NAME HA   ) (RESID  17 AND NAME HE*  )    4.3   2.5   1.3
ASSIGN (RESID  17 AND NAME HA   ) (RESID  18 AND NAME HN   )    3.3   1.5   1.0
ASSIGN (RESID  17 AND NAME HA   ) (RESID  20 AND NAME HN   )    3.3   1.5   1.0
ASSIGN (RESID  17 AND NAME HA   ) (RESID  20 AND NAME HB1  )    3.3   1.5   1.0
ASSIGN (RESID  17 AND NAME HA   ) (RESID  20 AND NAME HB2  )    3.2   1.4   0.9
ASSIGN (RESID  17 AND NAME HA   ) (RESID  20 AND NAME HG*  )    4.5   2.7   1.3
ASSIGN (RESID  17 AND NAME HA   ) (RESID  21 AND NAME HN   )    3.7   1.9   1.1
ASSIGN (RESID  17 AND NAME HB1  ) (RESID  17 AND NAME HD*  )    3.3   1.5   1.0
ASSIGN (RESID  17 AND NAME HB1  ) (RESID  17 AND NAME HE*  )    4.6   2.8   1.4
ASSIGN (RESID  17 AND NAME HB1  ) (RESID  18 AND NAME HN   )    2.7   0.9   0.8
ASSIGN (RESID  17 AND NAME HB1  ) (RESID  20 AND NAME HB1  )    4.9   3.1   1.4
ASSIGN (RESID  17 AND NAME HB2  ) (RESID  17 AND NAME HD*  )    3.3   1.5   1.0
ASSIGN (RESID  17 AND NAME HB2  ) (RESID  17 AND NAME HE*  )    5.5   3.7   1.7
ASSIGN (RESID  17 AND NAME HB2  ) (RESID  18 AND NAME HN   )    3.7   1.9   1.1
ASSIGN (RESID  17 AND NAME HD*  ) (RESID  18 AND NAME HN   )    5.0   3.2   1.5
ASSIGN (RESID  17 AND NAME HD*  ) (RESID  18 AND NAME HA   )    4.2   2.4   1.3
ASSIGN (RESID  17 AND NAME HD*  ) (RESID  18 AND NAME HB*  )    4.8   3.0   1.4
ASSIGN (RESID  17 AND NAME HD*  ) (RESID  18 AND NAME HG1  )    5.5   3.7   1.7
ASSIGN (RESID  17 AND NAME HD*  ) (RESID  20 AND NAME HB2  )    5.5   3.7   1.7
ASSIGN (RESID  17 AND NAME HD*  ) (RESID  21 AND NAME HB1  )    5.0   3.2   1.5
ASSIGN (RESID  17 AND NAME HE*  ) (RESID  18 AND NAME HA   )    4.2   2.4   1.2
ASSIGN (RESID  17 AND NAME HE*  ) (RESID  21 AND NAME HB1  )    4.6   2.8   1.4
ASSIGN (RESID  18 AND NAME HN   ) (RESID  18 AND NAME HA   )    2.9   1.1   0.9
ASSIGN (RESID  18 AND NAME HN   ) (RESID  18 AND NAME HB*  )    3.1   1.3   0.9
ASSIGN (RESID  18 AND NAME HN   ) (RESID  18 AND NAME HG1  )    3.5   1.7   1.1
ASSIGN (RESID  18 AND NAME HN   ) (RESID  18 AND NAME HG2  )    5.0   3.2   1.5
ASSIGN (RESID  18 AND NAME HN   ) (RESID  19 AND NAME HN   )    2.5   0.7   0.8
ASSIGN (RESID  18 AND NAME HN   ) (RESID  19 AND NAME HD2* )    5.1   3.3   1.5
ASSIGN (RESID  18 AND NAME HN   ) (RESID  20 AND NAME HN   )    4.8   3.0   1.4
ASSIGN (RESID  18 AND NAME HA   ) (RESID  18 AND NAME HB*  )    3.1   1.3   0.9
ASSIGN (RESID  18 AND NAME HA   ) (RESID  18 AND NAME HG1  )    2.9   1.1   0.9
ASSIGN (RESID  18 AND NAME HA   ) (RESID  18 AND NAME HG2  )    3.6   1.8   1.1
ASSIGN (RESID  18 AND NAME HA   ) (RESID  19 AND NAME HN   )    3.7   1.9   1.1
ASSIGN (RESID  18 AND NAME HA   ) (RESID  21 AND NAME HN   )    3.4   1.6   1.0
ASSIGN (RESID  18 AND NAME HA   ) (RESID  21 AND NAME HB1  )    3.5   1.7   1.0
ASSIGN (RESID  18 AND NAME HB*  ) (RESID  18 AND NAME HG1  )    3.4   1.6   1.0
ASSIGN (RESID  18 AND NAME HB*  ) (RESID  19 AND NAME HN   )    3.4   1.6   1.0
ASSIGN (RESID  19 AND NAME HN   ) (RESID  19 AND NAME HA   )    4.4   2.6   1.3
ASSIGN (RESID  19 AND NAME HN   ) (RESID  19 AND NAME HB1  )    3.3   1.5   1.0
ASSIGN (RESID  19 AND NAME HN   ) (RESID  19 AND NAME HB2  )    2.4   0.6   0.7
ASSIGN (RESID  19 AND NAME HN   ) (RESID  19 AND NAME HD2* )    4.8   3.0   1.4
ASSIGN (RESID  19 AND NAME HN   ) (RESID  20 AND NAME HN   )    3.3   1.5   1.0
ASSIGN (RESID  19 AND NAME HN   ) (RESID  20 AND NAME HA   )    4.0   2.2   1.2
ASSIGN (RESID  19 AND NAME HN   ) (RESID  21 AND NAME HN   )    3.8   2.0   1.2
ASSIGN (RESID  19 AND NAME HN   ) (RESID  21 AND NAME HB1  )    4.8   3.0   1.2
ASSIGN (RESID  19 AND NAME HN   ) (RESID  23 AND NAME HG2* )    4.5   2.7   1.2
ASSIGN (RESID  19 AND NAME HA   ) (RESID  19 AND NAME HB1  )    2.5   0.7   0.7
ASSIGN (RESID  19 AND NAME HA   ) (RESID  19 AND NAME HB2  )    2.3   0.5   0.7
ASSIGN (RESID  19 AND NAME HA   ) (RESID  20 AND NAME HN   )    4.5   2.7   1.3
ASSIGN (RESID  19 AND NAME HA   ) (RESID  20 AND NAME HA   )    3.9   2.1   1.1
ASSIGN (RESID  19 AND NAME HA   ) (RESID  22 AND NAME HN   )    4.0   2.2   1.2
ASSIGN (RESID  19 AND NAME HA   ) (RESID  22 AND NAME HG*  )    4.9   3.1   1.5
ASSIGN (RESID  19 AND NAME HA   ) (RESID  23 AND NAME HN   )    3.1   1.3   0.9
ASSIGN (RESID  19 AND NAME HA   ) (RESID  53 AND NAME HG1* )    4.2   2.4   1.2
ASSIGN (RESID  19 AND NAME HB1  ) (RESID  20 AND NAME HN   )    3.1   1.3   0.9
ASSIGN (RESID  19 AND NAME HB2  ) (RESID  19 AND NAME HD2* )    3.0   1.2   0.9
ASSIGN (RESID  19 AND NAME HB2  ) (RESID  21 AND NAME HN   )    3.9   2.1   1.1
ASSIGN (RESID  19 AND NAME HB2  ) (RESID  22 AND NAME HN   )    4.1   2.3   1.0
ASSIGN (RESID  19 AND NAME HB2  ) (RESID  49 AND NAME HA   )    5.1   3.3   1.4
ASSIGN (RESID  19 AND NAME HD1* ) (RESID  50 AND NAME HN   )    4.9   3.1   1.5
ASSIGN (RESID  19 AND NAME HD1* ) (RESID  50 AND NAME HA   )    3.8   2.0   1.1
ASSIGN (RESID  19 AND NAME HD2* ) (RESID  20 AND NAME HN   )    5.2   3.4   1.5
ASSIGN (RESID  19 AND NAME HD2* ) (RESID  22 AND NAME HN   )    5.1   3.3   1.5
ASSIGN (RESID  19 AND NAME HD2* ) (RESID  50 AND NAME HA   )    4.4   2.6   1.3
ASSIGN (RESID  19 AND NAME HD2* ) (RESID  53 AND NAME HG2* )    2.9   1.1   0.8
ASSIGN (RESID  20 AND NAME HN   ) (RESID  20 AND NAME HA   )    2.7   0.9   0.8
ASSIGN (RESID  20 AND NAME HN   ) (RESID  20 AND NAME HB1  )    2.9   1.1   0.9
ASSIGN (RESID  20 AND NAME HN   ) (RESID  20 AND NAME HB2  )    2.3   0.5   0.7
ASSIGN (RESID  20 AND NAME HN   ) (RESID  20 AND NAME HG*  )    3.4   1.6   1.0
ASSIGN (RESID  20 AND NAME HN   ) (RESID  21 AND NAME HN   )    2.6   0.8   0.8
ASSIGN (RESID  20 AND NAME HN   ) (RESID  22 AND NAME HN   )    3.4   1.6   1.0
ASSIGN (RESID  20 AND NAME HN   ) (RESID  49 AND NAME HD1* )    4.2   2.4   1.3
ASSIGN (RESID  20 AND NAME HN   ) (RESID  49 AND NAME HD2* )    5.4   3.6   1.6
ASSIGN (RESID  20 AND NAME HA   ) (RESID  20 AND NAME HB1  )    2.8   1.0   0.8
ASSIGN (RESID  20 AND NAME HA   ) (RESID  20 AND NAME HB2  )    2.4   0.6   0.7
ASSIGN (RESID  20 AND NAME HA   ) (RESID  20 AND NAME HG*  )    4.0   2.2   1.2
ASSIGN (RESID  20 AND NAME HA   ) (RESID  21 AND NAME HN   )    4.7   2.9   1.4
ASSIGN (RESID  20 AND NAME HA   ) (RESID  22 AND NAME HN   )    5.0   3.2   1.5
ASSIGN (RESID  20 AND NAME HA   ) (RESID  23 AND NAME HN   )    3.7   1.9   1.1
ASSIGN (RESID  20 AND NAME HA   ) (RESID  23 AND NAME HA   )    4.6   2.8   1.3
ASSIGN (RESID  20 AND NAME HA   ) (RESID  23 AND NAME HB   )    2.6   0.8   0.8
ASSIGN (RESID  20 AND NAME HA   ) (RESID  23 AND NAME HG2* )    3.7   1.9   1.1
ASSIGN (RESID  20 AND NAME HA   ) (RESID  24 AND NAME HN   )    3.7   1.9   1.1
ASSIGN (RESID  20 AND NAME HB1  ) (RESID  20 AND NAME HG*  )    4.0   2.2   1.2
ASSIGN (RESID  20 AND NAME HB1  ) (RESID  21 AND NAME HN   )    2.3   0.5   0.7
ASSIGN (RESID  20 AND NAME HB2  ) (RESID  20 AND NAME HG*  )    2.6   0.8   0.8
ASSIGN (RESID  20 AND NAME HB2  ) (RESID  21 AND NAME HN   )    3.0   1.2   0.9
ASSIGN (RESID  20 AND NAME HB2  ) (RESID  23 AND NAME HN   )    4.6   2.8   1.3
ASSIGN (RESID  20 AND NAME HB2  ) (RESID  49 AND NAME HD2* )    5.4   3.6   1.6
ASSIGN (RESID  20 AND NAME HG*  ) (RESID  21 AND NAME HN   )    5.0   3.2   1.5
ASSIGN (RESID  20 AND NAME HG*  ) (RESID  49 AND NAME HD1* )    5.2   3.4   1.6
ASSIGN (RESID  20 AND NAME HG*  ) (RESID  49 AND NAME HD2* )    4.8   3.0   1.4
ASSIGN (RESID  21 AND NAME HN   ) (RESID  21 AND NAME HA   )    2.8   1.0   0.8
ASSIGN (RESID  21 AND NAME HN   ) (RESID  21 AND NAME HB1  )    2.9   1.1   0.8
ASSIGN (RESID  21 AND NAME HN   ) (RESID  21 AND NAME HB2  )    2.7   0.9   0.8
ASSIGN (RESID  21 AND NAME HN   ) (RESID  22 AND NAME HN   )    2.4   0.6   0.7
ASSIGN (RESID  21 AND NAME HN   ) (RESID  23 AND NAME HN   )    3.1   1.3   0.9
ASSIGN (RESID  21 AND NAME HN   ) (RESID  23 AND NAME HG2* )    5.5   3.7   1.7
ASSIGN (RESID  21 AND NAME HA   ) (RESID  21 AND NAME HB1  )    2.3   0.5   0.7
ASSIGN (RESID  21 AND NAME HA   ) (RESID  21 AND NAME HB2  )    2.6   0.8   0.8
ASSIGN (RESID  21 AND NAME HA   ) (RESID  22 AND NAME HN   )    2.8   1.0   0.9
ASSIGN (RESID  21 AND NAME HA   ) (RESID  24 AND NAME HN   )    3.4   1.6   1.0
ASSIGN (RESID  21 AND NAME HA   ) (RESID  24 AND NAME HB*  )    3.7   1.9   1.1
ASSIGN (RESID  21 AND NAME HA   ) (RESID  25 AND NAME HN   )    4.4   2.6   1.3
ASSIGN (RESID  21 AND NAME HB1  ) (RESID  21 AND NAME HG*  )    2.6   0.8   0.8
ASSIGN (RESID  21 AND NAME HB1  ) (RESID  22 AND NAME HN   )    4.2   2.4   1.3
ASSIGN (RESID  21 AND NAME HB1  ) (RESID  24 AND NAME HB*  )    5.0   3.2   1.4
ASSIGN (RESID  21 AND NAME HB2  ) (RESID  21 AND NAME HG*  )    2.4   0.6   0.7
ASSIGN (RESID  21 AND NAME HB2  ) (RESID  23 AND NAME HN   )    4.4   2.6   1.1
ASSIGN (RESID  21 AND NAME HB2  ) (RESID  24 AND NAME HB*  )    5.3   3.5   1.5
ASSIGN (RESID  22 AND NAME HN   ) (RESID  22 AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID  22 AND NAME HN   ) (RESID  22 AND NAME HB*  )    2.8   1.0   0.8
ASSIGN (RESID  22 AND NAME HN   ) (RESID  22 AND NAME HG*  )    4.7   2.9   1.4
ASSIGN (RESID  22 AND NAME HN   ) (RESID  23 AND NAME HN   )    2.5   0.7   0.8
ASSIGN (RESID  22 AND NAME HN   ) (RESID  23 AND NAME HG2* )    5.5   3.7   1.7
ASSIGN (RESID  22 AND NAME HN   ) (RESID  24 AND NAME HN   )    4.5   2.7   1.3
ASSIGN (RESID  22 AND NAME HN   ) (RESID  25 AND NAME HN   )    5.2   3.4   1.4
ASSIGN (RESID  22 AND NAME HA   ) (RESID  22 AND NAME HB*  )    3.1   1.3   0.9
ASSIGN (RESID  22 AND NAME HA   ) (RESID  22 AND NAME HG*  )    4.1   2.3   1.2
ASSIGN (RESID  22 AND NAME HA   ) (RESID  23 AND NAME HN   )    3.6   1.8   1.1
ASSIGN (RESID  22 AND NAME HA   ) (RESID  25 AND NAME HN   )    3.4   1.6   1.0
ASSIGN (RESID  22 AND NAME HA   ) (RESID  26 AND NAME HN   )    3.8   2.0   1.1
ASSIGN (RESID  22 AND NAME HB*  ) (RESID  22 AND NAME HG*  )    3.0   1.2   0.9
ASSIGN (RESID  22 AND NAME HB*  ) (RESID  23 AND NAME HN   )    3.2   1.4   1.0
ASSIGN (RESID  22 AND NAME HB*  ) (RESID  23 AND NAME HA   )    4.5   2.7   1.4
ASSIGN (RESID  23 AND NAME HN   ) (RESID  23 AND NAME HA   )    2.6   0.8   0.8
ASSIGN (RESID  23 AND NAME HN   ) (RESID  23 AND NAME HB   )    2.3   0.5   0.7
ASSIGN (RESID  23 AND NAME HN   ) (RESID  23 AND NAME HG1* )    5.5   3.7   1.6
ASSIGN (RESID  23 AND NAME HN   ) (RESID  23 AND NAME HG2* )    3.5   1.7   1.0
ASSIGN (RESID  23 AND NAME HN   ) (RESID  24 AND NAME HN   )    2.7   0.9   0.8
ASSIGN (RESID  23 AND NAME HN   ) (RESID  24 AND NAME HB*  )    5.5   3.7   1.7
ASSIGN (RESID  23 AND NAME HN   ) (RESID  25 AND NAME HN   )    4.0   2.2   1.2
ASSIGN (RESID  23 AND NAME HA   ) (RESID  23 AND NAME HB   )    3.4   1.6   1.0
ASSIGN (RESID  23 AND NAME HA   ) (RESID  23 AND NAME HG1* )    3.8   2.0   1.1
ASSIGN (RESID  23 AND NAME HA   ) (RESID  23 AND NAME HG2* )    3.8   2.0   1.1
ASSIGN (RESID  23 AND NAME HA   ) (RESID  24 AND NAME HN   )    3.5   1.7   1.1
ASSIGN (RESID  23 AND NAME HA   ) (RESID  24 AND NAME HA   )    4.1   2.3   1.2
ASSIGN (RESID  23 AND NAME HA   ) (RESID  26 AND NAME HN   )    3.2   1.4   0.9
ASSIGN (RESID  23 AND NAME HA   ) (RESID  26 AND NAME HB2  )    2.5   0.7   0.7
ASSIGN (RESID  23 AND NAME HA   ) (RESID  26 AND NAME HD*  )    4.1   2.3   1.2
ASSIGN (RESID  23 AND NAME HA   ) (RESID  27 AND NAME HN   )    4.3   2.5   1.2
ASSIGN (RESID  23 AND NAME HA   ) (RESID  27 AND NAME HG1  )    4.8   3.0   1.4
ASSIGN (RESID  23 AND NAME HA   ) (RESID  53 AND NAME HG2* )    5.0   3.2   1.4
ASSIGN (RESID  23 AND NAME HA   ) (RESID  56 AND NAME HB1  )    4.7   2.9   1.4
ASSIGN (RESID  23 AND NAME HA   ) (RESID  56 AND NAME HG   )    4.4   2.6   1.3
ASSIGN (RESID  23 AND NAME HA   ) (RESID  56 AND NAME HD1* )    4.2   2.4   1.3
ASSIGN (RESID  23 AND NAME HB   ) (RESID  24 AND NAME HN   )    2.9   1.1   0.8
ASSIGN (RESID  23 AND NAME HB   ) (RESID  24 AND NAME HB*  )    5.5   3.7   1.7
ASSIGN (RESID  23 AND NAME HB   ) (RESID  26 AND NAME HB1  )    5.3   3.5   1.4
ASSIGN (RESID  23 AND NAME HG1* ) (RESID  23 AND NAME HG2* )    4.2   2.4   1.3
ASSIGN (RESID  23 AND NAME HG1* ) (RESID  24 AND NAME HN   )    5.5   3.7   1.7
ASSIGN (RESID  23 AND NAME HG1* ) (RESID  24 AND NAME HA   )    4.2   2.4   1.3
ASSIGN (RESID  23 AND NAME HG1* ) (RESID  27 AND NAME HN   )    4.6   2.8   1.4
ASSIGN (RESID  23 AND NAME HG1* ) (RESID  27 AND NAME HG1  )    3.8   2.0   1.1
ASSIGN (RESID  23 AND NAME HG1* ) (RESID  27 AND NAME HG2  )    3.8   2.0   1.2
ASSIGN (RESID  23 AND NAME HG1* ) (RESID  52 AND NAME HD2  )    5.5   3.7   1.7
ASSIGN (RESID  23 AND NAME HG1* ) (RESID  52 AND NAME HE*  )    4.7   2.9   1.4
ASSIGN (RESID  23 AND NAME HG2* ) (RESID  24 AND NAME HN   )    5.1   3.3   1.5
ASSIGN (RESID  23 AND NAME HG2* ) (RESID  49 AND NAME HA   )    4.2   2.4   1.3
ASSIGN (RESID  23 AND NAME HG2* ) (RESID  52 AND NAME HG1  )    4.7   2.9   1.4
ASSIGN (RESID  23 AND NAME HG2* ) (RESID  52 AND NAME HE*  )    5.5   3.7   1.7
ASSIGN (RESID  23 AND NAME HG2* ) (RESID  53 AND NAME HA   )    3.3   1.5   1.0
ASSIGN (RESID  23 AND NAME HG2* ) (RESID  56 AND NAME HG   )    4.9   3.1   1.4
ASSIGN (RESID  24 AND NAME HN   ) (RESID  24 AND NAME HB*  )    3.1   1.3   0.9
ASSIGN (RESID  24 AND NAME HN   ) (RESID  25 AND NAME HN   )    2.6   0.8   0.8
ASSIGN (RESID  24 AND NAME HN   ) (RESID  27 AND NAME HN   )    4.8   3.0   1.4
ASSIGN (RESID  24 AND NAME HA   ) (RESID  24 AND NAME HB*  )    3.5   1.7   1.1
ASSIGN (RESID  24 AND NAME HA   ) (RESID  25 AND NAME HN   )    5.0   3.2   1.5
ASSIGN (RESID  24 AND NAME HB*  ) (RESID  25 AND NAME HN   )    3.6   1.8   1.1
ASSIGN (RESID  24 AND NAME HB*  ) (RESID  25 AND NAME HA   )    4.7   2.9   1.4
ASSIGN (RESID  24 AND NAME HB*  ) (RESID  25 AND NAME HB*  )    5.3   3.5   1.6
ASSIGN (RESID  24 AND NAME HB*  ) (RESID  25 AND NAME HG2  )    4.6   2.8   1.4
ASSIGN (RESID  24 AND NAME HB*  ) (RESID  26 AND NAME HN   )    5.2   3.4   1.6
ASSIGN (RESID  24 AND NAME HB*  ) (RESID  27 AND NAME HN   )    5.5   3.7   1.7
ASSIGN (RESID  25 AND NAME HN   ) (RESID  25 AND NAME HA   )    2.7   0.9   0.8
ASSIGN (RESID  25 AND NAME HN   ) (RESID  25 AND NAME HB*  )    3.1   1.3   0.9
ASSIGN (RESID  25 AND NAME HN   ) (RESID  25 AND NAME HG1  )    2.9   1.1   0.9
ASSIGN (RESID  25 AND NAME HN   ) (RESID  25 AND NAME HG2  )    5.0   3.2   1.5
ASSIGN (RESID  25 AND NAME HN   ) (RESID  26 AND NAME HN   )    2.5   0.7   0.8
ASSIGN (RESID  25 AND NAME HN   ) (RESID  27 AND NAME HN   )    4.2   2.4   1.2
ASSIGN (RESID  25 AND NAME HA   ) (RESID  25 AND NAME HG2  )    3.1   1.3   0.9
ASSIGN (RESID  25 AND NAME HA   ) (RESID  26 AND NAME HN   )    3.6   1.8   1.1
ASSIGN (RESID  25 AND NAME HA   ) (RESID  28 AND NAME HB1  )    4.6   2.8   1.3
ASSIGN (RESID  25 AND NAME HA   ) (RESID  28 AND NAME HB2  )    4.2   2.4   1.2
ASSIGN (RESID  25 AND NAME HB*  ) (RESID  25 AND NAME HG2  )    2.7   0.9   0.8
ASSIGN (RESID  25 AND NAME HB*  ) (RESID  26 AND NAME HN   )    3.1   1.3   0.9
ASSIGN (RESID  25 AND NAME HG1  ) (RESID  26 AND NAME HN   )    4.6   2.8   1.4
ASSIGN (RESID  26 AND NAME HN   ) (RESID  26 AND NAME HA   )    3.2   1.4   1.0
ASSIGN (RESID  26 AND NAME HN   ) (RESID  26 AND NAME HB1  )    3.0   1.2   0.9
ASSIGN (RESID  26 AND NAME HN   ) (RESID  26 AND NAME HB2  )    2.3   0.5   0.7
ASSIGN (RESID  26 AND NAME HN   ) (RESID  27 AND NAME HN   )    2.5   0.7   0.8
ASSIGN (RESID  26 AND NAME HN   ) (RESID  53 AND NAME HG1* )    5.7   3.9   1.6
ASSIGN (RESID  26 AND NAME HN   ) (RESID  56 AND NAME HB1  )    4.5   2.7   1.2
ASSIGN (RESID  26 AND NAME HN   ) (RESID  56 AND NAME HD1* )    4.8   3.0   1.4
ASSIGN (RESID  26 AND NAME HA   ) (RESID  27 AND NAME HN   )    3.8   2.0   1.1
ASSIGN (RESID  26 AND NAME HB1  ) (RESID  27 AND NAME HB1  )    3.7   1.9   1.1
ASSIGN (RESID  26 AND NAME HB2  ) (RESID  26 AND NAME HD*  )    5.5   3.7   1.7
ASSIGN (RESID  26 AND NAME HB2  ) (RESID  27 AND NAME HN   )    2.7   0.9   0.8
ASSIGN (RESID  26 AND NAME HB2  ) (RESID  56 AND NAME HB1  )    2.6   0.8   0.7
ASSIGN (RESID  26 AND NAME HB2  ) (RESID  57 AND NAME HB1  )    4.2   2.4   1.1
ASSIGN (RESID  26 AND NAME HD*  ) (RESID  53 AND NAME HA   )    5.5   3.7   1.7
ASSIGN (RESID  26 AND NAME HD*  ) (RESID  56 AND NAME HB1  )    4.1   2.3   1.1
ASSIGN (RESID  26 AND NAME HD*  ) (RESID  57 AND NAME HN   )    4.3   2.5   1.3
ASSIGN (RESID  27 AND NAME HN   ) (RESID  27 AND NAME HA   )    3.2   1.4   1.0
ASSIGN (RESID  27 AND NAME HN   ) (RESID  27 AND NAME HB1  )    3.0   1.2   0.9
ASSIGN (RESID  27 AND NAME HN   ) (RESID  27 AND NAME HB2  )    3.1   1.3   0.9
ASSIGN (RESID  27 AND NAME HN   ) (RESID  27 AND NAME HG1  )    2.8   1.0   0.9
ASSIGN (RESID  27 AND NAME HN   ) (RESID  27 AND NAME HG2  )    2.8   1.0   0.8
ASSIGN (RESID  27 AND NAME HN   ) (RESID  28 AND NAME HN   )    2.7   0.9   0.8
ASSIGN (RESID  27 AND NAME HN   ) (RESID  56 AND NAME HB1  )    3.4   1.6   1.0
ASSIGN (RESID  27 AND NAME HN   ) (RESID  56 AND NAME HD1* )    4.6   2.8   1.4
ASSIGN (RESID  27 AND NAME HA   ) (RESID  27 AND NAME HB1  )    5.0   3.2   1.5
ASSIGN (RESID  27 AND NAME HA   ) (RESID  27 AND NAME HG1  )    3.2   1.4   0.9
ASSIGN (RESID  27 AND NAME HB1  ) (RESID  27 AND NAME HG1  )    2.4   0.6   0.7
ASSIGN (RESID  27 AND NAME HB1  ) (RESID  27 AND NAME HG2  )    2.8   1.0   0.9
ASSIGN (RESID  27 AND NAME HB1  ) (RESID  28 AND NAME HN   )    3.9   2.1   1.2
ASSIGN (RESID  27 AND NAME HB1  ) (RESID  56 AND NAME HD1* )    4.1   2.3   1.1
ASSIGN (RESID  27 AND NAME HB2  ) (RESID  27 AND NAME HG2  )    2.5   0.7   0.8
ASSIGN (RESID  27 AND NAME HB2  ) (RESID  28 AND NAME HN   )    3.9   2.1   1.1
ASSIGN (RESID  27 AND NAME HG1  ) (RESID  56 AND NAME HD2* )    4.2   2.4   1.2
ASSIGN (RESID  27 AND NAME HG2  ) (RESID  56 AND NAME HD1* )    4.2   2.4   1.3
ASSIGN (RESID  28 AND NAME HN   ) (RESID  28 AND NAME HB1  )    3.3   1.5   0.9
ASSIGN (RESID  28 AND NAME HN   ) (RESID  28 AND NAME HB2  )    3.5   1.7   1.0
ASSIGN (RESID  28 AND NAME HN   ) (RESID  29 AND NAME HN   )    2.6   0.8   0.8
ASSIGN (RESID  28 AND NAME HN   ) (RESID  30 AND NAME HA*  )    5.3   3.5   1.5
ASSIGN (RESID  28 AND NAME HB1  ) (RESID  28 AND NAME HD2  )    4.3   2.5   1.3
ASSIGN (RESID  28 AND NAME HB1  ) (RESID  29 AND NAME HN   )    3.8   2.0   1.1
ASSIGN (RESID  28 AND NAME HB2  ) (RESID  28 AND NAME HD2  )    5.0   3.2   1.5
ASSIGN (RESID  28 AND NAME HB2  ) (RESID  29 AND NAME HN   )    3.9   2.1   1.1
ASSIGN (RESID  28 AND NAME HD2  ) (RESID  29 AND NAME HA   )    5.5   3.7   1.6
ASSIGN (RESID  28 AND NAME HD2  ) (RESID  29 AND NAME HB1  )    5.1   3.3   1.5
ASSIGN (RESID  29 AND NAME HN   ) (RESID  29 AND NAME HA   )    3.4   1.6   1.0
ASSIGN (RESID  29 AND NAME HN   ) (RESID  29 AND NAME HB1  )    3.0   1.2   0.9
ASSIGN (RESID  29 AND NAME HN   ) (RESID  29 AND NAME HB2  )    3.3   1.5   1.0
ASSIGN (RESID  29 AND NAME HN   ) (RESID  29 AND NAME HG1  )    3.8   2.0   1.2
ASSIGN (RESID  29 AND NAME HN   ) (RESID  29 AND NAME HG2  )    3.8   2.0   1.1
ASSIGN (RESID  29 AND NAME HA   ) (RESID  29 AND NAME HB1  )    3.1   1.3   0.9
ASSIGN (RESID  29 AND NAME HA   ) (RESID  29 AND NAME HB2  )    2.3   0.5   0.7
ASSIGN (RESID  29 AND NAME HA   ) (RESID  29 AND NAME HG1  )    5.0   3.2   1.5
ASSIGN (RESID  29 AND NAME HA   ) (RESID  29 AND NAME HG2  )    3.4   1.6   1.0
ASSIGN (RESID  29 AND NAME HA   ) (RESID  30 AND NAME HN   )    3.4   1.6   1.0
ASSIGN (RESID  29 AND NAME HB1  ) (RESID  29 AND NAME HG1  )    2.6   0.8   0.8
ASSIGN (RESID  29 AND NAME HB1  ) (RESID  29 AND NAME HG2  )    2.8   1.0   0.8
ASSIGN (RESID  29 AND NAME HB2  ) (RESID  29 AND NAME HG1  )    3.3   1.5   1.0
ASSIGN (RESID  29 AND NAME HB2  ) (RESID  29 AND NAME HG2  )    2.2   0.4   0.6
ASSIGN (RESID  30 AND NAME HN   ) (RESID  30 AND NAME HA*  )    3.9   2.1   1.2
ASSIGN (RESID  31 AND NAME HN*  ) (RESID  31 AND NAME HA   )    4.1   2.3   1.2
ASSIGN (RESID  31 AND NAME HN*  ) (RESID  31 AND NAME HB1  )    3.5   1.7   1.0
ASSIGN (RESID  31 AND NAME HN*  ) (RESID  31 AND NAME HG1  )    5.4   3.6   1.6
ASSIGN (RESID  31 AND NAME HN*  ) (RESID  31 AND NAME HG2  )    5.5   3.7   1.7
ASSIGN (RESID  31 AND NAME HN*  ) (RESID  34 AND NAME HB*  )    5.5   3.7   1.7
ASSIGN (RESID  31 AND NAME HA   ) (RESID  31 AND NAME HB1  )    3.2   1.4   0.9
ASSIGN (RESID  31 AND NAME HA   ) (RESID  31 AND NAME HB2  )    2.9   1.1   0.9
ASSIGN (RESID  31 AND NAME HA   ) (RESID  31 AND NAME HG1  )    3.3   1.5   1.0
ASSIGN (RESID  31 AND NAME HA   ) (RESID  31 AND NAME HG2  )    3.1   1.3   0.9
ASSIGN (RESID  31 AND NAME HA   ) (RESID  32 AND NAME HN   )    2.8   1.0   0.8
ASSIGN (RESID  31 AND NAME HA   ) (RESID  32 AND NAME HA   )    5.0   3.2   1.5
ASSIGN (RESID  31 AND NAME HA   ) (RESID  32 AND NAME HG2* )    5.2   3.4   1.6
ASSIGN (RESID  31 AND NAME HA   ) (RESID  34 AND NAME HN   )    3.9   2.1   1.1
ASSIGN (RESID  31 AND NAME HA   ) (RESID  34 AND NAME HB*  )    4.7   2.9   1.4
ASSIGN (RESID  31 AND NAME HA   ) (RESID  35 AND NAME HN   )    3.7   1.9   1.1
ASSIGN (RESID  31 AND NAME HA   ) (RESID  35 AND NAME HB1  )    4.8   3.0   1.3
ASSIGN (RESID  31 AND NAME HB1  ) (RESID  31 AND NAME HG1  )    2.3   0.5   0.7
ASSIGN (RESID  31 AND NAME HB2  ) (RESID  31 AND NAME HG1  )    2.6   0.8   0.8
ASSIGN (RESID  31 AND NAME HB2  ) (RESID  31 AND NAME HG2  )    2.3   0.5   0.7
ASSIGN (RESID  31 AND NAME HB2  ) (RESID  33 AND NAME HN   )    3.2   1.4   0.9
ASSIGN (RESID  32 AND NAME HN   ) (RESID  32 AND NAME HA   )    2.6   0.8   0.8
ASSIGN (RESID  32 AND NAME HN   ) (RESID  32 AND NAME HB   )    3.1   1.3   0.8
ASSIGN (RESID  32 AND NAME HN   ) (RESID  32 AND NAME HG1* )    5.5   3.7   1.7
ASSIGN (RESID  32 AND NAME HN   ) (RESID  32 AND NAME HG2* )    3.5   1.7   1.0
ASSIGN (RESID  32 AND NAME HA   ) (RESID  32 AND NAME HB   )    2.3   0.5   0.7
ASSIGN (RESID  32 AND NAME HA   ) (RESID  32 AND NAME HG1* )    3.7   1.9   1.1
ASSIGN (RESID  32 AND NAME HA   ) (RESID  32 AND NAME HG2* )    3.7   1.9   1.1
ASSIGN (RESID  32 AND NAME HA   ) (RESID  33 AND NAME HN   )    2.6   0.8   0.8
ASSIGN (RESID  32 AND NAME HA   ) (RESID  33 AND NAME HA   )    3.9   2.1   1.1
ASSIGN (RESID  32 AND NAME HA   ) (RESID  34 AND NAME HN   )    4.2   2.4   1.3
ASSIGN (RESID  32 AND NAME HA   ) (RESID  35 AND NAME HN   )    4.3   2.5   1.2
ASSIGN (RESID  32 AND NAME HA   ) (RESID  36 AND NAME HN   )    3.8   2.0   1.1
ASSIGN (RESID  32 AND NAME HA   ) (RESID  36 AND NAME HB1  )    3.6   1.8   1.1
ASSIGN (RESID  32 AND NAME HA   ) (RESID  36 AND NAME HG*  )    4.7   2.9   1.3
ASSIGN (RESID  32 AND NAME HB   ) (RESID  32 AND NAME HG1* )    4.2   2.4   1.3
ASSIGN (RESID  32 AND NAME HB   ) (RESID  33 AND NAME HN   )    3.1   1.3   0.8
ASSIGN (RESID  32 AND NAME HG1* ) (RESID  32 AND NAME HG2* )    2.7   0.9   0.8
ASSIGN (RESID  32 AND NAME HG1* ) (RESID  33 AND NAME HN   )    4.5   2.7   1.4
ASSIGN (RESID  32 AND NAME HG1* ) (RESID  33 AND NAME HA   )    5.5   3.7   1.7
ASSIGN (RESID  32 AND NAME HG1* ) (RESID  36 AND NAME HE1  )    4.0   2.2   1.2
ASSIGN (RESID  32 AND NAME HG2* ) (RESID  33 AND NAME HN   )    4.3   2.5   1.2
ASSIGN (RESID  33 AND NAME HN   ) (RESID  33 AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID  33 AND NAME HN   ) (RESID  33 AND NAME HB*  )    3.1   1.3   0.9
ASSIGN (RESID  33 AND NAME HN   ) (RESID  33 AND NAME HG*  )    3.8   2.0   1.1
ASSIGN (RESID  33 AND NAME HN   ) (RESID  34 AND NAME HN   )    2.0   0.5   0.7
ASSIGN (RESID  33 AND NAME HN   ) (RESID  34 AND NAME HB*  )    4.9   3.1   1.5
ASSIGN (RESID  33 AND NAME HN   ) (RESID  35 AND NAME HN   )    3.7   1.9   1.1
ASSIGN (RESID  33 AND NAME HN   ) (RESID  36 AND NAME HN   )    4.1   2.3   1.2
ASSIGN (RESID  33 AND NAME HN   ) (RESID  36 AND NAME HB2  )    3.6   1.8   1.0
ASSIGN (RESID  33 AND NAME HN   ) (RESID  37 AND NAME HD2  )    4.2   2.4   1.2
ASSIGN (RESID  33 AND NAME HA   ) (RESID  33 AND NAME HB*  )    3.5   1.7   1.1
ASSIGN (RESID  33 AND NAME HA   ) (RESID  33 AND NAME HG*  )    3.8   2.0   1.1
ASSIGN (RESID  33 AND NAME HA   ) (RESID  35 AND NAME HN   )    3.9   2.1   1.2
ASSIGN (RESID  33 AND NAME HA   ) (RESID  36 AND NAME HN   )    3.6   1.8   1.1
ASSIGN (RESID  33 AND NAME HA   ) (RESID  36 AND NAME HA   )    4.1   2.3   1.0
ASSIGN (RESID  33 AND NAME HA   ) (RESID  36 AND NAME HE2  )    4.3   2.5   1.3
ASSIGN (RESID  33 AND NAME HA   ) (RESID  37 AND NAME HN   )    2.7   0.9   0.8
ASSIGN (RESID  33 AND NAME HB*  ) (RESID  33 AND NAME HG*  )    3.0   1.2   0.9
ASSIGN (RESID  33 AND NAME HG*  ) (RESID  35 AND NAME HN   )    4.7   2.9   1.4
ASSIGN (RESID  33 AND NAME HG*  ) (RESID  37 AND NAME HD2  )    4.3   2.5   1.3
ASSIGN (RESID  33 AND NAME HG*  ) (RESID  37 AND NAME HE*  )    4.5   2.7   1.3
ASSIGN (RESID  34 AND NAME HN   ) (RESID  34 AND NAME HA   )    2.3   0.5   0.7
ASSIGN (RESID  34 AND NAME HN   ) (RESID  34 AND NAME HB*  )    3.3   1.5   1.0
ASSIGN (RESID  34 AND NAME HN   ) (RESID  35 AND NAME HN   )    2.5   0.7   0.7
ASSIGN (RESID  34 AND NAME HN   ) (RESID  36 AND NAME HN   )    5.0   3.2   1.5
ASSIGN (RESID  34 AND NAME HA   ) (RESID  35 AND NAME HN   )    3.2   1.4   1.0
ASSIGN (RESID  34 AND NAME HA   ) (RESID  37 AND NAME HN   )    3.5   1.7   1.0
ASSIGN (RESID  34 AND NAME HB*  ) (RESID  35 AND NAME HN   )    3.9   2.1   1.2
ASSIGN (RESID  34 AND NAME HB*  ) (RESID  36 AND NAME HN   )    4.7   2.9   1.4
ASSIGN (RESID  35 AND NAME HN   ) (RESID  35 AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID  35 AND NAME HN   ) (RESID  35 AND NAME HB1  )    3.2   1.4   0.9
ASSIGN (RESID  35 AND NAME HN   ) (RESID  35 AND NAME HB2  )    2.3   0.5   0.7
ASSIGN (RESID  35 AND NAME HN   ) (RESID  35 AND NAME HD1* )    4.5   2.7   1.3
ASSIGN (RESID  35 AND NAME HN   ) (RESID  35 AND NAME HD2* )    4.3   2.5   1.3
ASSIGN (RESID  35 AND NAME HN   ) (RESID  36 AND NAME HN   )    2.6   0.8   0.8
ASSIGN (RESID  35 AND NAME HN   ) (RESID  36 AND NAME HA   )    5.0   3.2   1.5
ASSIGN (RESID  35 AND NAME HN   ) (RESID  36 AND NAME HB1  )    2.8   1.0   0.8
ASSIGN (RESID  35 AND NAME HN   ) (RESID  36 AND NAME HG*  )    4.8   3.0   1.3
ASSIGN (RESID  35 AND NAME HN   ) (RESID  37 AND NAME HN   )    3.8   2.0   1.1
ASSIGN (RESID  35 AND NAME HA   ) (RESID  35 AND NAME HD1* )    4.2   2.4   1.3
ASSIGN (RESID  35 AND NAME HA   ) (RESID  35 AND NAME HD2* )    3.6   1.8   1.1
ASSIGN (RESID  35 AND NAME HA   ) (RESID  36 AND NAME HN   )    4.5   2.7   1.3
ASSIGN (RESID  35 AND NAME HA   ) (RESID  38 AND NAME HB1  )    2.6   0.8   0.7
ASSIGN (RESID  35 AND NAME HA   ) (RESID  38 AND NAME HG1  )    3.1   1.3   0.9
ASSIGN (RESID  35 AND NAME HA   ) (RESID  38 AND NAME HD1  )    3.9   2.1   1.1
ASSIGN (RESID  35 AND NAME HA   ) (RESID  39 AND NAME HG2* )    5.5   3.7   1.7
ASSIGN (RESID  35 AND NAME HB1  ) (RESID  35 AND NAME HD2* )    5.5   3.7   1.7
ASSIGN (RESID  35 AND NAME HB1  ) (RESID  36 AND NAME HB1  )    4.2   1.4   1.1
ASSIGN (RESID  35 AND NAME HB2  ) (RESID  35 AND NAME HD1* )    3.4   1.6   1.0
ASSIGN (RESID  35 AND NAME HB2  ) (RESID  36 AND NAME HN   )    3.3   1.5   1.0
ASSIGN (RESID  35 AND NAME HB2  ) (RESID  38 AND NAME HG2  )    3.5   1.7   0.9
ASSIGN (RESID  35 AND NAME HB2  ) (RESID  38 AND NAME HE   )    4.6   2.8   1.3
ASSIGN (RESID  35 AND NAME HD1* ) (RESID  35 AND NAME HD2* )    2.9   1.1   0.9
ASSIGN (RESID  36 AND NAME HN   ) (RESID  36 AND NAME HA   )    3.3   1.5   1.0
ASSIGN (RESID  36 AND NAME HN   ) (RESID  36 AND NAME HB1  )    4.1   2.3   1.2
ASSIGN (RESID  36 AND NAME HN   ) (RESID  36 AND NAME HG*  )    4.2   2.4   1.3
ASSIGN (RESID  36 AND NAME HN   ) (RESID  36 AND NAME HD1  )    3.9   2.1   1.1
ASSIGN (RESID  36 AND NAME HN   ) (RESID  36 AND NAME HD2  )    4.6   2.8   1.3
ASSIGN (RESID  36 AND NAME HN   ) (RESID  37 AND NAME HN   )    2.6   0.8   0.8
ASSIGN (RESID  36 AND NAME HN   ) (RESID  38 AND NAME HN   )    3.8   2.0   1.1
ASSIGN (RESID  36 AND NAME HN   ) (RESID  39 AND NAME HG2* )    5.5   3.7   1.7
ASSIGN (RESID  36 AND NAME HA   ) (RESID  36 AND NAME HB1  )    2.9   1.1   0.9
ASSIGN (RESID  36 AND NAME HA   ) (RESID  36 AND NAME HG*  )    3.4   1.6   1.0
ASSIGN (RESID  36 AND NAME HA   ) (RESID  36 AND NAME HD1  )    3.6   1.8   1.1
ASSIGN (RESID  36 AND NAME HA   ) (RESID  36 AND NAME HD2  )    3.9   2.1   1.2
ASSIGN (RESID  36 AND NAME HA   ) (RESID  37 AND NAME HN   )    4.7   2.9   1.4
ASSIGN (RESID  36 AND NAME HA   ) (RESID  37 AND NAME HB*  )    4.8   3.0   1.3
ASSIGN (RESID  36 AND NAME HA   ) (RESID  38 AND NAME HN   )    3.9   2.1   1.2
ASSIGN (RESID  36 AND NAME HA   ) (RESID  39 AND NAME HN   )    4.8   3.0   1.4
ASSIGN (RESID  36 AND NAME HA   ) (RESID  39 AND NAME HB   )    3.2   1.4   0.9
ASSIGN (RESID  36 AND NAME HA   ) (RESID  39 AND NAME HG2* )    4.6   2.8   1.4
ASSIGN (RESID  36 AND NAME HA   ) (RESID  40 AND NAME HN   )    4.7   2.9   1.3
ASSIGN (RESID  36 AND NAME HB1  ) (RESID  36 AND NAME HG*  )    3.6   1.8   1.1
ASSIGN (RESID  36 AND NAME HB1  ) (RESID  37 AND NAME HN   )    3.4   1.6   1.0
ASSIGN (RESID  36 AND NAME HG*  ) (RESID  36 AND NAME HD1  )    3.4   1.6   1.0
ASSIGN (RESID  36 AND NAME HG*  ) (RESID  36 AND NAME HD2  )    2.9   1.1   0.9
ASSIGN (RESID  36 AND NAME HG*  ) (RESID  39 AND NAME HN   )    4.9   3.1   1.4
ASSIGN (RESID  36 AND NAME HG*  ) (RESID  39 AND NAME HG2* )    5.5   3.7   1.6
ASSIGN (RESID  36 AND NAME HD1  ) (RESID  36 AND NAME HE1  )    2.7   0.9   0.8
ASSIGN (RESID  36 AND NAME HD2  ) (RESID  36 AND NAME HE1  )    4.5   2.7   1.4
ASSIGN (RESID  36 AND NAME HD2  ) (RESID  36 AND NAME HE2  )    2.6   0.8   0.8
ASSIGN (RESID  37 AND NAME HN   ) (RESID  37 AND NAME HA   )    2.9   1.1   0.9
ASSIGN (RESID  37 AND NAME HN   ) (RESID  37 AND NAME HB*  )    3.0   1.2   0.9
ASSIGN (RESID  37 AND NAME HN   ) (RESID  37 AND NAME HG*  )    4.9   3.1   1.5
ASSIGN (RESID  37 AND NAME HN   ) (RESID  37 AND NAME HD1  )    3.8   2.0   1.2
ASSIGN (RESID  37 AND NAME HN   ) (RESID  37 AND NAME HD2  )    5.0   3.2   1.5
ASSIGN (RESID  37 AND NAME HN   ) (RESID  38 AND NAME HN   )    2.8   1.0   0.8
ASSIGN (RESID  37 AND NAME HN   ) (RESID  39 AND NAME HN   )    4.6   2.8   1.4
ASSIGN (RESID  37 AND NAME HA   ) (RESID  37 AND NAME HB*  )    3.7   1.9   1.1
ASSIGN (RESID  37 AND NAME HA   ) (RESID  37 AND NAME HE*  )    4.4   2.6   1.3
ASSIGN (RESID  37 AND NAME HA   ) (RESID  38 AND NAME HN   )    3.3   1.5   1.0
ASSIGN (RESID  37 AND NAME HA   ) (RESID  40 AND NAME HN   )    4.6   2.8   1.4
ASSIGN (RESID  37 AND NAME HA   ) (RESID  40 AND NAME HG2  )    3.5   1.7   1.0
ASSIGN (RESID  37 AND NAME HB*  ) (RESID  37 AND NAME HG*  )    3.9   2.1   1.2
ASSIGN (RESID  37 AND NAME HB*  ) (RESID  37 AND NAME HD2  )    3.4   1.6   1.0
ASSIGN (RESID  37 AND NAME HB*  ) (RESID  38 AND NAME HN   )    3.5   1.7   1.1
ASSIGN (RESID  37 AND NAME HG*  ) (RESID  37 AND NAME HD1  )    3.3   1.5   1.0
ASSIGN (RESID  37 AND NAME HD2  ) (RESID  37 AND NAME HE*  )    3.1   1.3   0.9
ASSIGN (RESID  37 AND NAME HD2  ) (RESID  38 AND NAME HN   )    4.6   2.8   1.4
ASSIGN (RESID  37 AND NAME HE*  ) (RESID  38 AND NAME HN   )    4.5   2.7   1.3
ASSIGN (RESID  38 AND NAME HN   ) (RESID  38 AND NAME HA   )    3.2   1.4   1.0
ASSIGN (RESID  38 AND NAME HN   ) (RESID  38 AND NAME HB1  )    2.3   0.5   0.7
ASSIGN (RESID  38 AND NAME HN   ) (RESID  38 AND NAME HB2  )    2.8   1.0   0.8
ASSIGN (RESID  38 AND NAME HN   ) (RESID  38 AND NAME HG2  )    3.4   1.6   1.0
ASSIGN (RESID  38 AND NAME HN   ) (RESID  39 AND NAME HN   )    2.6   0.8   0.8
ASSIGN (RESID  38 AND NAME HN   ) (RESID  39 AND NAME HG1* )    5.5   3.7   1.7
ASSIGN (RESID  38 AND NAME HN   ) (RESID  39 AND NAME HG2* )    5.5   3.7   1.7
ASSIGN (RESID  38 AND NAME HA   ) (RESID  38 AND NAME HB1  )    2.9   1.1   0.9
ASSIGN (RESID  38 AND NAME HA   ) (RESID  38 AND NAME HB2  )    2.9   1.1   0.9
ASSIGN (RESID  38 AND NAME HA   ) (RESID  38 AND NAME HG1  )    3.0   1.2   0.9
ASSIGN (RESID  38 AND NAME HA   ) (RESID  38 AND NAME HG2  )    3.2   1.4   1.0
ASSIGN (RESID  38 AND NAME HA   ) (RESID  38 AND NAME HD1  )    4.4   2.6   1.3
ASSIGN (RESID  38 AND NAME HA   ) (RESID  38 AND NAME HD2  )    3.9   2.1   1.1
ASSIGN (RESID  38 AND NAME HA   ) (RESID  39 AND NAME HN   )    3.6   1.8   1.1
ASSIGN (RESID  38 AND NAME HA   ) (RESID  41 AND NAME HN   )    2.8   1.0   0.8
ASSIGN (RESID  38 AND NAME HA   ) (RESID  41 AND NAME HB*  )    4.0   2.2   1.2
ASSIGN (RESID  38 AND NAME HA   ) (RESID  42 AND NAME HN   )    5.0   3.2   1.5
ASSIGN (RESID  38 AND NAME HB1  ) (RESID  38 AND NAME HG1  )    2.4   0.6   0.7
ASSIGN (RESID  38 AND NAME HB1  ) (RESID  38 AND NAME HG2  )    2.0   0.2   0.6
ASSIGN (RESID  38 AND NAME HB1  ) (RESID  38 AND NAME HD1  )    3.9   2.1   1.2
ASSIGN (RESID  38 AND NAME HB1  ) (RESID  38 AND NAME HD2  )    5.0   3.2   1.5
ASSIGN (RESID  38 AND NAME HB1  ) (RESID  39 AND NAME HN   )    3.1   1.3   0.9
ASSIGN (RESID  38 AND NAME HB2  ) (RESID  38 AND NAME HG1  )    3.6   1.8   1.1
ASSIGN (RESID  38 AND NAME HB2  ) (RESID  38 AND NAME HD1  )    3.8   2.0   1.1
ASSIGN (RESID  38 AND NAME HB2  ) (RESID  38 AND NAME HD2  )    4.6   2.8   1.4
ASSIGN (RESID  38 AND NAME HB2  ) (RESID  39 AND NAME HN   )    3.8   2.0   1.0
ASSIGN (RESID  38 AND NAME HG1  ) (RESID  38 AND NAME HD1  )    4.2   2.4   1.3
ASSIGN (RESID  38 AND NAME HG1  ) (RESID  38 AND NAME HD2  )    2.5   0.7   0.8
ASSIGN (RESID  38 AND NAME HG1  ) (RESID  39 AND NAME HB   )    4.1   2.3   1.2
ASSIGN (RESID  38 AND NAME HG1  ) (RESID  42 AND NAME HD1* )    4.6   2.8   1.4
ASSIGN (RESID  38 AND NAME HG2  ) (RESID  38 AND NAME HD1  )    2.9   1.1   0.9
ASSIGN (RESID  38 AND NAME HG2  ) (RESID  38 AND NAME HD2  )    3.2   1.4   1.0
ASSIGN (RESID  38 AND NAME HG2  ) (RESID  42 AND NAME HD1* )    5.5   3.7   1.6
ASSIGN (RESID  38 AND NAME HD2  ) (RESID  38 AND NAME HE   )    2.8   1.0   0.8
ASSIGN (RESID  39 AND NAME HN   ) (RESID  39 AND NAME HA   )    2.6   0.8   0.8
ASSIGN (RESID  39 AND NAME HN   ) (RESID  39 AND NAME HB   )    2.2   0.4   0.7
ASSIGN (RESID  39 AND NAME HN   ) (RESID  39 AND NAME HG1* )    4.9   3.1   1.5
ASSIGN (RESID  39 AND NAME HN   ) (RESID  39 AND NAME HG2* )    3.4   1.6   1.0
ASSIGN (RESID  39 AND NAME HN   ) (RESID  40 AND NAME HN   )    2.7   0.9   0.8
ASSIGN (RESID  39 AND NAME HN   ) (RESID  40 AND NAME HB*  )    5.5   3.7   1.7
ASSIGN (RESID  39 AND NAME HN   ) (RESID  41 AND NAME HN   )    4.5   2.7   1.4
ASSIGN (RESID  39 AND NAME HA   ) (RESID  39 AND NAME HB   )    2.6   0.8   0.7
ASSIGN (RESID  39 AND NAME HA   ) (RESID  39 AND NAME HG1* )    3.9   2.1   1.2
ASSIGN (RESID  39 AND NAME HA   ) (RESID  39 AND NAME HG2* )    3.2   1.4   0.9
ASSIGN (RESID  39 AND NAME HA   ) (RESID  40 AND NAME HN   )    3.4   1.6   1.0
ASSIGN (RESID  39 AND NAME HA   ) (RESID  41 AND NAME HN   )    3.7   1.9   1.1
ASSIGN (RESID  39 AND NAME HA   ) (RESID  42 AND NAME HN   )    3.5   1.7   1.1
ASSIGN (RESID  39 AND NAME HA   ) (RESID  42 AND NAME HB1  )    3.9   2.1   1.1
ASSIGN (RESID  39 AND NAME HA   ) (RESID  42 AND NAME HB2  )    3.6   1.8   0.8
ASSIGN (RESID  39 AND NAME HA   ) (RESID  42 AND NAME HD1* )    3.5   1.7   1.0
ASSIGN (RESID  39 AND NAME HA   ) (RESID  42 AND NAME HD2* )    4.0   2.2   1.2
ASSIGN (RESID  39 AND NAME HA   ) (RESID  43 AND NAME HN   )    4.0   2.2   1.1
ASSIGN (RESID  39 AND NAME HB   ) (RESID  39 AND NAME HG1* )    5.5   3.7   1.7
ASSIGN (RESID  39 AND NAME HB   ) (RESID  39 AND NAME HG2* )    3.0   1.2   0.9
ASSIGN (RESID  39 AND NAME HB   ) (RESID  40 AND NAME HN   )    2.3   0.5   0.7
ASSIGN (RESID  39 AND NAME HB   ) (RESID  40 AND NAME HA   )    3.4   1.6   1.0
ASSIGN (RESID  39 AND NAME HG1* ) (RESID  39 AND NAME HG2* )    3.2   1.4   1.0
ASSIGN (RESID  39 AND NAME HG1* ) (RESID  40 AND NAME HN   )    4.5   2.7   1.3
ASSIGN (RESID  39 AND NAME HG1* ) (RESID  40 AND NAME HA   )    5.4   3.6   1.6
ASSIGN (RESID  39 AND NAME HG1* ) (RESID  43 AND NAME HN   )    5.5   3.7   1.7
ASSIGN (RESID  39 AND NAME HG1* ) (RESID  43 AND NAME HB1  )    3.6   1.8   1.0
ASSIGN (RESID  39 AND NAME HG1* ) (RESID  43 AND NAME HG*  )    3.8   2.0   1.2
ASSIGN (RESID  39 AND NAME HG1* ) (RESID  43 AND NAME HD1  )    5.5   3.7   1.7
ASSIGN (RESID  39 AND NAME HG1* ) (RESID  43 AND NAME HD2  )    5.1   3.3   1.5
ASSIGN (RESID  39 AND NAME HG1* ) (RESID  43 AND NAME HE1  )    4.7   2.9   1.4
ASSIGN (RESID  39 AND NAME HG1* ) (RESID  43 AND NAME HE2  )    3.8   2.0   1.1
ASSIGN (RESID  39 AND NAME HG2* ) (RESID  40 AND NAME HN   )    4.7   2.9   1.4
ASSIGN (RESID  40 AND NAME HN   ) (RESID  40 AND NAME HA   )    2.7   0.9   0.8
ASSIGN (RESID  40 AND NAME HN   ) (RESID  40 AND NAME HB*  )    3.2   1.4   1.0
ASSIGN (RESID  40 AND NAME HN   ) (RESID  40 AND NAME HG1  )    3.7   1.9   1.1
ASSIGN (RESID  40 AND NAME HN   ) (RESID  40 AND NAME HG2  )    3.1   1.3   0.9
ASSIGN (RESID  40 AND NAME HN   ) (RESID  41 AND NAME HN   )    2.2   0.4   0.7
ASSIGN (RESID  40 AND NAME HN   ) (RESID  42 AND NAME HN   )    3.5   1.7   1.0
ASSIGN (RESID  40 AND NAME HA   ) (RESID  40 AND NAME HB*  )    3.2   1.4   1.0
ASSIGN (RESID  40 AND NAME HA   ) (RESID  40 AND NAME HG1  )    3.0   1.2   0.9
ASSIGN (RESID  40 AND NAME HA   ) (RESID  41 AND NAME HN   )    3.8   2.0   1.1
ASSIGN (RESID  40 AND NAME HA   ) (RESID  44 AND NAME HB*  )    4.1   2.3   1.2
ASSIGN (RESID  40 AND NAME HB*  ) (RESID  40 AND NAME HG1  )    2.7   0.9   0.8
ASSIGN (RESID  40 AND NAME HB*  ) (RESID  41 AND NAME HN   )    3.3   1.5   0.9
ASSIGN (RESID  40 AND NAME HG1  ) (RESID  41 AND NAME HN   )    3.3   1.5   1.0
ASSIGN (RESID  41 AND NAME HN   ) (RESID  41 AND NAME HA   )    3.5   1.7   1.1
ASSIGN (RESID  41 AND NAME HN   ) (RESID  41 AND NAME HB*  )    3.1   1.3   0.9
ASSIGN (RESID  41 AND NAME HN   ) (RESID  42 AND NAME HN   )    2.5   0.7   0.7
ASSIGN (RESID  41 AND NAME HN   ) (RESID  43 AND NAME HN   )    4.3   2.5   1.3
ASSIGN (RESID  41 AND NAME HA   ) (RESID  41 AND NAME HB*  )    2.9   1.1   0.9
ASSIGN (RESID  41 AND NAME HA   ) (RESID  42 AND NAME HN   )    4.0   2.2   1.2
ASSIGN (RESID  41 AND NAME HA   ) (RESID  44 AND NAME HN   )    3.5   1.7   1.0
ASSIGN (RESID  41 AND NAME HB*  ) (RESID  42 AND NAME HN   )    3.6   1.8   1.1
ASSIGN (RESID  41 AND NAME HB*  ) (RESID  42 AND NAME HA   )    5.5   3.7   1.7
ASSIGN (RESID  41 AND NAME HB*  ) (RESID  42 AND NAME HD1* )    5.2   3.4   1.5
ASSIGN (RESID  42 AND NAME HN   ) (RESID  42 AND NAME HA   )    3.2   1.4   1.0
ASSIGN (RESID  42 AND NAME HN   ) (RESID  42 AND NAME HB1  )    3.1   1.3   0.9
ASSIGN (RESID  42 AND NAME HN   ) (RESID  42 AND NAME HB2  )    2.7   0.9   0.7
ASSIGN (RESID  42 AND NAME HN   ) (RESID  42 AND NAME HD1* )    4.3   2.5   1.3
ASSIGN (RESID  42 AND NAME HN   ) (RESID  42 AND NAME HD2* )    5.5   3.7   1.7
ASSIGN (RESID  42 AND NAME HN   ) (RESID  43 AND NAME HN   )    2.6   0.8   0.8
ASSIGN (RESID  42 AND NAME HN   ) (RESID  43 AND NAME HB2  )    4.6   2.8   1.3
ASSIGN (RESID  42 AND NAME HN   ) (RESID  44 AND NAME HN   )    3.2   1.4   1.0
ASSIGN (RESID  42 AND NAME HA   ) (RESID  42 AND NAME HB1  )    2.9   1.1   0.9
ASSIGN (RESID  42 AND NAME HA   ) (RESID  42 AND NAME HD1* )    3.8   2.0   1.1
ASSIGN (RESID  42 AND NAME HA   ) (RESID  42 AND NAME HD2* )    3.4   1.6   1.0
ASSIGN (RESID  42 AND NAME HA   ) (RESID  43 AND NAME HN   )    3.0   1.2   0.9
ASSIGN (RESID  42 AND NAME HA   ) (RESID  45 AND NAME HN   )    3.7   1.9   1.0
ASSIGN (RESID  42 AND NAME HA   ) (RESID  45 AND NAME HB*  )    4.1   2.3   1.1
ASSIGN (RESID  42 AND NAME HA   ) (RESID  46 AND NAME HN   )    3.9   2.1   1.2
ASSIGN (RESID  42 AND NAME HB1  ) (RESID  42 AND NAME HD1* )    3.6   1.8   1.1
ASSIGN (RESID  42 AND NAME HB1  ) (RESID  43 AND NAME HN   )    3.4   1.6   1.0
ASSIGN (RESID  42 AND NAME HB1  ) (RESID  43 AND NAME HB1  )    4.6   2.8   1.2
ASSIGN (RESID  42 AND NAME HB2  ) (RESID  42 AND NAME HD1* )    3.4   1.6   1.0
ASSIGN (RESID  42 AND NAME HB2  ) (RESID  42 AND NAME HD2* )    3.8   2.0   1.1
ASSIGN (RESID  42 AND NAME HB2  ) (RESID  43 AND NAME HN   )    2.8   1.0   0.9
ASSIGN (RESID  42 AND NAME HB2  ) (RESID  46 AND NAME HD21 )    4.2   2.4   1.2
ASSIGN (RESID  42 AND NAME HD1* ) (RESID  42 AND NAME HD2* )    2.7   0.9   0.8
ASSIGN (RESID  42 AND NAME HD1* ) (RESID  43 AND NAME HN   )    5.5   3.7   1.7
ASSIGN (RESID  43 AND NAME HN   ) (RESID  43 AND NAME HA   )    2.8   1.0   0.8
ASSIGN (RESID  43 AND NAME HN   ) (RESID  43 AND NAME HB1  )    2.8   1.0   0.8
ASSIGN (RESID  43 AND NAME HN   ) (RESID  43 AND NAME HB2  )    3.1   1.3   0.9
ASSIGN (RESID  43 AND NAME HN   ) (RESID  43 AND NAME HG*  )    3.7   1.9   1.1
ASSIGN (RESID  43 AND NAME HN   ) (RESID  43 AND NAME HD1  )    3.6   1.8   1.1
ASSIGN (RESID  43 AND NAME HN   ) (RESID  43 AND NAME HD2  )    3.3   1.5   0.9
ASSIGN (RESID  43 AND NAME HN   ) (RESID  44 AND NAME HN   )    2.5   0.7   0.8
ASSIGN (RESID  43 AND NAME HN   ) (RESID  44 AND NAME HA   )    4.3   2.5   1.3
ASSIGN (RESID  43 AND NAME HN   ) (RESID  44 AND NAME HB*  )    5.5   3.7   1.7
ASSIGN (RESID  43 AND NAME HN   ) (RESID  46 AND NAME HN   )    4.9   3.1   1.5
ASSIGN (RESID  43 AND NAME HA   ) (RESID  43 AND NAME HB2  )    2.5   0.7   0.8
ASSIGN (RESID  43 AND NAME HA   ) (RESID  43 AND NAME HG*  )    3.3   1.5   1.0
ASSIGN (RESID  43 AND NAME HA   ) (RESID  43 AND NAME HD1  )    3.1   1.3   0.9
ASSIGN (RESID  43 AND NAME HA   ) (RESID  43 AND NAME HD2  )    4.0   2.2   1.2
ASSIGN (RESID  43 AND NAME HA   ) (RESID  46 AND NAME HN   )    3.6   1.8   1.1
ASSIGN (RESID  43 AND NAME HA   ) (RESID  46 AND NAME HB1  )    2.0   0.5   0.7
ASSIGN (RESID  43 AND NAME HA   ) (RESID  46 AND NAME HB2  )    3.0   1.2   0.9
ASSIGN (RESID  43 AND NAME HA   ) (RESID  46 AND NAME HD21 )    3.8   2.0   1.1
ASSIGN (RESID  43 AND NAME HA   ) (RESID  47 AND NAME HN   )    3.3   1.5   1.0
ASSIGN (RESID  43 AND NAME HB1  ) (RESID  43 AND NAME HG*  )    3.5   1.7   1.0
ASSIGN (RESID  43 AND NAME HB1  ) (RESID  43 AND NAME HD1  )    3.0   1.2   0.9
ASSIGN (RESID  43 AND NAME HB1  ) (RESID  43 AND NAME HE2  )    3.4   1.6   1.0
ASSIGN (RESID  43 AND NAME HB1  ) (RESID  44 AND NAME HN   )    3.3   1.5   1.0
ASSIGN (RESID  43 AND NAME HB1  ) (RESID  44 AND NAME HA   )    4.7   2.9   1.2
ASSIGN (RESID  43 AND NAME HB1  ) (RESID  47 AND NAME HA   )    4.9   3.1   1.3
ASSIGN (RESID  43 AND NAME HB2  ) (RESID  43 AND NAME HD1  )    2.1   0.3   0.6
ASSIGN (RESID  43 AND NAME HB2  ) (RESID  43 AND NAME HD2  )    2.6   0.8   0.8
ASSIGN (RESID  43 AND NAME HB2  ) (RESID  44 AND NAME HN   )    3.5   1.7   0.9
ASSIGN (RESID  43 AND NAME HB2  ) (RESID  44 AND NAME HA   )    3.7   1.9   1.1
ASSIGN (RESID  43 AND NAME HG*  ) (RESID  43 AND NAME HD1  )    3.6   1.8   1.1
ASSIGN (RESID  43 AND NAME HG*  ) (RESID  43 AND NAME HD2  )    2.9   1.1   0.9
ASSIGN (RESID  43 AND NAME HG*  ) (RESID  43 AND NAME HE1  )    5.4   3.6   1.6
ASSIGN (RESID  43 AND NAME HG*  ) (RESID  43 AND NAME HE2  )    3.5   1.7   1.1
ASSIGN (RESID  43 AND NAME HD1  ) (RESID  43 AND NAME HE1  )    2.5   0.7   0.8
ASSIGN (RESID  43 AND NAME HD1  ) (RESID  43 AND NAME HE2  )    2.4   0.6   0.7
ASSIGN (RESID  43 AND NAME HD2  ) (RESID  43 AND NAME HE1  )    2.8   1.0   0.8
ASSIGN (RESID  43 AND NAME HD2  ) (RESID  43 AND NAME HE2  )    2.9   1.1   0.9
ASSIGN (RESID  44 AND NAME HN   ) (RESID  44 AND NAME HA   )    2.7   0.9   0.8
ASSIGN (RESID  44 AND NAME HN   ) (RESID  44 AND NAME HB*  )    3.1   1.3   0.9
ASSIGN (RESID  44 AND NAME HN   ) (RESID  46 AND NAME HN   )    3.3   1.5   1.0
ASSIGN (RESID  44 AND NAME HA   ) (RESID  44 AND NAME HB*  )    4.0   2.2   1.2
ASSIGN (RESID  44 AND NAME HA   ) (RESID  45 AND NAME HN   )    3.1   1.3   0.9
ASSIGN (RESID  44 AND NAME HA   ) (RESID  45 AND NAME HB*  )    4.8   3.0   1.4
ASSIGN (RESID  44 AND NAME HA   ) (RESID  47 AND NAME HN   )    3.3   1.5   1.0
ASSIGN (RESID  44 AND NAME HA   ) (RESID  47 AND NAME HB1  )    3.8   2.0   1.1
ASSIGN (RESID  44 AND NAME HA   ) (RESID  48 AND NAME HN   )    4.3   2.5   1.2
ASSIGN (RESID  44 AND NAME HB*  ) (RESID  45 AND NAME HN   )    3.4   1.6   1.0
ASSIGN (RESID  44 AND NAME HB*  ) (RESID  47 AND NAME HN   )    5.5   3.7   1.6
ASSIGN (RESID  44 AND NAME HB*  ) (RESID  47 AND NAME HB2  )    5.4   3.6   1.6
ASSIGN (RESID  45 AND NAME HN   ) (RESID  45 AND NAME HA   )    4.5   2.7   1.3
ASSIGN (RESID  45 AND NAME HN   ) (RESID  45 AND NAME HB*  )    2.6   0.8   0.8
ASSIGN (RESID  45 AND NAME HN   ) (RESID  45 AND NAME HG*  )    4.1   2.3   1.2
ASSIGN (RESID  45 AND NAME HN   ) (RESID  46 AND NAME HN   )    2.6   0.8   0.8
ASSIGN (RESID  45 AND NAME HN   ) (RESID  47 AND NAME HN   )    4.5   2.7   1.3
ASSIGN (RESID  45 AND NAME HA   ) (RESID  45 AND NAME HB*  )    4.8   3.0   1.4
ASSIGN (RESID  45 AND NAME HA   ) (RESID  45 AND NAME HG*  )    5.0   3.2   1.5
ASSIGN (RESID  45 AND NAME HA   ) (RESID  45 AND NAME HD1  )    5.0   3.2   1.5
ASSIGN (RESID  45 AND NAME HA   ) (RESID  45 AND NAME HD2  )    2.8   1.0   0.8
ASSIGN (RESID  45 AND NAME HA   ) (RESID  46 AND NAME HN   )    4.9   3.1   1.5
ASSIGN (RESID  45 AND NAME HA   ) (RESID  48 AND NAME HN   )    3.2   1.4   1.0
ASSIGN (RESID  45 AND NAME HA   ) (RESID  48 AND NAME HB*  )    3.8   2.0   1.1
ASSIGN (RESID  45 AND NAME HA   ) (RESID  49 AND NAME HN   )    3.9   2.1   1.2
ASSIGN (RESID  45 AND NAME HA   ) (RESID  49 AND NAME HG   )    3.8   2.0   1.0
ASSIGN (RESID  45 AND NAME HB*  ) (RESID  45 AND NAME HG*  )    2.8   1.0   0.8
ASSIGN (RESID  45 AND NAME HB*  ) (RESID  45 AND NAME HD1  )    4.0   2.2   1.2
ASSIGN (RESID  45 AND NAME HB*  ) (RESID  45 AND NAME HD2  )    3.7   1.9   1.1
ASSIGN (RESID  45 AND NAME HB*  ) (RESID  46 AND NAME HN   )    3.3   1.5   1.0
ASSIGN (RESID  45 AND NAME HB*  ) (RESID  49 AND NAME HG   )    4.7   2.9   1.3
ASSIGN (RESID  45 AND NAME HB*  ) (RESID  49 AND NAME HD2* )    4.7   2.9   1.4
ASSIGN (RESID  45 AND NAME HG*  ) (RESID  45 AND NAME HD1  )    3.5   1.7   1.1
ASSIGN (RESID  45 AND NAME HG*  ) (RESID  45 AND NAME HD2  )    3.6   1.8   1.1
ASSIGN (RESID  45 AND NAME HG*  ) (RESID  46 AND NAME HN   )    5.4   3.6   1.6
ASSIGN (RESID  45 AND NAME HG*  ) (RESID  49 AND NAME HD1* )    3.6   1.8   1.1
ASSIGN (RESID  45 AND NAME HG*  ) (RESID  49 AND NAME HD2* )    3.8   2.0   1.1
ASSIGN (RESID  45 AND NAME HD1  ) (RESID  48 AND NAME HB*  )    5.0   3.2   1.5
ASSIGN (RESID  45 AND NAME HD2  ) (RESID  48 AND NAME HB*  )    4.5   2.7   1.3
ASSIGN (RESID  46 AND NAME HN   ) (RESID  46 AND NAME HA   )    3.2   1.4   1.0
ASSIGN (RESID  46 AND NAME HN   ) (RESID  46 AND NAME HB1  )    2.5   0.7   0.7
ASSIGN (RESID  46 AND NAME HN   ) (RESID  46 AND NAME HB2  )    2.3   0.5   0.7
ASSIGN (RESID  46 AND NAME HN   ) (RESID  46 AND NAME HD21 )    3.8   2.0   1.1
ASSIGN (RESID  46 AND NAME HN   ) (RESID  47 AND NAME HN   )    2.7   0.9   0.8
ASSIGN (RESID  46 AND NAME HN   ) (RESID  49 AND NAME HN   )    4.4   2.6   1.3
ASSIGN (RESID  46 AND NAME HA   ) (RESID  46 AND NAME HB1  )    3.7   1.9   1.1
ASSIGN (RESID  46 AND NAME HA   ) (RESID  46 AND NAME HB2  )    3.3   1.5   1.0
ASSIGN (RESID  46 AND NAME HA   ) (RESID  46 AND NAME HD21 )    3.6   1.8   1.0
ASSIGN (RESID  46 AND NAME HA   ) (RESID  49 AND NAME HN   )    3.2   1.4   1.0
ASSIGN (RESID  46 AND NAME HA   ) (RESID  49 AND NAME HB1  )    4.5   2.7   1.4
ASSIGN (RESID  46 AND NAME HA   ) (RESID  49 AND NAME HD1* )    4.5   2.7   1.4
ASSIGN (RESID  46 AND NAME HB1  ) (RESID  46 AND NAME HD21 )    2.9   1.1   0.9
ASSIGN (RESID  46 AND NAME HB1  ) (RESID  46 AND NAME HD22 )    3.8   2.0   1.1
ASSIGN (RESID  46 AND NAME HB1  ) (RESID  47 AND NAME HN   )    2.5   0.7   0.7
ASSIGN (RESID  46 AND NAME HB1  ) (RESID  47 AND NAME HA   )    4.5   2.7   1.3
ASSIGN (RESID  46 AND NAME HB2  ) (RESID  46 AND NAME HD21 )    2.9   1.1   0.8
ASSIGN (RESID  46 AND NAME HB2  ) (RESID  46 AND NAME HD22 )    4.3   2.5   1.3
ASSIGN (RESID  46 AND NAME HB2  ) (RESID  47 AND NAME HN   )    4.0   2.2   1.2
ASSIGN (RESID  46 AND NAME HD21 ) (RESID  50 AND NAME HE1  )    4.4   2.6   1.3
ASSIGN (RESID  46 AND NAME HD22 ) (RESID  50 AND NAME HE1  )    3.1   1.3   0.9
ASSIGN (RESID  47 AND NAME HN   ) (RESID  47 AND NAME HA   )    2.5   0.7   0.8
ASSIGN (RESID  47 AND NAME HN   ) (RESID  47 AND NAME HB1  )    2.6   0.8   0.8
ASSIGN (RESID  47 AND NAME HN   ) (RESID  47 AND NAME HB2  )    2.4   0.6   0.7
ASSIGN (RESID  47 AND NAME HN   ) (RESID  47 AND NAME HD*  )    4.5   2.7   1.4
ASSIGN (RESID  47 AND NAME HN   ) (RESID  48 AND NAME HN   )    2.6   0.8   0.8
ASSIGN (RESID  47 AND NAME HN   ) (RESID  48 AND NAME HB*  )    4.7   2.9   1.4
ASSIGN (RESID  47 AND NAME HN   ) (RESID  49 AND NAME HN   )    3.6   1.8   1.1
ASSIGN (RESID  47 AND NAME HA   ) (RESID  47 AND NAME HB1  )    3.1   1.3   0.9
ASSIGN (RESID  47 AND NAME HA   ) (RESID  47 AND NAME HB2  )    3.1   1.3   0.9
ASSIGN (RESID  47 AND NAME HA   ) (RESID  47 AND NAME HD*  )    5.0   3.2   1.5
ASSIGN (RESID  47 AND NAME HA   ) (RESID  47 AND NAME HE*  )    4.4   2.6   1.3
ASSIGN (RESID  47 AND NAME HA   ) (RESID  48 AND NAME HN   )    3.8   2.0   1.1
ASSIGN (RESID  47 AND NAME HA   ) (RESID  50 AND NAME HN   )    3.1   1.3   0.9
ASSIGN (RESID  47 AND NAME HA   ) (RESID  50 AND NAME HB2  )    2.6   0.8   0.8
ASSIGN (RESID  47 AND NAME HB1  ) (RESID  47 AND NAME HD*  )    3.1   1.3   0.9
ASSIGN (RESID  47 AND NAME HB1  ) (RESID  47 AND NAME HE*  )    5.1   3.3   1.5
ASSIGN (RESID  47 AND NAME HB1  ) (RESID  48 AND NAME HN   )    2.7   0.9   0.8
ASSIGN (RESID  47 AND NAME HB2  ) (RESID  47 AND NAME HD*  )    3.2   1.4   1.0
ASSIGN (RESID  47 AND NAME HB2  ) (RESID  47 AND NAME HE*  )    4.9   3.1   1.5
ASSIGN (RESID  47 AND NAME HB2  ) (RESID  48 AND NAME HN   )    3.5   1.7   1.1
ASSIGN (RESID  47 AND NAME HD*  ) (RESID  48 AND NAME HN   )    4.4   2.6   1.3
ASSIGN (RESID  47 AND NAME HD*  ) (RESID  48 AND NAME HB*  )    5.4   3.6   1.6
ASSIGN (RESID  47 AND NAME HD*  ) (RESID  50 AND NAME HD1  )    5.5   3.7   1.7
ASSIGN (RESID  47 AND NAME HE*  ) (RESID  48 AND NAME HA   )    4.4   2.6   1.3
ASSIGN (RESID  47 AND NAME HE*  ) (RESID  51 AND NAME HB1  )    4.7   2.9   1.4
ASSIGN (RESID  48 AND NAME HN   ) (RESID  48 AND NAME HB*  )    3.1   1.3   0.9
ASSIGN (RESID  48 AND NAME HN   ) (RESID  49 AND NAME HN   )    2.6   0.8   0.8
ASSIGN (RESID  48 AND NAME HN   ) (RESID  49 AND NAME HD1* )    5.5   3.7   1.7
ASSIGN (RESID  48 AND NAME HN   ) (RESID  50 AND NAME HN   )    3.6   1.8   1.1
ASSIGN (RESID  48 AND NAME HA   ) (RESID  48 AND NAME HB*  )    3.5   1.7   1.0
ASSIGN (RESID  48 AND NAME HA   ) (RESID  49 AND NAME HN   )    4.7   2.9   1.4
ASSIGN (RESID  48 AND NAME HA   ) (RESID  51 AND NAME HA   )    4.5   2.7   1.3
ASSIGN (RESID  48 AND NAME HA   ) (RESID  52 AND NAME HN   )    4.0   2.2   1.1
ASSIGN (RESID  48 AND NAME HB*  ) (RESID  49 AND NAME HN   )    3.6   1.8   1.1
ASSIGN (RESID  48 AND NAME HB*  ) (RESID  49 AND NAME HA   )    4.7   2.9   1.4
ASSIGN (RESID  48 AND NAME HB*  ) (RESID  49 AND NAME HG   )    3.6   1.8   1.1
ASSIGN (RESID  48 AND NAME HB*  ) (RESID  51 AND NAME HB1  )    4.3   2.5   1.3
ASSIGN (RESID  49 AND NAME HN   ) (RESID  49 AND NAME HA   )    3.5   1.7   1.0
ASSIGN (RESID  49 AND NAME HN   ) (RESID  49 AND NAME HB1  )    3.1   1.3   0.9
ASSIGN (RESID  49 AND NAME HN   ) (RESID  49 AND NAME HB2  )    2.6   0.8   0.8
ASSIGN (RESID  49 AND NAME HN   ) (RESID  49 AND NAME HG   )    2.5   0.7   0.7
ASSIGN (RESID  49 AND NAME HN   ) (RESID  49 AND NAME HD1* )    4.4   2.6   1.3
ASSIGN (RESID  49 AND NAME HN   ) (RESID  50 AND NAME HN   )    2.6   0.8   0.8
ASSIGN (RESID  49 AND NAME HN   ) (RESID  51 AND NAME HN   )    3.9   2.1   1.2
ASSIGN (RESID  49 AND NAME HN   ) (RESID  53 AND NAME HN   )    5.0   3.2   1.5
ASSIGN (RESID  49 AND NAME HA   ) (RESID  49 AND NAME HB1  )    2.8   1.0   0.8
ASSIGN (RESID  49 AND NAME HA   ) (RESID  49 AND NAME HG   )    3.9   2.1   1.2
ASSIGN (RESID  49 AND NAME HA   ) (RESID  49 AND NAME HD1* )    4.2   2.4   1.3
ASSIGN (RESID  49 AND NAME HA   ) (RESID  49 AND NAME HD2* )    3.1   1.3   0.9
ASSIGN (RESID  49 AND NAME HA   ) (RESID  52 AND NAME HN   )    3.2   1.4   0.9
ASSIGN (RESID  49 AND NAME HA   ) (RESID  52 AND NAME HB*  )    3.8   2.0   1.1
ASSIGN (RESID  49 AND NAME HA   ) (RESID  53 AND NAME HN   )    4.4   2.6   1.3
ASSIGN (RESID  49 AND NAME HB1  ) (RESID  49 AND NAME HG   )    2.3   0.5   0.7
ASSIGN (RESID  49 AND NAME HB1  ) (RESID  50 AND NAME HN   )    3.0   1.2   0.9
ASSIGN (RESID  49 AND NAME HB2  ) (RESID  49 AND NAME HG   )    2.5   0.7   0.8
ASSIGN (RESID  49 AND NAME HB2  ) (RESID  50 AND NAME HN   )    2.3   0.5   0.7
ASSIGN (RESID  49 AND NAME HB2  ) (RESID  53 AND NAME HA   )    4.3   2.6   1.2
ASSIGN (RESID  49 AND NAME HG   ) (RESID  49 AND NAME HD1* )    4.6   2.8   1.4
ASSIGN (RESID  49 AND NAME HG   ) (RESID  49 AND NAME HD2* )    3.5   1.7   1.0
ASSIGN (RESID  49 AND NAME HG   ) (RESID  50 AND NAME HA   )    4.7   2.9   1.2
ASSIGN (RESID  49 AND NAME HD1* ) (RESID  49 AND NAME HD2* )    4.3   2.5   1.3
ASSIGN (RESID  49 AND NAME HD1* ) (RESID  50 AND NAME HN   )    3.9   2.1   1.2
ASSIGN (RESID  49 AND NAME HD1* ) (RESID  52 AND NAME HD2  )    4.6   2.8   1.4
ASSIGN (RESID  50 AND NAME HN   ) (RESID  50 AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID  50 AND NAME HN   ) (RESID  50 AND NAME HB1  )    2.5   0.7   0.8
ASSIGN (RESID  50 AND NAME HN   ) (RESID  50 AND NAME HB2  )    2.5   0.7   0.8
ASSIGN (RESID  50 AND NAME HN   ) (RESID  50 AND NAME HG*  )    4.3   2.5   1.3
ASSIGN (RESID  50 AND NAME HN   ) (RESID  51 AND NAME HN   )    2.6   0.8   0.8
ASSIGN (RESID  50 AND NAME HA   ) (RESID  50 AND NAME HB1  )    2.8   1.0   0.9
ASSIGN (RESID  50 AND NAME HA   ) (RESID  50 AND NAME HB2  )    3.2   1.4   1.0
ASSIGN (RESID  50 AND NAME HA   ) (RESID  50 AND NAME HG*  )    3.3   1.5   1.0
ASSIGN (RESID  50 AND NAME HA   ) (RESID  50 AND NAME HE1  )    4.5   2.7   1.3
ASSIGN (RESID  50 AND NAME HA   ) (RESID  50 AND NAME HE2  )    4.0   2.2   1.2
ASSIGN (RESID  50 AND NAME HA   ) (RESID  51 AND NAME HN   )    3.3   1.5   1.0
ASSIGN (RESID  50 AND NAME HA   ) (RESID  52 AND NAME HN   )    4.7   2.9   1.4
ASSIGN (RESID  50 AND NAME HA   ) (RESID  53 AND NAME HN   )    3.6   1.8   1.1
ASSIGN (RESID  50 AND NAME HA   ) (RESID  53 AND NAME HA   )    4.5   2.7   1.3
ASSIGN (RESID  50 AND NAME HA   ) (RESID  53 AND NAME HB   )    3.5   1.7   1.0
ASSIGN (RESID  50 AND NAME HA   ) (RESID  53 AND NAME HG1* )    4.3   2.5   1.3
ASSIGN (RESID  50 AND NAME HA   ) (RESID  53 AND NAME HG2* )    3.6   1.8   1.1
ASSIGN (RESID  50 AND NAME HA   ) (RESID  54 AND NAME HN   )    4.8   3.0   1.3
ASSIGN (RESID  50 AND NAME HB1  ) (RESID  50 AND NAME HG*  )    2.8   1.0   0.8
ASSIGN (RESID  50 AND NAME HB1  ) (RESID  51 AND NAME HB1  )    3.8   2.0   1.1
ASSIGN (RESID  50 AND NAME HB2  ) (RESID  50 AND NAME HD2  )    2.7   0.9   0.8
ASSIGN (RESID  50 AND NAME HB2  ) (RESID  51 AND NAME HN   )    2.8   1.0   0.8
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  50 AND NAME HD2  )    5.5   3.7   1.7
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  50 AND NAME HE1  )    3.8   2.0   1.1
ASSIGN (RESID  50 AND NAME HG*  ) (RESID  50 AND NAME HE2  )    4.0   2.2   1.2
ASSIGN (RESID  50 AND NAME HD1  ) (RESID  50 AND NAME HE1  )    3.2   1.4   0.9
ASSIGN (RESID  50 AND NAME HD1  ) (RESID  50 AND NAME HE2  )    2.7   0.9   0.8
ASSIGN (RESID  50 AND NAME HD2  ) (RESID  50 AND NAME HE2  )    3.7   1.9   1.1
ASSIGN (RESID  51 AND NAME HN   ) (RESID  51 AND NAME HA   )    2.8   1.0   0.8
ASSIGN (RESID  51 AND NAME HN   ) (RESID  51 AND NAME HB1  )    2.3   0.5   0.7
ASSIGN (RESID  51 AND NAME HN   ) (RESID  52 AND NAME HN   )    2.1   0.3   0.6
ASSIGN (RESID  51 AND NAME HN   ) (RESID  53 AND NAME HN   )    4.9   3.1   1.5
ASSIGN (RESID  51 AND NAME HA   ) (RESID  51 AND NAME HB1  )    2.7   0.9   0.8
ASSIGN (RESID  51 AND NAME HA   ) (RESID  51 AND NAME HB2  )    3.8   2.0   1.1
ASSIGN (RESID  51 AND NAME HA   ) (RESID  52 AND NAME HN   )    4.6   2.8   1.4
ASSIGN (RESID  51 AND NAME HA   ) (RESID  53 AND NAME HN   )    4.4   2.6   1.3
ASSIGN (RESID  51 AND NAME HA   ) (RESID  54 AND NAME HG1  )    4.3   2.5   1.3
ASSIGN (RESID  51 AND NAME HA   ) (RESID  55 AND NAME HB*  )    5.5   3.7   1.7
ASSIGN (RESID  51 AND NAME HB1  ) (RESID  52 AND NAME HN   )    2.7   0.9   0.8
ASSIGN (RESID  51 AND NAME HB1  ) (RESID  52 AND NAME HG2  )    3.4   1.6   1.0
ASSIGN (RESID  52 AND NAME HN   ) (RESID  52 AND NAME HA   )    2.3   0.5   0.7
ASSIGN (RESID  52 AND NAME HN   ) (RESID  52 AND NAME HB*  )    2.6   0.8   0.8
ASSIGN (RESID  52 AND NAME HN   ) (RESID  52 AND NAME HG1  )    3.6   1.8   1.1
ASSIGN (RESID  52 AND NAME HN   ) (RESID  53 AND NAME HN   )    2.6   0.8   0.8
ASSIGN (RESID  52 AND NAME HN   ) (RESID  53 AND NAME HG2* )    5.5   3.7   1.7
ASSIGN (RESID  52 AND NAME HN   ) (RESID  54 AND NAME HN   )    4.1   2.3   1.2
ASSIGN (RESID  52 AND NAME HN   ) (RESID  56 AND NAME HN   )    4.9   3.1   1.3
ASSIGN (RESID  52 AND NAME HA   ) (RESID  52 AND NAME HB*  )    3.2   1.4   1.0
ASSIGN (RESID  52 AND NAME HA   ) (RESID  52 AND NAME HE*  )    4.9   3.1   1.5
ASSIGN (RESID  52 AND NAME HA   ) (RESID  53 AND NAME HN   )    3.2   1.4   1.0
ASSIGN (RESID  52 AND NAME HA   ) (RESID  53 AND NAME HA   )    4.5   2.7   1.3
ASSIGN (RESID  52 AND NAME HA   ) (RESID  55 AND NAME HN   )    2.6   0.8   0.8
ASSIGN (RESID  52 AND NAME HB*  ) (RESID  52 AND NAME HG2  )    3.3   1.5   1.0
ASSIGN (RESID  52 AND NAME HB*  ) (RESID  52 AND NAME HD1  )    3.0   1.2   0.9
ASSIGN (RESID  52 AND NAME HB*  ) (RESID  52 AND NAME HE*  )    5.0   3.2   1.5
ASSIGN (RESID  52 AND NAME HB*  ) (RESID  53 AND NAME HN   )    3.7   1.9   1.1
ASSIGN (RESID  52 AND NAME HG1  ) (RESID  52 AND NAME HD2  )    2.2   0.4   0.7
ASSIGN (RESID  52 AND NAME HG1  ) (RESID  52 AND NAME HE*  )    4.1   2.3   1.2
ASSIGN (RESID  52 AND NAME HG1  ) (RESID  53 AND NAME HN   )    4.0   2.2   1.2
ASSIGN (RESID  52 AND NAME HG1  ) (RESID  53 AND NAME HA   )    4.1   2.3   1.2
ASSIGN (RESID  52 AND NAME HG2  ) (RESID  52 AND NAME HD1  )    2.6   0.8   0.7
ASSIGN (RESID  52 AND NAME HG2  ) (RESID  52 AND NAME HD2  )    2.1   0.3   0.6
ASSIGN (RESID  52 AND NAME HG2  ) (RESID  52 AND NAME HE*  )    4.6   2.8   1.4
ASSIGN (RESID  52 AND NAME HG2  ) (RESID  53 AND NAME HN   )    4.7   2.9   1.4
ASSIGN (RESID  52 AND NAME HD2  ) (RESID  52 AND NAME HE*  )    3.4   1.6   1.0
ASSIGN (RESID  52 AND NAME HE*  ) (RESID  56 AND NAME HB1  )    4.7   2.9   1.4
ASSIGN (RESID  53 AND NAME HN   ) (RESID  53 AND NAME HA   )    2.5   0.7   0.7
ASSIGN (RESID  53 AND NAME HN   ) (RESID  53 AND NAME HB   )    2.3   0.5   0.7
ASSIGN (RESID  53 AND NAME HN   ) (RESID  53 AND NAME HG1* )    4.6   2.8   1.4
ASSIGN (RESID  53 AND NAME HN   ) (RESID  53 AND NAME HG2* )    3.7   1.9   1.1
ASSIGN (RESID  53 AND NAME HN   ) (RESID  54 AND NAME HN   )    2.7   0.9   0.8
ASSIGN (RESID  53 AND NAME HN   ) (RESID  55 AND NAME HN   )    4.1   2.3   1.2
ASSIGN (RESID  53 AND NAME HN   ) (RESID  56 AND NAME HN   )    4.0   2.2   1.2
ASSIGN (RESID  53 AND NAME HA   ) (RESID  53 AND NAME HB   )    3.2   1.4   1.0
ASSIGN (RESID  53 AND NAME HA   ) (RESID  53 AND NAME HG1* )    3.6   1.8   1.1
ASSIGN (RESID  53 AND NAME HA   ) (RESID  53 AND NAME HG2* )    3.1   1.3   0.9
ASSIGN (RESID  53 AND NAME HA   ) (RESID  54 AND NAME HN   )    3.0   1.2   0.9
ASSIGN (RESID  53 AND NAME HA   ) (RESID  55 AND NAME HN   )    5.0   3.2   1.5
ASSIGN (RESID  53 AND NAME HA   ) (RESID  56 AND NAME HN   )    3.1   1.3   0.9
ASSIGN (RESID  53 AND NAME HA   ) (RESID  56 AND NAME HB1  )    3.9   2.1   1.2
ASSIGN (RESID  53 AND NAME HA   ) (RESID  56 AND NAME HB2  )    2.6   0.8   0.8
ASSIGN (RESID  53 AND NAME HA   ) (RESID  56 AND NAME HG   )    3.8   2.0   1.2
ASSIGN (RESID  53 AND NAME HA   ) (RESID  56 AND NAME HD1* )    4.6   2.8   1.4
ASSIGN (RESID  53 AND NAME HA   ) (RESID  57 AND NAME HN   )    3.7   1.9   1.0
ASSIGN (RESID  53 AND NAME HB   ) (RESID  53 AND NAME HG1* )    4.3   2.5   1.3
ASSIGN (RESID  53 AND NAME HB   ) (RESID  54 AND NAME HN   )    2.8   1.0   0.8
ASSIGN (RESID  53 AND NAME HB   ) (RESID  54 AND NAME HG2  )    3.4   1.6   1.0
ASSIGN (RESID  53 AND NAME HG1* ) (RESID  53 AND NAME HG2* )    3.0   1.2   0.9
ASSIGN (RESID  53 AND NAME HG1* ) (RESID  54 AND NAME HN   )    4.0   2.2   1.2
ASSIGN (RESID  53 AND NAME HG1* ) (RESID  54 AND NAME HA   )    4.9   3.1   1.5
ASSIGN (RESID  53 AND NAME HG1* ) (RESID  57 AND NAME HD1  )    4.1   2.3   1.2
ASSIGN (RESID  53 AND NAME HG1* ) (RESID  57 AND NAME HD2  )    4.1   2.3   1.2
ASSIGN (RESID  53 AND NAME HG2* ) (RESID  54 AND NAME HN   )    4.0   2.2   1.2
ASSIGN (RESID  54 AND NAME HN   ) (RESID  54 AND NAME HA   )    2.7   0.9   0.8
ASSIGN (RESID  54 AND NAME HN   ) (RESID  54 AND NAME HB*  )    3.2   1.4   1.0
ASSIGN (RESID  54 AND NAME HN   ) (RESID  54 AND NAME HG1  )    3.8   2.0   1.1
ASSIGN (RESID  54 AND NAME HN   ) (RESID  54 AND NAME HG2  )    3.4   1.6   1.0
ASSIGN (RESID  54 AND NAME HN   ) (RESID  55 AND NAME HN   )    3.9   2.1   1.2
ASSIGN (RESID  54 AND NAME HN   ) (RESID  56 AND NAME HN   )    3.7   1.9   1.1
ASSIGN (RESID  54 AND NAME HA   ) (RESID  54 AND NAME HB*  )    3.0   1.2   0.9
ASSIGN (RESID  54 AND NAME HA   ) (RESID  54 AND NAME HG1  )    3.1   1.3   0.9
ASSIGN (RESID  54 AND NAME HA   ) (RESID  54 AND NAME HG2  )    3.2   1.4   0.9
ASSIGN (RESID  54 AND NAME HA   ) (RESID  56 AND NAME HN   )    3.6   1.8   1.0
ASSIGN (RESID  54 AND NAME HA   ) (RESID  57 AND NAME HN   )    3.4   1.6   1.0
ASSIGN (RESID  54 AND NAME HA   ) (RESID  57 AND NAME HB1  )    3.7   1.9   1.0
ASSIGN (RESID  54 AND NAME HA   ) (RESID  57 AND NAME HB2  )    3.7   1.9   1.1
ASSIGN (RESID  54 AND NAME HA   ) (RESID  57 AND NAME HD1  )    3.1   1.3   0.9
ASSIGN (RESID  54 AND NAME HB*  ) (RESID  54 AND NAME HG1  )    2.9   1.1   0.9
ASSIGN (RESID  54 AND NAME HB*  ) (RESID  54 AND NAME HG2  )    2.7   0.9   0.8
ASSIGN (RESID  54 AND NAME HB*  ) (RESID  55 AND NAME HN   )    3.7   1.9   1.1
ASSIGN (RESID  54 AND NAME HB*  ) (RESID  57 AND NAME HB2  )    5.3   3.5   1.4
ASSIGN (RESID  54 AND NAME HG1  ) (RESID  55 AND NAME HN   )    4.0   2.2   1.2
ASSIGN (RESID  54 AND NAME HG2  ) (RESID  55 AND NAME HN   )    5.0   3.2   1.5
ASSIGN (RESID  55 AND NAME HN   ) (RESID  55 AND NAME HA   )    4.8   3.0   1.4
ASSIGN (RESID  55 AND NAME HN   ) (RESID  55 AND NAME HB*  )    3.2   1.4   0.9
ASSIGN (RESID  55 AND NAME HN   ) (RESID  56 AND NAME HN   )    2.5   0.7   0.7
ASSIGN (RESID  55 AND NAME HA   ) (RESID  58 AND NAME HB1  )    4.0   2.2   1.2
ASSIGN (RESID  55 AND NAME HA   ) (RESID  58 AND NAME HB2  )    3.7   1.9   1.1
ASSIGN (RESID  55 AND NAME HB*  ) (RESID  56 AND NAME HN   )    5.5   3.7   1.7
ASSIGN (RESID  56 AND NAME HN   ) (RESID  56 AND NAME HA   )    3.1   1.3   0.9
ASSIGN (RESID  56 AND NAME HN   ) (RESID  56 AND NAME HB2  )    2.3   0.5   0.7
ASSIGN (RESID  56 AND NAME HN   ) (RESID  56 AND NAME HG   )    2.6   0.8   0.8
ASSIGN (RESID  56 AND NAME HN   ) (RESID  56 AND NAME HD1* )    4.2   2.4   1.3
ASSIGN (RESID  56 AND NAME HA   ) (RESID  56 AND NAME HB1  )    2.7   0.9   0.8
ASSIGN (RESID  56 AND NAME HA   ) (RESID  56 AND NAME HB2  )    2.4   0.6   0.7
ASSIGN (RESID  56 AND NAME HA   ) (RESID  56 AND NAME HG   )    3.1   1.3   0.9
ASSIGN (RESID  56 AND NAME HA   ) (RESID  56 AND NAME HD2* )    4.1   2.3   1.2
ASSIGN (RESID  56 AND NAME HA   ) (RESID  57 AND NAME HN   )    2.8   1.0   0.8
ASSIGN (RESID  56 AND NAME HA   ) (RESID  58 AND NAME HN   )    3.9   2.1   1.2
ASSIGN (RESID  56 AND NAME HB1  ) (RESID  56 AND NAME HD1* )    3.1   1.3   0.9
ASSIGN (RESID  56 AND NAME HB1  ) (RESID  56 AND NAME HD2* )    5.5   3.7   1.7
ASSIGN (RESID  56 AND NAME HB1  ) (RESID  57 AND NAME HA   )    3.8   2.0   1.1
ASSIGN (RESID  56 AND NAME HB2  ) (RESID  57 AND NAME HN   )    2.3   0.5   0.7
ASSIGN (RESID  56 AND NAME HG   ) (RESID  56 AND NAME HD1* )    3.5   1.7   1.1
ASSIGN (RESID  56 AND NAME HG   ) (RESID  57 AND NAME HN   )    3.8   2.0   1.0
ASSIGN (RESID  56 AND NAME HG   ) (RESID  57 AND NAME HD1  )    4.6   2.8   1.2
ASSIGN (RESID  56 AND NAME HD1* ) (RESID  56 AND NAME HD2* )    2.6   0.8   0.8
ASSIGN (RESID  56 AND NAME HD2* ) (RESID  59 AND NAME HB1  )    5.5   3.7   1.7
ASSIGN (RESID  57 AND NAME HN   ) (RESID  57 AND NAME HA   )    4.8   3.0   1.4
ASSIGN (RESID  57 AND NAME HN   ) (RESID  57 AND NAME HB1  )    2.4   0.6   0.7
ASSIGN (RESID  57 AND NAME HN   ) (RESID  57 AND NAME HB2  )    4.0   2.2   1.2
ASSIGN (RESID  57 AND NAME HN   ) (RESID  57 AND NAME HG*  )    3.9   2.1   1.2
ASSIGN (RESID  57 AND NAME HN   ) (RESID  58 AND NAME HN   )    2.7   0.9   0.8
ASSIGN (RESID  57 AND NAME HA   ) (RESID  57 AND NAME HB1  )    2.9   1.1   0.9
ASSIGN (RESID  57 AND NAME HA   ) (RESID  57 AND NAME HB2  )    4.2   2.4   1.2
ASSIGN (RESID  57 AND NAME HA   ) (RESID  57 AND NAME HG*  )    3.4   1.6   1.0
ASSIGN (RESID  57 AND NAME HB1  ) (RESID  57 AND NAME HG*  )    3.4   1.6   1.0
ASSIGN (RESID  57 AND NAME HB1  ) (RESID  57 AND NAME HD1  )    2.5   0.7   0.8
ASSIGN (RESID  57 AND NAME HB1  ) (RESID  57 AND NAME HD2  )    2.8   1.0   0.8
ASSIGN (RESID  57 AND NAME HB1  ) (RESID  58 AND NAME HN   )    5.0   3.2   1.5
ASSIGN (RESID  57 AND NAME HB2  ) (RESID  57 AND NAME HG*  )    2.9   1.1   0.9
ASSIGN (RESID  57 AND NAME HB2  ) (RESID  57 AND NAME HD1  )    3.0   1.2   0.9
ASSIGN (RESID  57 AND NAME HB2  ) (RESID  57 AND NAME HD2  )    2.8   1.0   0.8
ASSIGN (RESID  57 AND NAME HG*  ) (RESID  57 AND NAME HD1  )    4.1   2.3   1.2
ASSIGN (RESID  57 AND NAME HG*  ) (RESID  57 AND NAME HD2  )    3.8   2.0   1.1
ASSIGN (RESID  58 AND NAME HN   ) (RESID  58 AND NAME HB1  )    3.4   1.6   1.0
ASSIGN (RESID  58 AND NAME HN   ) (RESID  58 AND NAME HB2  )    3.3   1.5   1.0
ASSIGN (RESID  58 AND NAME HN   ) (RESID  59 AND NAME HN   )    3.8   2.0   1.1
ASSIGN (RESID  58 AND NAME HB1  ) (RESID  58 AND NAME HD2  )    5.0   3.2   1.5
ASSIGN (RESID  58 AND NAME HB2  ) (RESID  58 AND NAME HD2  )    3.9   2.1   1.2
ASSIGN (RESID  58 AND NAME HB2  ) (RESID  59 AND NAME HB2  )    4.4   2.6   1.3
ASSIGN (RESID  59 AND NAME HN   ) (RESID  59 AND NAME HA   )    3.0   1.2   0.9
ASSIGN (RESID  59 AND NAME HN   ) (RESID  59 AND NAME HB1  )    2.6   0.8   0.8
ASSIGN (RESID  59 AND NAME HN   ) (RESID  59 AND NAME HD*  )    4.7   2.9   1.4
ASSIGN (RESID  59 AND NAME HA   ) (RESID  59 AND NAME HB1  )    3.4   1.6   1.0
ASSIGN (RESID  59 AND NAME HB1  ) (RESID  59 AND NAME HG2  )    2.7   0.9   0.8
ASSIGN (RESID  59 AND NAME HB2  ) (RESID  59 AND NAME HG2  )    2.9   1.1   0.9
ASSIGN (RESID  59 AND NAME HG1  ) (RESID  59 AND NAME HD*  )    2.8   1.0   0.9
ASSIGN (RESID  59 AND NAME HG2  ) (RESID  59 AND NAME HD*  )    3.0   1.2   0.9
ASSIGN (RESID  60 AND NAME HN   ) (RESID  60 AND NAME HA*  )    3.9   2.1   1.2

{*dihedral restraints*}

{*J-HN-HA < 6 Hz*}
       assign ( resid 1A and name c )
              ( resid  1 and name n )
              ( resid  1 and name ca )
              ( resid  1 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid  1 and name c )
              ( resid  2 and name n )
              ( resid  2 and name ca )
              ( resid  2 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid  2 and name c )
              ( resid  3 and name n )
              ( resid  3 and name ca )
              ( resid  3 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid  3 and name c )
              ( resid  4 and name n )
              ( resid  4 and name ca )
              ( resid  4 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid  5 and name c )
              ( resid  6 and name n )
              ( resid  6 and name ca )
              ( resid  6 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid  7 and name c )
              ( resid  8 and name n )
              ( resid  8 and name ca )
              ( resid  8 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid  8 and name c )
              ( resid  9 and name n )
              ( resid  9 and name ca )
              ( resid  9 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid  9 and name c )
              ( resid 10 and name n )
              ( resid 10 and name ca )
              ( resid 10 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 10 and name c )
              ( resid 11 and name n )
              ( resid 11 and name ca )
              ( resid 11 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 12 and name c )
              ( resid 13 and name n )
              ( resid 13 and name ca )
              ( resid 13 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 13 and name c )
              ( resid 14 and name n )
              ( resid 14 and name ca )
              ( resid 14 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 14 and name c )
              ( resid 15 and name n )
              ( resid 15 and name ca )
              ( resid 15 and name c ) 1.0 -60.0 30.0 2
{*J-HN-HA < 6 Hz*}
       assign ( resid 15 and name c )
              ( resid 16 and name n )
              ( resid 16 and name ca )
              ( resid 16 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 16 and name c )
              ( resid 17 and name n )
              ( resid 17 and name ca )
              ( resid 17 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 17 and name c )
              ( resid 18 and name n )
              ( resid 18 and name ca )
              ( resid 18 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 19 and name c )
              ( resid 20 and name n )
              ( resid 20 and name ca )
              ( resid 20 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 21 and name c )
              ( resid 22 and name n )
              ( resid 22 and name ca )
              ( resid 22 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 22 and name c )
              ( resid 23 and name n )
              ( resid 23 and name ca )
              ( resid 23 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 26 and name c )
              ( resid 27 and name n )
              ( resid 27 and name ca )
              ( resid 27 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 27 and name c )
              ( resid 28 and name n )
              ( resid 28 and name ca )
              ( resid 28 and name c ) 1.0 -60.0 30.0 2
{*J-HN-HA < 6 Hz*}
       assign ( resid 28 and name c )
              ( resid 29 and name n )
              ( resid 29 and name ca )
              ( resid 29 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 31A and name c )
              ( resid 31 and name n )
              ( resid 31 and name ca )
              ( resid 31 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 31 and name c )
              ( resid 32 and name n )
              ( resid 32 and name ca )
              ( resid 33 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 32 and name c )
              ( resid 33 and name n )
              ( resid 33 and name ca )
              ( resid 33 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 33 and name c )
              ( resid 34 and name n )
              ( resid 34 and name ca )
              ( resid 34 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 35 and name c )
              ( resid 36 and name n )
              ( resid 36 and name ca )
              ( resid 36 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 36 and name c )
              ( resid 37 and name n )
              ( resid 37 and name ca )
              ( resid 37 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 37 and name c )
              ( resid 38 and name n )
              ( resid 38 and name ca )
              ( resid 38 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 38 and name c )
              ( resid 39 and name n )
              ( resid 39 and name ca )
              ( resid 39 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 39 and name c )
              ( resid 40 and name n )
              ( resid 40 and name ca )
              ( resid 40 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 40 and name c )
              ( resid 41 and name n )
              ( resid 41 and name ca )
              ( resid 41 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 42 and name c )
              ( resid 43 and name n )
              ( resid 43 and name ca )
              ( resid 43 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 43 and name c )
              ( resid 44 and name n )
              ( resid 44 and name ca )
              ( resid 44 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 44 and name c )
              ( resid 45 and name n )
              ( resid 45 and name ca )
              ( resid 45 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 45 and name c )
              ( resid 46 and name n )
              ( resid 46 and name ca )
              ( resid 46 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 46 and name c )
              ( resid 47 and name n )
              ( resid 47 and name ca )
              ( resid 47 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 49 and name c )
              ( resid 50 and name n )
              ( resid 50 and name ca )
              ( resid 50 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 50 and name c )
              ( resid 51 and name n )
              ( resid 51 and name ca )
              ( resid 51 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 51 and name c )
              ( resid 52 and name n )
              ( resid 52 and name ca )
              ( resid 52 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 52 and name c )
              ( resid 53 and name n )
              ( resid 53 and name ca )
              ( resid 53 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 53 and name c )
              ( resid 54 and name n )
              ( resid 54 and name ca )
              ( resid 54 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 54 and name c )
              ( resid 55 and name n )
              ( resid 55 and name ca )
              ( resid 55 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 57 and name c )
              ( resid 58 and name n )
              ( resid 58 and name ca )
              ( resid 58 and name c ) 1.0 -60.0 30.0 2

{*J-HN-HA < 6 Hz*}
       assign ( resid 58 and name c )
              ( resid 59 and name n )
              ( resid 59 and name ca )
              ( resid 59 and name c ) 1.0 -60.0 30.0 2





  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ACE   0          1H        ACE   0 -21.416   5.867  -5.525
    2   2H    ACE   0          2H        ACE   0 -22.021   4.566  -4.500
    3   3H    ACE   0          3H        ACE   0 -22.369   4.559  -6.228
    4    H    GLU   1           H        GLU   1 -19.457   4.907  -4.183
    5    HA   GLU   1           HA       GLU   1 -17.945   3.301  -6.077
    6   1HB   GLU   1          1HB       GLU   1 -17.337   5.409  -4.263
    7   2HB   GLU   1          2HB       GLU   1 -16.382   4.008  -3.800
    8   1HG   GLU   1          1HG       GLU   1 -15.069   4.145  -5.607
    9   2HG   GLU   1          2HG       GLU   1 -16.404   4.574  -6.675
   10    H    VAL   2           H        VAL   2 -20.025   2.183  -4.248
   11    HA   VAL   2           HA       VAL   2 -18.804   0.647  -2.242
   12    HB   VAL   2           HB       VAL   2 -21.394   0.493  -3.717
   13   1HG1  VAL   2          1HG1      VAL   2 -20.148  -1.693  -2.217
   14   2HG1  VAL   2          2HG1      VAL   2 -21.762  -1.271  -1.649
   15   3HG1  VAL   2          3HG1      VAL   2 -21.508  -1.716  -3.337
   16   1HG2  VAL   2          1HG2      VAL   2 -20.455   1.321  -1.000
   17   2HG2  VAL   2          2HG2      VAL   2 -21.575   2.128  -2.096
   18   3HG2  VAL   2          3HG2      VAL   2 -22.104   0.724  -1.169
   19    H    ALA   3           H        ALA   3 -19.443   0.034  -5.618
   20    HA   ALA   3           HA       ALA   3 -18.397  -2.652  -5.483
   21   1HB   ALA   3          1HB       ALA   3 -20.268  -1.840  -7.019
   22   2HB   ALA   3          2HB       ALA   3 -18.990  -1.106  -7.987
   23   3HB   ALA   3          3HB       ALA   3 -19.015  -2.852  -7.736
   24    H    GLN   4           H        GLN   4 -17.126   0.394  -5.490
   25    HA   GLN   4           HA       GLN   4 -14.806  -0.184  -7.131
   26   1HB   GLN   4          1HB       GLN   4 -15.961   2.228  -5.844
   27   2HB   GLN   4          2HB       GLN   4 -14.213   2.192  -6.031
   28   1HG   GLN   4          1HG       GLN   4 -15.687   1.408  -8.429
   29   2HG   GLN   4          2HG       GLN   4 -15.980   3.066  -7.905
   30   1HE2  GLN   4          2HE2      GLN   4 -13.651   3.926  -6.976
   31   2HE2  GLN   4          1HE2      GLN   4 -12.423   3.872  -8.190
   32    H    LEU   5           H        LEU   5 -15.643   0.322  -3.700
   33    HA   LEU   5           HA       LEU   5 -13.025   0.240  -2.698
   34   1HB   LEU   5          1HB       LEU   5 -15.485  -0.854  -1.338
   35   2HB   LEU   5          2HB       LEU   5 -13.960  -0.513  -0.565
   36    HG   LEU   5           HG       LEU   5 -16.181   1.293  -1.257
   37   1HD1  LEU   5          1HD1      LEU   5 -14.228   0.823   0.900
   38   2HD1  LEU   5          2HD1      LEU   5 -14.867   2.449   0.725
   39   3HD1  LEU   5          3HD1      LEU   5 -15.965   1.095   0.977
   40   1HD2  LEU   5          1HD2      LEU   5 -13.317   2.224  -1.486
   41   2HD2  LEU   5          2HD2      LEU   5 -14.518   2.205  -2.778
   42   3HD2  LEU   5          3HD2      LEU   5 -14.734   3.271  -1.390
   43    H    GLU   6           H        GLU   6 -15.361  -2.343  -3.334
   44    HA   GLU   6           HA       GLU   6 -13.979  -4.517  -2.329
   45   1HB   GLU   6          1HB       GLU   6 -15.821  -4.179  -4.658
   46   2HB   GLU   6          2HB       GLU   6 -15.069  -5.738  -4.366
   47   1HG   GLU   6          1HG       GLU   6 -16.679  -4.261  -2.300
   48   2HG   GLU   6          2HG       GLU   6 -17.366  -5.446  -3.410
   49    H    LYS   7           H        LYS   7 -13.323  -2.609  -5.142
   50    HA   LYS   7           HA       LYS   7 -11.250  -4.485  -6.000
   51   1HB   LYS   7          1HB       LYS   7 -11.533  -2.150  -7.699
   52   2HB   LYS   7          2HB       LYS   7 -11.661  -3.852  -8.113
   53   1HG   LYS   7          1HG       LYS   7 -13.908  -2.299  -6.851
   54   2HG   LYS   7          2HG       LYS   7 -13.684  -2.443  -8.594
   55   1HD   LYS   7          1HD       LYS   7 -13.946  -4.798  -6.731
   56   2HD   LYS   7          2HD       LYS   7 -15.300  -4.082  -7.613
   57   1HE   LYS   7          1HE       LYS   7 -13.815  -4.447  -9.701
   58   2HE   LYS   7          2HE       LYS   7 -12.922  -5.567  -8.673
   59   1HZ   LYS   7          1HZ       LYS   7 -15.791  -5.913  -8.627
   60   2HZ   LYS   7          2HZ       LYS   7 -15.075  -6.229 -10.126
   61   3HZ   LYS   7          3HZ       LYS   7 -14.561  -7.069  -8.751
   62    H    GLU   8           H        GLU   8 -11.758  -1.400  -4.543
   63    HA   GLU   8           HA       GLU   8  -9.212  -0.266  -5.062
   64   1HB   GLU   8          1HB       GLU   8 -11.252   0.991  -4.310
   65   2HB   GLU   8          2HB       GLU   8 -11.017   0.304  -2.709
   66   1HG   GLU   8          1HG       GLU   8  -9.022   1.482  -2.374
   67   2HG   GLU   8          2HG       GLU   8  -8.868   1.875  -4.085
   68    H    VAL   9           H        VAL   9 -10.329  -2.667  -2.849
   69    HA   VAL   9           HA       VAL   9  -8.125  -2.368  -1.008
   70    HB   VAL   9           HB       VAL   9 -10.235  -4.517  -1.269
   71   1HG1  VAL   9          1HG1      VAL   9  -7.760  -4.450   0.294
   72   2HG1  VAL   9          2HG1      VAL   9  -9.206  -4.778   1.249
   73   3HG1  VAL   9          3HG1      VAL   9  -8.803  -5.809  -0.123
   74   1HG2  VAL   9          1HG2      VAL   9  -9.845  -2.277   0.712
   75   2HG2  VAL   9          2HG2      VAL   9 -11.103  -2.386  -0.519
   76   3HG2  VAL   9          3HG2      VAL   9 -11.084  -3.527   0.825
   77    H    ALA  10           H        ALA  10  -9.139  -4.869  -3.343
   78    HA   ALA  10           HA       ALA  10  -6.859  -6.468  -3.168
   79   1HB   ALA  10          1HB       ALA  10  -9.181  -6.650  -4.526
   80   2HB   ALA  10          2HB       ALA  10  -8.081  -6.235  -5.841
   81   3HB   ALA  10          3HB       ALA  10  -7.774  -7.663  -4.851
   82    H    GLN  11           H        GLN  11  -7.360  -3.401  -4.669
   83    HA   GLN  11           HA       GLN  11  -5.233  -3.473  -6.538
   84   1HB   GLN  11          1HB       GLN  11  -7.048  -1.847  -6.712
   85   2HB   GLN  11          2HB       GLN  11  -6.574  -1.127  -5.181
   86   1HG   GLN  11          1HG       GLN  11  -4.259  -0.990  -6.631
   87   2HG   GLN  11          2HG       GLN  11  -5.497  -0.728  -7.858
   88   1HE2  GLN  11          2HE2      GLN  11  -4.881   1.416  -8.137
   89   2HE2  GLN  11          1HE2      GLN  11  -5.247   2.637  -6.971
   90    H    LEU  12           H        LEU  12  -5.483  -1.936  -3.318
   91    HA   LEU  12           HA       LEU  12  -2.668  -1.379  -3.244
   92   1HB   LEU  12          1HB       LEU  12  -4.638  -1.309  -0.959
   93   2HB   LEU  12          2HB       LEU  12  -3.062  -0.544  -1.014
   94    HG   LEU  12           HG       LEU  12  -5.309   0.203  -2.877
   95   1HD1  LEU  12          1HD1      LEU  12  -5.963   0.609  -0.549
   96   2HD1  LEU  12          2HD1      LEU  12  -4.483   1.532  -0.305
   97   3HD1  LEU  12          3HD1      LEU  12  -5.705   2.113  -1.433
   98   1HD2  LEU  12          1HD2      LEU  12  -2.687   1.504  -2.155
   99   2HD2  LEU  12          2HD2      LEU  12  -3.135   0.806  -3.712
  100   3HD2  LEU  12          3HD2      LEU  12  -3.946   2.261  -3.132
  101    H    GLU  13           H        GLU  13  -4.819  -3.697  -1.613
  102    HA   GLU  13           HA       GLU  13  -3.047  -4.919   0.089
  103   1HB   GLU  13          1HB       GLU  13  -5.459  -5.832  -1.383
  104   2HB   GLU  13          2HB       GLU  13  -4.440  -7.079  -0.678
  105   1HG   GLU  13          1HG       GLU  13  -4.645  -6.002   1.510
  106   2HG   GLU  13          2HG       GLU  13  -5.687  -4.771   0.799
  107    H    ALA  14           H        ALA  14  -3.179  -5.128  -3.379
  108    HA   ALA  14           HA       ALA  14  -1.399  -7.399  -3.535
  109   1HB   ALA  14          1HB       ALA  14  -3.239  -6.747  -5.217
  110   2HB   ALA  14          2HB       ALA  14  -2.058  -5.591  -5.833
  111   3HB   ALA  14          3HB       ALA  14  -1.692  -7.317  -5.843
  112    H    GLU  15           H        GLU  15  -1.205  -3.908  -3.707
  113    HA   GLU  15           HA       GLU  15   1.588  -3.955  -4.512
  114   1HB   GLU  15          1HB       GLU  15  -0.104  -2.217  -5.289
  115   2HB   GLU  15          2HB       GLU  15  -0.019  -1.546  -3.666
  116   1HG   GLU  15          1HG       GLU  15   1.425  -0.298  -5.109
  117   2HG   GLU  15          2HG       GLU  15   2.407  -1.215  -3.967
  118    H    ASN  16           H        ASN  16  -0.269  -2.628  -1.768
  119    HA   ASN  16           HA       ASN  16   1.774  -1.869  -0.115
  120   1HB   ASN  16          1HB       ASN  16  -0.538  -1.434   0.439
  121   2HB   ASN  16          2HB       ASN  16  -0.874  -3.151   0.604
  122   1HD2  ASN  16          2HD2      ASN  16  -1.052  -0.801   2.441
  123   2HD2  ASN  16          1HD2      ASN  16  -0.212  -1.289   3.868
  124    H    TYR  17           H        TYR  17   0.598  -5.120  -0.729
  125    HA   TYR  17           HA       TYR  17   2.198  -6.314   1.348
  126   1HB   TYR  17          1HB       TYR  17   0.132  -7.402   0.798
  127   2HB   TYR  17          2HB       TYR  17   0.561  -7.483  -0.907
  128    HD1  TYR  17           HD1      TYR  17   1.442  -8.800   2.447
  129    HD2  TYR  17           HD2      TYR  17   1.765  -9.320  -1.763
  130    HE1  TYR  17           HE1      TYR  17   2.402 -11.036   2.802
  131    HE2  TYR  17           HE2      TYR  17   2.725 -11.557  -1.420
  132    HH   TYR  17           HH       TYR  17   2.714 -13.317   0.341
  133    H    GLN  18           H        GLN  18   2.457  -5.788  -2.114
  134    HA   GLN  18           HA       GLN  18   4.661  -7.508  -2.560
  135   1HB   GLN  18          1HB       GLN  18   3.004  -5.889  -4.125
  136   2HB   GLN  18          2HB       GLN  18   4.616  -5.224  -4.346
  137   1HG   GLN  18          1HG       GLN  18   4.114  -8.161  -4.611
  138   2HG   GLN  18          2HG       GLN  18   3.798  -7.055  -5.947
  139   1HE2  GLN  18          2HE2      GLN  18   5.385  -7.041  -7.351
  140   2HE2  GLN  18          1HE2      GLN  18   7.071  -7.159  -6.994
  141    H    LEU  19           H        LEU  19   4.386  -4.238  -1.384
  142    HA   LEU  19           HA       LEU  19   7.223  -3.715  -1.689
  143   1HB   LEU  19          1HB       LEU  19   5.162  -2.057  -0.251
  144   2HB   LEU  19          2HB       LEU  19   6.751  -1.539  -0.777
  145    HG   LEU  19           HG       LEU  19   4.414  -2.236  -2.556
  146   1HD1  LEU  19          1HD1      LEU  19   4.554   0.001  -1.256
  147   2HD1  LEU  19          2HD1      LEU  19   5.814   0.401  -2.422
  148   3HD1  LEU  19          3HD1      LEU  19   4.184   0.025  -2.980
  149   1HD2  LEU  19          1HD2      LEU  19   7.301  -1.911  -3.097
  150   2HD2  LEU  19          2HD2      LEU  19   6.081  -2.849  -3.958
  151   3HD2  LEU  19          3HD2      LEU  19   6.192  -1.107  -4.208
  152    H    GLU  20           H        GLU  20   4.923  -3.981   1.022
  153    HA   GLU  20           HA       GLU  20   6.612  -3.671   3.148
  154   1HB   GLU  20          1HB       GLU  20   4.021  -4.353   2.908
  155   2HB   GLU  20          2HB       GLU  20   4.684  -5.908   3.391
  156   1HG   GLU  20          1HG       GLU  20   5.700  -3.755   5.031
  157   2HG   GLU  20          2HG       GLU  20   3.939  -3.826   5.054
  158    H    GLN  21           H        GLN  21   6.422  -6.396   0.988
  159    HA   GLN  21           HA       GLN  21   8.027  -8.098   2.693
  160   1HB   GLN  21          1HB       GLN  21   6.210  -8.571   0.667
  161   2HB   GLN  21          2HB       GLN  21   7.753  -8.931  -0.093
  162   1HG   GLN  21          1HG       GLN  21   6.811 -10.932   0.859
  163   2HG   GLN  21          2HG       GLN  21   8.277 -10.483   1.730
  164   1HE2  GLN  21          2HE2      GLN  21   8.178 -10.175   3.866
  165   2HE2  GLN  21          1HE2      GLN  21   6.728 -10.205   4.805
  166    H    GLU  22           H        GLU  22   8.491  -5.946  -0.013
  167    HA   GLU  22           HA       GLU  22  11.207  -6.881  -0.470
  168   1HB   GLU  22          1HB       GLU  22   9.411  -5.923  -2.195
  169   2HB   GLU  22          2HB       GLU  22  10.179  -4.403  -1.757
  170   1HG   GLU  22          1HG       GLU  22  12.107  -4.910  -2.813
  171   2HG   GLU  22          2HG       GLU  22  11.985  -6.630  -2.447
  172    H    VAL  23           H        VAL  23   9.528  -4.182   0.993
  173    HA   VAL  23           HA       VAL  23  11.821  -2.532   1.354
  174    HB   VAL  23           HB       VAL  23   9.307  -2.434   3.015
  175   1HG1  VAL  23          1HG1      VAL  23  11.625  -0.675   2.560
  176   2HG1  VAL  23          2HG1      VAL  23  10.052   0.121   2.582
  177   3HG1  VAL  23          3HG1      VAL  23  10.576  -0.834   3.969
  178   1HG2  VAL  23          1HG2      VAL  23   9.470  -2.202   0.204
  179   2HG2  VAL  23          2HG2      VAL  23   8.093  -1.848   1.247
  180   3HG2  VAL  23          3HG2      VAL  23   9.245  -0.575   0.844
  181    H    ALA  24           H        ALA  24  10.344  -5.113   3.171
  182    HA   ALA  24           HA       ALA  24  11.511  -4.636   5.681
  183   1HB   ALA  24          1HB       ALA  24   9.654  -6.186   5.354
  184   2HB   ALA  24          2HB       ALA  24  10.710  -7.267   4.443
  185   3HB   ALA  24          3HB       ALA  24  11.010  -6.978   6.157
  186    H    GLN  25           H        GLN  25  12.890  -5.743   2.737
  187    HA   GLN  25           HA       GLN  25  15.273  -6.711   4.168
  188   1HB   GLN  25          1HB       GLN  25  14.228  -7.319   1.406
  189   2HB   GLN  25          2HB       GLN  25  15.849  -7.756   1.928
  190   1HG   GLN  25          1HG       GLN  25  15.104  -9.569   2.953
  191   2HG   GLN  25          2HG       GLN  25  13.909  -8.637   3.854
  192   1HE2  GLN  25          2HE2      GLN  25  12.127  -9.838   3.681
  193   2HE2  GLN  25          1HE2      GLN  25  11.401 -10.334   2.194
  194    H    LEU  26           H        LEU  26  14.148  -4.562   1.604
  195    HA   LEU  26           HA       LEU  26  16.594  -3.712   0.598
  196   1HB   LEU  26          1HB       LEU  26  13.932  -2.351   0.861
  197   2HB   LEU  26          2HB       LEU  26  15.306  -1.518   0.164
  198    HG   LEU  26           HG       LEU  26  14.041  -4.049  -0.885
  199   1HD1  LEU  26          1HD1      LEU  26  13.059  -1.584  -1.170
  200   2HD1  LEU  26          2HD1      LEU  26  14.236  -1.569  -2.483
  201   3HD1  LEU  26          3HD1      LEU  26  12.974  -2.801  -2.444
  202   1HD2  LEU  26          1HD2      LEU  26  16.471  -2.512  -1.765
  203   2HD2  LEU  26          2HD2      LEU  26  16.355  -4.219  -1.338
  204   3HD2  LEU  26          3HD2      LEU  26  15.606  -3.629  -2.821
  205    H    GLU  27           H        GLU  27  14.630  -1.952   3.010
  206    HA   GLU  27           HA       GLU  27  16.995  -0.467   3.829
  207   1HB   GLU  27          1HB       GLU  27  15.388   0.791   5.264
  208   2HB   GLU  27          2HB       GLU  27  14.995   0.833   3.552
  209   1HG   GLU  27          1HG       GLU  27  13.172  -0.586   3.806
  210   2HG   GLU  27          2HG       GLU  27  13.736  -1.181   5.367
  211    H    HIS  28           H        HIS  28  17.675  -2.838   4.517
  212    HA   HIS  28           HA       HIS  28  16.663  -3.721   7.049
  213   1HB   HIS  28          1HB       HIS  28  17.822  -5.106   5.169
  214   2HB   HIS  28          2HB       HIS  28  19.316  -4.572   5.932
  215    HD1  HIS  28           HD1      HIS  28  17.728  -7.531   5.855
  216    HD2  HIS  28           HD2      HIS  28  18.498  -4.983   9.044
  217    HE1  HIS  28           HE1      HIS  28  17.652  -8.961   7.940
  218    H    GLU  29           H        GLU  29  19.568  -2.018   5.951
  219    HA   GLU  29           HA       GLU  29  20.493  -1.698   8.691
  220   1HB   GLU  29          1HB       GLU  29  21.676  -1.515   6.029
  221   2HB   GLU  29          2HB       GLU  29  22.164  -0.190   7.076
  222   1HG   GLU  29          1HG       GLU  29  22.367  -3.089   7.846
  223   2HG   GLU  29          2HG       GLU  29  23.676  -2.171   7.102
  224    H    GLY  30           H        GLY  30  19.129   0.216   6.074
  225   1HA   GLY  30          1HA       GLY  30  19.417   2.701   7.532
  226   2HA   GLY  30          2HA       GLY  30  18.635   2.488   5.973
  227   1HN   NH2  31          1HN       NH2  31  18.120   1.321   9.292
  228   2HN   NH2  31          2HN       NH2  31  16.434   1.695   9.343
  229   1H    ACE   0          1H        ACE   0 -18.584  -0.923  -1.275
  230   2H    ACE   0          2H        ACE   0 -20.049  -0.500  -0.391
  231   3H    ACE   0          3H        ACE   0 -18.868  -1.588   0.330
  232    H    GLU   1           H        GLU   1 -18.607   1.613  -1.296
  233    HA   GLU   1           HA       GLU   1 -16.503   2.686  -0.023
  234   1HB   GLU   1          1HB       GLU   1 -18.216   4.809   0.205
  235   2HB   GLU   1          2HB       GLU   1 -17.236   4.447  -1.229
  236   1HG   GLU   1          1HG       GLU   1 -19.051   3.429  -2.331
  237   2HG   GLU   1          2HG       GLU   1 -19.993   3.316  -0.847
  238    H    VAL   2           H        VAL   2 -19.746   2.829   1.072
  239    HA   VAL   2           HA       VAL   2 -19.733   4.150   3.242
  240    HB   VAL   2           HB       VAL   2 -21.675   2.977   3.135
  241   1HG1  VAL   2          1HG1      VAL   2 -19.854   0.796   2.213
  242   2HG1  VAL   2          2HG1      VAL   2 -21.516   0.411   2.658
  243   3HG1  VAL   2          3HG1      VAL   2 -21.194   1.567   1.365
  244   1HG2  VAL   2          1HG2      VAL   2 -20.818   2.610   5.451
  245   2HG2  VAL   2          2HG2      VAL   2 -21.925   1.354   4.898
  246   3HG2  VAL   2          3HG2      VAL   2 -20.188   1.051   4.922
  247    H    GLN   3           H        GLN   3 -18.398   4.493   4.789
  248    HA   GLN   3           HA       GLN   3 -16.025   3.664   5.447
  249   1HB   GLN   3          1HB       GLN   3 -16.358   4.250   7.788
  250   2HB   GLN   3          2HB       GLN   3 -17.208   5.376   6.739
  251   1HG   GLN   3          1HG       GLN   3 -18.892   3.157   7.513
  252   2HG   GLN   3          2HG       GLN   3 -18.248   4.014   8.912
  253   1HE2  GLN   3          2HE2      GLN   3 -18.175   6.564   8.191
  254   2HE2  GLN   3          1HE2      GLN   3 -19.747   7.154   7.783
  255    H    ALA   4           H        ALA   4 -17.604   1.437   4.668
  256    HA   ALA   4           HA       ALA   4 -17.417  -0.547   6.786
  257   1HB   ALA   4          1HB       ALA   4 -18.384  -0.614   3.923
  258   2HB   ALA   4          2HB       ALA   4 -18.349  -2.032   4.969
  259   3HB   ALA   4          3HB       ALA   4 -19.379  -0.660   5.378
  260    H    LEU   5           H        LEU   5 -16.209   0.293   3.668
  261    HA   LEU   5           HA       LEU   5 -13.870  -1.479   3.962
  262   1HB   LEU   5          1HB       LEU   5 -15.640  -0.769   1.683
  263   2HB   LEU   5          2HB       LEU   5 -13.941  -0.961   1.341
  264    HG   LEU   5           HG       LEU   5 -15.324  -3.151   2.821
  265   1HD1  LEU   5          1HD1      LEU   5 -16.813  -2.431   0.905
  266   2HD1  LEU   5          2HD1      LEU   5 -15.501  -2.907  -0.173
  267   3HD1  LEU   5          3HD1      LEU   5 -16.264  -4.106   0.871
  268   1HD2  LEU   5          1HD2      LEU   5 -12.817  -2.929   2.061
  269   2HD2  LEU   5          2HD2      LEU   5 -13.660  -4.475   1.958
  270   3HD2  LEU   5          3HD2      LEU   5 -13.465  -3.479   0.515
  271    H    LYS   6           H        LYS   6 -15.228   1.567   2.970
  272    HA   LYS   6           HA       LYS   6 -13.038   2.904   1.960
  273   1HB   LYS   6          1HB       LYS   6 -15.411   3.531   1.921
  274   2HB   LYS   6          2HB       LYS   6 -15.324   3.917   3.617
  275   1HG   LYS   6          1HG       LYS   6 -14.491   5.953   3.187
  276   2HG   LYS   6          2HG       LYS   6 -13.366   5.327   1.974
  277   1HD   LYS   6          1HD       LYS   6 -14.912   6.746   0.829
  278   2HD   LYS   6          2HD       LYS   6 -15.325   5.073   0.420
  279   1HE   LYS   6          1HE       LYS   6 -17.255   6.636   0.990
  280   2HE   LYS   6          2HE       LYS   6 -17.225   5.081   1.827
  281   1HZ   LYS   6          1HZ       LYS   6 -16.124   7.583   2.991
  282   2HZ   LYS   6          2HZ       LYS   6 -17.710   7.058   3.252
  283   3HZ   LYS   6          3HZ       LYS   6 -16.410   6.114   3.781
  284    H    LYS   7           H        LYS   7 -13.796   2.024   5.246
  285    HA   LYS   7           HA       LYS   7 -11.901   3.926   6.342
  286   1HB   LYS   7          1HB       LYS   7 -12.701   3.398   8.425
  287   2HB   LYS   7          2HB       LYS   7 -14.107   3.044   7.435
  288   1HG   LYS   7          1HG       LYS   7 -12.123   0.939   8.248
  289   2HG   LYS   7          2HG       LYS   7 -13.534   1.364   9.217
  290   1HD   LYS   7          1HD       LYS   7 -14.600   1.028   6.704
  291   2HD   LYS   7          2HD       LYS   7 -13.348  -0.219   6.774
  292   1HE   LYS   7          1HE       LYS   7 -14.923  -0.014   9.217
  293   2HE   LYS   7          2HE       LYS   7 -15.883  -0.423   7.799
  294   1HZ   LYS   7          1HZ       LYS   7 -13.379  -1.874   8.234
  295   2HZ   LYS   7          2HZ       LYS   7 -14.702  -2.265   9.213
  296   3HZ   LYS   7          3HZ       LYS   7 -14.823  -2.405   7.532
  297    H    ARG   8           H        ARG   8 -11.883   0.712   5.150
  298    HA   ARG   8           HA       ARG   8  -9.476  -0.016   6.596
  299   1HB   ARG   8          1HB       ARG   8  -9.770  -2.195   5.770
  300   2HB   ARG   8          2HB       ARG   8 -11.387  -1.617   6.124
  301   1HG   ARG   8          1HG       ARG   8 -12.040  -1.986   4.035
  302   2HG   ARG   8          2HG       ARG   8 -10.708  -1.029   3.394
  303   1HD   ARG   8          1HD       ARG   8  -9.850  -2.915   2.590
  304   2HD   ARG   8          2HD       ARG   8  -9.522  -3.396   4.253
  305    HE   ARG   8           HE       ARG   8 -11.561  -4.432   2.516
  306   1HH1  ARG   8          1HH1      ARG   8 -10.610  -3.964   5.842
  307   2HH1  ARG   8          2HH1      ARG   8 -11.585  -5.266   6.434
  308   1HH2  ARG   8          1HH2      ARG   8 -12.842  -6.146   3.294
  309   2HH2  ARG   8          2HH2      ARG   8 -12.851  -6.506   4.988
  310    H    VAL   9           H        VAL   9 -10.415   0.997   3.364
  311    HA   VAL   9           HA       VAL   9  -8.095   0.252   1.985
  312    HB   VAL   9           HB       VAL   9  -9.959   2.577   1.487
  313   1HG1  VAL   9          1HG1      VAL   9  -7.800   1.457  -0.302
  314   2HG1  VAL   9          2HG1      VAL   9  -9.003   2.656  -0.778
  315   3HG1  VAL   9          3HG1      VAL   9  -7.806   3.050   0.456
  316   1HG2  VAL   9          1HG2      VAL   9  -9.909  -0.282   0.719
  317   2HG2  VAL   9          2HG2      VAL   9 -11.277   0.784   1.036
  318   3HG2  VAL   9          3HG2      VAL   9 -10.432   0.871  -0.509
  319    H    GLN  10           H        GLN  10  -8.782   3.044   4.002
  320    HA   GLN  10           HA       GLN  10  -6.551   4.603   3.298
  321   1HB   GLN  10          1HB       GLN  10  -7.791   4.550   6.043
  322   2HB   GLN  10          2HB       GLN  10  -7.010   5.899   5.230
  323   1HG   GLN  10          1HG       GLN  10  -8.904   5.712   3.517
  324   2HG   GLN  10          2HG       GLN  10  -9.712   4.715   4.726
  325   1HE2  GLN  10          2HE2      GLN  10 -10.526   7.277   3.671
  326   2HE2  GLN  10          1HE2      GLN  10 -10.621   8.359   5.015
  327    H    ALA  11           H        ALA  11  -6.730   1.664   5.009
  328    HA   ALA  11           HA       ALA  11  -4.296   2.123   6.524
  329   1HB   ALA  11          1HB       ALA  11  -6.474   0.669   7.103
  330   2HB   ALA  11          2HB       ALA  11  -5.451  -0.588   6.407
  331   3HB   ALA  11          3HB       ALA  11  -4.881   0.349   7.788
  332    H    LEU  12           H        LEU  12  -5.091   1.029   3.403
  333    HA   LEU  12           HA       LEU  12  -2.715  -0.669   3.230
  334   1HB   LEU  12          1HB       LEU  12  -4.409  -0.164   0.843
  335   2HB   LEU  12          2HB       LEU  12  -3.581  -1.622   1.336
  336    HG   LEU  12           HG       LEU  12  -5.947  -0.687   2.911
  337   1HD1  LEU  12          1HD1      LEU  12  -5.992  -2.082   0.251
  338   2HD1  LEU  12          2HD1      LEU  12  -7.324  -2.163   1.404
  339   3HD1  LEU  12          3HD1      LEU  12  -6.838  -0.610   0.726
  340   1HD2  LEU  12          1HD2      LEU  12  -4.397  -3.182   2.511
  341   2HD2  LEU  12          2HD2      LEU  12  -5.106  -2.510   3.979
  342   3HD2  LEU  12          3HD2      LEU  12  -6.129  -3.337   2.805
  343    H    LYS  13           H        LYS  13  -4.140   2.121   1.541
  344    HA   LYS  13           HA       LYS  13  -1.746   2.609   0.046
  345   1HB   LYS  13          1HB       LYS  13  -2.962   4.741  -0.609
  346   2HB   LYS  13          2HB       LYS  13  -3.734   3.226  -1.051
  347   1HG   LYS  13          1HG       LYS  13  -5.382   4.774  -0.244
  348   2HG   LYS  13          2HG       LYS  13  -5.219   3.447   0.905
  349   1HD   LYS  13          1HD       LYS  13  -4.345   4.778   2.520
  350   2HD   LYS  13          2HD       LYS  13  -3.503   5.807   1.362
  351   1HE   LYS  13          1HE       LYS  13  -6.366   6.049   1.083
  352   2HE   LYS  13          2HE       LYS  13  -5.859   6.391   2.737
  353   1HZ   LYS  13          1HZ       LYS  13  -4.043   7.775   1.401
  354   2HZ   LYS  13          2HZ       LYS  13  -5.312   7.860   0.285
  355   3HZ   LYS  13          3HZ       LYS  13  -5.533   8.429   1.862
  356    H    ALA  14           H        ALA  14  -2.855   3.525   3.158
  357    HA   ALA  14           HA       ALA  14  -1.639   6.016   3.482
  358   1HB   ALA  14          1HB       ALA  14  -2.469   3.842   5.333
  359   2HB   ALA  14          2HB       ALA  14  -1.442   5.132   5.959
  360   3HB   ALA  14          3HB       ALA  14  -3.007   5.519   5.244
  361    H    ARG  15           H        ARG  15  -0.346   2.833   4.452
  362    HA   ARG  15           HA       ARG  15   2.292   3.958   4.815
  363   1HB   ARG  15          1HB       ARG  15   1.094   2.009   6.131
  364   2HB   ARG  15          2HB       ARG  15   1.771   1.016   4.848
  365   1HG   ARG  15          1HG       ARG  15   3.394   0.897   6.478
  366   2HG   ARG  15          2HG       ARG  15   3.998   2.193   5.444
  367   1HD   ARG  15          1HD       ARG  15   3.853   3.693   7.088
  368   2HD   ARG  15          2HD       ARG  15   2.215   3.189   7.502
  369    HE   ARG  15           HE       ARG  15   3.088   2.020   9.248
  370   1HH1  ARG  15          1HH1      ARG  15   5.620   2.505   6.896
  371   2HH1  ARG  15          2HH1      ARG  15   6.849   1.796   7.888
  372   1HH2  ARG  15          1HH2      ARG  15   4.704   1.087  10.554
  373   2HH2  ARG  15          2HH2      ARG  15   6.329   0.990   9.964
  374    H    ASN  16           H        ASN  16   0.609   1.952   2.478
  375    HA   ASN  16           HA       ASN  16   2.791   0.993   1.030
  376   1HB   ASN  16          1HB       ASN  16   0.498   0.178   0.711
  377   2HB   ASN  16          2HB       ASN  16   0.039   1.726   0.008
  378   1HD2  ASN  16          2HD2      ASN  16  -0.349   1.327  -2.055
  379   2HD2  ASN  16          1HD2      ASN  16   0.716   0.507  -3.141
  380    H    TYR  17           H        TYR  17   0.982   4.025   0.683
  381    HA   TYR  17           HA       TYR  17   2.201   4.951  -1.646
  382   1HB   TYR  17          1HB       TYR  17   0.222   6.017  -0.706
  383   2HB   TYR  17          2HB       TYR  17   1.142   6.537   0.702
  384    HD1  TYR  17           HD1      TYR  17   1.015   6.898  -3.006
  385    HD2  TYR  17           HD2      TYR  17   2.170   8.629   0.706
  386    HE1  TYR  17           HE1      TYR  17   1.598   8.985  -4.167
  387    HE2  TYR  17           HE2      TYR  17   2.755  10.721  -0.446
  388    HH   TYR  17           HH       TYR  17   1.891  11.327  -3.710
  389    H    ALA  18           H        ALA  18   3.323   4.989   1.670
  390    HA   ALA  18           HA       ALA  18   5.457   6.834   1.236
  391   1HB   ALA  18          1HB       ALA  18   4.562   5.083   3.444
  392   2HB   ALA  18          2HB       ALA  18   6.267   5.533   3.433
  393   3HB   ALA  18          3HB       ALA  18   5.025   6.784   3.459
  394    H    LEU  19           H        LEU  19   5.399   3.282   1.640
  395    HA   LEU  19           HA       LEU  19   8.130   2.889   1.156
  396   1HB   LEU  19          1HB       LEU  19   6.230   0.816   0.199
  397   2HB   LEU  19          2HB       LEU  19   7.706   0.639   1.121
  398    HG   LEU  19           HG       LEU  19   4.995   1.442   2.160
  399   1HD1  LEU  19          1HD1      LEU  19   6.775  -0.947   2.474
  400   2HD1  LEU  19          2HD1      LEU  19   5.536  -0.557   3.667
  401   3HD1  LEU  19          3HD1      LEU  19   5.079  -0.881   1.994
  402   1HD2  LEU  19          1HD2      LEU  19   7.706   1.643   3.419
  403   2HD2  LEU  19          2HD2      LEU  19   6.395   2.823   3.404
  404   3HD2  LEU  19          3HD2      LEU  19   6.265   1.373   4.401
  405    H    LYS  20           H        LYS  20   5.379   2.560  -1.084
  406    HA   LYS  20           HA       LYS  20   6.605   1.916  -3.416
  407   1HB   LYS  20          1HB       LYS  20   4.115   2.784  -2.738
  408   2HB   LYS  20          2HB       LYS  20   4.685   4.130  -3.714
  409   1HG   LYS  20          1HG       LYS  20   4.876   2.830  -5.625
  410   2HG   LYS  20          2HG       LYS  20   4.929   1.321  -4.711
  411   1HD   LYS  20          1HD       LYS  20   2.669   1.200  -4.520
  412   2HD   LYS  20          2HD       LYS  20   2.476   2.952  -4.433
  413   1HE   LYS  20          1HE       LYS  20   3.406   2.553  -6.993
  414   2HE   LYS  20          2HE       LYS  20   2.353   1.163  -6.732
  415   1HZ   LYS  20          1HZ       LYS  20   1.374   3.821  -5.976
  416   2HZ   LYS  20          2HZ       LYS  20   1.410   3.417  -7.618
  417   3HZ   LYS  20          3HZ       LYS  20   0.515   2.476  -6.534
  418    H    GLN  21           H        GLN  21   6.820   4.966  -1.750
  419    HA   GLN  21           HA       GLN  21   8.046   6.315  -3.995
  420   1HB   GLN  21          1HB       GLN  21   6.566   7.580  -2.554
  421   2HB   GLN  21          2HB       GLN  21   7.552   7.194  -1.151
  422   1HG   GLN  21          1HG       GLN  21   9.415   8.456  -2.136
  423   2HG   GLN  21          2HG       GLN  21   8.386   8.875  -3.505
  424   1HE2  GLN  21          2HE2      GLN  21   7.807  10.915  -3.358
  425   2HE2  GLN  21          1HE2      GLN  21   7.290  11.729  -1.925
  426    H    LYS  22           H        LYS  22   9.054   4.991  -0.870
  427    HA   LYS  22           HA       LYS  22  11.798   5.833  -1.321
  428   1HB   LYS  22          1HB       LYS  22  12.229   4.917   0.913
  429   2HB   LYS  22          2HB       LYS  22  10.887   6.052   0.918
  430   1HG   LYS  22          1HG       LYS  22   9.518   4.528   1.756
  431   2HG   LYS  22          2HG       LYS  22   9.925   3.383   0.477
  432   1HD   LYS  22          1HD       LYS  22  10.443   2.439   2.656
  433   2HD   LYS  22          2HD       LYS  22  11.925   2.709   1.737
  434   1HE   LYS  22          1HE       LYS  22  12.556   3.582   3.750
  435   2HE   LYS  22          2HE       LYS  22  11.874   5.024   2.999
  436   1HZ   LYS  22          1HZ       LYS  22  10.308   3.224   4.759
  437   2HZ   LYS  22          2HZ       LYS  22  11.143   4.579   5.333
  438   3HZ   LYS  22          3HZ       LYS  22   9.884   4.771   4.222
  439    H    VAL  23           H        VAL  23   9.902   2.997  -1.814
  440    HA   VAL  23           HA       VAL  23  11.537   0.877  -1.453
  441    HB   VAL  23           HB       VAL  23   9.848   1.361  -3.911
  442   1HG1  VAL  23          1HG1      VAL  23  10.992  -1.212  -2.821
  443   2HG1  VAL  23          2HG1      VAL  23   9.841  -1.086  -4.152
  444   3HG1  VAL  23          3HG1      VAL  23  11.462  -0.413  -4.322
  445   1HG2  VAL  23          1HG2      VAL  23   9.207   0.796  -1.161
  446   2HG2  VAL  23          2HG2      VAL  23   8.132   1.145  -2.513
  447   3HG2  VAL  23          3HG2      VAL  23   8.653  -0.511  -2.207
  448    H    GLN  24           H        GLN  24  11.490   2.660  -4.554
  449    HA   GLN  24           HA       GLN  24  13.781   1.436  -5.606
  450   1HB   GLN  24          1HB       GLN  24  13.821   3.323  -7.204
  451   2HB   GLN  24          2HB       GLN  24  12.221   2.613  -7.034
  452   1HG   GLN  24          1HG       GLN  24  11.370   4.579  -6.501
  453   2HG   GLN  24          2HG       GLN  24  12.488   4.728  -5.146
  454   1HE2  GLN  24          2HE2      GLN  24  14.758   5.377  -5.831
  455   2HE2  GLN  24          1HE2      GLN  24  14.870   6.646  -6.997
  456    H    ALA  25           H        ALA  25  13.395   4.142  -3.441
  457    HA   ALA  25           HA       ALA  25  15.992   5.238  -3.739
  458   1HB   ALA  25          1HB       ALA  25  13.734   5.569  -1.870
  459   2HB   ALA  25          2HB       ALA  25  15.327   6.002  -1.249
  460   3HB   ALA  25          3HB       ALA  25  14.707   6.780  -2.705
  461    H    LEU  26           H        LEU  26  14.673   2.654  -1.779
  462    HA   LEU  26           HA       LEU  26  16.925   2.414  -0.042
  463   1HB   LEU  26          1HB       LEU  26  14.806   0.372  -0.714
  464   2HB   LEU  26          2HB       LEU  26  15.915   0.295   0.641
  465    HG   LEU  26           HG       LEU  26  13.716   2.322   0.243
  466   1HD1  LEU  26          1HD1      LEU  26  14.001  -0.171   1.827
  467   2HD1  LEU  26          2HD1      LEU  26  13.125   1.178   2.550
  468   3HD1  LEU  26          3HD1      LEU  26  12.588   0.501   1.013
  469   1HD2  LEU  26          1HD2      LEU  26  16.013   2.196   2.125
  470   2HD2  LEU  26          2HD2      LEU  26  15.227   3.593   1.390
  471   3HD2  LEU  26          3HD2      LEU  26  14.458   2.758   2.740
  472    H    ARG  27           H        ARG  27  15.768   0.401  -2.751
  473    HA   ARG  27           HA       ARG  27  18.025  -1.276  -2.833
  474   1HB   ARG  27          1HB       ARG  27  17.223  -1.863  -5.121
  475   2HB   ARG  27          2HB       ARG  27  15.981  -1.975  -3.882
  476   1HG   ARG  27          1HG       ARG  27  15.596   0.557  -4.723
  477   2HG   ARG  27          2HG       ARG  27  16.182  -0.191  -6.209
  478   1HD   ARG  27          1HD       ARG  27  14.390  -2.042  -5.242
  479   2HD   ARG  27          2HD       ARG  27  13.632  -0.504  -4.830
  480    HE   ARG  27           HE       ARG  27  14.341  -0.156  -7.410
  481   1HH1  ARG  27          1HH1      ARG  27  12.571  -2.668  -5.757
  482   2HH1  ARG  27          2HH1      ARG  27  11.597  -3.061  -7.134
  483   1HH2  ARG  27          1HH2      ARG  27  13.065  -0.672  -9.223
  484   2HH2  ARG  27          2HH2      ARG  27  11.877  -1.927  -9.103
  485    H    HIS  28           H        HIS  28  17.229   1.683  -4.614
  486    HA   HIS  28           HA       HIS  28  19.537   1.657  -6.259
  487   1HB   HIS  28          1HB       HIS  28  17.372   2.980  -6.602
  488   2HB   HIS  28          2HB       HIS  28  18.027   4.136  -5.447
  489    HD1  HIS  28           HD1      HIS  28  17.675   5.549  -7.897
  490    HD2  HIS  28           HD2      HIS  28  20.944   3.025  -7.443
  491    HE1  HIS  28           HE1      HIS  28  19.376   6.274  -9.621
  492    H    LYS  29           H        LYS  29  18.770   3.924  -3.610
  493    HA   LYS  29           HA       LYS  29  21.595   4.484  -3.264
  494   1HB   LYS  29          1HB       LYS  29  19.287   5.980  -2.943
  495   2HB   LYS  29          2HB       LYS  29  19.789   5.655  -1.289
  496   1HG   LYS  29          1HG       LYS  29  22.129   6.425  -2.161
  497   2HG   LYS  29          2HG       LYS  29  21.173   7.207  -3.422
  498   1HD   LYS  29          1HD       LYS  29  19.907   8.423  -1.756
  499   2HD   LYS  29          2HD       LYS  29  20.747   7.574  -0.457
  500   1HE   LYS  29          1HE       LYS  29  21.578   9.897  -0.936
  501   2HE   LYS  29          2HE       LYS  29  22.806   8.633  -0.982
  502   1HZ   LYS  29          1HZ       LYS  29  21.495   9.255  -3.504
  503   2HZ   LYS  29          2HZ       LYS  29  22.525  10.446  -2.888
  504   3HZ   LYS  29          3HZ       LYS  29  23.117   8.889  -3.187
  505    H    GLY  30           H        GLY  30  22.872   3.733  -1.676
  506   1HA   GLY  30          1HA       GLY  30  21.847   2.744   0.810
  507   2HA   GLY  30          2HA       GLY  30  22.345   1.443  -0.261
  508   1HN   NH2  31          1HN       NH2  31  24.583   1.607  -1.121
  509   2HN   NH2  31          2HN       NH2  31  25.809   2.211  -0.064
  Start of MODEL    2
    1   1H    ACE   0          1H        ACE   0 -20.005   6.806  -4.332
    2   2H    ACE   0          2H        ACE   0 -18.779   6.812  -5.600
    3   3H    ACE   0          3H        ACE   0 -18.411   6.118  -4.020
    4    H    GLU   1           H        GLU   1 -17.957   4.588  -6.224
    5    HA   GLU   1           HA       GLU   1 -20.253   2.858  -6.652
    6   1HB   GLU   1          1HB       GLU   1 -17.808   3.465  -8.072
    7   2HB   GLU   1          2HB       GLU   1 -18.009   1.728  -7.897
    8   1HG   GLU   1          1HG       GLU   1 -20.517   2.665  -8.655
    9   2HG   GLU   1          2HG       GLU   1 -19.370   3.573  -9.639
   10    H    VAL   2           H        VAL   2 -20.510   0.866  -5.815
   11    HA   VAL   2           HA       VAL   2 -19.260   0.108  -3.457
   12    HB   VAL   2           HB       VAL   2 -20.544  -1.797  -5.417
   13   1HG1  VAL   2          1HG1      VAL   2 -19.675  -1.967  -2.600
   14   2HG1  VAL   2          2HG1      VAL   2 -21.239  -2.686  -2.982
   15   3HG1  VAL   2          3HG1      VAL   2 -19.790  -3.223  -3.833
   16   1HG2  VAL   2          1HG2      VAL   2 -21.731   0.173  -3.503
   17   2HG2  VAL   2          2HG2      VAL   2 -22.188  -0.181  -5.169
   18   3HG2  VAL   2          3HG2      VAL   2 -22.581  -1.324  -3.886
   19    H    ALA   3           H        ALA   3 -18.885  -1.602  -6.572
   20    HA   ALA   3           HA       ALA   3 -16.653  -3.103  -5.799
   21   1HB   ALA   3          1HB       ALA   3 -18.255  -3.108  -7.966
   22   2HB   ALA   3          2HB       ALA   3 -16.813  -2.358  -8.648
   23   3HB   ALA   3          3HB       ALA   3 -16.707  -3.949  -7.891
   24    H    GLN   4           H        GLN   4 -16.943   0.137  -7.063
   25    HA   GLN   4           HA       GLN   4 -14.299   0.590  -7.857
   26   1HB   GLN   4          1HB       GLN   4 -16.114   2.127  -8.400
   27   2HB   GLN   4          2HB       GLN   4 -16.321   2.517  -6.699
   28   1HG   GLN   4          1HG       GLN   4 -15.078   4.298  -7.292
   29   2HG   GLN   4          2HG       GLN   4 -13.760   3.180  -6.947
   30   1HE2  GLN   4          2HE2      GLN   4 -15.389   5.015  -9.334
   31   2HE2  GLN   4          1HE2      GLN   4 -14.369   4.609 -10.667
   32    H    LEU   5           H        LEU   5 -15.770   0.461  -4.710
   33    HA   LEU   5           HA       LEU   5 -13.396   1.565  -3.419
   34   1HB   LEU   5          1HB       LEU   5 -15.949   0.556  -2.167
   35   2HB   LEU   5          2HB       LEU   5 -14.687   1.477  -1.370
   36    HG   LEU   5           HG       LEU   5 -16.039   2.693  -3.731
   37   1HD1  LEU   5          1HD1      LEU   5 -17.321   2.079  -1.130
   38   2HD1  LEU   5          2HD1      LEU   5 -17.602   3.674  -1.827
   39   3HD1  LEU   5          3HD1      LEU   5 -18.029   2.226  -2.738
   40   1HD2  LEU   5          1HD2      LEU   5 -14.483   3.541  -1.374
   41   2HD2  LEU   5          2HD2      LEU   5 -14.510   4.191  -3.013
   42   3HD2  LEU   5          3HD2      LEU   5 -15.789   4.616  -1.874
   43    H    GLU   6           H        GLU   6 -15.065  -1.464  -3.909
   44    HA   GLU   6           HA       GLU   6 -13.682  -2.974  -1.951
   45   1HB   GLU   6          1HB       GLU   6 -15.100  -3.805  -4.486
   46   2HB   GLU   6          2HB       GLU   6 -14.459  -4.942  -3.309
   47   1HG   GLU   6          1HG       GLU   6 -15.950  -3.405  -1.692
   48   2HG   GLU   6          2HG       GLU   6 -16.857  -3.236  -3.194
   49    H    LYS   7           H        LYS   7 -13.122  -2.407  -5.400
   50    HA   LYS   7           HA       LYS   7 -10.876  -4.139  -5.587
   51   1HB   LYS   7          1HB       LYS   7 -11.499  -1.794  -7.381
   52   2HB   LYS   7          2HB       LYS   7 -10.548  -3.219  -7.777
   53   1HG   LYS   7          1HG       LYS   7 -13.377  -3.603  -6.956
   54   2HG   LYS   7          2HG       LYS   7 -13.046  -2.958  -8.564
   55   1HD   LYS   7          1HD       LYS   7 -11.932  -5.525  -7.434
   56   2HD   LYS   7          2HD       LYS   7 -13.263  -5.402  -8.587
   57   1HE   LYS   7          1HE       LYS   7 -11.792  -5.413 -10.251
   58   2HE   LYS   7          2HE       LYS   7 -11.114  -3.905  -9.642
   59   1HZ   LYS   7          1HZ       LYS   7 -10.296  -6.493  -8.487
   60   2HZ   LYS   7          2HZ       LYS   7  -9.579  -5.922  -9.909
   61   3HZ   LYS   7          3HZ       LYS   7  -9.467  -5.017  -8.485
   62    H    GLU   8           H        GLU   8 -11.300  -0.822  -4.629
   63    HA   GLU   8           HA       GLU   8  -8.695   0.119  -4.995
   64   1HB   GLU   8          1HB       GLU   8 -10.802   1.410  -4.327
   65   2HB   GLU   8          2HB       GLU   8 -10.426   0.932  -2.677
   66   1HG   GLU   8          1HG       GLU   8  -8.324   2.084  -2.767
   67   2HG   GLU   8          2HG       GLU   8  -8.544   2.436  -4.480
   68    H    VAL   9           H        VAL   9 -10.023  -2.045  -2.641
   69    HA   VAL   9           HA       VAL   9  -7.884  -1.769  -0.743
   70    HB   VAL   9           HB       VAL   9 -10.037  -3.871  -1.035
   71   1HG1  VAL   9          1HG1      VAL   9  -8.013  -3.522   1.177
   72   2HG1  VAL   9          2HG1      VAL   9  -9.391  -4.621   1.217
   73   3HG1  VAL   9          3HG1      VAL   9  -8.101  -4.869   0.042
   74   1HG2  VAL   9          1HG2      VAL   9  -9.695  -1.572   0.888
   75   2HG2  VAL   9          2HG2      VAL   9 -10.880  -1.685  -0.414
   76   3HG2  VAL   9          3HG2      VAL   9 -10.976  -2.782   0.965
   77    H    ALA  10           H        ALA  10  -8.887  -4.486  -2.841
   78    HA   ALA  10           HA       ALA  10  -6.685  -6.106  -2.522
   79   1HB   ALA  10          1HB       ALA  10  -8.704  -5.742  -4.648
   80   2HB   ALA  10          2HB       ALA  10  -7.238  -6.613  -5.097
   81   3HB   ALA  10          3HB       ALA  10  -8.235  -7.193  -3.763
   82    H    GLN  11           H        GLN  11  -6.969  -3.152  -4.322
   83    HA   GLN  11           HA       GLN  11  -4.687  -3.435  -5.968
   84   1HB   GLN  11          1HB       GLN  11  -6.432  -1.784  -6.427
   85   2HB   GLN  11          2HB       GLN  11  -6.055  -0.945  -4.935
   86   1HG   GLN  11          1HG       GLN  11  -3.702  -0.675  -5.916
   87   2HG   GLN  11          2HG       GLN  11  -4.459  -1.103  -7.446
   88   1HE2  GLN  11          2HE2      GLN  11  -6.623   0.155  -7.758
   89   2HE2  GLN  11          1HE2      GLN  11  -6.504   1.860  -7.504
   90    H    LEU  12           H        LEU  12  -5.189  -2.114  -2.730
   91    HA   LEU  12           HA       LEU  12  -2.356  -1.458  -2.500
   92   1HB   LEU  12          1HB       LEU  12  -4.458  -1.138  -0.370
   93   2HB   LEU  12          2HB       LEU  12  -2.905  -0.332  -0.482
   94    HG   LEU  12           HG       LEU  12  -5.079   0.105  -2.517
   95   1HD1  LEU  12          1HD1      LEU  12  -4.613   1.485   0.110
   96   2HD1  LEU  12          2HD1      LEU  12  -5.462   2.255  -1.229
   97   3HD1  LEU  12          3HD1      LEU  12  -6.105   0.780  -0.507
   98   1HD2  LEU  12          1HD2      LEU  12  -2.768   0.721  -3.123
   99   2HD2  LEU  12          2HD2      LEU  12  -3.838   2.119  -3.013
  100   3HD2  LEU  12          3HD2      LEU  12  -2.701   1.775  -1.710
  101    H    GLU  13           H        GLU  13  -4.756  -3.619  -1.054
  102    HA   GLU  13           HA       GLU  13  -3.254  -4.735   0.977
  103   1HB   GLU  13          1HB       GLU  13  -5.567  -5.585  -0.643
  104   2HB   GLU  13          2HB       GLU  13  -4.672  -6.893   0.118
  105   1HG   GLU  13          1HG       GLU  13  -4.952  -5.814   2.294
  106   2HG   GLU  13          2HG       GLU  13  -5.862  -4.513   1.526
  107    H    ALA  14           H        ALA  14  -2.926  -5.156  -2.445
  108    HA   ALA  14           HA       ALA  14  -1.270  -7.528  -2.184
  109   1HB   ALA  14          1HB       ALA  14  -2.807  -7.340  -4.076
  110   2HB   ALA  14          2HB       ALA  14  -1.958  -5.896  -4.627
  111   3HB   ALA  14          3HB       ALA  14  -1.133  -7.456  -4.618
  112    H    GLU  15           H        GLU  15  -0.909  -4.085  -2.817
  113    HA   GLU  15           HA       GLU  15   1.943  -4.345  -3.294
  114   1HB   GLU  15          1HB       GLU  15   0.651  -2.710  -4.587
  115   2HB   GLU  15          2HB       GLU  15   0.190  -1.890  -3.102
  116   1HG   GLU  15          1HG       GLU  15   1.921  -0.607  -4.006
  117   2HG   GLU  15          2HG       GLU  15   2.663  -1.527  -2.698
  118    H    ASN  16           H        ASN  16  -0.122  -2.627  -0.947
  119    HA   ASN  16           HA       ASN  16   1.817  -1.672   0.752
  120   1HB   ASN  16          1HB       ASN  16  -0.573  -1.129   0.945
  121   2HB   ASN  16          2HB       ASN  16  -0.901  -2.758   1.525
  122   1HD2  ASN  16          2HD2      ASN  16  -1.773  -1.870   3.423
  123   2HD2  ASN  16          1HD2      ASN  16  -0.757  -1.261   4.679
  124    H    TYR  17           H        TYR  17   0.696  -4.946   0.387
  125    HA   TYR  17           HA       TYR  17   2.012  -5.829   2.825
  126   1HB   TYR  17          1HB       TYR  17  -0.112  -6.867   2.265
  127   2HB   TYR  17          2HB       TYR  17   0.505  -7.355   0.691
  128    HD1  TYR  17           HD1      TYR  17   0.892  -7.900   4.338
  129    HD2  TYR  17           HD2      TYR  17   1.683  -9.382   0.429
  130    HE1  TYR  17           HE1      TYR  17   1.651 -10.030   5.305
  131    HE2  TYR  17           HE2      TYR  17   2.442 -11.517   1.385
  132    HH   TYR  17           HH       TYR  17   3.279 -12.415   3.452
  133    H    GLN  18           H        GLN  18   2.311  -6.355  -0.678
  134    HA   GLN  18           HA       GLN  18   4.532  -8.048  -0.606
  135   1HB   GLN  18          1HB       GLN  18   3.040  -7.516  -2.590
  136   2HB   GLN  18          2HB       GLN  18   3.973  -6.039  -2.786
  137   1HG   GLN  18          1HG       GLN  18   5.901  -7.188  -3.383
  138   2HG   GLN  18          2HG       GLN  18   5.325  -8.706  -2.695
  139   1HE2  GLN  18          2HE2      GLN  18   6.365  -8.279  -5.327
  140   2HE2  GLN  18          1HE2      GLN  18   5.111  -8.690  -6.443
  141    H    LEU  19           H        LEU  19   4.294  -4.581  -0.312
  142    HA   LEU  19           HA       LEU  19   7.083  -4.085  -0.755
  143   1HB   LEU  19          1HB       LEU  19   4.881  -2.383   0.399
  144   2HB   LEU  19          2HB       LEU  19   6.521  -1.812   0.156
  145    HG   LEU  19           HG       LEU  19   4.594  -2.699  -1.992
  146   1HD1  LEU  19          1HD1      LEU  19   5.528  -0.065  -0.964
  147   2HD1  LEU  19          2HD1      LEU  19   5.169  -0.236  -2.682
  148   3HD1  LEU  19          3HD1      LEU  19   3.920  -0.570  -1.482
  149   1HD2  LEU  19          1HD2      LEU  19   7.517  -2.287  -1.993
  150   2HD2  LEU  19          2HD2      LEU  19   6.509  -3.294  -3.033
  151   3HD2  LEU  19          3HD2      LEU  19   6.623  -1.559  -3.328
  152    H    GLU  20           H        GLU  20   4.984  -4.006   2.128
  153    HA   GLU  20           HA       GLU  20   6.825  -3.400   4.061
  154   1HB   GLU  20          1HB       GLU  20   4.232  -4.124   4.100
  155   2HB   GLU  20          2HB       GLU  20   4.953  -5.586   4.755
  156   1HG   GLU  20          1HG       GLU  20   6.215  -3.885   6.304
  157   2HG   GLU  20          2HG       GLU  20   4.853  -2.844   5.896
  158    H    GLN  21           H        GLN  21   6.496  -6.390   2.307
  159    HA   GLN  21           HA       GLN  21   8.397  -7.743   4.063
  160   1HB   GLN  21          1HB       GLN  21   6.198  -8.634   2.633
  161   2HB   GLN  21          2HB       GLN  21   7.561  -9.207   1.683
  162   1HG   GLN  21          1HG       GLN  21   7.216  -9.699   4.632
  163   2HG   GLN  21          2HG       GLN  21   6.743 -10.830   3.364
  164   1HE2  GLN  21          2HE2      GLN  21   9.362  -9.420   5.120
  165   2HE2  GLN  21          1HE2      GLN  21  10.607 -10.452   4.510
  166    H    GLU  22           H        GLU  22   8.196  -6.247   0.926
  167    HA   GLU  22           HA       GLU  22  10.700  -7.361   0.002
  168   1HB   GLU  22          1HB       GLU  22   8.709  -5.414  -1.112
  169   2HB   GLU  22          2HB       GLU  22  10.307  -5.552  -1.835
  170   1HG   GLU  22          1HG       GLU  22   8.705  -8.021  -1.393
  171   2HG   GLU  22          2HG       GLU  22   8.291  -6.954  -2.734
  172    H    VAL  23           H        VAL  23   9.558  -4.423   1.506
  173    HA   VAL  23           HA       VAL  23  11.803  -2.794   1.009
  174    HB   VAL  23           HB       VAL  23   9.962  -2.668   3.400
  175   1HG1  VAL  23          1HG1      VAL  23  12.250  -1.219   2.854
  176   2HG1  VAL  23          2HG1      VAL  23  10.946  -0.166   2.302
  177   3HG1  VAL  23          3HG1      VAL  23  10.960  -0.756   3.964
  178   1HG2  VAL  23          1HG2      VAL  23   9.196  -2.522   0.761
  179   2HG2  VAL  23          2HG2      VAL  23   8.319  -1.838   2.131
  180   3HG2  VAL  23          3HG2      VAL  23   9.428  -0.830   1.201
  181    H    ALA  24           H        ALA  24  11.175  -5.300   3.343
  182    HA   ALA  24           HA       ALA  24  13.252  -4.634   5.166
  183   1HB   ALA  24          1HB       ALA  24  11.426  -6.918   4.744
  184   2HB   ALA  24          2HB       ALA  24  12.922  -7.254   5.615
  185   3HB   ALA  24          3HB       ALA  24  11.809  -6.025   6.215
  186    H    GLN  25           H        GLN  25  13.165  -6.311   2.132
  187    HA   GLN  25           HA       GLN  25  15.868  -7.363   2.540
  188   1HB   GLN  25          1HB       GLN  25  13.640  -7.987   0.657
  189   2HB   GLN  25          2HB       GLN  25  15.287  -8.304   0.132
  190   1HG   GLN  25          1HG       GLN  25  15.010  -9.337   2.752
  191   2HG   GLN  25          2HG       GLN  25  13.617  -9.868   1.811
  192   1HE2  GLN  25          2HE2      GLN  25  14.402 -10.452  -0.567
  193   2HE2  GLN  25          1HE2      GLN  25  15.700 -11.592  -0.601
  194    H    LEU  26           H        LEU  26  14.096  -4.947   0.771
  195    HA   LEU  26           HA       LEU  26  15.879  -4.400  -1.298
  196   1HB   LEU  26          1HB       LEU  26  13.925  -2.695   0.213
  197   2HB   LEU  26          2HB       LEU  26  14.926  -2.012  -1.055
  198    HG   LEU  26           HG       LEU  26  13.120  -4.378  -1.517
  199   1HD1  LEU  26          1HD1      LEU  26  12.152  -1.972  -0.780
  200   2HD1  LEU  26          2HD1      LEU  26  12.306  -1.735  -2.521
  201   3HD1  LEU  26          3HD1      LEU  26  11.332  -3.065  -1.895
  202   1HD2  LEU  26          1HD2      LEU  26  15.135  -3.600  -3.038
  203   2HD2  LEU  26          2HD2      LEU  26  13.613  -4.157  -3.733
  204   3HD2  LEU  26          3HD2      LEU  26  13.943  -2.429  -3.603
  205    H    GLU  27           H        GLU  27  15.612  -2.633   1.794
  206    HA   GLU  27           HA       GLU  27  18.226  -1.459   1.388
  207   1HB   GLU  27          1HB       GLU  27  17.738  -0.366   3.610
  208   2HB   GLU  27          2HB       GLU  27  16.601   0.003   2.320
  209   1HG   GLU  27          1HG       GLU  27  14.884  -0.985   3.370
  210   2HG   GLU  27          2HG       GLU  27  15.881  -2.303   3.986
  211    H    HIS  28           H        HIS  28  18.831  -3.974   1.419
  212    HA   HIS  28           HA       HIS  28  19.335  -4.944   4.107
  213   1HB   HIS  28          1HB       HIS  28  18.693  -6.359   2.019
  214   2HB   HIS  28          2HB       HIS  28  20.400  -6.231   1.611
  215    HD1  HIS  28           HD1      HIS  28  18.503  -8.755   2.772
  216    HD2  HIS  28           HD2      HIS  28  21.697  -6.763   4.531
  217    HE1  HIS  28           HE1      HIS  28  19.457 -10.333   4.503
  218    H    GLU  29           H        GLU  29  21.174  -3.752   1.330
  219    HA   GLU  29           HA       GLU  29  23.744  -4.185   2.380
  220   1HB   GLU  29          1HB       GLU  29  24.434  -2.390   0.749
  221   2HB   GLU  29          2HB       GLU  29  23.539  -3.733   0.052
  222   1HG   GLU  29          1HG       GLU  29  21.809  -1.561   0.901
  223   2HG   GLU  29          2HG       GLU  29  23.004  -1.058  -0.294
  224    H    GLY  30           H        GLY  30  21.416  -1.618   2.859
  225   1HA   GLY  30          1HA       GLY  30  21.377  -0.223   4.758
  226   2HA   GLY  30          2HA       GLY  30  23.077  -0.579   5.027
  227   1HN   NH2  31          1HN       NH2  31  21.821   0.392   1.925
  228   2HN   NH2  31          2HN       NH2  31  22.561   1.954   1.889
  229   1H    ACE   0          1H        ACE   0 -17.403  -5.035   4.193
  230   2H    ACE   0          2H        ACE   0 -16.477  -5.627   2.814
  231   3H    ACE   0          3H        ACE   0 -17.938  -6.473   3.323
  232    H    GLU   1           H        GLU   1 -19.081  -3.657   3.848
  233    HA   GLU   1           HA       GLU   1 -20.179  -3.337   1.179
  234   1HB   GLU   1          1HB       GLU   1 -20.975  -1.769   3.621
  235   2HB   GLU   1          2HB       GLU   1 -21.922  -2.077   2.173
  236   1HG   GLU   1          1HG       GLU   1 -22.640  -4.072   2.905
  237   2HG   GLU   1          2HG       GLU   1 -21.096  -4.477   3.651
  238    H    VAL   2           H        VAL   2 -20.906  -0.673   1.202
  239    HA   VAL   2           HA       VAL   2 -18.863   0.613  -0.041
  240    HB   VAL   2           HB       VAL   2 -20.998   1.922   1.641
  241   1HG1  VAL   2          1HG1      VAL   2 -19.140   3.448   1.113
  242   2HG1  VAL   2          2HG1      VAL   2 -19.348   3.087  -0.600
  243   3HG1  VAL   2          3HG1      VAL   2 -20.631   3.906   0.291
  244   1HG2  VAL   2          1HG2      VAL   2 -21.403   0.301  -0.472
  245   2HG2  VAL   2          2HG2      VAL   2 -22.451   1.658  -0.061
  246   3HG2  VAL   2          3HG2      VAL   2 -21.206   1.848  -1.295
  247    H    GLN   3           H        GLN   3 -19.754   2.114   2.998
  248    HA   GLN   3           HA       GLN   3 -17.216   3.118   3.526
  249   1HB   GLN   3          1HB       GLN   3 -18.107   3.380   5.903
  250   2HB   GLN   3          2HB       GLN   3 -19.007   4.173   4.619
  251   1HG   GLN   3          1HG       GLN   3 -19.923   1.463   5.199
  252   2HG   GLN   3          2HG       GLN   3 -20.073   2.579   6.555
  253   1HE2  GLN   3          2HE2      GLN   3 -21.900   3.652   6.649
  254   2HE2  GLN   3          1HE2      GLN   3 -22.932   4.036   5.317
  255    H    ALA   4           H        ALA   4 -18.717   0.094   4.518
  256    HA   ALA   4           HA       ALA   4 -16.939  -0.707   6.490
  257   1HB   ALA   4          1HB       ALA   4 -18.970  -1.949   4.875
  258   2HB   ALA   4          2HB       ALA   4 -17.608  -3.043   5.113
  259   3HB   ALA   4          3HB       ALA   4 -18.434  -2.346   6.507
  260    H    LEU   5           H        LEU   5 -16.539  -0.679   3.022
  261    HA   LEU   5           HA       LEU   5 -13.899  -1.955   3.342
  262   1HB   LEU   5          1HB       LEU   5 -15.909  -1.958   1.161
  263   2HB   LEU   5          2HB       LEU   5 -14.226  -1.967   0.688
  264    HG   LEU   5           HG       LEU   5 -15.366  -3.993   2.601
  265   1HD1  LEU   5          1HD1      LEU   5 -16.413  -3.829   0.197
  266   2HD1  LEU   5          2HD1      LEU   5 -14.912  -4.628  -0.272
  267   3HD1  LEU   5          3HD1      LEU   5 -15.988  -5.390   0.898
  268   1HD2  LEU   5          1HD2      LEU   5 -12.779  -3.387   1.964
  269   2HD2  LEU   5          2HD2      LEU   5 -13.342  -4.948   2.562
  270   3HD2  LEU   5          3HD2      LEU   5 -13.146  -4.687   0.830
  271    H    LYS   6           H        LYS   6 -15.666   0.600   1.745
  272    HA   LYS   6           HA       LYS   6 -13.750   1.996   0.407
  273   1HB   LYS   6          1HB       LYS   6 -16.012   2.675   0.244
  274   2HB   LYS   6          2HB       LYS   6 -16.153   2.868   1.980
  275   1HG   LYS   6          1HG       LYS   6 -14.902   4.876   1.957
  276   2HG   LYS   6          2HG       LYS   6 -14.374   4.607   0.295
  277   1HD   LYS   6          1HD       LYS   6 -16.055   6.169   0.017
  278   2HD   LYS   6          2HD       LYS   6 -16.921   4.651  -0.236
  279   1HE   LYS   6          1HE       LYS   6 -18.360   5.472   1.277
  280   2HE   LYS   6          2HE       LYS   6 -17.154   4.952   2.453
  281   1HZ   LYS   6          1HZ       LYS   6 -17.195   7.662   1.248
  282   2HZ   LYS   6          2HZ       LYS   6 -17.945   7.285   2.717
  283   3HZ   LYS   6          3HZ       LYS   6 -16.268   7.134   2.559
  284    H    LYS   7           H        LYS   7 -14.316   1.917   3.880
  285    HA   LYS   7           HA       LYS   7 -12.427   4.049   4.393
  286   1HB   LYS   7          1HB       LYS   7 -14.202   2.330   6.076
  287   2HB   LYS   7          2HB       LYS   7 -12.862   3.177   6.835
  288   1HG   LYS   7          1HG       LYS   7 -13.878   5.166   6.698
  289   2HG   LYS   7          2HG       LYS   7 -14.502   4.847   5.078
  290   1HD   LYS   7          1HD       LYS   7 -16.460   4.888   6.266
  291   2HD   LYS   7          2HD       LYS   7 -16.068   3.173   6.375
  292   1HE   LYS   7          1HE       LYS   7 -15.593   3.279   8.587
  293   2HE   LYS   7          2HE       LYS   7 -14.944   4.915   8.478
  294   1HZ   LYS   7          1HZ       LYS   7 -17.830   4.472   8.128
  295   2HZ   LYS   7          2HZ       LYS   7 -17.175   4.498   9.687
  296   3HZ   LYS   7          3HZ       LYS   7 -17.017   5.848   8.681
  297    H    ARG   8           H        ARG   8 -12.564   0.533   4.836
  298    HA   ARG   8           HA       ARG   8 -10.192   0.159   6.207
  299   1HB   ARG   8          1HB       ARG   8 -10.331  -2.099   5.641
  300   2HB   ARG   8          2HB       ARG   8 -11.998  -1.552   5.564
  301   1HG   ARG   8          1HG       ARG   8 -12.143  -2.340   3.503
  302   2HG   ARG   8          2HG       ARG   8 -10.899  -1.202   2.985
  303   1HD   ARG   8          1HD       ARG   8  -9.573  -2.935   2.566
  304   2HD   ARG   8          2HD       ARG   8  -9.540  -3.275   4.294
  305    HE   ARG   8           HE       ARG   8 -11.042  -4.682   2.266
  306   1HH1  ARG   8          1HH1      ARG   8 -10.680  -4.037   5.679
  307   2HH1  ARG   8          2HH1      ARG   8 -11.493  -5.486   6.164
  308   1HH2  ARG   8          1HH2      ARG   8 -12.111  -6.586   2.905
  309   2HH2  ARG   8          2HH2      ARG   8 -12.305  -6.933   4.591
  310    H    VAL   9           H        VAL   9 -10.650   1.058   2.899
  311    HA   VAL   9           HA       VAL   9  -8.207   0.196   1.813
  312    HB   VAL   9           HB       VAL   9  -9.813   2.634   1.030
  313   1HG1  VAL   9          1HG1      VAL   9  -7.344   2.182   0.191
  314   2HG1  VAL   9          2HG1      VAL   9  -8.176   1.075  -0.899
  315   3HG1  VAL   9          3HG1      VAL   9  -8.593   2.789  -0.895
  316   1HG2  VAL   9          1HG2      VAL   9 -10.778   0.133   1.064
  317   2HG2  VAL   9          2HG2      VAL   9 -11.229   1.327  -0.154
  318   3HG2  VAL   9          3HG2      VAL   9  -9.991   0.123  -0.513
  319    H    GLN  10           H        GLN  10  -9.096   3.173   3.507
  320    HA   GLN  10           HA       GLN  10  -6.742   4.610   3.080
  321   1HB   GLN  10          1HB       GLN  10  -7.400   5.994   4.920
  322   2HB   GLN  10          2HB       GLN  10  -8.855   5.516   4.059
  323   1HG   GLN  10          1HG       GLN  10  -9.715   4.733   5.934
  324   2HG   GLN  10          2HG       GLN  10  -8.380   3.591   6.081
  325   1HE2  GLN  10          2HE2      GLN  10  -9.351   6.906   6.798
  326   2HE2  GLN  10          1HE2      GLN  10  -8.367   7.082   8.206
  327    H    ALA  11           H        ALA  11  -7.314   1.848   5.043
  328    HA   ALA  11           HA       ALA  11  -5.030   2.308   6.764
  329   1HB   ALA  11          1HB       ALA  11  -7.222   0.330   6.623
  330   2HB   ALA  11          2HB       ALA  11  -5.703  -0.209   7.338
  331   3HB   ALA  11          3HB       ALA  11  -6.549   1.185   8.011
  332    H    LEU  12           H        LEU  12  -5.092   1.593   3.645
  333    HA   LEU  12           HA       LEU  12  -2.901  -0.367   3.856
  334   1HB   LEU  12          1HB       LEU  12  -4.379  -0.077   1.293
  335   2HB   LEU  12          2HB       LEU  12  -3.599  -1.485   1.978
  336    HG   LEU  12           HG       LEU  12  -6.109  -0.422   3.222
  337   1HD1  LEU  12          1HD1      LEU  12  -6.444  -0.703   0.749
  338   2HD1  LEU  12          2HD1      LEU  12  -6.071  -2.412   0.967
  339   3HD1  LEU  12          3HD1      LEU  12  -7.474  -1.706   1.770
  340   1HD2  LEU  12          1HD2      LEU  12  -4.511  -2.917   3.272
  341   2HD2  LEU  12          2HD2      LEU  12  -5.364  -2.089   4.575
  342   3HD2  LEU  12          3HD2      LEU  12  -6.262  -3.067   3.414
  343    H    LYS  13           H        LYS  13  -4.204   2.263   1.858
  344    HA   LYS  13           HA       LYS  13  -1.700   2.723   0.537
  345   1HB   LYS  13          1HB       LYS  13  -2.868   4.715  -0.411
  346   2HB   LYS  13          2HB       LYS  13  -3.693   3.191  -0.694
  347   1HG   LYS  13          1HG       LYS  13  -5.487   4.383  -0.035
  348   2HG   LYS  13          2HG       LYS  13  -4.913   3.938   1.573
  349   1HD   LYS  13          1HD       LYS  13  -4.458   6.056   2.092
  350   2HD   LYS  13          2HD       LYS  13  -3.580   6.300   0.581
  351   1HE   LYS  13          1HE       LYS  13  -5.919   6.437  -0.496
  352   2HE   LYS  13          2HE       LYS  13  -6.498   6.682   1.151
  353   1HZ   LYS  13          1HZ       LYS  13  -4.514   8.449   1.058
  354   2HZ   LYS  13          2HZ       LYS  13  -4.989   8.470  -0.566
  355   3HZ   LYS  13          3HZ       LYS  13  -6.113   8.824   0.648
  356    H    ALA  14           H        ALA  14  -3.140   3.807   3.463
  357    HA   ALA  14           HA       ALA  14  -2.026   6.338   3.765
  358   1HB   ALA  14          1HB       ALA  14  -2.768   4.216   5.754
  359   2HB   ALA  14          2HB       ALA  14  -2.111   5.773   6.257
  360   3HB   ALA  14          3HB       ALA  14  -3.624   5.705   5.354
  361    H    ARG  15           H        ARG  15  -0.683   3.201   4.797
  362    HA   ARG  15           HA       ARG  15   1.866   4.466   5.400
  363   1HB   ARG  15          1HB       ARG  15   0.820   2.688   6.863
  364   2HB   ARG  15          2HB       ARG  15   1.169   1.535   5.583
  365   1HG   ARG  15          1HG       ARG  15   2.885   1.396   7.243
  366   2HG   ARG  15          2HG       ARG  15   3.568   2.106   5.780
  367   1HD   ARG  15          1HD       ARG  15   4.346   3.729   7.095
  368   2HD   ARG  15          2HD       ARG  15   2.683   4.300   7.198
  369    HE   ARG  15           HE       ARG  15   4.171   2.853   9.233
  370   1HH1  ARG  15          1HH1      ARG  15   1.083   4.106   8.176
  371   2HH1  ARG  15          2HH1      ARG  15   0.382   4.043   9.757
  372   1HH2  ARG  15          1HH2      ARG  15   3.243   2.773  11.307
  373   2HH2  ARG  15          2HH2      ARG  15   1.605   3.288  11.532
  374    H    ASN  16           H        ASN  16   0.438   2.316   3.028
  375    HA   ASN  16           HA       ASN  16   2.806   1.433   1.800
  376   1HB   ASN  16          1HB       ASN  16   0.746   0.292   1.354
  377   2HB   ASN  16          2HB       ASN  16   0.000   1.755   0.728
  378   1HD2  ASN  16          2HD2      ASN  16  -0.398   0.065  -1.007
  379   2HD2  ASN  16          1HD2      ASN  16   0.769  -0.013  -2.279
  380    H    TYR  17           H        TYR  17   0.781   4.281   1.229
  381    HA   TYR  17           HA       TYR  17   1.904   5.210  -1.122
  382   1HB   TYR  17          1HB       TYR  17  -0.048   6.269  -0.131
  383   2HB   TYR  17          2HB       TYR  17   0.908   6.811   1.245
  384    HD1  TYR  17           HD1      TYR  17   0.204   7.340  -2.322
  385    HD2  TYR  17           HD2      TYR  17   2.366   8.724   1.070
  386    HE1  TYR  17           HE1      TYR  17   0.725   9.426  -3.513
  387    HE2  TYR  17           HE2      TYR  17   2.894  10.815  -0.112
  388    HH   TYR  17           HH       TYR  17   2.514  11.211  -3.405
  389    H    ALA  18           H        ALA  18   3.150   5.355   2.145
  390    HA   ALA  18           HA       ALA  18   5.271   7.184   1.539
  391   1HB   ALA  18          1HB       ALA  18   4.861   5.342   3.894
  392   2HB   ALA  18          2HB       ALA  18   6.120   6.573   3.778
  393   3HB   ALA  18          3HB       ALA  18   4.422   7.048   3.797
  394    H    LEU  19           H        LEU  19   5.069   3.661   2.006
  395    HA   LEU  19           HA       LEU  19   7.826   3.186   1.573
  396   1HB   LEU  19          1HB       LEU  19   5.862   1.095   0.803
  397   2HB   LEU  19          2HB       LEU  19   7.353   0.949   1.707
  398    HG   LEU  19           HG       LEU  19   4.680   1.879   2.738
  399   1HD1  LEU  19          1HD1      LEU  19   6.319  -0.571   2.952
  400   2HD1  LEU  19          2HD1      LEU  19   5.499  -0.031   4.417
  401   3HD1  LEU  19          3HD1      LEU  19   4.567  -0.369   2.958
  402   1HD2  LEU  19          1HD2      LEU  19   7.420   2.125   3.928
  403   2HD2  LEU  19          2HD2      LEU  19   6.130   3.326   3.844
  404   3HD2  LEU  19          3HD2      LEU  19   5.993   1.960   4.952
  405    H    LYS  20           H        LYS  20   5.012   2.780  -0.571
  406    HA   LYS  20           HA       LYS  20   6.195   1.954  -2.881
  407   1HB   LYS  20          1HB       LYS  20   3.711   2.851  -2.209
  408   2HB   LYS  20          2HB       LYS  20   4.248   4.126  -3.292
  409   1HG   LYS  20          1HG       LYS  20   4.914   2.102  -4.827
  410   2HG   LYS  20          2HG       LYS  20   3.706   1.257  -3.857
  411   1HD   LYS  20          1HD       LYS  20   2.194   3.282  -4.385
  412   2HD   LYS  20          2HD       LYS  20   3.356   3.620  -5.669
  413   1HE   LYS  20          1HE       LYS  20   2.897   0.960  -6.029
  414   2HE   LYS  20          2HE       LYS  20   1.323   1.516  -5.464
  415   1HZ   LYS  20          1HZ       LYS  20   1.522   3.300  -7.209
  416   2HZ   LYS  20          2HZ       LYS  20   2.832   2.434  -7.839
  417   3HZ   LYS  20          3HZ       LYS  20   1.296   1.728  -7.788
  418    H    GLN  21           H        GLN  21   6.415   5.109  -1.431
  419    HA   GLN  21           HA       GLN  21   7.542   6.348  -3.777
  420   1HB   GLN  21          1HB       GLN  21   6.187   7.712  -2.339
  421   2HB   GLN  21          2HB       GLN  21   7.173   7.308  -0.942
  422   1HG   GLN  21          1HG       GLN  21   8.619   8.937  -1.373
  423   2HG   GLN  21          2HG       GLN  21   8.743   8.484  -3.072
  424   1HE2  GLN  21          2HE2      GLN  21   7.163  10.503  -0.749
  425   2HE2  GLN  21          1HE2      GLN  21   6.360  11.536  -1.879
  426    H    LYS  22           H        LYS  22   8.734   5.191  -0.643
  427    HA   LYS  22           HA       LYS  22  11.462   5.911  -1.344
  428   1HB   LYS  22          1HB       LYS  22  12.004   5.057   0.925
  429   2HB   LYS  22          2HB       LYS  22  10.796   6.336   0.925
  430   1HG   LYS  22          1HG       LYS  22   9.434   5.033   2.079
  431   2HG   LYS  22          2HG       LYS  22   9.410   3.885   0.739
  432   1HD   LYS  22          1HD       LYS  22  10.086   2.783   2.804
  433   2HD   LYS  22          2HD       LYS  22  11.413   2.797   1.641
  434   1HE   LYS  22          1HE       LYS  22  12.560   3.483   3.478
  435   2HE   LYS  22          2HE       LYS  22  11.990   5.055   2.920
  436   1HZ   LYS  22          1HZ       LYS  22  10.661   3.384   4.987
  437   2HZ   LYS  22          2HZ       LYS  22  11.626   4.738   5.298
  438   3HZ   LYS  22          3HZ       LYS  22  10.159   4.918   4.474
  439    H    VAL  23           H        VAL  23   9.446   3.193  -1.691
  440    HA   VAL  23           HA       VAL  23  11.033   1.010  -1.246
  441    HB   VAL  23           HB       VAL  23   9.057   1.500  -3.472
  442   1HG1  VAL  23          1HG1      VAL  23  10.449  -1.083  -2.766
  443   2HG1  VAL  23          2HG1      VAL  23   9.057  -0.944  -3.839
  444   3HG1  VAL  23          3HG1      VAL  23  10.589  -0.191  -4.281
  445   1HG2  VAL  23          1HG2      VAL  23   8.761   1.004  -0.745
  446   2HG2  VAL  23          2HG2      VAL  23   7.510   0.909  -1.982
  447   3HG2  VAL  23          3HG2      VAL  23   8.410  -0.536  -1.527
  448    H    GLN  24           H        GLN  24  10.951   2.956  -4.236
  449    HA   GLN  24           HA       GLN  24  13.071   1.512  -5.474
  450   1HB   GLN  24          1HB       GLN  24  12.317   4.333  -6.185
  451   2HB   GLN  24          2HB       GLN  24  12.931   3.063  -7.234
  452   1HG   GLN  24          1HG       GLN  24  10.765   1.835  -6.791
  453   2HG   GLN  24          2HG       GLN  24  10.181   3.331  -6.062
  454   1HE2  GLN  24          2HE2      GLN  24  12.084   2.559  -8.960
  455   2HE2  GLN  24          1HE2      GLN  24  11.077   3.431 -10.061
  456    H    ALA  25           H        ALA  25  12.884   4.343  -3.426
  457    HA   ALA  25           HA       ALA  25  15.474   5.350  -3.851
  458   1HB   ALA  25          1HB       ALA  25  13.449   6.372  -2.578
  459   2HB   ALA  25          2HB       ALA  25  14.140   5.545  -1.182
  460   3HB   ALA  25          3HB       ALA  25  15.090   6.749  -2.051
  461    H    LEU  26           H        LEU  26  14.270   2.708  -1.927
  462    HA   LEU  26           HA       LEU  26  16.572   2.391  -0.284
  463   1HB   LEU  26          1HB       LEU  26  14.397   0.437  -1.041
  464   2HB   LEU  26          2HB       LEU  26  15.616   0.141   0.183
  465    HG   LEU  26           HG       LEU  26  13.630   2.404   0.317
  466   1HD1  LEU  26          1HD1      LEU  26  13.519  -0.392   1.393
  467   2HD1  LEU  26          2HD1      LEU  26  12.627   0.933   2.141
  468   3HD1  LEU  26          3HD1      LEU  26  12.301   0.485   0.466
  469   1HD2  LEU  26          1HD2      LEU  26  15.930   2.364   1.582
  470   2HD2  LEU  26          2HD2      LEU  26  14.456   2.879   2.403
  471   3HD2  LEU  26          3HD2      LEU  26  15.079   1.247   2.648
  472    H    ARG  27           H        ARG  27  15.367   0.363  -2.963
  473    HA   ARG  27           HA       ARG  27  17.626  -1.216  -3.258
  474   1HB   ARG  27          1HB       ARG  27  16.823  -1.459  -5.680
  475   2HB   ARG  27          2HB       ARG  27  15.715  -1.939  -4.405
  476   1HG   ARG  27          1HG       ARG  27  15.077   0.703  -4.806
  477   2HG   ARG  27          2HG       ARG  27  15.462   0.134  -6.431
  478   1HD   ARG  27          1HD       ARG  27  13.949  -1.916  -5.519
  479   2HD   ARG  27          2HD       ARG  27  13.220  -0.564  -4.655
  480    HE   ARG  27           HE       ARG  27  13.518   0.139  -7.353
  481   1HH1  ARG  27          1HH1      ARG  27  11.657  -2.032  -5.352
  482   2HH1  ARG  27          2HH1      ARG  27  10.297  -2.054  -6.424
  483   1HH2  ARG  27          1HH2      ARG  27  11.730   0.112  -8.763
  484   2HH2  ARG  27          2HH2      ARG  27  10.338  -0.837  -8.360
  485    H    HIS  28           H        HIS  28  16.986   2.005  -4.477
  486    HA   HIS  28           HA       HIS  28  19.149   2.103  -6.314
  487   1HB   HIS  28          1HB       HIS  28  17.022   3.687  -5.911
  488   2HB   HIS  28          2HB       HIS  28  18.226   4.615  -5.025
  489    HD1  HIS  28           HD1      HIS  28  16.788   4.575  -8.222
  490    HD2  HIS  28           HD2      HIS  28  20.705   4.785  -6.852
  491    HE1  HIS  28           HE1      HIS  28  18.150   5.562 -10.112
  492    H    LYS  29           H        LYS  29  18.847   2.708  -2.888
  493    HA   LYS  29           HA       LYS  29  21.422   3.976  -2.652
  494   1HB   LYS  29          1HB       LYS  29  19.139   3.785  -1.051
  495   2HB   LYS  29          2HB       LYS  29  20.377   2.900  -0.170
  496   1HG   LYS  29          1HG       LYS  29  21.763   5.107  -0.854
  497   2HG   LYS  29          2HG       LYS  29  20.135   5.777  -0.726
  498   1HD   LYS  29          1HD       LYS  29  20.902   3.963   1.455
  499   2HD   LYS  29          2HD       LYS  29  21.842   5.454   1.364
  500   1HE   LYS  29          1HE       LYS  29  18.940   5.789   1.046
  501   2HE   LYS  29          2HE       LYS  29  19.452   5.208   2.631
  502   1HZ   LYS  29          1HZ       LYS  29  21.190   7.180   2.250
  503   2HZ   LYS  29          2HZ       LYS  29  19.877   7.794   1.378
  504   3HZ   LYS  29          3HZ       LYS  29  19.696   7.399   3.013
  505    H    GLY  30           H        GLY  30  23.090   2.684  -3.235
  506   1HA   GLY  30          1HA       GLY  30  23.883   0.604  -1.458
  507   2HA   GLY  30          2HA       GLY  30  23.309  -0.059  -2.980
  508   1HN   NH2  31          1HN       NH2  31  25.906   1.372  -1.342
  509   2HN   NH2  31          2HN       NH2  31  26.986   1.523  -2.681
  Start of MODEL    3
    1   1H    ACE   0          1H        ACE   0 -19.708   6.750  -3.995
    2   2H    ACE   0          2H        ACE   0 -20.573   6.131  -2.588
    3   3H    ACE   0          3H        ACE   0 -21.471   6.804  -3.947
    4    H    GLU   1           H        GLU   1 -18.893   5.161  -5.195
    5    HA   GLU   1           HA       GLU   1 -20.548   3.000  -6.120
    6   1HB   GLU   1          1HB       GLU   1 -17.781   3.968  -6.680
    7   2HB   GLU   1          2HB       GLU   1 -18.186   2.311  -7.105
    8   1HG   GLU   1          1HG       GLU   1 -19.498   2.929  -8.820
    9   2HG   GLU   1          2HG       GLU   1 -20.123   4.343  -7.973
   10    H    VAL   2           H        VAL   2 -20.729   1.042  -5.264
   11    HA   VAL   2           HA       VAL   2 -19.353   0.361  -2.856
   12    HB   VAL   2           HB       VAL   2 -21.060  -1.447  -4.570
   13   1HG1  VAL   2          1HG1      VAL   2 -19.812  -1.669  -1.906
   14   2HG1  VAL   2          2HG1      VAL   2 -21.481  -2.226  -2.030
   15   3HG1  VAL   2          3HG1      VAL   2 -20.238  -2.923  -3.069
   16   1HG2  VAL   2          1HG2      VAL   2 -21.756   0.782  -2.766
   17   2HG2  VAL   2          2HG2      VAL   2 -22.637   0.115  -4.140
   18   3HG2  VAL   2          3HG2      VAL   2 -22.697  -0.697  -2.575
   19    H    ALA   3           H        ALA   3 -19.455  -1.236  -6.054
   20    HA   ALA   3           HA       ALA   3 -17.443  -3.097  -5.568
   21   1HB   ALA   3          1HB       ALA   3 -18.696  -1.950  -7.991
   22   2HB   ALA   3          2HB       ALA   3 -17.157  -2.786  -8.202
   23   3HB   ALA   3          3HB       ALA   3 -18.528  -3.632  -7.485
   24    H    GLN   4           H        GLN   4 -17.210   0.170  -6.941
   25    HA   GLN   4           HA       GLN   4 -14.574   0.264  -7.673
   26   1HB   GLN   4          1HB       GLN   4 -16.318   2.367  -6.402
   27   2HB   GLN   4          2HB       GLN   4 -14.681   2.715  -6.942
   28   1HG   GLN   4          1HG       GLN   4 -17.003   1.814  -8.626
   29   2HG   GLN   4          2HG       GLN   4 -16.205   3.386  -8.649
   30   1HE2  GLN   4          2HE2      GLN   4 -16.418   0.443 -10.139
   31   2HE2  GLN   4          1HE2      GLN   4 -14.930   0.464 -11.014
   32    H    LEU   5           H        LEU   5 -15.893   0.199  -4.451
   33    HA   LEU   5           HA       LEU   5 -13.365   0.876  -3.204
   34   1HB   LEU   5          1HB       LEU   5 -16.081   0.121  -2.155
   35   2HB   LEU   5          2HB       LEU   5 -14.689   0.236  -1.095
   36    HG   LEU   5           HG       LEU   5 -15.619   2.520  -2.828
   37   1HD1  LEU   5          1HD1      LEU   5 -16.294   1.927   0.050
   38   2HD1  LEU   5          2HD1      LEU   5 -16.637   3.440  -0.790
   39   3HD1  LEU   5          3HD1      LEU   5 -17.417   1.946  -1.311
   40   1HD2  LEU   5          1HD2      LEU   5 -13.478   2.087  -0.844
   41   2HD2  LEU   5          2HD2      LEU   5 -13.540   3.173  -2.231
   42   3HD2  LEU   5          3HD2      LEU   5 -14.351   3.615  -0.730
   43    H    GLU   6           H        GLU   6 -15.345  -1.965  -3.810
   44    HA   GLU   6           HA       GLU   6 -13.947  -3.798  -2.210
   45   1HB   GLU   6          1HB       GLU   6 -15.520  -4.192  -4.759
   46   2HB   GLU   6          2HB       GLU   6 -14.901  -5.517  -3.783
   47   1HG   GLU   6          1HG       GLU   6 -16.287  -4.918  -1.947
   48   2HG   GLU   6          2HG       GLU   6 -16.757  -3.406  -2.723
   49    H    LYS   7           H        LYS   7 -13.241  -2.421  -5.321
   50    HA   LYS   7           HA       LYS   7 -11.113  -4.342  -5.843
   51   1HB   LYS   7          1HB       LYS   7 -11.598  -1.918  -7.534
   52   2HB   LYS   7          2HB       LYS   7 -11.010  -3.504  -8.010
   53   1HG   LYS   7          1HG       LYS   7 -13.788  -3.318  -6.986
   54   2HG   LYS   7          2HG       LYS   7 -13.451  -2.667  -8.589
   55   1HD   LYS   7          1HD       LYS   7 -12.500  -5.403  -7.840
   56   2HD   LYS   7          2HD       LYS   7 -14.174  -5.147  -8.339
   57   1HE   LYS   7          1HE       LYS   7 -13.082  -5.700 -10.323
   58   2HE   LYS   7          2HE       LYS   7 -13.172  -3.940 -10.370
   59   1HZ   LYS   7          1HZ       LYS   7 -10.791  -5.220  -9.221
   60   2HZ   LYS   7          2HZ       LYS   7 -10.954  -5.152 -10.903
   61   3HZ   LYS   7          3HZ       LYS   7 -10.936  -3.724  -9.996
   62    H    GLU   8           H        GLU   8 -11.572  -1.033  -4.822
   63    HA   GLU   8           HA       GLU   8  -8.953  -0.098  -5.164
   64   1HB   GLU   8          1HB       GLU   8 -11.049   1.232  -4.596
   65   2HB   GLU   8          2HB       GLU   8 -10.775   0.754  -2.926
   66   1HG   GLU   8          1HG       GLU   8  -8.621   1.854  -2.933
   67   2HG   GLU   8          2HG       GLU   8  -8.810   2.262  -4.637
   68    H    VAL   9           H        VAL   9 -10.309  -2.271  -2.854
   69    HA   VAL   9           HA       VAL   9  -8.222  -1.934  -0.892
   70    HB   VAL   9           HB       VAL   9 -10.348  -4.068  -1.166
   71   1HG1  VAL   9          1HG1      VAL   9  -8.320  -3.564   1.002
   72   2HG1  VAL   9          2HG1      VAL   9  -9.779  -4.522   1.249
   73   3HG1  VAL   9          3HG1      VAL   9  -8.573  -5.040   0.073
   74   1HG2  VAL   9          1HG2      VAL   9 -11.131  -1.743  -0.718
   75   2HG2  VAL   9          2HG2      VAL   9 -11.519  -2.894   0.561
   76   3HG2  VAL   9          3HG2      VAL   9 -10.183  -1.763   0.769
   77    H    ALA  10           H        ALA  10  -9.188  -4.613  -3.047
   78    HA   ALA  10           HA       ALA  10  -7.000  -6.263  -2.611
   79   1HB   ALA  10          1HB       ALA  10  -8.758  -5.904  -5.024
   80   2HB   ALA  10          2HB       ALA  10  -7.500  -7.137  -4.939
   81   3HB   ALA  10          3HB       ALA  10  -8.837  -7.161  -3.789
   82    H    GLN  11           H        GLN  11  -7.247  -3.330  -4.431
   83    HA   GLN  11           HA       GLN  11  -4.991  -3.664  -6.105
   84   1HB   GLN  11          1HB       GLN  11  -6.691  -1.981  -6.569
   85   2HB   GLN  11          2HB       GLN  11  -6.314  -1.151  -5.067
   86   1HG   GLN  11          1HG       GLN  11  -4.881   0.102  -6.189
   87   2HG   GLN  11          2HG       GLN  11  -3.890  -1.334  -6.440
   88   1HE2  GLN  11          2HE2      GLN  11  -7.041  -0.413  -7.764
   89   2HE2  GLN  11          1HE2      GLN  11  -6.561  -0.480  -9.422
   90    H    LEU  12           H        LEU  12  -5.411  -1.971  -2.994
   91    HA   LEU  12           HA       LEU  12  -2.580  -1.471  -2.767
   92   1HB   LEU  12          1HB       LEU  12  -4.747  -1.132  -0.694
   93   2HB   LEU  12          2HB       LEU  12  -3.125  -0.475  -0.617
   94    HG   LEU  12           HG       LEU  12  -5.116   0.286  -2.750
   95   1HD1  LEU  12          1HD1      LEU  12  -4.497   1.595  -0.110
   96   2HD1  LEU  12          2HD1      LEU  12  -5.332   2.402  -1.438
   97   3HD1  LEU  12          3HD1      LEU  12  -6.054   0.987  -0.670
   98   1HD2  LEU  12          1HD2      LEU  12  -2.767   0.629  -3.332
   99   2HD2  LEU  12          2HD2      LEU  12  -3.602   2.165  -3.106
  100   3HD2  LEU  12          3HD2      LEU  12  -2.531   1.551  -1.847
  101    H    GLU  13           H        GLU  13  -4.887  -3.806  -1.542
  102    HA   GLU  13           HA       GLU  13  -3.367  -4.880   0.549
  103   1HB   GLU  13          1HB       GLU  13  -5.640  -5.802  -1.116
  104   2HB   GLU  13          2HB       GLU  13  -4.730  -7.050  -0.275
  105   1HG   GLU  13          1HG       GLU  13  -5.097  -5.848   1.845
  106   2HG   GLU  13          2HG       GLU  13  -6.084  -4.673   0.976
  107    H    ALA  14           H        ALA  14  -3.052  -5.194  -2.881
  108    HA   ALA  14           HA       ALA  14  -1.314  -7.519  -2.683
  109   1HB   ALA  14          1HB       ALA  14  -2.352  -5.923  -5.010
  110   2HB   ALA  14          2HB       ALA  14  -1.148  -7.199  -5.189
  111   3HB   ALA  14          3HB       ALA  14  -2.750  -7.579  -4.555
  112    H    GLU  15           H        GLU  15  -1.119  -4.070  -3.398
  113    HA   GLU  15           HA       GLU  15   1.718  -4.180  -3.926
  114   1HB   GLU  15          1HB       GLU  15  -0.008  -2.547  -4.946
  115   2HB   GLU  15          2HB       GLU  15   0.146  -1.665  -3.432
  116   1HG   GLU  15          1HG       GLU  15   2.065  -0.748  -4.059
  117   2HG   GLU  15          2HG       GLU  15   2.731  -2.303  -4.558
  118    H    ASN  16           H        ASN  16  -0.329  -2.654  -1.435
  119    HA   ASN  16           HA       ASN  16   1.633  -1.661   0.219
  120   1HB   ASN  16          1HB       ASN  16  -0.764  -1.239   0.538
  121   2HB   ASN  16          2HB       ASN  16  -0.998  -2.907   1.047
  122   1HD2  ASN  16          2HD2      ASN  16  -1.868  -2.046   2.993
  123   2HD2  ASN  16          1HD2      ASN  16  -0.821  -1.496   4.252
  124    H    TYR  17           H        TYR  17   0.577  -4.964  -0.171
  125    HA   TYR  17           HA       TYR  17   2.056  -5.893   2.143
  126   1HB   TYR  17          1HB       TYR  17  -0.003  -7.035   1.681
  127   2HB   TYR  17          2HB       TYR  17   0.465  -7.327   0.011
  128    HD1  TYR  17           HD1      TYR  17   1.959  -7.963   3.386
  129    HD2  TYR  17           HD2      TYR  17   0.978  -9.519  -0.451
  130    HE1  TYR  17           HE1      TYR  17   2.894 -10.142   4.037
  131    HE2  TYR  17           HE2      TYR  17   1.910 -11.703   0.190
  132    HH   TYR  17           HH       TYR  17   3.696 -12.508   1.917
  133    H    GLN  18           H        GLN  18   2.284  -6.088  -1.384
  134    HA   GLN  18           HA       GLN  18   4.494  -7.769  -1.579
  135   1HB   GLN  18          1HB       GLN  18   3.095  -5.878  -3.319
  136   2HB   GLN  18          2HB       GLN  18   4.804  -6.035  -3.700
  137   1HG   GLN  18          1HG       GLN  18   4.555  -8.434  -3.943
  138   2HG   GLN  18          2HG       GLN  18   2.855  -8.319  -3.491
  139   1HE2  GLN  18          2HE2      GLN  18   5.183  -7.073  -5.850
  140   2HE2  GLN  18          1HE2      GLN  18   4.079  -7.024  -7.177
  141    H    LEU  19           H        LEU  19   4.358  -4.247  -1.201
  142    HA   LEU  19           HA       LEU  19   7.173  -3.873  -1.388
  143   1HB   LEU  19          1HB       LEU  19   5.023  -2.115  -0.213
  144   2HB   LEU  19          2HB       LEU  19   6.685  -1.618  -0.462
  145    HG   LEU  19           HG       LEU  19   4.674  -2.326  -2.596
  146   1HD1  LEU  19          1HD1      LEU  19   5.035   0.034  -1.257
  147   2HD1  LEU  19          2HD1      LEU  19   6.046   0.246  -2.686
  148   3HD1  LEU  19          3HD1      LEU  19   4.334  -0.136  -2.868
  149   1HD2  LEU  19          1HD2      LEU  19   7.599  -2.254  -2.644
  150   2HD2  LEU  19          2HD2      LEU  19   6.461  -2.981  -3.778
  151   3HD2  LEU  19          3HD2      LEU  19   6.830  -1.261  -3.884
  152    H    GLU  20           H        GLU  20   4.904  -3.991   1.348
  153    HA   GLU  20           HA       GLU  20   6.659  -3.504   3.419
  154   1HB   GLU  20          1HB       GLU  20   4.083  -3.954   3.394
  155   2HB   GLU  20          2HB       GLU  20   4.557  -5.616   3.718
  156   1HG   GLU  20          1HG       GLU  20   5.664  -4.965   5.744
  157   2HG   GLU  20          2HG       GLU  20   5.388  -3.259   5.393
  158    H    GLN  21           H        GLN  21   6.377  -6.335   1.437
  159    HA   GLN  21           HA       GLN  21   8.076  -7.891   3.234
  160   1HB   GLN  21          1HB       GLN  21   5.951  -8.608   1.644
  161   2HB   GLN  21          2HB       GLN  21   7.328  -9.114   0.677
  162   1HG   GLN  21          1HG       GLN  21   8.176 -10.357   2.660
  163   2HG   GLN  21          2HG       GLN  21   6.670  -9.958   3.487
  164   1HE2  GLN  21          2HE2      GLN  21   7.312 -12.549   3.223
  165   2HE2  GLN  21          1HE2      GLN  21   6.299 -13.319   2.055
  166    H    GLU  22           H        GLU  22   8.209  -6.101   0.267
  167    HA   GLU  22           HA       GLU  22  10.757  -7.275  -0.511
  168   1HB   GLU  22          1HB       GLU  22   8.693  -6.216  -1.963
  169   2HB   GLU  22          2HB       GLU  22   9.841  -4.884  -1.955
  170   1HG   GLU  22          1HG       GLU  22  10.934  -7.550  -2.583
  171   2HG   GLU  22          2HG       GLU  22   9.851  -6.839  -3.779
  172    H    VAL  23           H        VAL  23   9.528  -4.459   1.101
  173    HA   VAL  23           HA       VAL  23  11.907  -2.884   0.817
  174    HB   VAL  23           HB       VAL  23   9.702  -2.548   2.854
  175   1HG1  VAL  23          1HG1      VAL  23  12.015  -0.903   1.976
  176   2HG1  VAL  23          2HG1      VAL  23  10.516  -0.074   2.396
  177   3HG1  VAL  23          3HG1      VAL  23  11.315  -1.107   3.581
  178   1HG2  VAL  23          1HG2      VAL  23   9.342  -2.514   0.145
  179   2HG2  VAL  23          2HG2      VAL  23   8.348  -1.644   1.312
  180   3HG2  VAL  23          3HG2      VAL  23   9.672  -0.817   0.494
  181    H    ALA  24           H        ALA  24  10.720  -5.248   3.086
  182    HA   ALA  24           HA       ALA  24  12.295  -4.675   5.313
  183   1HB   ALA  24          1HB       ALA  24  10.397  -6.397   5.014
  184   2HB   ALA  24          2HB       ALA  24  11.682  -7.492   4.504
  185   3HB   ALA  24          3HB       ALA  24  11.721  -6.778   6.116
  186    H    GLN  25           H        GLN  25  13.171  -6.039   2.254
  187    HA   GLN  25           HA       GLN  25  15.746  -6.968   3.283
  188   1HB   GLN  25          1HB       GLN  25  14.573  -7.208   0.507
  189   2HB   GLN  25          2HB       GLN  25  16.062  -7.959   1.066
  190   1HG   GLN  25          1HG       GLN  25  14.305  -8.888   2.901
  191   2HG   GLN  25          2HG       GLN  25  13.269  -8.754   1.481
  192   1HE2  GLN  25          2HE2      GLN  25  16.190 -10.203   2.762
  193   2HE2  GLN  25          1HE2      GLN  25  16.261 -11.515   1.640
  194    H    LEU  26           H        LEU  26  14.360  -4.585   1.087
  195    HA   LEU  26           HA       LEU  26  16.717  -3.640  -0.072
  196   1HB   LEU  26          1HB       LEU  26  14.167  -2.162   0.575
  197   2HB   LEU  26          2HB       LEU  26  15.444  -1.531  -0.447
  198    HG   LEU  26           HG       LEU  26  13.957  -4.080  -1.054
  199   1HD1  LEU  26          1HD1      LEU  26  12.757  -1.664  -1.019
  200   2HD1  LEU  26          2HD1      LEU  26  13.419  -1.672  -2.654
  201   3HD1  LEU  26          3HD1      LEU  26  12.333  -2.962  -2.137
  202   1HD2  LEU  26          1HD2      LEU  26  15.920  -2.364  -2.538
  203   2HD2  LEU  26          2HD2      LEU  26  15.987  -4.096  -2.216
  204   3HD2  LEU  26          3HD2      LEU  26  14.825  -3.460  -3.379
  205    H    GLU  27           H        GLU  27  14.912  -2.039   2.563
  206    HA   GLU  27           HA       GLU  27  17.299  -0.576   3.319
  207   1HB   GLU  27          1HB       GLU  27  15.798   0.489   5.001
  208   2HB   GLU  27          2HB       GLU  27  15.237   0.655   3.344
  209   1HG   GLU  27          1HG       GLU  27  13.284  -0.175   3.952
  210   2HG   GLU  27          2HG       GLU  27  14.077  -1.701   4.340
  211    H    HIS  28           H        HIS  28  18.076  -3.007   3.711
  212    HA   HIS  28           HA       HIS  28  17.355  -4.239   6.154
  213   1HB   HIS  28          1HB       HIS  28  18.633  -5.207   4.101
  214   2HB   HIS  28          2HB       HIS  28  20.065  -4.570   4.904
  215    HD1  HIS  28           HD1      HIS  28  18.441  -7.643   4.575
  216    HD2  HIS  28           HD2      HIS  28  19.862  -5.518   7.850
  217    HE1  HIS  28           HE1      HIS  28  18.757  -9.330   6.433
  218    H    GLU  29           H        GLU  29  19.640  -1.741   5.312
  219    HA   GLU  29           HA       GLU  29  21.284  -1.810   7.575
  220   1HB   GLU  29          1HB       GLU  29  20.908  -0.119   5.326
  221   2HB   GLU  29          2HB       GLU  29  20.880   0.904   6.755
  222   1HG   GLU  29          1HG       GLU  29  23.120   0.767   5.909
  223   2HG   GLU  29          2HG       GLU  29  23.028  -0.067   7.460
  224    H    GLY  30           H        GLY  30  18.095  -0.451   7.074
  225   1HA   GLY  30          1HA       GLY  30  18.135   0.675   9.791
  226   2HA   GLY  30          2HA       GLY  30  16.975   1.082   8.537
  227   1HN   NH2  31          1HN       NH2  31  18.052  -1.652  10.519
  228   2HN   NH2  31          2HN       NH2  31  16.484  -2.351  10.716
  229   1H    ACE   0          1H        ACE   0 -21.215  -1.524   6.436
  230   2H    ACE   0          2H        ACE   0 -19.825  -0.452   6.601
  231   3H    ACE   0          3H        ACE   0 -19.656  -2.174   6.941
  232    H    GLU   1           H        GLU   1 -21.674  -1.397   4.298
  233    HA   GLU   1           HA       GLU   1 -20.100  -2.800   2.433
  234   1HB   GLU   1          1HB       GLU   1 -22.274  -0.801   1.810
  235   2HB   GLU   1          2HB       GLU   1 -21.726  -2.123   0.788
  236   1HG   GLU   1          1HG       GLU   1 -23.202  -2.344   3.399
  237   2HG   GLU   1          2HG       GLU   1 -23.820  -2.710   1.790
  238    H    VAL   2           H        VAL   2 -20.987   0.649   2.317
  239    HA   VAL   2           HA       VAL   2 -18.685   1.208   0.634
  240    HB   VAL   2           HB       VAL   2 -20.684   3.201   1.683
  241   1HG1  VAL   2          1HG1      VAL   2 -18.855   3.196  -0.714
  242   2HG1  VAL   2          2HG1      VAL   2 -20.048   4.443  -0.352
  243   3HG1  VAL   2          3HG1      VAL   2 -18.686   4.182   0.739
  244   1HG2  VAL   2          1HG2      VAL   2 -20.973   1.133  -0.399
  245   2HG2  VAL   2          2HG2      VAL   2 -22.199   1.947   0.571
  246   3HG2  VAL   2          3HG2      VAL   2 -21.512   2.753  -0.840
  247    H    GLN   3           H        GLN   3 -19.407   1.263   3.946
  248    HA   GLN   3           HA       GLN   3 -17.446   3.322   4.550
  249   1HB   GLN   3          1HB       GLN   3 -19.646   3.167   5.769
  250   2HB   GLN   3          2HB       GLN   3 -19.060   1.684   6.506
  251   1HG   GLN   3          1HG       GLN   3 -17.481   2.781   7.780
  252   2HG   GLN   3          2HG       GLN   3 -17.451   4.187   6.718
  253   1HE2  GLN   3          2HE2      GLN   3 -19.089   5.730   6.881
  254   2HE2  GLN   3          1HE2      GLN   3 -20.102   5.840   8.276
  255    H    ALA   4           H        ALA   4 -18.035   0.106   5.952
  256    HA   ALA   4           HA       ALA   4 -15.558  -0.283   7.087
  257   1HB   ALA   4          1HB       ALA   4 -17.761  -1.649   7.241
  258   2HB   ALA   4          2HB       ALA   4 -17.028  -2.620   5.964
  259   3HB   ALA   4          3HB       ALA   4 -16.210  -2.442   7.516
  260    H    LEU   5           H        LEU   5 -16.283  -0.350   3.741
  261    HA   LEU   5           HA       LEU   5 -13.838  -1.871   3.146
  262   1HB   LEU   5          1HB       LEU   5 -16.340  -1.276   1.679
  263   2HB   LEU   5          2HB       LEU   5 -14.882  -1.427   0.729
  264    HG   LEU   5           HG       LEU   5 -15.531  -3.589   2.679
  265   1HD1  LEU   5          1HD1      LEU   5 -16.923  -3.150   0.047
  266   2HD1  LEU   5          2HD1      LEU   5 -16.852  -4.711   0.866
  267   3HD1  LEU   5          3HD1      LEU   5 -17.653  -3.345   1.641
  268   1HD2  LEU   5          1HD2      LEU   5 -13.450  -3.321   1.117
  269   2HD2  LEU   5          2HD2      LEU   5 -14.209  -4.898   1.330
  270   3HD2  LEU   5          3HD2      LEU   5 -14.548  -3.943  -0.113
  271    H    LYS   6           H        LYS   6 -15.388   1.174   2.941
  272    HA   LYS   6           HA       LYS   6 -13.658   2.478   1.133
  273   1HB   LYS   6          1HB       LYS   6 -15.856   3.277   1.443
  274   2HB   LYS   6          2HB       LYS   6 -15.664   3.323   3.183
  275   1HG   LYS   6          1HG       LYS   6 -15.423   5.523   2.834
  276   2HG   LYS   6          2HG       LYS   6 -13.761   5.089   2.433
  277   1HD   LYS   6          1HD       LYS   6 -14.033   5.599   0.265
  278   2HD   LYS   6          2HD       LYS   6 -15.619   4.827   0.193
  279   1HE   LYS   6          1HE       LYS   6 -15.196   7.479   1.539
  280   2HE   LYS   6          2HE       LYS   6 -15.514   7.352  -0.191
  281   1HZ   LYS   6          1HZ       LYS   6 -17.331   5.898   1.551
  282   2HZ   LYS   6          2HZ       LYS   6 -17.426   7.585   1.632
  283   3HZ   LYS   6          3HZ       LYS   6 -17.654   6.794   0.153
  284    H    LYS   7           H        LYS   7 -14.085   3.070   4.614
  285    HA   LYS   7           HA       LYS   7 -11.767   4.581   4.950
  286   1HB   LYS   7          1HB       LYS   7 -13.504   3.033   6.842
  287   2HB   LYS   7          2HB       LYS   7 -12.060   3.856   7.416
  288   1HG   LYS   7          1HG       LYS   7 -13.487   5.556   7.748
  289   2HG   LYS   7          2HG       LYS   7 -13.214   5.852   6.030
  290   1HD   LYS   7          1HD       LYS   7 -15.238   3.930   6.123
  291   2HD   LYS   7          2HD       LYS   7 -15.635   5.076   7.405
  292   1HE   LYS   7          1HE       LYS   7 -14.784   6.282   4.862
  293   2HE   LYS   7          2HE       LYS   7 -16.305   5.394   4.798
  294   1HZ   LYS   7          1HZ       LYS   7 -16.801   6.764   6.940
  295   2HZ   LYS   7          2HZ       LYS   7 -15.629   7.813   6.315
  296   3HZ   LYS   7          3HZ       LYS   7 -17.017   7.462   5.414
  297    H    ARG   8           H        ARG   8 -12.098   1.178   4.596
  298    HA   ARG   8           HA       ARG   8  -9.731   0.480   6.049
  299   1HB   ARG   8          1HB       ARG   8 -10.133  -1.731   5.414
  300   2HB   ARG   8          2HB       ARG   8 -11.735  -1.028   5.550
  301   1HG   ARG   8          1HG       ARG   8 -12.205  -1.430   3.412
  302   2HG   ARG   8          2HG       ARG   8 -10.652  -0.811   2.859
  303   1HD   ARG   8          1HD       ARG   8 -10.105  -2.916   2.385
  304   2HD   ARG   8          2HD       ARG   8 -10.017  -3.195   4.121
  305    HE   ARG   8           HE       ARG   8 -12.068  -4.101   2.318
  306   1HH1  ARG   8          1HH1      ARG   8 -11.281  -3.371   5.641
  307   2HH1  ARG   8          2HH1      ARG   8 -12.516  -4.397   6.289
  308   1HH2  ARG   8          1HH2      ARG   8 -13.693  -5.451   3.172
  309   2HH2  ARG   8          2HH2      ARG   8 -13.884  -5.579   4.889
  310    H    VAL   9           H        VAL   9 -10.417   1.482   2.793
  311    HA   VAL   9           HA       VAL   9  -8.153   0.464   1.492
  312    HB   VAL   9           HB       VAL   9  -9.636   3.034   0.908
  313   1HG1  VAL   9          1HG1      VAL   9  -7.345   2.811  -0.120
  314   2HG1  VAL   9          2HG1      VAL   9  -7.957   1.404  -0.988
  315   3HG1  VAL   9          3HG1      VAL   9  -8.673   2.990  -1.266
  316   1HG2  VAL   9          1HG2      VAL   9 -10.180   0.185   0.335
  317   2HG2  VAL   9          2HG2      VAL   9 -11.296   1.530   0.569
  318   3HG2  VAL   9          3HG2      VAL   9 -10.471   1.327  -0.977
  319    H    GLN  10           H        GLN  10  -8.669   3.661   2.979
  320    HA   GLN  10           HA       GLN  10  -6.182   4.763   2.503
  321   1HB   GLN  10          1HB       GLN  10  -6.620   6.266   4.339
  322   2HB   GLN  10          2HB       GLN  10  -8.122   5.970   3.474
  323   1HG   GLN  10          1HG       GLN  10  -9.064   5.444   5.402
  324   2HG   GLN  10          2HG       GLN  10  -8.020   4.026   5.478
  325   1HE2  GLN  10          2HE2      GLN  10  -9.040   6.558   7.203
  326   2HE2  GLN  10          1HE2      GLN  10  -7.678   6.807   8.237
  327    H    ALA  11           H        ALA  11  -7.102   2.331   4.814
  328    HA   ALA  11           HA       ALA  11  -4.796   2.532   6.473
  329   1HB   ALA  11          1HB       ALA  11  -7.081   0.684   6.201
  330   2HB   ALA  11          2HB       ALA  11  -5.616   0.019   6.924
  331   3HB   ALA  11          3HB       ALA  11  -6.388   1.434   7.639
  332    H    LEU  12           H        LEU  12  -5.372   1.138   3.385
  333    HA   LEU  12           HA       LEU  12  -3.109  -0.685   3.578
  334   1HB   LEU  12          1HB       LEU  12  -4.503  -0.148   1.002
  335   2HB   LEU  12          2HB       LEU  12  -3.821  -1.642   1.603
  336    HG   LEU  12           HG       LEU  12  -6.276  -0.494   2.887
  337   1HD1  LEU  12          1HD1      LEU  12  -6.556  -0.630   0.376
  338   2HD1  LEU  12          2HD1      LEU  12  -6.359  -2.374   0.546
  339   3HD1  LEU  12          3HD1      LEU  12  -7.703  -1.557   1.343
  340   1HD2  LEU  12          1HD2      LEU  12  -4.730  -2.618   3.527
  341   2HD2  LEU  12          2HD2      LEU  12  -6.451  -2.500   3.891
  342   3HD2  LEU  12          3HD2      LEU  12  -5.910  -3.380   2.462
  343    H    LYS  13           H        LYS  13  -4.075   2.185   1.737
  344    HA   LYS  13           HA       LYS  13  -1.507   2.420   0.464
  345   1HB   LYS  13          1HB       LYS  13  -2.439   4.545  -0.438
  346   2HB   LYS  13          2HB       LYS  13  -3.428   3.134  -0.777
  347   1HG   LYS  13          1HG       LYS  13  -5.140   4.327  -0.012
  348   2HG   LYS  13          2HG       LYS  13  -4.464   4.067   1.597
  349   1HD   LYS  13          1HD       LYS  13  -4.356   6.294   1.746
  350   2HD   LYS  13          2HD       LYS  13  -2.984   6.171   0.641
  351   1HE   LYS  13          1HE       LYS  13  -5.469   6.107  -0.814
  352   2HE   LYS  13          2HE       LYS  13  -5.394   7.532   0.221
  353   1HZ   LYS  13          1HZ       LYS  13  -3.198   8.018  -0.757
  354   2HZ   LYS  13          2HZ       LYS  13  -3.399   6.719  -1.822
  355   3HZ   LYS  13          3HZ       LYS  13  -4.447   8.045  -1.900
  356    H    ALA  14           H        ALA  14  -2.837   3.443   3.444
  357    HA   ALA  14           HA       ALA  14  -1.528   5.864   3.889
  358   1HB   ALA  14          1HB       ALA  14  -2.675   3.746   5.608
  359   2HB   ALA  14          2HB       ALA  14  -1.548   4.870   6.370
  360   3HB   ALA  14          3HB       ALA  14  -2.998   5.481   5.571
  361    H    ARG  15           H        ARG  15  -0.459   2.592   4.820
  362    HA   ARG  15           HA       ARG  15   2.166   3.551   5.528
  363   1HB   ARG  15          1HB       ARG  15   1.017   1.682   6.725
  364   2HB   ARG  15          2HB       ARG  15   1.194   0.700   5.277
  365   1HG   ARG  15          1HG       ARG  15   2.952   0.053   6.676
  366   2HG   ARG  15          2HG       ARG  15   3.691   1.121   5.480
  367   1HD   ARG  15          1HD       ARG  15   4.555   2.217   7.225
  368   2HD   ARG  15          2HD       ARG  15   2.932   2.860   7.469
  369    HE   ARG  15           HE       ARG  15   2.722   1.540   9.330
  370   1HH1  ARG  15          1HH1      ARG  15   5.466   0.452   7.469
  371   2HH1  ARG  15          2HH1      ARG  15   6.019  -0.644   8.690
  372   1HH2  ARG  15          1HH2      ARG  15   3.447   0.098  10.938
  373   2HH2  ARG  15          2HH2      ARG  15   4.872  -0.846  10.659
  374    H    ASN  16           H        ASN  16   0.683   1.808   2.857
  375    HA   ASN  16           HA       ASN  16   3.037   1.006   1.552
  376   1HB   ASN  16          1HB       ASN  16   0.911   0.037   0.951
  377   2HB   ASN  16          2HB       ASN  16   0.284   1.602   0.457
  378   1HD2  ASN  16          2HD2      ASN  16  -0.128   1.160  -1.639
  379   2HD2  ASN  16          1HD2      ASN  16   1.082   0.741  -2.798
  380    H    TYR  17           H        TYR  17   1.143   3.984   1.354
  381    HA   TYR  17           HA       TYR  17   2.329   5.173  -0.844
  382   1HB   TYR  17          1HB       TYR  17   0.399   6.152   0.282
  383   2HB   TYR  17          2HB       TYR  17   1.378   6.496   1.706
  384    HD1  TYR  17           HD1      TYR  17   1.371   7.194  -1.968
  385    HD2  TYR  17           HD2      TYR  17   2.205   8.637   1.946
  386    HE1  TYR  17           HE1      TYR  17   1.961   9.388  -2.910
  387    HE2  TYR  17           HE2      TYR  17   2.796  10.835   1.016
  388    HH   TYR  17           HH       TYR  17   2.323  12.165  -1.011
  389    H    ALA  18           H        ALA  18   3.500   4.944   2.465
  390    HA   ALA  18           HA       ALA  18   5.691   6.731   2.119
  391   1HB   ALA  18          1HB       ALA  18   4.664   6.110   4.318
  392   2HB   ALA  18          2HB       ALA  18   5.451   4.539   4.173
  393   3HB   ALA  18          3HB       ALA  18   6.425   6.006   4.271
  394    H    LEU  19           H        LEU  19   5.388   3.187   2.051
  395    HA   LEU  19           HA       LEU  19   8.134   2.696   1.581
  396   1HB   LEU  19          1HB       LEU  19   6.122   0.818   0.463
  397   2HB   LEU  19          2HB       LEU  19   7.593   0.482   1.349
  398    HG   LEU  19           HG       LEU  19   4.946   1.352   2.499
  399   1HD1  LEU  19          1HD1      LEU  19   5.306  -1.051   1.814
  400   2HD1  LEU  19          2HD1      LEU  19   6.545  -1.128   3.066
  401   3HD1  LEU  19          3HD1      LEU  19   4.870  -0.781   3.501
  402   1HD2  LEU  19          1HD2      LEU  19   7.010   2.390   3.578
  403   2HD2  LEU  19          2HD2      LEU  19   5.921   1.484   4.629
  404   3HD2  LEU  19          3HD2      LEU  19   7.427   0.751   4.078
  405    H    LYS  20           H        LYS  20   5.357   2.650  -0.655
  406    HA   LYS  20           HA       LYS  20   6.554   2.188  -3.040
  407   1HB   LYS  20          1HB       LYS  20   4.091   3.051  -2.277
  408   2HB   LYS  20          2HB       LYS  20   4.691   4.470  -3.126
  409   1HG   LYS  20          1HG       LYS  20   4.467   3.508  -5.125
  410   2HG   LYS  20          2HG       LYS  20   5.165   1.985  -4.571
  411   1HD   LYS  20          1HD       LYS  20   3.147   1.059  -4.422
  412   2HD   LYS  20          2HD       LYS  20   2.581   2.364  -3.378
  413   1HE   LYS  20          1HE       LYS  20   2.816   2.965  -6.267
  414   2HE   LYS  20          2HE       LYS  20   1.531   1.857  -5.788
  415   1HZ   LYS  20          1HZ       LYS  20   1.226   3.799  -3.989
  416   2HZ   LYS  20          2HZ       LYS  20   1.800   4.701  -5.298
  417   3HZ   LYS  20          3HZ       LYS  20   0.406   3.758  -5.467
  418    H    GLN  21           H        GLN  21   6.845   5.083  -1.122
  419    HA   GLN  21           HA       GLN  21   8.057   6.626  -3.228
  420   1HB   GLN  21          1HB       GLN  21   6.746   7.805  -1.606
  421   2HB   GLN  21          2HB       GLN  21   7.681   7.133  -0.279
  422   1HG   GLN  21          1HG       GLN  21   9.522   8.488  -0.731
  423   2HG   GLN  21          2HG       GLN  21   8.970   8.848  -2.366
  424   1HE2  GLN  21          2HE2      GLN  21   8.902  11.026  -2.247
  425   2HE2  GLN  21          1HE2      GLN  21   7.866  11.910  -1.184
  426    H    LYS  22           H        LYS  22   9.178   4.912  -0.329
  427    HA   LYS  22           HA       LYS  22  11.934   5.650  -0.894
  428   1HB   LYS  22          1HB       LYS  22  12.433   4.373   1.191
  429   2HB   LYS  22          2HB       LYS  22  11.309   5.705   1.415
  430   1HG   LYS  22          1HG       LYS  22   9.815   4.335   2.293
  431   2HG   LYS  22          2HG       LYS  22   9.819   3.354   0.827
  432   1HD   LYS  22          1HD       LYS  22  10.395   1.907   2.620
  433   2HD   LYS  22          2HD       LYS  22  11.882   2.220   1.722
  434   1HE   LYS  22          1HE       LYS  22  12.597   2.500   3.891
  435   2HE   LYS  22          2HE       LYS  22  12.177   4.154   3.450
  436   1HZ   LYS  22          1HZ       LYS  22  10.094   2.492   4.658
  437   2HZ   LYS  22          2HZ       LYS  22  11.326   3.063   5.667
  438   3HZ   LYS  22          3HZ       LYS  22  10.368   4.156   4.802
  439    H    VAL  23           H        VAL  23   9.861   2.824  -1.067
  440    HA   VAL  23           HA       VAL  23  11.404   0.667  -1.239
  441    HB   VAL  23           HB       VAL  23   9.296   1.422  -3.266
  442   1HG1  VAL  23          1HG1      VAL  23  10.949  -1.011  -2.978
  443   2HG1  VAL  23          2HG1      VAL  23   9.224  -1.258  -3.249
  444   3HG1  VAL  23          3HG1      VAL  23  10.172  -0.326  -4.406
  445   1HG2  VAL  23          1HG2      VAL  23   9.051   0.931  -0.569
  446   2HG2  VAL  23          2HG2      VAL  23   7.763   0.797  -1.766
  447   3HG2  VAL  23          3HG2      VAL  23   8.682  -0.633  -1.294
  448    H    GLN  24           H        GLN  24  10.969   2.807  -4.066
  449    HA   GLN  24           HA       GLN  24  12.971   1.518  -5.609
  450   1HB   GLN  24          1HB       GLN  24  12.072   4.362  -6.010
  451   2HB   GLN  24          2HB       GLN  24  12.643   3.220  -7.217
  452   1HG   GLN  24          1HG       GLN  24  10.036   3.057  -5.720
  453   2HG   GLN  24          2HG       GLN  24  10.247   3.566  -7.394
  454   1HE2  GLN  24          2HE2      GLN  24   8.862   1.253  -5.973
  455   2HE2  GLN  24          1HE2      GLN  24   9.376  -0.138  -6.861
  456    H    ALA  25           H        ALA  25  12.943   4.427  -3.597
  457    HA   ALA  25           HA       ALA  25  15.476   5.410  -4.166
  458   1HB   ALA  25          1HB       ALA  25  13.494   6.214  -2.554
  459   2HB   ALA  25          2HB       ALA  25  14.605   5.569  -1.347
  460   3HB   ALA  25          3HB       ALA  25  15.138   6.841  -2.446
  461    H    LEU  26           H        LEU  26  14.503   2.744  -2.118
  462    HA   LEU  26           HA       LEU  26  17.024   2.426  -0.817
  463   1HB   LEU  26          1HB       LEU  26  14.804   0.413  -1.193
  464   2HB   LEU  26          2HB       LEU  26  16.134   0.281  -0.057
  465    HG   LEU  26           HG       LEU  26  13.945   2.357   0.027
  466   1HD1  LEU  26          1HD1      LEU  26  14.432  -0.191   1.524
  467   2HD1  LEU  26          2HD1      LEU  26  13.492   1.123   2.231
  468   3HD1  LEU  26          3HD1      LEU  26  12.961   0.368   0.728
  469   1HD2  LEU  26          1HD2      LEU  26  16.138   3.164   0.848
  470   2HD2  LEU  26          2HD2      LEU  26  14.912   3.073   2.112
  471   3HD2  LEU  26          3HD2      LEU  26  16.160   1.831   2.003
  472    H    ARG  27           H        ARG  27  15.374   0.341  -3.193
  473    HA   ARG  27           HA       ARG  27  17.516  -1.296  -3.798
  474   1HB   ARG  27          1HB       ARG  27  16.334  -1.614  -6.036
  475   2HB   ARG  27          2HB       ARG  27  15.411  -1.977  -4.586
  476   1HG   ARG  27          1HG       ARG  27  14.744   0.610  -4.956
  477   2HG   ARG  27          2HG       ARG  27  15.008   0.100  -6.624
  478   1HD   ARG  27          1HD       ARG  27  13.535  -1.932  -5.281
  479   2HD   ARG  27          2HD       ARG  27  12.762  -0.381  -4.961
  480    HE   ARG  27           HE       ARG  27  13.173  -0.308  -7.627
  481   1HH1  ARG  27          1HH1      ARG  27  11.703  -2.673  -5.520
  482   2HH1  ARG  27          2HH1      ARG  27  10.606  -3.251  -6.729
  483   1HH2  ARG  27          1HH2      ARG  27  11.732  -1.069  -9.218
  484   2HH2  ARG  27          2HH2      ARG  27  10.622  -2.341  -8.829
  485    H    HIS  28           H        HIS  28  16.807   1.923  -4.982
  486    HA   HIS  28           HA       HIS  28  18.938   1.777  -6.960
  487   1HB   HIS  28          1HB       HIS  28  16.637   3.507  -6.481
  488   2HB   HIS  28          2HB       HIS  28  18.093   4.416  -6.866
  489    HD1  HIS  28           HD1      HIS  28  19.246   2.281  -8.928
  490    HD2  HIS  28           HD2      HIS  28  15.398   3.847  -8.890
  491    HE1  HIS  28           HE1      HIS  28  18.356   2.036 -11.282
  492    H    LYS  29           H        LYS  29  18.176   4.355  -4.633
  493    HA   LYS  29           HA       LYS  29  20.936   5.042  -4.348
  494   1HB   LYS  29          1HB       LYS  29  18.350   6.087  -3.429
  495   2HB   LYS  29          2HB       LYS  29  19.664   6.328  -2.288
  496   1HG   LYS  29          1HG       LYS  29  20.129   8.164  -3.451
  497   2HG   LYS  29          2HG       LYS  29  20.793   7.079  -4.674
  498   1HD   LYS  29          1HD       LYS  29  19.315   8.458  -5.857
  499   2HD   LYS  29          2HD       LYS  29  18.412   6.964  -5.603
  500   1HE   LYS  29          1HE       LYS  29  16.865   8.599  -5.051
  501   2HE   LYS  29          2HE       LYS  29  17.521   8.137  -3.481
  502   1HZ   LYS  29          1HZ       LYS  29  18.539  10.443  -5.041
  503   2HZ   LYS  29          2HZ       LYS  29  17.315  10.582  -3.883
  504   3HZ   LYS  29          3HZ       LYS  29  18.859  10.066  -3.424
  505    H    GLY  30           H        GLY  30  22.336   4.637  -2.691
  506   1HA   GLY  30          1HA       GLY  30  22.393   4.018  -0.224
  507   2HA   GLY  30          2HA       GLY  30  21.431   2.634  -0.720
  508   1HN   NH2  31          1HN       NH2  31  22.791   2.098  -3.146
  509   2HN   NH2  31          2HN       NH2  31  24.357   1.482  -2.750
  Start of MODEL    4
    1   1H    ACE   0          1H        ACE   0 -22.360   5.856  -1.849
    2   2H    ACE   0          2H        ACE   0 -23.203   6.234  -3.352
    3   3H    ACE   0          3H        ACE   0 -21.714   7.084  -2.938
    4    H    GLU   1           H        GLU   1 -19.996   6.403  -4.040
    5    HA   GLU   1           HA       GLU   1 -19.974   4.099  -5.652
    6   1HB   GLU   1          1HB       GLU   1 -17.474   4.571  -5.784
    7   2HB   GLU   1          2HB       GLU   1 -18.550   5.859  -6.308
    8   1HG   GLU   1          1HG       GLU   1 -17.584   7.247  -4.892
    9   2HG   GLU   1          2HG       GLU   1 -18.072   6.222  -3.544
   10    H    VAL   2           H        VAL   2 -20.225   2.153  -4.711
   11    HA   VAL   2           HA       VAL   2 -18.758   1.490  -2.287
   12    HB   VAL   2           HB       VAL   2 -20.612  -0.292  -3.865
   13   1HG1  VAL   2          1HG1      VAL   2 -19.664  -0.395  -1.003
   14   2HG1  VAL   2          2HG1      VAL   2 -20.827  -1.497  -1.742
   15   3HG1  VAL   2          3HG1      VAL   2 -19.157  -1.467  -2.308
   16   1HG2  VAL   2          1HG2      VAL   2 -21.169   1.922  -1.986
   17   2HG2  VAL   2          2HG2      VAL   2 -22.142   1.284  -3.311
   18   3HG2  VAL   2          3HG2      VAL   2 -22.101   0.441  -1.763
   19    H    ALA   3           H        ALA   3 -19.078   0.221  -5.600
   20    HA   ALA   3           HA       ALA   3 -17.177  -1.804  -5.424
   21   1HB   ALA   3          1HB       ALA   3 -18.778  -1.505  -7.291
   22   2HB   ALA   3          2HB       ALA   3 -17.799  -0.157  -7.871
   23   3HB   ALA   3          3HB       ALA   3 -17.123  -1.785  -7.831
   24    H    GLN   4           H        GLN   4 -16.782   1.636  -6.024
   25    HA   GLN   4           HA       GLN   4 -14.152   1.661  -6.941
   26   1HB   GLN   4          1HB       GLN   4 -15.768   3.649  -5.364
   27   2HB   GLN   4          2HB       GLN   4 -14.102   3.980  -5.817
   28   1HG   GLN   4          1HG       GLN   4 -15.152   3.204  -8.195
   29   2HG   GLN   4          2HG       GLN   4 -16.538   3.989  -7.440
   30   1HE2  GLN   4          2HE2      GLN   4 -13.714   4.441  -9.180
   31   2HE2  GLN   4          1HE2      GLN   4 -13.581   6.157  -9.022
   32    H    LEU   5           H        LEU   5 -15.423   1.238  -3.720
   33    HA   LEU   5           HA       LEU   5 -12.785   1.486  -2.511
   34   1HB   LEU   5          1HB       LEU   5 -15.414   0.759  -1.219
   35   2HB   LEU   5          2HB       LEU   5 -13.928   1.188  -0.391
   36    HG   LEU   5           HG       LEU   5 -15.243   3.134  -2.257
   37   1HD1  LEU   5          1HD1      LEU   5 -16.037   2.434   0.542
   38   2HD1  LEU   5          2HD1      LEU   5 -16.232   4.077  -0.069
   39   3HD1  LEU   5          3HD1      LEU   5 -17.054   2.737  -0.866
   40   1HD2  LEU   5          1HD2      LEU   5 -12.865   3.232  -1.029
   41   2HD2  LEU   5          2HD2      LEU   5 -13.841   4.664  -1.357
   42   3HD2  LEU   5          3HD2      LEU   5 -13.876   3.920   0.241
   43    H    GLU   6           H        GLU   6 -15.220  -0.974  -3.188
   44    HA   GLU   6           HA       GLU   6 -14.044  -3.114  -1.825
   45   1HB   GLU   6          1HB       GLU   6 -15.767  -3.060  -4.304
   46   2HB   GLU   6          2HB       GLU   6 -15.305  -4.543  -3.479
   47   1HG   GLU   6          1HG       GLU   6 -16.374  -2.753  -1.552
   48   2HG   GLU   6          2HG       GLU   6 -17.474  -2.810  -2.929
   49    H    LYS   7           H        LYS   7 -13.308  -1.664  -4.910
   50    HA   LYS   7           HA       LYS   7 -11.493  -3.823  -5.633
   51   1HB   LYS   7          1HB       LYS   7 -11.824  -1.243  -7.143
   52   2HB   LYS   7          2HB       LYS   7 -11.311  -2.809  -7.753
   53   1HG   LYS   7          1HG       LYS   7 -13.925  -3.081  -6.661
   54   2HG   LYS   7          2HG       LYS   7 -13.904  -1.685  -7.740
   55   1HD   LYS   7          1HD       LYS   7 -12.716  -4.317  -8.562
   56   2HD   LYS   7          2HD       LYS   7 -14.441  -3.989  -8.745
   57   1HE   LYS   7          1HE       LYS   7 -13.639  -1.821  -9.927
   58   2HE   LYS   7          2HE       LYS   7 -12.109  -2.682 -10.091
   59   1HZ   LYS   7          1HZ       LYS   7 -14.743  -3.632 -11.083
   60   2HZ   LYS   7          2HZ       LYS   7 -13.504  -2.985 -12.036
   61   3HZ   LYS   7          3HZ       LYS   7 -13.277  -4.461 -11.239
   62    H    GLU   8           H        GLU   8 -11.417  -0.617  -4.292
   63    HA   GLU   8           HA       GLU   8  -8.758   0.063  -4.814
   64   1HB   GLU   8          1HB       GLU   8 -10.659   1.468  -3.792
   65   2HB   GLU   8          2HB       GLU   8 -10.131   0.805  -2.252
   66   1HG   GLU   8          1HG       GLU   8  -7.971   1.785  -2.492
   67   2HG   GLU   8          2HG       GLU   8  -8.316   2.266  -4.152
   68    H    VAL   9           H        VAL   9 -10.124  -2.203  -2.577
   69    HA   VAL   9           HA       VAL   9  -7.847  -2.359  -0.845
   70    HB   VAL   9           HB       VAL   9 -10.151  -4.277  -1.241
   71   1HG1  VAL   9          1HG1      VAL   9  -7.673  -4.665   0.123
   72   2HG1  VAL   9          2HG1      VAL   9  -8.973  -4.581   1.311
   73   3HG1  VAL   9          3HG1      VAL   9  -9.051  -5.757  -0.001
   74   1HG2  VAL   9          1HG2      VAL   9  -9.604  -2.207   0.882
   75   2HG2  VAL   9          2HG2      VAL   9 -10.840  -2.119  -0.372
   76   3HG2  VAL   9          3HG2      VAL   9 -10.951  -3.345   0.891
   77    H    ALA  10           H        ALA  10  -9.195  -4.685  -3.203
   78    HA   ALA  10           HA       ALA  10  -7.073  -6.466  -3.227
   79   1HB   ALA  10          1HB       ALA  10  -9.265  -5.797  -5.094
   80   2HB   ALA  10          2HB       ALA  10  -7.904  -6.697  -5.764
   81   3HB   ALA  10          3HB       ALA  10  -8.803  -7.348  -4.393
   82    H    GLN  11           H        GLN  11  -7.321  -3.314  -4.632
   83    HA   GLN  11           HA       GLN  11  -5.206  -3.587  -6.523
   84   1HB   GLN  11          1HB       GLN  11  -6.952  -1.865  -6.733
   85   2HB   GLN  11          2HB       GLN  11  -6.373  -1.099  -5.261
   86   1HG   GLN  11          1HG       GLN  11  -4.798   0.012  -6.357
   87   2HG   GLN  11          2HG       GLN  11  -4.241  -1.446  -7.177
   88   1HE2  GLN  11          2HE2      GLN  11  -5.287  -2.067  -9.134
   89   2HE2  GLN  11          1HE2      GLN  11  -6.071  -0.884 -10.120
   90    H    LEU  12           H        LEU  12  -5.428  -2.324  -3.213
   91    HA   LEU  12           HA       LEU  12  -2.586  -1.743  -3.160
   92   1HB   LEU  12          1HB       LEU  12  -4.556  -1.612  -0.881
   93   2HB   LEU  12          2HB       LEU  12  -2.967  -0.876  -0.949
   94    HG   LEU  12           HG       LEU  12  -5.185  -0.102  -2.832
   95   1HD1  LEU  12          1HD1      LEU  12  -4.458   1.111  -0.171
   96   2HD1  LEU  12          2HD1      LEU  12  -5.520   1.857  -1.365
   97   3HD1  LEU  12          3HD1      LEU  12  -5.983   0.337  -0.600
   98   1HD2  LEU  12          1HD2      LEU  12  -2.520   1.069  -2.084
   99   2HD2  LEU  12          2HD2      LEU  12  -3.090   0.569  -3.676
  100   3HD2  LEU  12          3HD2      LEU  12  -3.771   2.001  -2.905
  101    H    GLU  13           H        GLU  13  -4.833  -3.990  -1.576
  102    HA   GLU  13           HA       GLU  13  -3.116  -5.274   0.146
  103   1HB   GLU  13          1HB       GLU  13  -5.623  -5.965  -1.221
  104   2HB   GLU  13          2HB       GLU  13  -4.658  -7.355  -0.740
  105   1HG   GLU  13          1HG       GLU  13  -4.576  -6.416   1.562
  106   2HG   GLU  13          2HG       GLU  13  -5.700  -5.163   1.036
  107    H    ALA  14           H        ALA  14  -3.226  -5.471  -3.317
  108    HA   ALA  14           HA       ALA  14  -1.562  -7.845  -3.425
  109   1HB   ALA  14          1HB       ALA  14  -3.355  -7.413  -5.095
  110   2HB   ALA  14          2HB       ALA  14  -2.410  -6.048  -5.692
  111   3HB   ALA  14          3HB       ALA  14  -1.766  -7.687  -5.809
  112    H    GLU  15           H        GLU  15  -1.242  -4.367  -3.825
  113    HA   GLU  15           HA       GLU  15   1.531  -4.590  -4.658
  114   1HB   GLU  15          1HB       GLU  15  -0.245  -2.818  -5.412
  115   2HB   GLU  15          2HB       GLU  15   0.215  -2.001  -3.925
  116   1HG   GLU  15          1HG       GLU  15   1.752  -1.017  -5.213
  117   2HG   GLU  15          2HG       GLU  15   2.647  -2.520  -4.987
  118    H    ASN  16           H        ASN  16  -0.217  -3.021  -1.973
  119    HA   ASN  16           HA       ASN  16   1.896  -2.200  -0.435
  120   1HB   ASN  16          1HB       ASN  16  -0.415  -1.674   0.118
  121   2HB   ASN  16          2HB       ASN  16  -0.739  -3.362   0.497
  122   1HD2  ASN  16          2HD2      ASN  16  -1.441  -2.612   2.553
  123   2HD2  ASN  16          1HD2      ASN  16  -0.292  -2.248   3.791
  124    H    TYR  17           H        TYR  17   0.412  -5.423  -0.482
  125    HA   TYR  17           HA       TYR  17   2.010  -6.516   1.580
  126   1HB   TYR  17          1HB       TYR  17  -0.056  -7.599   0.981
  127   2HB   TYR  17          2HB       TYR  17   0.484  -7.823  -0.678
  128    HD1  TYR  17           HD1      TYR  17   2.430  -9.396  -1.105
  129    HD2  TYR  17           HD2      TYR  17   0.392  -9.219   2.626
  130    HE1  TYR  17           HE1      TYR  17   3.323 -11.610  -0.519
  131    HE2  TYR  17           HE2      TYR  17   1.282 -11.432   3.223
  132    HH   TYR  17           HH       TYR  17   2.302 -13.576   1.332
  133    H    GLN  18           H        GLN  18   2.391  -6.342  -1.920
  134    HA   GLN  18           HA       GLN  18   4.669  -8.039  -2.043
  135   1HB   GLN  18          1HB       GLN  18   3.056  -7.332  -3.936
  136   2HB   GLN  18          2HB       GLN  18   4.056  -5.890  -4.054
  137   1HG   GLN  18          1HG       GLN  18   5.816  -7.010  -4.940
  138   2HG   GLN  18          2HG       GLN  18   5.443  -8.502  -4.079
  139   1HE2  GLN  18          2HE2      GLN  18   6.045  -9.215  -6.361
  140   2HE2  GLN  18          1HE2      GLN  18   4.731  -9.411  -7.464
  141    H    LEU  19           H        LEU  19   4.210  -4.650  -1.392
  142    HA   LEU  19           HA       LEU  19   7.044  -4.069  -1.703
  143   1HB   LEU  19          1HB       LEU  19   4.701  -2.344  -0.927
  144   2HB   LEU  19          2HB       LEU  19   6.351  -1.760  -1.027
  145    HG   LEU  19           HG       LEU  19   4.684  -2.822  -3.308
  146   1HD1  LEU  19          1HD1      LEU  19   5.062  -0.204  -2.177
  147   2HD1  LEU  19          2HD1      LEU  19   5.647  -0.254  -3.838
  148   3HD1  LEU  19          3HD1      LEU  19   3.987  -0.722  -3.475
  149   1HD2  LEU  19          1HD2      LEU  19   7.570  -1.983  -3.173
  150   2HD2  LEU  19          2HD2      LEU  19   6.904  -3.514  -3.740
  151   3HD2  LEU  19          3HD2      LEU  19   6.656  -2.043  -4.679
  152    H    GLU  20           H        GLU  20   4.594  -4.062   0.875
  153    HA   GLU  20           HA       GLU  20   6.162  -3.226   2.989
  154   1HB   GLU  20          1HB       GLU  20   3.644  -3.788   2.906
  155   2HB   GLU  20          2HB       GLU  20   4.138  -5.427   3.311
  156   1HG   GLU  20          1HG       GLU  20   5.473  -4.058   5.200
  157   2HG   GLU  20          2HG       GLU  20   4.084  -2.995   4.969
  158    H    GLN  21           H        GLN  21   6.211  -6.256   1.311
  159    HA   GLN  21           HA       GLN  21   7.883  -7.488   3.369
  160   1HB   GLN  21          1HB       GLN  21   5.908  -8.601   1.990
  161   2HB   GLN  21          2HB       GLN  21   7.197  -8.891   0.831
  162   1HG   GLN  21          1HG       GLN  21   7.449  -9.681   3.712
  163   2HG   GLN  21          2HG       GLN  21   6.689 -10.727   2.513
  164   1HE2  GLN  21          2HE2      GLN  21   8.131 -10.720   0.384
  165   2HE2  GLN  21          1HE2      GLN  21   9.784 -11.136   0.673
  166    H    GLU  22           H        GLU  22   8.065  -6.053   0.213
  167    HA   GLU  22           HA       GLU  22  10.737  -7.090  -0.277
  168   1HB   GLU  22          1HB       GLU  22   8.889  -6.680  -2.048
  169   2HB   GLU  22          2HB       GLU  22   9.377  -4.994  -1.944
  170   1HG   GLU  22          1HG       GLU  22  11.422  -7.113  -2.426
  171   2HG   GLU  22          2HG       GLU  22  10.411  -6.537  -3.751
  172    H    VAL  23           H        VAL  23   9.248  -4.313   1.093
  173    HA   VAL  23           HA       VAL  23  11.606  -2.639   0.771
  174    HB   VAL  23           HB       VAL  23   9.106  -2.024   2.347
  175   1HG1  VAL  23          1HG1      VAL  23  11.562  -0.692   2.125
  176   2HG1  VAL  23          2HG1      VAL  23  10.424   0.224   1.137
  177   3HG1  VAL  23          3HG1      VAL  23  10.068  -0.083   2.837
  178   1HG2  VAL  23          1HG2      VAL  23   9.193  -2.476  -0.370
  179   2HG2  VAL  23          2HG2      VAL  23   7.978  -1.523   0.482
  180   3HG2  VAL  23          3HG2      VAL  23   9.371  -0.727  -0.248
  181    H    ALA  24           H        ALA  24  10.019  -4.594   3.189
  182    HA   ALA  24           HA       ALA  24  11.189  -3.629   5.517
  183   1HB   ALA  24          1HB       ALA  24   9.437  -5.571   5.023
  184   2HB   ALA  24          2HB       ALA  24  10.875  -6.564   5.260
  185   3HB   ALA  24          3HB       ALA  24  10.338  -5.474   6.537
  186    H    GLN  25           H        GLN  25  12.537  -5.575   2.965
  187    HA   GLN  25           HA       GLN  25  14.901  -6.262   4.504
  188   1HB   GLN  25          1HB       GLN  25  14.296  -6.739   1.580
  189   2HB   GLN  25          2HB       GLN  25  15.623  -7.445   2.493
  190   1HG   GLN  25          1HG       GLN  25  14.294  -8.961   3.524
  191   2HG   GLN  25          2HG       GLN  25  12.893  -7.894   3.533
  192   1HE2  GLN  25          2HE2      GLN  25  12.459  -7.280   0.994
  193   2HE2  GLN  25          1HE2      GLN  25  12.154  -8.690   0.042
  194    H    LEU  26           H        LEU  26  13.989  -4.135   1.832
  195    HA   LEU  26           HA       LEU  26  16.545  -3.237   1.138
  196   1HB   LEU  26          1HB       LEU  26  13.942  -1.713   1.031
  197   2HB   LEU  26          2HB       LEU  26  15.405  -1.300   0.161
  198    HG   LEU  26           HG       LEU  26  14.095  -3.960  -0.264
  199   1HD1  LEU  26          1HD1      LEU  26  12.667  -1.685  -0.622
  200   2HD1  LEU  26          2HD1      LEU  26  13.454  -1.843  -2.193
  201   3HD1  LEU  26          3HD1      LEU  26  12.456  -3.157  -1.570
  202   1HD2  LEU  26          1HD2      LEU  26  15.965  -2.193  -1.814
  203   2HD2  LEU  26          2HD2      LEU  26  16.236  -3.834  -1.227
  204   3HD2  LEU  26          3HD2      LEU  26  15.111  -3.545  -2.554
  205    H    GLU  27           H        GLU  27  14.143  -1.506   3.138
  206    HA   GLU  27           HA       GLU  27  16.274   0.131   4.256
  207   1HB   GLU  27          1HB       GLU  27  14.391   1.335   5.380
  208   2HB   GLU  27          2HB       GLU  27  14.296   1.326   3.624
  209   1HG   GLU  27          1HG       GLU  27  12.320   0.327   3.656
  210   2HG   GLU  27          2HG       GLU  27  12.898  -0.931   4.747
  211    H    HIS  28           H        HIS  28  16.942  -2.185   5.131
  212    HA   HIS  28           HA       HIS  28  15.629  -3.261   7.363
  213   1HB   HIS  28          1HB       HIS  28  17.430  -4.398   6.055
  214   2HB   HIS  28          2HB       HIS  28  18.602  -3.321   6.807
  215    HD1  HIS  28           HD1      HIS  28  16.269  -6.172   7.662
  216    HD2  HIS  28           HD2      HIS  28  19.394  -4.005   9.332
  217    HE1  HIS  28           HE1      HIS  28  16.928  -7.393   9.776
  218    H    GLU  29           H        GLU  29  18.355  -0.977   7.189
  219    HA   GLU  29           HA       GLU  29  18.454  -0.590  10.018
  220   1HB   GLU  29          1HB       GLU  29  20.298  -0.220   8.198
  221   2HB   GLU  29          2HB       GLU  29  19.580   1.379   8.061
  222   1HG   GLU  29          1HG       GLU  29  21.427   1.499   9.564
  223   2HG   GLU  29          2HG       GLU  29  19.941   1.694  10.491
  224    H    GLY  30           H        GLY  30  17.723   1.766   7.435
  225   1HA   GLY  30          1HA       GLY  30  15.279   2.659   8.046
  226   2HA   GLY  30          2HA       GLY  30  16.228   3.377   9.339
  227   1HN   NH2  31          1HN       NH2  31  17.956   4.827   8.740
  228   2HN   NH2  31          2HN       NH2  31  17.837   5.743   7.280
  229   1H    ACE   0          1H        ACE   0 -20.692  -2.539   6.290
  230   2H    ACE   0          2H        ACE   0 -19.297  -1.494   6.560
  231   3H    ACE   0          3H        ACE   0 -19.111  -3.247   6.621
  232    H    GLU   1           H        GLU   1 -20.867  -1.234   4.283
  233    HA   GLU   1           HA       GLU   1 -19.489  -2.595   2.116
  234   1HB   GLU   1          1HB       GLU   1 -21.789  -0.637   2.105
  235   2HB   GLU   1          2HB       GLU   1 -21.131  -1.408   0.668
  236   1HG   GLU   1          1HG       GLU   1 -22.218  -2.972   2.987
  237   2HG   GLU   1          2HG       GLU   1 -23.227  -2.421   1.652
  238    H    VAL   2           H        VAL   2 -20.426   0.807   2.585
  239    HA   VAL   2           HA       VAL   2 -18.131   1.667   1.032
  240    HB   VAL   2           HB       VAL   2 -20.179   3.417   2.380
  241   1HG1  VAL   2          1HG1      VAL   2 -18.072   4.470   1.584
  242   2HG1  VAL   2          2HG1      VAL   2 -18.466   3.926  -0.047
  243   3HG1  VAL   2          3HG1      VAL   2 -19.518   5.076   0.778
  244   1HG2  VAL   2          1HG2      VAL   2 -20.311   1.884  -0.180
  245   2HG2  VAL   2          2HG2      VAL   2 -21.557   2.138   1.041
  246   3HG2  VAL   2          3HG2      VAL   2 -21.116   3.448  -0.052
  247    H    GLN   3           H        GLN   3 -19.000   1.393   4.348
  248    HA   GLN   3           HA       GLN   3 -16.915   3.236   5.195
  249   1HB   GLN   3          1HB       GLN   3 -19.092   1.750   6.632
  250   2HB   GLN   3          2HB       GLN   3 -17.755   2.461   7.526
  251   1HG   GLN   3          1HG       GLN   3 -18.648   4.484   7.403
  252   2HG   GLN   3          2HG       GLN   3 -18.864   4.353   5.659
  253   1HE2  GLN   3          2HE2      GLN   3 -20.878   4.796   5.149
  254   2HE2  GLN   3          1HE2      GLN   3 -22.287   4.260   5.992
  255    H    ALA   4           H        ALA   4 -17.785  -0.095   6.132
  256    HA   ALA   4           HA       ALA   4 -15.421  -0.733   7.410
  257   1HB   ALA   4          1HB       ALA   4 -17.559  -2.035   7.437
  258   2HB   ALA   4          2HB       ALA   4 -17.078  -2.719   5.885
  259   3HB   ALA   4          3HB       ALA   4 -16.089  -3.001   7.316
  260    H    LEU   5           H        LEU   5 -15.794  -0.202   4.077
  261    HA   LEU   5           HA       LEU   5 -13.356  -1.751   3.500
  262   1HB   LEU   5          1HB       LEU   5 -15.739  -1.023   1.901
  263   2HB   LEU   5          2HB       LEU   5 -14.207  -1.074   1.061
  264    HG   LEU   5           HG       LEU   5 -14.986  -3.419   2.733
  265   1HD1  LEU   5          1HD1      LEU   5 -16.473  -2.445   0.407
  266   2HD1  LEU   5          2HD1      LEU   5 -15.932  -4.118   0.276
  267   3HD1  LEU   5          3HD1      LEU   5 -16.930  -3.619   1.640
  268   1HD2  LEU   5          1HD2      LEU   5 -12.785  -3.316   1.667
  269   2HD2  LEU   5          2HD2      LEU   5 -13.764  -4.624   1.006
  270   3HD2  LEU   5          3HD2      LEU   5 -13.556  -3.130   0.093
  271    H    LYS   6           H        LYS   6 -15.010   1.280   3.096
  272    HA   LYS   6           HA       LYS   6 -13.145   2.750   1.686
  273   1HB   LYS   6          1HB       LYS   6 -15.371   3.533   2.069
  274   2HB   LYS   6          2HB       LYS   6 -15.124   3.498   3.806
  275   1HG   LYS   6          1HG       LYS   6 -14.177   5.527   3.828
  276   2HG   LYS   6          2HG       LYS   6 -13.246   5.214   2.361
  277   1HD   LYS   6          1HD       LYS   6 -14.735   6.950   1.798
  278   2HD   LYS   6          2HD       LYS   6 -15.434   5.488   1.098
  279   1HE   LYS   6          1HE       LYS   6 -17.285   6.414   2.090
  280   2HE   LYS   6          2HE       LYS   6 -16.704   5.372   3.387
  281   1HZ   LYS   6          1HZ       LYS   6 -15.913   8.216   3.193
  282   2HZ   LYS   6          2HZ       LYS   6 -17.318   7.731   4.001
  283   3HZ   LYS   6          3HZ       LYS   6 -15.807   7.187   4.531
  284    H    LYS   7           H        LYS   7 -13.493   2.303   5.168
  285    HA   LYS   7           HA       LYS   7 -11.178   3.896   5.772
  286   1HB   LYS   7          1HB       LYS   7 -12.726   2.027   7.562
  287   2HB   LYS   7          2HB       LYS   7 -11.616   3.291   8.074
  288   1HG   LYS   7          1HG       LYS   7 -13.181   4.871   7.931
  289   2HG   LYS   7          2HG       LYS   7 -13.752   4.285   6.367
  290   1HD   LYS   7          1HD       LYS   7 -15.597   3.922   7.710
  291   2HD   LYS   7          2HD       LYS   7 -14.788   2.354   7.778
  292   1HE   LYS   7          1HE       LYS   7 -15.226   2.724  10.003
  293   2HE   LYS   7          2HE       LYS   7 -13.598   3.384   9.860
  294   1HZ   LYS   7          1HZ       LYS   7 -14.601   5.596   9.589
  295   2HZ   LYS   7          2HZ       LYS   7 -16.134   4.929   9.844
  296   3HZ   LYS   7          3HZ       LYS   7 -14.983   4.898  11.082
  297    H    ARG   8           H        ARG   8 -11.884   0.477   5.381
  298    HA   ARG   8           HA       ARG   8  -9.490  -0.465   6.578
  299   1HB   ARG   8          1HB       ARG   8 -10.186  -2.577   6.021
  300   2HB   ARG   8          2HB       ARG   8 -11.717  -1.719   5.985
  301   1HG   ARG   8          1HG       ARG   8 -11.613  -1.579   3.565
  302   2HG   ARG   8          2HG       ARG   8 -10.032  -2.363   3.572
  303   1HD   ARG   8          1HD       ARG   8 -11.751  -4.021   5.058
  304   2HD   ARG   8          2HD       ARG   8 -12.645  -3.545   3.618
  305    HE   ARG   8           HE       ARG   8 -11.188  -4.770   2.329
  306   1HH1  ARG   8          1HH1      ARG   8  -9.922  -4.497   5.572
  307   2HH1  ARG   8          2HH1      ARG   8  -8.693  -5.690   5.326
  308   1HH2  ARG   8          1HH2      ARG   8  -9.573  -6.345   2.009
  309   2HH2  ARG   8          2HH2      ARG   8  -8.494  -6.739   3.306
  310    H    VAL   9           H        VAL   9 -10.269   0.675   3.372
  311    HA   VAL   9           HA       VAL   9  -8.018  -0.418   2.038
  312    HB   VAL   9           HB       VAL   9  -9.614   2.063   1.360
  313   1HG1  VAL   9          1HG1      VAL   9  -7.209   1.580   0.336
  314   2HG1  VAL   9          2HG1      VAL   9  -8.149   0.514  -0.705
  315   3HG1  VAL   9          3HG1      VAL   9  -8.526   2.234  -0.634
  316   1HG2  VAL   9          1HG2      VAL   9 -10.489  -0.530   1.408
  317   2HG2  VAL   9          2HG2      VAL   9 -11.167   0.757   0.411
  318   3HG2  VAL   9          3HG2      VAL   9  -9.966  -0.341  -0.266
  319    H    GLN  10           H        GLN  10  -8.565   2.528   3.868
  320    HA   GLN  10           HA       GLN  10  -6.254   3.933   3.167
  321   1HB   GLN  10          1HB       GLN  10  -7.559   3.964   5.888
  322   2HB   GLN  10          2HB       GLN  10  -6.616   5.246   5.142
  323   1HG   GLN  10          1HG       GLN  10  -8.431   5.261   3.333
  324   2HG   GLN  10          2HG       GLN  10  -9.389   4.331   4.485
  325   1HE2  GLN  10          2HE2      GLN  10 -10.734   6.333   4.128
  326   2HE2  GLN  10          1HE2      GLN  10 -10.471   7.650   5.215
  327    H    ALA  11           H        ALA  11  -6.621   1.085   5.047
  328    HA   ALA  11           HA       ALA  11  -4.124   1.431   6.479
  329   1HB   ALA  11          1HB       ALA  11  -6.357  -0.504   6.539
  330   2HB   ALA  11          2HB       ALA  11  -4.769  -1.103   7.017
  331   3HB   ALA  11          3HB       ALA  11  -5.485   0.270   7.863
  332    H    LEU  12           H        LEU  12  -4.571   0.915   3.369
  333    HA   LEU  12           HA       LEU  12  -2.455  -1.127   3.189
  334   1HB   LEU  12          1HB       LEU  12  -4.193  -0.590   0.841
  335   2HB   LEU  12          2HB       LEU  12  -3.403  -2.073   1.325
  336    HG   LEU  12           HG       LEU  12  -5.707  -1.032   2.932
  337   1HD1  LEU  12          1HD1      LEU  12  -5.854  -2.532   0.328
  338   2HD1  LEU  12          2HD1      LEU  12  -7.168  -2.487   1.503
  339   3HD1  LEU  12          3HD1      LEU  12  -6.617  -0.996   0.740
  340   1HD2  LEU  12          1HD2      LEU  12  -4.393  -2.891   3.813
  341   2HD2  LEU  12          2HD2      LEU  12  -6.023  -3.411   3.388
  342   3HD2  LEU  12          3HD2      LEU  12  -4.668  -3.799   2.328
  343    H    LYS  13           H        LYS  13  -3.834   1.743   1.629
  344    HA   LYS  13           HA       LYS  13  -1.444   2.188   0.071
  345   1HB   LYS  13          1HB       LYS  13  -2.643   4.201  -0.734
  346   2HB   LYS  13          2HB       LYS  13  -3.560   2.718  -0.946
  347   1HG   LYS  13          1HG       LYS  13  -5.252   3.815  -0.007
  348   2HG   LYS  13          2HG       LYS  13  -4.393   3.594   1.518
  349   1HD   LYS  13          1HD       LYS  13  -4.262   5.804   1.703
  350   2HD   LYS  13          2HD       LYS  13  -3.207   5.809   0.289
  351   1HE   LYS  13          1HE       LYS  13  -6.007   5.585  -0.436
  352   2HE   LYS  13          2HE       LYS  13  -5.683   7.036   0.509
  353   1HZ   LYS  13          1HZ       LYS  13  -3.683   7.200  -1.170
  354   2HZ   LYS  13          2HZ       LYS  13  -4.722   6.296  -2.151
  355   3HZ   LYS  13          3HZ       LYS  13  -5.214   7.804  -1.560
  356    H    ALA  14           H        ALA  14  -2.816   3.360   3.054
  357    HA   ALA  14           HA       ALA  14  -1.549   5.787   3.381
  358   1HB   ALA  14          1HB       ALA  14  -2.259   3.660   5.378
  359   2HB   ALA  14          2HB       ALA  14  -1.559   5.206   5.858
  360   3HB   ALA  14          3HB       ALA  14  -3.110   5.162   5.019
  361    H    ARG  15           H        ARG  15  -0.276   2.573   4.222
  362    HA   ARG  15           HA       ARG  15   2.326   3.713   4.833
  363   1HB   ARG  15          1HB       ARG  15   1.450   1.930   6.262
  364   2HB   ARG  15          2HB       ARG  15   1.357   0.848   4.879
  365   1HG   ARG  15          1HG       ARG  15   3.299   0.275   6.121
  366   2HG   ARG  15          2HG       ARG  15   3.830   1.067   4.636
  367   1HD   ARG  15          1HD       ARG  15   5.157   2.043   6.283
  368   2HD   ARG  15          2HD       ARG  15   3.866   3.218   6.037
  369    HE   ARG  15           HE       ARG  15   3.216   1.399   8.119
  370   1HH1  ARG  15          1HH1      ARG  15   5.169   4.201   7.405
  371   2HH1  ARG  15          2HH1      ARG  15   5.195   4.755   9.044
  372   1HH2  ARG  15          1HH2      ARG  15   3.249   2.128  10.276
  373   2HH2  ARG  15          2HH2      ARG  15   4.106   3.579  10.675
  374    H    ASN  16           H        ASN  16   0.899   1.473   2.479
  375    HA   ASN  16           HA       ASN  16   3.201   0.806   1.075
  376   1HB   ASN  16          1HB       ASN  16   1.127  -0.368   0.693
  377   2HB   ASN  16          2HB       ASN  16   0.354   1.094   0.098
  378   1HD2  ASN  16          2HD2      ASN  16  -0.046   0.751  -1.971
  379   2HD2  ASN  16          1HD2      ASN  16   1.096   0.188  -3.141
  380    H    TYR  17           H        TYR  17   1.111   3.633   0.769
  381    HA   TYR  17           HA       TYR  17   2.050   4.683  -1.616
  382   1HB   TYR  17          1HB       TYR  17   0.142   5.635  -0.428
  383   2HB   TYR  17          2HB       TYR  17   1.195   6.172   0.875
  384    HD1  TYR  17           HD1      TYR  17   1.212   6.457  -2.859
  385    HD2  TYR  17           HD2      TYR  17   1.531   8.446   0.888
  386    HE1  TYR  17           HE1      TYR  17   1.559   8.591  -4.029
  387    HE2  TYR  17           HE2      TYR  17   1.878  10.587  -0.271
  388    HH   TYR  17           HH       TYR  17   2.792  11.274  -2.634
  389    H    ALA  18           H        ALA  18   3.401   5.010   1.640
  390    HA   ALA  18           HA       ALA  18   5.474   6.803   0.896
  391   1HB   ALA  18          1HB       ALA  18   4.877   5.134   3.290
  392   2HB   ALA  18          2HB       ALA  18   6.496   5.807   3.107
  393   3HB   ALA  18          3HB       ALA  18   5.096   6.879   3.156
  394    H    LEU  19           H        LEU  19   5.405   3.280   1.410
  395    HA   LEU  19           HA       LEU  19   8.126   2.846   0.826
  396   1HB   LEU  19          1HB       LEU  19   6.155   0.752   0.076
  397   2HB   LEU  19          2HB       LEU  19   7.685   0.599   0.911
  398    HG   LEU  19           HG       LEU  19   5.064   1.503   2.091
  399   1HD1  LEU  19          1HD1      LEU  19   6.667  -0.988   2.146
  400   2HD1  LEU  19          2HD1      LEU  19   5.839  -0.508   3.628
  401   3HD1  LEU  19          3HD1      LEU  19   4.918  -0.763   2.146
  402   1HD2  LEU  19          1HD2      LEU  19   7.331   2.626   2.860
  403   2HD2  LEU  19          2HD2      LEU  19   6.094   2.150   4.022
  404   3HD2  LEU  19          3HD2      LEU  19   7.496   1.114   3.752
  405    H    LYS  20           H        LYS  20   5.263   2.295  -1.221
  406    HA   LYS  20           HA       LYS  20   6.339   1.593  -3.593
  407   1HB   LYS  20          1HB       LYS  20   3.879   2.310  -2.837
  408   2HB   LYS  20          2HB       LYS  20   4.306   3.754  -3.744
  409   1HG   LYS  20          1HG       LYS  20   4.679   2.474  -5.733
  410   2HG   LYS  20          2HG       LYS  20   4.470   0.961  -4.850
  411   1HD   LYS  20          1HD       LYS  20   2.138   1.653  -4.330
  412   2HD   LYS  20          2HD       LYS  20   2.372   3.066  -5.363
  413   1HE   LYS  20          1HE       LYS  20   3.082   0.497  -6.598
  414   2HE   LYS  20          2HE       LYS  20   1.375   0.678  -6.200
  415   1HZ   LYS  20          1HZ       LYS  20   1.864   3.028  -7.343
  416   2HZ   LYS  20          2HZ       LYS  20   2.970   2.067  -8.188
  417   3HZ   LYS  20          3HZ       LYS  20   1.326   1.672  -8.201
  418    H    GLN  21           H        GLN  21   6.477   4.770  -2.153
  419    HA   GLN  21           HA       GLN  21   7.528   6.014  -4.533
  420   1HB   GLN  21          1HB       GLN  21   6.086   7.275  -3.011
  421   2HB   GLN  21          2HB       GLN  21   7.262   7.075  -1.720
  422   1HG   GLN  21          1HG       GLN  21   8.387   8.250  -4.137
  423   2HG   GLN  21          2HG       GLN  21   7.092   9.210  -3.421
  424   1HE2  GLN  21          2HE2      GLN  21   7.301   9.339  -0.938
  425   2HE2  GLN  21          1HE2      GLN  21   8.876   9.737  -0.350
  426    H    LYS  22           H        LYS  22   8.801   5.043  -1.363
  427    HA   LYS  22           HA       LYS  22  11.471   5.890  -2.126
  428   1HB   LYS  22          1HB       LYS  22  12.085   5.210   0.178
  429   2HB   LYS  22          2HB       LYS  22  10.790   6.397   0.116
  430   1HG   LYS  22          1HG       LYS  22   9.598   5.073   1.427
  431   2HG   LYS  22          2HG       LYS  22   9.518   3.914   0.099
  432   1HD   LYS  22          1HD       LYS  22  10.472   2.550   1.636
  433   2HD   LYS  22          2HD       LYS  22  11.949   3.317   1.050
  434   1HE   LYS  22          1HE       LYS  22  10.400   3.892   3.557
  435   2HE   LYS  22          2HE       LYS  22  12.092   3.424   3.391
  436   1HZ   LYS  22          1HZ       LYS  22  12.291   5.640   2.123
  437   2HZ   LYS  22          2HZ       LYS  22  10.841   6.045   2.897
  438   3HZ   LYS  22          3HZ       LYS  22  12.213   5.674   3.812
  439    H    VAL  23           H        VAL  23   9.730   3.088  -2.666
  440    HA   VAL  23           HA       VAL  23  11.300   0.968  -1.956
  441    HB   VAL  23           HB       VAL  23  10.138   1.210  -4.731
  442   1HG1  VAL  23          1HG1      VAL  23  11.030  -1.048  -2.987
  443   2HG1  VAL  23          2HG1      VAL  23   9.764  -1.309  -4.187
  444   3HG1  VAL  23          3HG1      VAL  23  11.359  -0.752  -4.694
  445   1HG2  VAL  23          1HG2      VAL  23   8.820   0.808  -2.090
  446   2HG2  VAL  23          2HG2      VAL  23   8.270   1.706  -3.503
  447   3HG2  VAL  23          3HG2      VAL  23   8.196  -0.055  -3.497
  448    H    GLN  24           H        GLN  24  11.632   2.590  -5.121
  449    HA   GLN  24           HA       GLN  24  14.065   1.371  -5.791
  450   1HB   GLN  24          1HB       GLN  24  13.273   4.111  -6.747
  451   2HB   GLN  24          2HB       GLN  24  14.183   2.874  -7.604
  452   1HG   GLN  24          1HG       GLN  24  11.774   1.645  -7.082
  453   2HG   GLN  24          2HG       GLN  24  11.319   3.308  -7.445
  454   1HE2  GLN  24          2HE2      GLN  24  10.785   0.935  -8.989
  455   2HE2  GLN  24          1HE2      GLN  24  11.524   1.168 -10.533
  456    H    ALA  25           H        ALA  25  13.337   4.284  -3.983
  457    HA   ALA  25           HA       ALA  25  15.888   5.439  -3.954
  458   1HB   ALA  25          1HB       ALA  25  13.515   5.612  -2.146
  459   2HB   ALA  25          2HB       ALA  25  15.032   6.386  -1.690
  460   3HB   ALA  25          3HB       ALA  25  14.222   6.846  -3.188
  461    H    LEU  26           H        LEU  26  14.528   2.789  -2.136
  462    HA   LEU  26           HA       LEU  26  16.650   2.722  -0.191
  463   1HB   LEU  26          1HB       LEU  26  14.524   0.683  -0.860
  464   2HB   LEU  26          2HB       LEU  26  15.617   0.588   0.508
  465    HG   LEU  26           HG       LEU  26  13.503   2.692   0.070
  466   1HD1  LEU  26          1HD1      LEU  26  13.703   0.313   1.890
  467   2HD1  LEU  26          2HD1      LEU  26  12.606   1.659   2.199
  468   3HD1  LEU  26          3HD1      LEU  26  12.434   0.702   0.728
  469   1HD2  LEU  26          1HD2      LEU  26  15.728   2.440   2.034
  470   2HD2  LEU  26          2HD2      LEU  26  15.088   3.875   1.232
  471   3HD2  LEU  26          3HD2      LEU  26  14.193   3.131   2.558
  472    H    ARG  27           H        ARG  27  15.616   0.402  -2.703
  473    HA   ARG  27           HA       ARG  27  17.849  -1.240  -2.605
  474   1HB   ARG  27          1HB       ARG  27  17.238  -1.811  -5.007
  475   2HB   ARG  27          2HB       ARG  27  15.980  -2.037  -3.802
  476   1HG   ARG  27          1HG       ARG  27  15.537   0.532  -4.638
  477   2HG   ARG  27          2HG       ARG  27  16.070  -0.269  -6.117
  478   1HD   ARG  27          1HD       ARG  27  14.324  -2.086  -4.988
  479   2HD   ARG  27          2HD       ARG  27  13.572  -0.529  -4.649
  480    HE   ARG  27           HE       ARG  27  14.257  -0.386  -7.283
  481   1HH1  ARG  27          1HH1      ARG  27  12.362  -2.599  -5.361
  482   2HH1  ARG  27          2HH1      ARG  27  11.309  -3.029  -6.667
  483   1HH2  ARG  27          1HH2      ARG  27  12.874  -0.950  -9.002
  484   2HH2  ARG  27          2HH2      ARG  27  11.600  -2.092  -8.736
  485    H    HIS  28           H        HIS  28  17.303   1.668  -4.554
  486    HA   HIS  28           HA       HIS  28  19.625   1.537  -6.106
  487   1HB   HIS  28          1HB       HIS  28  17.645   3.108  -6.392
  488   2HB   HIS  28          2HB       HIS  28  18.368   4.101  -5.131
  489    HD1  HIS  28           HD1      HIS  28  18.929   2.999  -8.692
  490    HD2  HIS  28           HD2      HIS  28  20.526   5.624  -5.897
  491    HE1  HIS  28           HE1      HIS  28  20.545   4.480  -9.953
  492    H    LYS  29           H        LYS  29  19.059   3.308  -3.064
  493    HA   LYS  29           HA       LYS  29  21.799   4.088  -2.817
  494   1HB   LYS  29          1HB       LYS  29  19.337   4.716  -1.540
  495   2HB   LYS  29          2HB       LYS  29  20.457   4.188  -0.293
  496   1HG   LYS  29          1HG       LYS  29  21.190   6.288  -0.292
  497   2HG   LYS  29          2HG       LYS  29  22.000   5.878  -1.805
  498   1HD   LYS  29          1HD       LYS  29  19.188   6.952  -1.646
  499   2HD   LYS  29          2HD       LYS  29  20.613   7.965  -1.883
  500   1HE   LYS  29          1HE       LYS  29  20.332   7.624  -4.068
  501   2HE   LYS  29          2HE       LYS  29  20.905   5.981  -3.782
  502   1HZ   LYS  29          1HZ       LYS  29  18.060   6.826  -3.676
  503   2HZ   LYS  29          2HZ       LYS  29  18.791   6.047  -4.988
  504   3HZ   LYS  29          3HZ       LYS  29  18.642   5.248  -3.506
  505    H    GLY  30           H        GLY  30  22.971   2.139  -2.943
  506   1HA   GLY  30          1HA       GLY  30  24.207   0.978  -1.033
  507   2HA   GLY  30          2HA       GLY  30  22.626   0.311  -0.654
  508   1HN   NH2  31          1HN       NH2  31  22.575  -1.746  -1.209
  509   2HN   NH2  31          2HN       NH2  31  23.193  -2.422  -2.674
  Start of MODEL    5
    1   1H    ACE   0          1H        ACE   0 -23.319   3.672  -5.240
    2   2H    ACE   0          2H        ACE   0 -23.574   4.263  -6.882
    3   3H    ACE   0          3H        ACE   0 -22.778   5.290  -5.689
    4    H    GLU   1           H        GLU   1 -20.617   4.918  -5.162
    5    HA   GLU   1           HA       GLU   1 -19.124   3.420  -7.162
    6   1HB   GLU   1          1HB       GLU   1 -18.540   5.615  -5.264
    7   2HB   GLU   1          2HB       GLU   1 -17.208   4.524  -5.626
    8   1HG   GLU   1          1HG       GLU   1 -16.989   5.274  -7.738
    9   2HG   GLU   1          2HG       GLU   1 -18.723   5.515  -7.949
   10    H    VAL   2           H        VAL   2 -20.629   2.115  -4.943
   11    HA   VAL   2           HA       VAL   2 -19.216   1.117  -2.866
   12    HB   VAL   2           HB       VAL   2 -20.984  -0.487  -4.714
   13   1HG1  VAL   2          1HG1      VAL   2 -19.649  -1.915  -3.234
   14   2HG1  VAL   2          2HG1      VAL   2 -20.230  -1.010  -1.838
   15   3HG1  VAL   2          3HG1      VAL   2 -21.359  -1.958  -2.805
   16   1HG2  VAL   2          1HG2      VAL   2 -21.514   1.504  -2.599
   17   2HG2  VAL   2          2HG2      VAL   2 -22.458   1.085  -4.028
   18   3HG2  VAL   2          3HG2      VAL   2 -22.530   0.063  -2.593
   19    H    ALA   3           H        ALA   3 -19.194  -0.326  -6.135
   20    HA   ALA   3           HA       ALA   3 -17.333  -2.330  -5.652
   21   1HB   ALA   3          1HB       ALA   3 -18.792  -1.604  -7.791
   22   2HB   ALA   3          2HB       ALA   3 -17.196  -1.058  -8.308
   23   3HB   ALA   3          3HB       ALA   3 -17.451  -2.747  -7.866
   24    H    GLN   4           H        GLN   4 -16.852   1.076  -6.294
   25    HA   GLN   4           HA       GLN   4 -14.051   0.889  -6.810
   26   1HB   GLN   4          1HB       GLN   4 -15.691   3.276  -5.944
   27   2HB   GLN   4          2HB       GLN   4 -14.059   3.332  -6.596
   28   1HG   GLN   4          1HG       GLN   4 -16.556   2.466  -8.030
   29   2HG   GLN   4          2HG       GLN   4 -15.613   3.927  -8.314
   30   1HE2  GLN   4          2HE2      GLN   4 -16.347   1.311  -9.824
   31   2HE2  GLN   4          1HE2      GLN   4 -14.850   0.869 -10.564
   32    H    LEU   5           H        LEU   5 -15.817   0.500  -3.988
   33    HA   LEU   5           HA       LEU   5 -13.675   1.529  -2.274
   34   1HB   LEU   5          1HB       LEU   5 -16.226   0.323  -1.266
   35   2HB   LEU   5          2HB       LEU   5 -15.185   1.501  -0.492
   36    HG   LEU   5           HG       LEU   5 -16.858   2.097  -2.929
   37   1HD1  LEU   5          1HD1      LEU   5 -17.962   1.505  -0.584
   38   2HD1  LEU   5          2HD1      LEU   5 -17.557   3.193  -0.272
   39   3HD1  LEU   5          3HD1      LEU   5 -18.591   2.771  -1.637
   40   1HD2  LEU   5          1HD2      LEU   5 -15.008   3.654  -1.201
   41   2HD2  LEU   5          2HD2      LEU   5 -15.268   3.734  -2.943
   42   3HD2  LEU   5          3HD2      LEU   5 -16.437   4.463  -1.843
   43    H    GLU   6           H        GLU   6 -15.152  -1.423  -3.373
   44    HA   GLU   6           HA       GLU   6 -13.802  -3.048  -1.387
   45   1HB   GLU   6          1HB       GLU   6 -15.278  -4.041  -3.819
   46   2HB   GLU   6          2HB       GLU   6 -14.958  -4.902  -2.319
   47   1HG   GLU   6          1HG       GLU   6 -16.375  -2.905  -1.309
   48   2HG   GLU   6          2HG       GLU   6 -17.028  -2.879  -2.947
   49    H    LYS   7           H        LYS   7 -13.788  -2.893  -4.954
   50    HA   LYS   7           HA       LYS   7 -11.610  -4.574  -5.366
   51   1HB   LYS   7          1HB       LYS   7 -12.265  -2.193  -7.097
   52   2HB   LYS   7          2HB       LYS   7 -11.504  -3.701  -7.585
   53   1HG   LYS   7          1HG       LYS   7 -13.916  -4.514  -6.520
   54   2HG   LYS   7          2HG       LYS   7 -14.314  -3.018  -7.366
   55   1HD   LYS   7          1HD       LYS   7 -12.874  -5.394  -8.543
   56   2HD   LYS   7          2HD       LYS   7 -14.557  -4.949  -8.837
   57   1HE   LYS   7          1HE       LYS   7 -13.314  -2.636  -9.472
   58   2HE   LYS   7          2HE       LYS   7 -12.071  -3.802  -9.925
   59   1HZ   LYS   7          1HZ       LYS   7 -13.739  -4.952 -11.282
   60   2HZ   LYS   7          2HZ       LYS   7 -14.878  -3.761 -10.894
   61   3HZ   LYS   7          3HZ       LYS   7 -13.502  -3.356 -11.790
   62    H    GLU   8           H        GLU   8 -11.712  -1.227  -4.409
   63    HA   GLU   8           HA       GLU   8  -9.085  -0.496  -5.073
   64   1HB   GLU   8          1HB       GLU   8 -11.001   1.003  -4.321
   65   2HB   GLU   8          2HB       GLU   8 -10.582   0.541  -2.676
   66   1HG   GLU   8          1HG       GLU   8  -8.438   1.538  -2.855
   67   2HG   GLU   8          2HG       GLU   8  -8.620   1.768  -4.592
   68    H    VAL   9           H        VAL   9 -10.336  -2.502  -2.558
   69    HA   VAL   9           HA       VAL   9  -8.107  -2.266  -0.783
   70    HB   VAL   9           HB       VAL   9 -10.255  -4.385  -0.981
   71   1HG1  VAL   9          1HG1      VAL   9  -7.827  -4.241   0.648
   72   2HG1  VAL   9          2HG1      VAL   9  -9.302  -4.493   1.580
   73   3HG1  VAL   9          3HG1      VAL   9  -8.874  -5.615   0.289
   74   1HG2  VAL   9          1HG2      VAL   9 -11.065  -2.148  -0.396
   75   2HG2  VAL   9          2HG2      VAL   9 -11.214  -3.266   0.959
   76   3HG2  VAL   9          3HG2      VAL   9  -9.910  -2.080   0.934
   77    H    ALA  10           H        ALA  10  -9.199  -4.969  -2.850
   78    HA   ALA  10           HA       ALA  10  -6.943  -6.561  -2.599
   79   1HB   ALA  10          1HB       ALA  10  -9.289  -6.822  -3.896
   80   2HB   ALA  10          2HB       ALA  10  -8.208  -6.551  -5.263
   81   3HB   ALA  10          3HB       ALA  10  -7.907  -7.887  -4.151
   82    H    GLN  11           H        GLN  11  -7.413  -3.659  -4.424
   83    HA   GLN  11           HA       GLN  11  -5.312  -3.976  -6.290
   84   1HB   GLN  11          1HB       GLN  11  -7.028  -2.338  -6.690
   85   2HB   GLN  11          2HB       GLN  11  -6.665  -1.513  -5.181
   86   1HG   GLN  11          1HG       GLN  11  -4.358  -1.707  -6.937
   87   2HG   GLN  11          2HG       GLN  11  -5.713  -0.854  -7.675
   88   1HE2  GLN  11          2HE2      GLN  11  -6.842   0.545  -5.767
   89   2HE2  GLN  11          1HE2      GLN  11  -5.737   1.643  -5.020
   90    H    LEU  12           H        LEU  12  -5.470  -2.225  -3.182
   91    HA   LEU  12           HA       LEU  12  -2.657  -1.641  -3.227
   92   1HB   LEU  12          1HB       LEU  12  -4.611  -1.434  -0.934
   93   2HB   LEU  12          2HB       LEU  12  -3.005  -0.734  -0.988
   94    HG   LEU  12           HG       LEU  12  -5.130   0.035  -2.976
   95   1HD1  LEU  12          1HD1      LEU  12  -4.549   1.304  -0.304
   96   2HD1  LEU  12          2HD1      LEU  12  -5.578   1.990  -1.559
   97   3HD1  LEU  12          3HD1      LEU  12  -6.036   0.481  -0.771
   98   1HD2  LEU  12          1HD2      LEU  12  -2.609   1.380  -2.006
   99   2HD2  LEU  12          2HD2      LEU  12  -2.840   0.593  -3.568
  100   3HD2  LEU  12          3HD2      LEU  12  -3.747   2.052  -3.174
  101    H    GLU  13           H        GLU  13  -4.731  -4.041  -1.707
  102    HA   GLU  13           HA       GLU  13  -2.958  -5.114   0.140
  103   1HB   GLU  13          1HB       GLU  13  -5.340  -6.102  -1.319
  104   2HB   GLU  13          2HB       GLU  13  -4.293  -7.331  -0.622
  105   1HG   GLU  13          1HG       GLU  13  -4.495  -6.215   1.568
  106   2HG   GLU  13          2HG       GLU  13  -5.620  -5.065   0.847
  107    H    ALA  14           H        ALA  14  -2.948  -5.329  -3.310
  108    HA   ALA  14           HA       ALA  14  -1.151  -7.603  -3.376
  109   1HB   ALA  14          1HB       ALA  14  -3.000  -6.848  -5.118
  110   2HB   ALA  14          2HB       ALA  14  -1.639  -5.951  -5.794
  111   3HB   ALA  14          3HB       ALA  14  -1.540  -7.703  -5.619
  112    H    GLU  15           H        GLU  15  -1.020  -4.110  -3.810
  113    HA   GLU  15           HA       GLU  15   1.788  -4.158  -4.513
  114   1HB   GLU  15          1HB       GLU  15   0.064  -2.491  -5.394
  115   2HB   GLU  15          2HB       GLU  15   0.152  -1.724  -3.815
  116   1HG   GLU  15          1HG       GLU  15   2.107  -0.747  -4.264
  117   2HG   GLU  15          2HG       GLU  15   2.760  -2.188  -5.043
  118    H    ASN  16           H        ASN  16  -0.146  -2.796  -1.846
  119    HA   ASN  16           HA       ASN  16   1.932  -1.936  -0.230
  120   1HB   ASN  16          1HB       ASN  16  -0.421  -1.390   0.186
  121   2HB   ASN  16          2HB       ASN  16  -0.747  -3.066   0.610
  122   1HD2  ASN  16          2HD2      ASN  16  -1.520  -2.266   2.620
  123   2HD2  ASN  16          1HD2      ASN  16  -0.415  -1.851   3.882
  124    H    TYR  17           H        TYR  17   0.845  -5.159  -0.866
  125    HA   TYR  17           HA       TYR  17   2.055  -6.331   1.464
  126   1HB   TYR  17          1HB       TYR  17   0.108  -7.382   0.428
  127   2HB   TYR  17          2HB       TYR  17   1.004  -7.602  -1.072
  128    HD1  TYR  17           HD1      TYR  17   1.169  -8.501   2.549
  129    HD2  TYR  17           HD2      TYR  17   2.073  -9.622  -1.455
  130    HE1  TYR  17           HE1      TYR  17   1.950 -10.693   3.345
  131    HE2  TYR  17           HE2      TYR  17   2.856 -11.818  -0.669
  132    HH   TYR  17           HH       TYR  17   3.706 -12.843   1.384
  133    H    GLN  18           H        GLN  18   2.793  -6.426  -2.027
  134    HA   GLN  18           HA       GLN  18   5.171  -7.869  -1.835
  135   1HB   GLN  18          1HB       GLN  18   5.728  -6.850  -4.048
  136   2HB   GLN  18          2HB       GLN  18   4.126  -7.572  -3.971
  137   1HG   GLN  18          1HG       GLN  18   3.073  -5.472  -3.879
  138   2HG   GLN  18          2HG       GLN  18   4.589  -4.640  -3.539
  139   1HE2  GLN  18          2HE2      GLN  18   5.104  -3.419  -5.202
  140   2HE2  GLN  18          1HE2      GLN  18   5.013  -3.870  -6.867
  141    H    LEU  19           H        LEU  19   4.547  -4.446  -1.390
  142    HA   LEU  19           HA       LEU  19   7.303  -3.679  -1.399
  143   1HB   LEU  19          1HB       LEU  19   4.841  -2.258  -0.396
  144   2HB   LEU  19          2HB       LEU  19   6.436  -1.535  -0.468
  145    HG   LEU  19           HG       LEU  19   4.744  -2.428  -2.799
  146   1HD1  LEU  19          1HD1      LEU  19   4.772  -0.049  -1.387
  147   2HD1  LEU  19          2HD1      LEU  19   5.777   0.279  -2.797
  148   3HD1  LEU  19          3HD1      LEU  19   4.126  -0.302  -3.008
  149   1HD2  LEU  19          1HD2      LEU  19   7.635  -1.968  -2.572
  150   2HD2  LEU  19          2HD2      LEU  19   6.718  -2.862  -3.783
  151   3HD2  LEU  19          3HD2      LEU  19   6.845  -1.107  -3.892
  152    H    GLU  20           H        GLU  20   4.865  -4.049   1.177
  153    HA   GLU  20           HA       GLU  20   6.420  -3.424   3.360
  154   1HB   GLU  20          1HB       GLU  20   3.906  -4.146   3.146
  155   2HB   GLU  20          2HB       GLU  20   4.536  -5.739   3.538
  156   1HG   GLU  20          1HG       GLU  20   5.667  -4.535   5.527
  157   2HG   GLU  20          2HG       GLU  20   4.490  -3.263   5.207
  158    H    GLN  21           H        GLN  21   6.546  -6.263   1.372
  159    HA   GLN  21           HA       GLN  21   8.253  -7.664   3.281
  160   1HB   GLN  21          1HB       GLN  21   6.370  -8.531   1.430
  161   2HB   GLN  21          2HB       GLN  21   7.909  -8.951   0.693
  162   1HG   GLN  21          1HG       GLN  21   6.956 -10.763   2.058
  163   2HG   GLN  21          2HG       GLN  21   8.544 -10.238   2.615
  164   1HE2  GLN  21          2HE2      GLN  21   8.483 -10.655   4.728
  165   2HE2  GLN  21          1HE2      GLN  21   7.303 -10.043   5.830
  166    H    GLU  22           H        GLU  22   8.451  -5.818   0.351
  167    HA   GLU  22           HA       GLU  22  11.158  -6.712  -0.225
  168   1HB   GLU  22          1HB       GLU  22   9.274  -6.042  -1.927
  169   2HB   GLU  22          2HB       GLU  22   9.851  -4.410  -1.621
  170   1HG   GLU  22          1HG       GLU  22  12.060  -5.002  -2.372
  171   2HG   GLU  22          2HG       GLU  22  11.579  -6.688  -2.558
  172    H    VAL  23           H        VAL  23   9.515  -4.017   1.252
  173    HA   VAL  23           HA       VAL  23  11.811  -2.287   1.264
  174    HB   VAL  23           HB       VAL  23   9.383  -2.012   3.028
  175   1HG1  VAL  23          1HG1      VAL  23  11.619  -0.576   3.095
  176   2HG1  VAL  23          2HG1      VAL  23  10.794   0.285   1.796
  177   3HG1  VAL  23          3HG1      VAL  23  10.032   0.137   3.380
  178   1HG2  VAL  23          1HG2      VAL  23   9.438  -2.028   0.179
  179   2HG2  VAL  23          2HG2      VAL  23   8.082  -1.699   1.256
  180   3HG2  VAL  23          3HG2      VAL  23   9.128  -0.381   0.726
  181    H    ALA  24           H        ALA  24  10.407  -4.663   3.394
  182    HA   ALA  24           HA       ALA  24  11.769  -3.930   5.763
  183   1HB   ALA  24          1HB       ALA  24   9.746  -5.459   5.522
  184   2HB   ALA  24          2HB       ALA  24  10.896  -6.725   5.093
  185   3HB   ALA  24          3HB       ALA  24  10.988  -5.949   6.674
  186    H    GLN  25           H        GLN  25  12.774  -5.591   2.910
  187    HA   GLN  25           HA       GLN  25  15.197  -6.562   4.259
  188   1HB   GLN  25          1HB       GLN  25  14.187  -7.258   1.498
  189   2HB   GLN  25          2HB       GLN  25  15.523  -8.019   2.352
  190   1HG   GLN  25          1HG       GLN  25  13.744  -8.588   4.137
  191   2HG   GLN  25          2HG       GLN  25  12.587  -8.254   2.849
  192   1HE2  GLN  25          2HE2      GLN  25  11.888 -10.085   2.030
  193   2HE2  GLN  25          1HE2      GLN  25  12.851 -11.469   1.653
  194    H    LEU  26           H        LEU  26  14.054  -4.533   1.618
  195    HA   LEU  26           HA       LEU  26  16.483  -3.983   0.372
  196   1HB   LEU  26          1HB       LEU  26  13.894  -2.524   0.628
  197   2HB   LEU  26          2HB       LEU  26  15.270  -1.677  -0.052
  198    HG   LEU  26           HG       LEU  26  14.061  -4.226  -1.124
  199   1HD1  LEU  26          1HD1      LEU  26  12.921  -1.878  -1.387
  200   2HD1  LEU  26          2HD1      LEU  26  14.170  -1.649  -2.610
  201   3HD1  LEU  26          3HD1      LEU  26  13.032  -2.988  -2.752
  202   1HD2  LEU  26          1HD2      LEU  26  16.555  -2.738  -1.752
  203   2HD2  LEU  26          2HD2      LEU  26  16.231  -4.471  -1.786
  204   3HD2  LEU  26          3HD2      LEU  26  15.643  -3.440  -3.089
  205    H    GLU  27           H        GLU  27  14.910  -2.297   3.076
  206    HA   GLU  27           HA       GLU  27  17.243  -0.592   3.427
  207   1HB   GLU  27          1HB       GLU  27  15.915   0.545   5.130
  208   2HB   GLU  27          2HB       GLU  27  15.003   0.392   3.635
  209   1HG   GLU  27          1HG       GLU  27  13.351  -0.406   4.880
  210   2HG   GLU  27          2HG       GLU  27  14.312  -1.876   5.032
  211    H    HIS  28           H        HIS  28  17.940  -3.207   3.824
  212    HA   HIS  28           HA       HIS  28  17.869  -3.745   6.682
  213   1HB   HIS  28          1HB       HIS  28  17.563  -5.585   5.035
  214   2HB   HIS  28          2HB       HIS  28  19.209  -5.317   4.472
  215    HD1  HIS  28           HD1      HIS  28  17.279  -7.089   7.056
  216    HD2  HIS  28           HD2      HIS  28  21.219  -5.930   6.429
  217    HE1  HIS  28           HE1      HIS  28  18.681  -8.433   8.676
  218    H    GLU  29           H        GLU  29  20.229  -2.976   4.160
  219    HA   GLU  29           HA       GLU  29  22.473  -3.035   5.926
  220   1HB   GLU  29          1HB       GLU  29  22.310  -1.629   3.264
  221   2HB   GLU  29          2HB       GLU  29  23.751  -2.224   4.074
  222   1HG   GLU  29          1HG       GLU  29  21.630  -4.183   3.396
  223   2HG   GLU  29          2HG       GLU  29  22.616  -3.535   2.086
  224    H    GLY  30           H        GLY  30  21.066  -0.286   4.131
  225   1HA   GLY  30          1HA       GLY  30  20.758   1.908   4.746
  226   2HA   GLY  30          2HA       GLY  30  20.871   1.381   6.419
  227   1HN   NH2  31          1HN       NH2  31  22.173   2.948   7.212
  228   2HN   NH2  31          2HN       NH2  31  23.793   3.230   6.681
  229   1H    ACE   0          1H        ACE   0 -16.901  -5.199   3.723
  230   2H    ACE   0          2H        ACE   0 -18.302  -5.367   4.781
  231   3H    ACE   0          3H        ACE   0 -17.063  -4.168   5.145
  232    H    GLU   1           H        GLU   1 -19.495  -3.162   5.088
  233    HA   GLU   1           HA       GLU   1 -20.493  -2.405   2.558
  234   1HB   GLU   1          1HB       GLU   1 -21.536  -0.471   4.065
  235   2HB   GLU   1          2HB       GLU   1 -22.149  -2.118   4.105
  236   1HG   GLU   1          1HG       GLU   1 -19.978  -1.465   5.996
  237   2HG   GLU   1          2HG       GLU   1 -21.541  -0.709   6.289
  238    H    VAL   2           H        VAL   2 -20.902   0.233   2.486
  239    HA   VAL   2           HA       VAL   2 -18.953   1.356   1.102
  240    HB   VAL   2           HB       VAL   2 -20.503   2.906   3.171
  241   1HG1  VAL   2          1HG1      VAL   2 -18.631   4.155   2.181
  242   2HG1  VAL   2          2HG1      VAL   2 -19.267   3.811   0.573
  243   3HG1  VAL   2          3HG1      VAL   2 -20.195   4.808   1.692
  244   1HG2  VAL   2          1HG2      VAL   2 -21.256   1.672   0.598
  245   2HG2  VAL   2          2HG2      VAL   2 -22.241   2.039   2.015
  246   3HG2  VAL   2          3HG2      VAL   2 -21.827   3.319   0.874
  247    H    GLN   3           H        GLN   3 -19.067   2.858   4.269
  248    HA   GLN   3           HA       GLN   3 -16.360   3.483   4.312
  249   1HB   GLN   3          1HB       GLN   3 -16.693   3.973   6.723
  250   2HB   GLN   3          2HB       GLN   3 -17.902   4.710   5.684
  251   1HG   GLN   3          1HG       GLN   3 -18.542   2.066   6.846
  252   2HG   GLN   3          2HG       GLN   3 -18.516   3.452   7.932
  253   1HE2  GLN   3          2HE2      GLN   3 -20.390   1.660   5.876
  254   2HE2  GLN   3          1HE2      GLN   3 -21.672   2.789   5.613
  255    H    ALA   4           H        ALA   4 -18.064   0.691   5.643
  256    HA   ALA   4           HA       ALA   4 -16.084  -0.398   7.229
  257   1HB   ALA   4          1HB       ALA   4 -18.138  -1.739   5.502
  258   2HB   ALA   4          2HB       ALA   4 -17.080  -2.633   6.590
  259   3HB   ALA   4          3HB       ALA   4 -18.203  -1.436   7.236
  260    H    LEU   5           H        LEU   5 -16.262  -0.235   3.758
  261    HA   LEU   5           HA       LEU   5 -13.744  -1.763   3.581
  262   1HB   LEU   5          1HB       LEU   5 -16.128  -1.607   1.836
  263   2HB   LEU   5          2HB       LEU   5 -14.579  -1.744   1.039
  264    HG   LEU   5           HG       LEU   5 -15.764  -3.688   3.020
  265   1HD1  LEU   5          1HD1      LEU   5 -16.629  -3.625   0.632
  266   2HD1  LEU   5          2HD1      LEU   5 -15.026  -4.184   0.154
  267   3HD1  LEU   5          3HD1      LEU   5 -16.021  -5.172   1.221
  268   1HD2  LEU   5          1HD2      LEU   5 -13.020  -3.361   1.953
  269   2HD2  LEU   5          2HD2      LEU   5 -13.565  -3.989   3.507
  270   3HD2  LEU   5          3HD2      LEU   5 -13.659  -5.000   2.064
  271    H    LYS   6           H        LYS   6 -15.524   1.025   2.496
  272    HA   LYS   6           HA       LYS   6 -13.700   2.195   0.769
  273   1HB   LYS   6          1HB       LYS   6 -15.897   3.050   0.811
  274   2HB   LYS   6          2HB       LYS   6 -15.859   3.256   2.550
  275   1HG   LYS   6          1HG       LYS   6 -15.045   5.328   2.391
  276   2HG   LYS   6          2HG       LYS   6 -13.834   4.848   1.202
  277   1HD   LYS   6          1HD       LYS   6 -15.068   5.600  -0.505
  278   2HD   LYS   6          2HD       LYS   6 -16.536   4.842   0.116
  279   1HE   LYS   6          1HE       LYS   6 -17.227   6.948   0.464
  280   2HE   LYS   6          2HE       LYS   6 -16.182   6.885   1.883
  281   1HZ   LYS   6          1HZ       LYS   6 -15.398   7.912  -0.792
  282   2HZ   LYS   6          2HZ       LYS   6 -15.766   8.862   0.558
  283   3HZ   LYS   6          3HZ       LYS   6 -14.402   7.860   0.575
  284    H    LYS   7           H        LYS   7 -13.830   2.176   4.257
  285    HA   LYS   7           HA       LYS   7 -11.716   4.164   4.451
  286   1HB   LYS   7          1HB       LYS   7 -12.731   2.618   6.796
  287   2HB   LYS   7          2HB       LYS   7 -12.177   4.283   6.715
  288   1HG   LYS   7          1HG       LYS   7 -14.597   3.738   5.159
  289   2HG   LYS   7          2HG       LYS   7 -14.771   3.504   6.897
  290   1HD   LYS   7          1HD       LYS   7 -15.219   5.708   6.858
  291   2HD   LYS   7          2HD       LYS   7 -13.459   5.852   6.865
  292   1HE   LYS   7          1HE       LYS   7 -13.915   5.585   4.222
  293   2HE   LYS   7          2HE       LYS   7 -15.406   6.386   4.715
  294   1HZ   LYS   7          1HZ       LYS   7 -12.935   7.511   5.758
  295   2HZ   LYS   7          2HZ       LYS   7 -13.193   7.699   4.097
  296   3HZ   LYS   7          3HZ       LYS   7 -14.329   8.290   5.201
  297    H    ARG   8           H        ARG   8 -12.239   0.736   5.140
  298    HA   ARG   8           HA       ARG   8  -9.832   0.077   6.304
  299   1HB   ARG   8          1HB       ARG   8 -10.322  -2.146   5.844
  300   2HB   ARG   8          2HB       ARG   8 -11.905  -1.387   5.802
  301   1HG   ARG   8          1HG       ARG   8 -12.195  -2.366   3.830
  302   2HG   ARG   8          2HG       ARG   8 -11.023  -1.218   3.183
  303   1HD   ARG   8          1HD       ARG   8  -9.649  -2.898   2.720
  304   2HD   ARG   8          2HD       ARG   8  -9.571  -3.302   4.434
  305    HE   ARG   8           HE       ARG   8 -11.102  -4.647   2.393
  306   1HH1  ARG   8          1HH1      ARG   8 -10.734  -4.080   5.818
  307   2HH1  ARG   8          2HH1      ARG   8 -11.554  -5.535   6.272
  308   1HH2  ARG   8          1HH2      ARG   8 -12.182  -6.558   2.990
  309   2HH2  ARG   8          2HH2      ARG   8 -12.375  -6.943   4.667
  310    H    VAL   9           H        VAL   9 -10.462   0.904   2.996
  311    HA   VAL   9           HA       VAL   9  -8.211  -0.244   1.770
  312    HB   VAL   9           HB       VAL   9  -9.678   2.289   1.009
  313   1HG1  VAL   9          1HG1      VAL   9  -7.320   1.755   0.018
  314   2HG1  VAL   9          2HG1      VAL   9  -8.204   0.561  -0.931
  315   3HG1  VAL   9          3HG1      VAL   9  -8.631   2.268  -1.042
  316   1HG2  VAL   9          1HG2      VAL   9 -10.687  -0.254   1.128
  317   2HG2  VAL   9          2HG2      VAL   9 -11.300   1.044   0.103
  318   3HG2  VAL   9          3HG2      VAL   9 -10.158  -0.132  -0.550
  319    H    GLN  10           H        GLN  10  -8.686   2.974   3.212
  320    HA   GLN  10           HA       GLN  10  -6.279   4.144   2.572
  321   1HB   GLN  10          1HB       GLN  10  -6.604   5.625   4.424
  322   2HB   GLN  10          2HB       GLN  10  -8.187   5.243   3.760
  323   1HG   GLN  10          1HG       GLN  10  -8.867   4.608   5.759
  324   2HG   GLN  10          2HG       GLN  10  -7.643   3.340   5.776
  325   1HE2  GLN  10          2HE2      GLN  10  -5.359   4.944   5.831
  326   2HE2  GLN  10          1HE2      GLN  10  -5.287   5.747   7.358
  327    H    ALA  11           H        ALA  11  -6.919   1.665   4.940
  328    HA   ALA  11           HA       ALA  11  -4.511   1.898   6.406
  329   1HB   ALA  11          1HB       ALA  11  -6.412  -0.406   6.034
  330   2HB   ALA  11          2HB       ALA  11  -5.032  -0.443   7.131
  331   3HB   ALA  11          3HB       ALA  11  -6.330   0.723   7.388
  332    H    LEU  12           H        LEU  12  -5.085   0.816   3.240
  333    HA   LEU  12           HA       LEU  12  -2.714  -0.902   3.228
  334   1HB   LEU  12          1HB       LEU  12  -4.314  -0.445   0.767
  335   2HB   LEU  12          2HB       LEU  12  -3.508  -1.896   1.314
  336    HG   LEU  12           HG       LEU  12  -5.927  -0.928   2.787
  337   1HD1  LEU  12          1HD1      LEU  12  -5.917  -2.438   0.184
  338   2HD1  LEU  12          2HD1      LEU  12  -7.296  -2.361   1.280
  339   3HD1  LEU  12          3HD1      LEU  12  -6.688  -0.888   0.525
  340   1HD2  LEU  12          1HD2      LEU  12  -4.472  -2.809   3.597
  341   2HD2  LEU  12          2HD2      LEU  12  -6.172  -3.218   3.364
  342   3HD2  LEU  12          3HD2      LEU  12  -4.974  -3.714   2.168
  343    H    LYS  13           H        LYS  13  -4.074   1.899   1.527
  344    HA   LYS  13           HA       LYS  13  -1.636   2.395   0.087
  345   1HB   LYS  13          1HB       LYS  13  -2.819   4.447  -0.687
  346   2HB   LYS  13          2HB       LYS  13  -3.684   2.954  -1.007
  347   1HG   LYS  13          1HG       LYS  13  -5.451   3.961  -0.109
  348   2HG   LYS  13          2HG       LYS  13  -4.659   3.713   1.449
  349   1HD   LYS  13          1HD       LYS  13  -4.637   5.922   1.704
  350   2HD   LYS  13          2HD       LYS  13  -3.468   5.993   0.384
  351   1HE   LYS  13          1HE       LYS  13  -5.870   5.755  -0.933
  352   2HE   LYS  13          2HE       LYS  13  -6.279   6.774   0.447
  353   1HZ   LYS  13          1HZ       LYS  13  -3.908   7.366  -1.206
  354   2HZ   LYS  13          2HZ       LYS  13  -5.444   7.880  -1.693
  355   3HZ   LYS  13          3HZ       LYS  13  -4.805   8.409  -0.220
  356    H    ALA  14           H        ALA  14  -2.968   3.401   3.120
  357    HA   ALA  14           HA       ALA  14  -1.732   5.866   3.490
  358   1HB   ALA  14          1HB       ALA  14  -2.482   3.699   5.430
  359   2HB   ALA  14          2HB       ALA  14  -1.763   5.220   5.957
  360   3HB   ALA  14          3HB       ALA  14  -3.309   5.223   5.106
  361    H    ARG  15           H        ARG  15  -0.532   2.725   4.691
  362    HA   ARG  15           HA       ARG  15   2.075   3.788   5.216
  363   1HB   ARG  15          1HB       ARG  15   1.104   1.958   6.555
  364   2HB   ARG  15          2HB       ARG  15   1.129   0.916   5.140
  365   1HG   ARG  15          1HG       ARG  15   3.060   0.224   6.073
  366   2HG   ARG  15          2HG       ARG  15   3.705   1.609   5.190
  367   1HD   ARG  15          1HD       ARG  15   4.197   2.716   7.071
  368   2HD   ARG  15          2HD       ARG  15   2.652   2.310   7.817
  369    HE   ARG  15           HE       ARG  15   4.200   0.006   7.839
  370   1HH1  ARG  15          1HH1      ARG  15   4.308   3.209   9.220
  371   2HH1  ARG  15          2HH1      ARG  15   5.185   2.708  10.627
  372   1HH2  ARG  15          1HH2      ARG  15   5.352  -0.655   9.689
  373   2HH2  ARG  15          2HH2      ARG  15   5.778   0.514  10.893
  374    H    ASN  16           H        ASN  16   0.609   1.833   2.679
  375    HA   ASN  16           HA       ASN  16   2.930   1.062   1.328
  376   1HB   ASN  16          1HB       ASN  16   0.802   0.055   0.800
  377   2HB   ASN  16          2HB       ASN  16   0.145   1.600   0.281
  378   1HD2  ASN  16          2HD2      ASN  16  -0.358   0.344  -1.659
  379   2HD2  ASN  16          1HD2      ASN  16   0.847   0.202  -2.888
  380    H    TYR  17           H        TYR  17   0.957   3.989   1.029
  381    HA   TYR  17           HA       TYR  17   2.126   5.129  -1.202
  382   1HB   TYR  17          1HB       TYR  17   0.168   6.115  -0.185
  383   2HB   TYR  17          2HB       TYR  17   1.062   6.471   1.289
  384    HD1  TYR  17           HD1      TYR  17   1.263   7.178  -2.379
  385    HD2  TYR  17           HD2      TYR  17   1.810   8.633   1.581
  386    HE1  TYR  17           HE1      TYR  17   1.858   9.388  -3.279
  387    HE2  TYR  17           HE2      TYR  17   2.406  10.847   0.692
  388    HH   TYR  17           HH       TYR  17   1.818  11.782  -2.459
  389    H    ALA  18           H        ALA  18   3.221   5.188   2.156
  390    HA   ALA  18           HA       ALA  18   5.373   6.983   1.747
  391   1HB   ALA  18          1HB       ALA  18   4.634   5.050   3.903
  392   2HB   ALA  18          2HB       ALA  18   6.224   5.811   3.913
  393   3HB   ALA  18          3HB       ALA  18   4.770   6.807   3.968
  394    H    LEU  19           H        LEU  19   5.193   3.429   1.806
  395    HA   LEU  19           HA       LEU  19   7.953   2.995   1.432
  396   1HB   LEU  19          1HB       LEU  19   6.039   1.064   0.237
  397   2HB   LEU  19          2HB       LEU  19   7.472   0.769   1.194
  398    HG   LEU  19           HG       LEU  19   4.740   1.547   2.191
  399   1HD1  LEU  19          1HD1      LEU  19   6.491  -0.876   2.498
  400   2HD1  LEU  19          2HD1      LEU  19   5.091  -0.562   3.525
  401   3HD1  LEU  19          3HD1      LEU  19   4.880  -0.777   1.787
  402   1HD2  LEU  19          1HD2      LEU  19   7.399   1.612   3.566
  403   2HD2  LEU  19          2HD2      LEU  19   6.100   2.805   3.594
  404   3HD2  LEU  19          3HD2      LEU  19   5.918   1.285   4.468
  405    H    LYS  20           H        LYS  20   5.281   2.860  -0.924
  406    HA   LYS  20           HA       LYS  20   6.567   2.404  -3.255
  407   1HB   LYS  20          1HB       LYS  20   4.074   3.251  -2.605
  408   2HB   LYS  20          2HB       LYS  20   4.697   4.685  -3.406
  409   1HG   LYS  20          1HG       LYS  20   5.426   2.950  -5.240
  410   2HG   LYS  20          2HG       LYS  20   4.140   1.983  -4.513
  411   1HD   LYS  20          1HD       LYS  20   2.949   4.433  -4.754
  412   2HD   LYS  20          2HD       LYS  20   3.981   4.384  -6.185
  413   1HE   LYS  20          1HE       LYS  20   2.982   1.992  -6.473
  414   2HE   LYS  20          2HE       LYS  20   1.709   2.601  -5.418
  415   1HZ   LYS  20          1HZ       LYS  20   2.479   4.240  -7.714
  416   2HZ   LYS  20          2HZ       LYS  20   1.575   2.843  -8.017
  417   3HZ   LYS  20          3HZ       LYS  20   0.964   4.041  -6.990
  418    H    GLN  21           H        GLN  21   6.754   5.334  -1.366
  419    HA   GLN  21           HA       GLN  21   8.075   6.836  -3.439
  420   1HB   GLN  21          1HB       GLN  21   6.647   8.019  -1.895
  421   2HB   GLN  21          2HB       GLN  21   7.573   7.430  -0.523
  422   1HG   GLN  21          1HG       GLN  21   9.489   8.728  -1.208
  423   2HG   GLN  21          2HG       GLN  21   8.649   9.246  -2.668
  424   1HE2  GLN  21          2HE2      GLN  21   8.863  11.416  -2.118
  425   2HE2  GLN  21          1HE2      GLN  21   7.921  12.144  -0.866
  426    H    LYS  22           H        LYS  22   9.025   5.190  -0.445
  427    HA   LYS  22           HA       LYS  22  11.807   5.941  -0.842
  428   1HB   LYS  22          1HB       LYS  22  12.186   4.750   1.297
  429   2HB   LYS  22          2HB       LYS  22  10.981   6.025   1.417
  430   1HG   LYS  22          1HG       LYS  22   9.467   4.595   2.163
  431   2HG   LYS  22          2HG       LYS  22   9.704   3.548   0.762
  432   1HD   LYS  22          1HD       LYS  22  10.136   2.345   2.842
  433   2HD   LYS  22          2HD       LYS  22  11.603   2.485   1.874
  434   1HE   LYS  22          1HE       LYS  22  12.214   2.948   4.119
  435   2HE   LYS  22          2HE       LYS  22  12.207   4.488   3.263
  436   1HZ   LYS  22          1HZ       LYS  22   9.995   3.479   4.970
  437   2HZ   LYS  22          2HZ       LYS  22  11.142   4.627   5.446
  438   3HZ   LYS  22          3HZ       LYS  22  10.055   4.984   4.199
  439    H    VAL  23           H        VAL  23   9.768   3.111  -1.185
  440    HA   VAL  23           HA       VAL  23  11.422   0.990  -1.178
  441    HB   VAL  23           HB       VAL  23   9.373   1.547  -3.326
  442   1HG1  VAL  23          1HG1      VAL  23  11.017  -0.842  -2.680
  443   2HG1  VAL  23          2HG1      VAL  23   9.335  -1.100  -3.142
  444   3HG1  VAL  23          3HG1      VAL  23  10.431  -0.258  -4.238
  445   1HG2  VAL  23          1HG2      VAL  23   9.003   1.263  -0.603
  446   2HG2  VAL  23          2HG2      VAL  23   7.777   1.035  -1.850
  447   3HG2  VAL  23          3HG2      VAL  23   8.679  -0.350  -1.236
  448    H    GLN  24           H        GLN  24  10.893   2.888  -4.161
  449    HA   GLN  24           HA       GLN  24  12.922   1.687  -5.652
  450   1HB   GLN  24          1HB       GLN  24  12.787   3.683  -7.106
  451   2HB   GLN  24          2HB       GLN  24  11.206   3.023  -6.713
  452   1HG   GLN  24          1HG       GLN  24  10.596   4.833  -5.491
  453   2HG   GLN  24          2HG       GLN  24  12.245   5.175  -4.969
  454   1HE2  GLN  24          2HE2      GLN  24   9.897   5.572  -7.508
  455   2HE2  GLN  24          1HE2      GLN  24  10.725   6.834  -8.350
  456    H    ALA  25           H        ALA  25  13.045   4.214  -3.262
  457    HA   ALA  25           HA       ALA  25  15.642   5.183  -3.936
  458   1HB   ALA  25          1HB       ALA  25  13.740   6.281  -2.520
  459   2HB   ALA  25          2HB       ALA  25  14.521   5.438  -1.183
  460   3HB   ALA  25          3HB       ALA  25  15.432   6.606  -2.141
  461    H    LEU  26           H        LEU  26  14.431   2.566  -1.983
  462    HA   LEU  26           HA       LEU  26  16.891   2.147  -0.556
  463   1HB   LEU  26          1HB       LEU  26  14.560   0.260  -0.894
  464   2HB   LEU  26          2HB       LEU  26  15.831   0.145   0.308
  465    HG   LEU  26           HG       LEU  26  13.877   2.437   0.169
  466   1HD1  LEU  26          1HD1      LEU  26  13.701  -0.233   1.459
  467   2HD1  LEU  26          2HD1      LEU  26  13.092   1.164   2.345
  468   3HD1  LEU  26          3HD1      LEU  26  12.434   0.772   0.757
  469   1HD2  LEU  26          1HD2      LEU  26  15.871   1.542   2.244
  470   2HD2  LEU  26          2HD2      LEU  26  15.909   3.031   1.298
  471   3HD2  LEU  26          3HD2      LEU  26  14.647   2.785   2.506
  472    H    ARG  27           H        ARG  27  15.137   0.183  -2.968
  473    HA   ARG  27           HA       ARG  27  17.082  -1.712  -3.439
  474   1HB   ARG  27          1HB       ARG  27  16.042  -1.878  -5.761
  475   2HB   ARG  27          2HB       ARG  27  14.967  -2.101  -4.389
  476   1HG   ARG  27          1HG       ARG  27  14.719   0.565  -4.809
  477   2HG   ARG  27          2HG       ARG  27  14.999  -0.016  -6.451
  478   1HD   ARG  27          1HD       ARG  27  13.192  -1.833  -5.401
  479   2HD   ARG  27          2HD       ARG  27  12.656  -0.282  -4.752
  480    HE   ARG  27           HE       ARG  27  13.043   0.254  -7.371
  481   1HH1  ARG  27          1HH1      ARG  27  11.253  -2.227  -5.692
  482   2HH1  ARG  27          2HH1      ARG  27  10.064  -2.389  -6.940
  483   1HH2  ARG  27          1HH2      ARG  27  11.480   0.042  -9.014
  484   2HH2  ARG  27          2HH2      ARG  27  10.193  -1.102  -8.827
  485    H    HIS  28           H        HIS  28  16.584   1.283  -5.326
  486    HA   HIS  28           HA       HIS  28  18.948   0.912  -6.868
  487   1HB   HIS  28          1HB       HIS  28  16.897   3.032  -6.565
  488   2HB   HIS  28          2HB       HIS  28  18.470   3.548  -7.163
  489    HD1  HIS  28           HD1      HIS  28  19.213   1.324  -9.076
  490    HD2  HIS  28           HD2      HIS  28  15.361   2.844  -8.749
  491    HE1  HIS  28           HE1      HIS  28  18.052   0.790 -11.258
  492    H    LYS  29           H        LYS  29  18.280   3.702  -4.771
  493    HA   LYS  29           HA       LYS  29  21.066   4.131  -4.298
  494   1HB   LYS  29          1HB       LYS  29  19.062   5.827  -4.333
  495   2HB   LYS  29          2HB       LYS  29  18.929   5.403  -2.631
  496   1HG   LYS  29          1HG       LYS  29  20.254   7.354  -2.754
  497   2HG   LYS  29          2HG       LYS  29  21.351   6.019  -2.394
  498   1HD   LYS  29          1HD       LYS  29  22.500   7.147  -4.051
  499   2HD   LYS  29          2HD       LYS  29  21.643   5.916  -4.978
  500   1HE   LYS  29          1HE       LYS  29  19.977   8.226  -4.687
  501   2HE   LYS  29          2HE       LYS  29  21.555   8.714  -5.304
  502   1HZ   LYS  29          1HZ       LYS  29  21.294   6.920  -7.000
  503   2HZ   LYS  29          2HZ       LYS  29  19.694   6.732  -6.485
  504   3HZ   LYS  29          3HZ       LYS  29  20.201   8.201  -7.156
  505    H    GLY  30           H        GLY  30  22.307   3.544  -2.603
  506   1HA   GLY  30          1HA       GLY  30  22.558   3.031  -0.250
  507   2HA   GLY  30          2HA       GLY  30  20.979   2.263  -0.303
  508   1HN   NH2  31          1HN       NH2  31  21.568   0.914  -2.837
  509   2HN   NH2  31          2HN       NH2  31  22.629  -0.392  -2.442
  Start of MODEL    6
    1   1H    ACE   0          1H        ACE   0 -18.960   9.175  -3.817
    2   2H    ACE   0          2H        ACE   0 -18.513  10.207  -5.176
    3   3H    ACE   0          3H        ACE   0 -17.302   9.753  -3.976
    4    H    GLU   1           H        GLU   1 -15.927   8.271  -4.711
    5    HA   GLU   1           HA       GLU   1 -16.700   6.516  -6.901
    6   1HB   GLU   1          1HB       GLU   1 -14.007   6.591  -5.559
    7   2HB   GLU   1          2HB       GLU   1 -14.397   6.068  -7.190
    8   1HG   GLU   1          1HG       GLU   1 -13.762   8.077  -7.868
    9   2HG   GLU   1          2HG       GLU   1 -15.233   8.701  -7.123
   10    H    VAL   2           H        VAL   2 -17.834   4.778  -6.263
   11    HA   VAL   2           HA       VAL   2 -17.239   3.442  -3.760
   12    HB   VAL   2           HB       VAL   2 -19.229   2.654  -5.894
   13   1HG1  VAL   2          1HG1      VAL   2 -18.507   1.573  -3.245
   14   2HG1  VAL   2          2HG1      VAL   2 -20.231   1.701  -3.590
   15   3HG1  VAL   2          3HG1      VAL   2 -19.186   0.764  -4.656
   16   1HG2  VAL   2          1HG2      VAL   2 -19.549   4.948  -4.889
   17   2HG2  VAL   2          2HG2      VAL   2 -20.897   3.829  -4.687
   18   3HG2  VAL   2          3HG2      VAL   2 -19.802   4.143  -3.341
   19    H    ALA   3           H        ALA   3 -17.227   2.601  -7.220
   20    HA   ALA   3           HA       ALA   3 -16.227   0.003  -6.964
   21   1HB   ALA   3          1HB       ALA   3 -16.412   1.989  -9.145
   22   2HB   ALA   3          2HB       ALA   3 -15.246   0.684  -9.362
   23   3HB   ALA   3          3HB       ALA   3 -16.948   0.310  -9.088
   24    H    GLN   4           H        GLN   4 -14.667   3.042  -6.566
   25    HA   GLN   4           HA       GLN   4 -12.000   1.966  -6.959
   26   1HB   GLN   4          1HB       GLN   4 -13.158   4.664  -6.451
   27   2HB   GLN   4          2HB       GLN   4 -11.480   4.384  -6.008
   28   1HG   GLN   4          1HG       GLN   4 -12.256   3.492  -8.702
   29   2HG   GLN   4          2HG       GLN   4 -12.278   5.233  -8.429
   30   1HE2  GLN   4          2HE2      GLN   4 -10.156   2.717  -7.130
   31   2HE2  GLN   4          1HE2      GLN   4  -8.689   3.391  -7.746
   32    H    LEU   5           H        LEU   5 -14.034   1.340  -4.654
   33    HA   LEU   5           HA       LEU   5 -12.041   1.574  -2.502
   34   1HB   LEU   5          1HB       LEU   5 -15.044   1.643  -2.197
   35   2HB   LEU   5          2HB       LEU   5 -13.874   1.730  -0.892
   36    HG   LEU   5           HG       LEU   5 -14.131   3.794  -3.078
   37   1HD1  LEU   5          1HD1      LEU   5 -15.157   3.842  -0.245
   38   2HD1  LEU   5          2HD1      LEU   5 -15.173   5.202  -1.368
   39   3HD1  LEU   5          3HD1      LEU   5 -16.137   3.764  -1.709
   40   1HD2  LEU   5          1HD2      LEU   5 -11.913   3.423  -1.814
   41   2HD2  LEU   5          2HD2      LEU   5 -12.561   5.059  -1.928
   42   3HD2  LEU   5          3HD2      LEU   5 -12.760   4.135  -0.440
   43    H    GLU   6           H        GLU   6 -14.727  -0.308  -3.836
   44    HA   GLU   6           HA       GLU   6 -14.516  -2.527  -2.130
   45   1HB   GLU   6          1HB       GLU   6 -15.460  -2.359  -4.998
   46   2HB   GLU   6          2HB       GLU   6 -15.679  -3.762  -3.963
   47   1HG   GLU   6          1HG       GLU   6 -16.870  -2.136  -2.369
   48   2HG   GLU   6          2HG       GLU   6 -16.945  -1.060  -3.764
   49    H    LYS   7           H        LYS   7 -13.610  -2.632  -5.561
   50    HA   LYS   7           HA       LYS   7 -11.826  -4.781  -5.254
   51   1HB   LYS   7          1HB       LYS   7 -10.941  -3.945  -7.528
   52   2HB   LYS   7          2HB       LYS   7 -12.616  -4.470  -7.436
   53   1HG   LYS   7          1HG       LYS   7 -13.413  -2.243  -7.454
   54   2HG   LYS   7          2HG       LYS   7 -11.797  -1.590  -7.182
   55   1HD   LYS   7          1HD       LYS   7 -11.493  -3.083  -9.478
   56   2HD   LYS   7          2HD       LYS   7 -13.105  -2.389  -9.662
   57   1HE   LYS   7          1HE       LYS   7 -11.998  -0.613 -10.477
   58   2HE   LYS   7          2HE       LYS   7 -11.711  -0.237  -8.779
   59   1HZ   LYS   7          1HZ       LYS   7  -9.673  -1.838  -9.208
   60   2HZ   LYS   7          2HZ       LYS   7  -9.869  -1.273 -10.791
   61   3HZ   LYS   7          3HZ       LYS   7  -9.591  -0.181  -9.530
   62    H    GLU   8           H        GLU   8 -11.477  -1.445  -4.592
   63    HA   GLU   8           HA       GLU   8  -8.702  -1.157  -4.950
   64   1HB   GLU   8          1HB       GLU   8 -10.393   0.682  -4.573
   65   2HB   GLU   8          2HB       GLU   8 -10.366   0.254  -2.868
   66   1HG   GLU   8          1HG       GLU   8  -8.649   1.615  -2.601
   67   2HG   GLU   8          2HG       GLU   8  -7.688   0.549  -3.625
   68    H    VAL   9           H        VAL   9 -10.614  -2.645  -2.447
   69    HA   VAL   9           HA       VAL   9  -8.591  -2.650  -0.442
   70    HB   VAL   9           HB       VAL   9 -11.295  -3.678  -0.704
   71   1HG1  VAL   9          1HG1      VAL   9  -9.277  -5.466   0.644
   72   2HG1  VAL   9          2HG1      VAL   9 -11.010  -5.523   0.972
   73   3HG1  VAL   9          3HG1      VAL   9 -10.406  -5.887  -0.644
   74   1HG2  VAL   9          1HG2      VAL   9 -10.639  -1.915   0.826
   75   2HG2  VAL   9          2HG2      VAL   9 -11.302  -3.286   1.714
   76   3HG2  VAL   9          3HG2      VAL   9  -9.560  -3.024   1.672
   77    H    ALA  10           H        ALA  10  -9.786  -5.219  -2.623
   78    HA   ALA  10           HA       ALA  10  -7.908  -7.165  -1.939
   79   1HB   ALA  10          1HB       ALA  10 -10.019  -7.180  -3.552
   80   2HB   ALA  10          2HB       ALA  10  -8.764  -6.988  -4.777
   81   3HB   ALA  10          3HB       ALA  10  -8.728  -8.374  -3.688
   82    H    GLN  11           H        GLN  11  -7.648  -4.322  -3.894
   83    HA   GLN  11           HA       GLN  11  -5.328  -4.963  -5.362
   84   1HB   GLN  11          1HB       GLN  11  -6.692  -3.112  -6.043
   85   2HB   GLN  11          2HB       GLN  11  -6.532  -2.337  -4.479
   86   1HG   GLN  11          1HG       GLN  11  -4.996  -1.096  -5.533
   87   2HG   GLN  11          2HG       GLN  11  -3.941  -2.472  -5.227
   88   1HE2  GLN  11          2HE2      GLN  11  -4.189  -0.388  -7.422
   89   2HE2  GLN  11          1HE2      GLN  11  -4.152  -1.315  -8.880
   90    H    LEU  12           H        LEU  12  -5.474  -2.576  -2.721
   91    HA   LEU  12           HA       LEU  12  -2.933  -2.208  -2.016
   92   1HB   LEU  12          1HB       LEU  12  -4.673  -2.944   0.258
   93   2HB   LEU  12          2HB       LEU  12  -3.649  -1.542   0.035
   94    HG   LEU  12           HG       LEU  12  -6.355  -2.002  -1.191
   95   1HD1  LEU  12          1HD1      LEU  12  -5.912  -1.269   1.293
   96   2HD1  LEU  12          2HD1      LEU  12  -5.704   0.298   0.528
   97   3HD1  LEU  12          3HD1      LEU  12  -7.212  -0.586   0.327
   98   1HD2  LEU  12          1HD2      LEU  12  -4.373  -0.669  -2.428
   99   2HD2  LEU  12          2HD2      LEU  12  -6.070  -0.230  -2.562
  100   3HD2  LEU  12          3HD2      LEU  12  -5.031   0.621  -1.429
  101    H    GLU  13           H        GLU  13  -4.767  -4.724  -0.275
  102    HA   GLU  13           HA       GLU  13  -2.823  -6.024   1.045
  103   1HB   GLU  13          1HB       GLU  13  -5.101  -7.348  -0.432
  104   2HB   GLU  13          2HB       GLU  13  -4.164  -8.091   0.856
  105   1HG   GLU  13          1HG       GLU  13  -4.937  -6.382   2.414
  106   2HG   GLU  13          2HG       GLU  13  -5.871  -5.628   1.124
  107    H    ALA  14           H        ALA  14  -3.448  -6.318  -2.403
  108    HA   ALA  14           HA       ALA  14  -1.688  -8.509  -2.831
  109   1HB   ALA  14          1HB       ALA  14  -3.435  -6.902  -4.413
  110   2HB   ALA  14          2HB       ALA  14  -1.860  -6.983  -5.202
  111   3HB   ALA  14          3HB       ALA  14  -2.720  -8.467  -4.795
  112    H    GLU  15           H        GLU  15  -1.323  -5.015  -3.528
  113    HA   GLU  15           HA       GLU  15   1.455  -5.299  -4.033
  114   1HB   GLU  15          1HB       GLU  15   1.040  -2.647  -3.833
  115   2HB   GLU  15          2HB       GLU  15   0.779  -3.583  -5.280
  116   1HG   GLU  15          1HG       GLU  15  -1.470  -3.262  -3.381
  117   2HG   GLU  15          2HG       GLU  15  -1.003  -1.896  -4.389
  118    H    ASN  16           H        ASN  16  -0.498  -3.710  -1.455
  119    HA   ASN  16           HA       ASN  16   1.515  -2.677   0.082
  120   1HB   ASN  16          1HB       ASN  16  -0.955  -2.531   0.524
  121   2HB   ASN  16          2HB       ASN  16  -0.873  -4.153   1.206
  122   1HD2  ASN  16          2HD2      ASN  16  -1.629  -3.255   3.170
  123   2HD2  ASN  16          1HD2      ASN  16  -0.551  -2.414   4.226
  124    H    TYR  17           H        TYR  17   0.699  -6.035  -0.355
  125    HA   TYR  17           HA       TYR  17   2.452  -6.883   1.808
  126   1HB   TYR  17          1HB       TYR  17   0.441  -8.161   1.607
  127   2HB   TYR  17          2HB       TYR  17   0.687  -8.397  -0.119
  128    HD1  TYR  17           HD1      TYR  17   2.379  -9.986  -0.926
  129    HD2  TYR  17           HD2      TYR  17   1.562  -9.543   3.225
  130    HE1  TYR  17           HE1      TYR  17   3.538 -12.107  -0.479
  131    HE2  TYR  17           HE2      TYR  17   2.719 -11.664   3.685
  132    HH   TYR  17           HH       TYR  17   4.794 -13.046   1.923
  133    H    GLN  18           H        GLN  18   2.441  -6.598  -1.663
  134    HA   GLN  18           HA       GLN  18   4.705  -8.281  -2.121
  135   1HB   GLN  18          1HB       GLN  18   2.864  -7.581  -3.784
  136   2HB   GLN  18          2HB       GLN  18   3.785  -6.095  -3.971
  137   1HG   GLN  18          1HG       GLN  18   5.529  -7.143  -5.026
  138   2HG   GLN  18          2HG       GLN  18   5.177  -8.706  -4.291
  139   1HE2  GLN  18          2HE2      GLN  18   3.762  -6.337  -6.517
  140   2HE2  GLN  18          1HE2      GLN  18   3.075  -7.501  -7.594
  141    H    LEU  19           H        LEU  19   4.226  -4.795  -1.753
  142    HA   LEU  19           HA       LEU  19   6.980  -4.164  -2.254
  143   1HB   LEU  19          1HB       LEU  19   4.738  -2.528  -1.084
  144   2HB   LEU  19          2HB       LEU  19   6.321  -1.895  -1.486
  145    HG   LEU  19           HG       LEU  19   4.483  -3.155  -3.515
  146   1HD1  LEU  19          1HD1      LEU  19   4.406  -0.521  -2.294
  147   2HD1  LEU  19          2HD1      LEU  19   4.592  -0.453  -4.046
  148   3HD1  LEU  19          3HD1      LEU  19   3.233  -1.322  -3.338
  149   1HD2  LEU  19          1HD2      LEU  19   7.162  -1.899  -3.571
  150   2HD2  LEU  19          2HD2      LEU  19   6.498  -3.203  -4.555
  151   3HD2  LEU  19          3HD2      LEU  19   6.071  -1.527  -4.905
  152    H    GLU  20           H        GLU  20   4.914  -4.065   0.660
  153    HA   GLU  20           HA       GLU  20   6.763  -3.293   2.526
  154   1HB   GLU  20          1HB       GLU  20   4.275  -3.818   2.830
  155   2HB   GLU  20          2HB       GLU  20   4.775  -5.483   3.086
  156   1HG   GLU  20          1HG       GLU  20   5.058  -4.996   5.221
  157   2HG   GLU  20          2HG       GLU  20   6.413  -3.970   4.754
  158    H    GLN  21           H        GLN  21   6.508  -6.365   0.916
  159    HA   GLN  21           HA       GLN  21   8.318  -7.713   2.718
  160   1HB   GLN  21          1HB       GLN  21   6.415  -8.547   0.884
  161   2HB   GLN  21          2HB       GLN  21   7.936  -8.961   0.108
  162   1HG   GLN  21          1HG       GLN  21   7.819  -9.697   2.929
  163   2HG   GLN  21          2HG       GLN  21   6.608 -10.497   1.929
  164   1HE2  GLN  21          2HE2      GLN  21   8.907 -11.639   3.276
  165   2HE2  GLN  21          1HE2      GLN  21   9.877 -12.374   2.050
  166    H    GLU  22           H        GLU  22   8.489  -5.980  -0.311
  167    HA   GLU  22           HA       GLU  22  11.238  -6.810  -0.790
  168   1HB   GLU  22          1HB       GLU  22   9.511  -4.832  -2.292
  169   2HB   GLU  22          2HB       GLU  22  11.082  -5.429  -2.811
  170   1HG   GLU  22          1HG       GLU  22   8.834  -7.326  -2.287
  171   2HG   GLU  22          2HG       GLU  22   8.945  -6.456  -3.817
  172    H    VAL  23           H        VAL  23   9.486  -4.200   0.632
  173    HA   VAL  23           HA       VAL  23  11.634  -2.292   0.523
  174    HB   VAL  23           HB       VAL  23   9.227  -2.187   2.336
  175   1HG1  VAL  23          1HG1      VAL  23  11.331  -0.583   2.392
  176   2HG1  VAL  23          2HG1      VAL  23  10.458   0.200   1.075
  177   3HG1  VAL  23          3HG1      VAL  23   9.694   0.018   2.653
  178   1HG2  VAL  23          1HG2      VAL  23   9.152  -2.334  -0.457
  179   2HG2  VAL  23          2HG2      VAL  23   7.852  -1.832   0.623
  180   3HG2  VAL  23          3HG2      VAL  23   8.938  -0.627  -0.070
  181    H    ALA  24           H        ALA  24  10.450  -4.696   2.766
  182    HA   ALA  24           HA       ALA  24  11.731  -3.849   5.104
  183   1HB   ALA  24          1HB       ALA  24  10.066  -5.890   4.483
  184   2HB   ALA  24          2HB       ALA  24  11.586  -6.758   4.695
  185   3HB   ALA  24          3HB       ALA  24  10.950  -5.760   6.003
  186    H    GLN  25           H        GLN  25  12.916  -5.625   2.328
  187    HA   GLN  25           HA       GLN  25  15.435  -6.266   3.595
  188   1HB   GLN  25          1HB       GLN  25  14.005  -7.107   1.245
  189   2HB   GLN  25          2HB       GLN  25  15.642  -6.641   0.805
  190   1HG   GLN  25          1HG       GLN  25  16.064  -8.143   3.041
  191   2HG   GLN  25          2HG       GLN  25  14.681  -8.952   2.306
  192   1HE2  GLN  25          2HE2      GLN  25  16.172 -10.733   2.032
  193   2HE2  GLN  25          1HE2      GLN  25  17.232 -10.751   0.668
  194    H    LEU  26           H        LEU  26  14.228  -4.007   1.161
  195    HA   LEU  26           HA       LEU  26  16.669  -2.926   0.340
  196   1HB   LEU  26          1HB       LEU  26  13.927  -1.686   0.527
  197   2HB   LEU  26          2HB       LEU  26  15.294  -0.893  -0.233
  198    HG   LEU  26           HG       LEU  26  14.296  -3.588  -1.130
  199   1HD1  LEU  26          1HD1      LEU  26  12.687  -1.465  -1.224
  200   2HD1  LEU  26          2HD1      LEU  26  13.632  -1.158  -2.681
  201   3HD1  LEU  26          3HD1      LEU  26  12.748  -2.673  -2.507
  202   1HD2  LEU  26          1HD2      LEU  26  16.176  -1.523  -2.222
  203   2HD2  LEU  26          2HD2      LEU  26  16.449  -3.245  -1.959
  204   3HD2  LEU  26          3HD2      LEU  26  15.402  -2.709  -3.273
  205    H    GLU  27           H        GLU  27  14.412  -1.650   2.797
  206    HA   GLU  27           HA       GLU  27  16.492   0.131   3.786
  207   1HB   GLU  27          1HB       GLU  27  14.719   1.029   5.246
  208   2HB   GLU  27          2HB       GLU  27  14.253   1.051   3.552
  209   1HG   GLU  27          1HG       GLU  27  12.450  -0.152   3.979
  210   2HG   GLU  27          2HG       GLU  27  13.419  -1.412   4.741
  211    H    HIS  28           H        HIS  28  17.556  -2.142   4.271
  212    HA   HIS  28           HA       HIS  28  16.772  -3.697   6.431
  213   1HB   HIS  28          1HB       HIS  28  18.733  -3.995   4.746
  214   2HB   HIS  28          2HB       HIS  28  19.671  -3.094   5.933
  215    HD1  HIS  28           HD1      HIS  28  18.490  -6.470   5.162
  216    HD2  HIS  28           HD2      HIS  28  19.769  -4.391   8.524
  217    HE1  HIS  28           HE1      HIS  28  19.054  -8.215   6.904
  218    H    GLU  29           H        GLU  29  18.370  -0.588   6.371
  219    HA   GLU  29           HA       GLU  29  19.187  -0.582   9.094
  220   1HB   GLU  29          1HB       GLU  29  19.248   1.243   6.841
  221   2HB   GLU  29          2HB       GLU  29  18.832   2.082   8.329
  222   1HG   GLU  29          1HG       GLU  29  21.117   0.204   8.422
  223   2HG   GLU  29          2HG       GLU  29  21.337   1.717   7.545
  224    H    GLY  30           H        GLY  30  16.185   0.048   7.489
  225   1HA   GLY  30          1HA       GLY  30  15.043   1.544   9.682
  226   2HA   GLY  30          2HA       GLY  30  14.200   0.992   8.242
  227   1HN   NH2  31          1HN       NH2  31  14.482  -1.671   8.282
  228   2HN   NH2  31          2HN       NH2  31  13.761  -2.351   9.698
  229   1H    ACE   0          1H        ACE   0 -17.667  -2.312   4.077
  230   2H    ACE   0          2H        ACE   0 -18.695  -3.455   3.211
  231   3H    ACE   0          3H        ACE   0 -19.404  -2.335   4.375
  232    H    GLU   1           H        GLU   1 -19.660  -0.147   3.807
  233    HA   GLU   1           HA       GLU   1 -19.796   0.310   0.941
  234   1HB   GLU   1          1HB       GLU   1 -20.711   2.193   3.109
  235   2HB   GLU   1          2HB       GLU   1 -21.239   2.138   1.433
  236   1HG   GLU   1          1HG       GLU   1 -21.725  -0.372   2.777
  237   2HG   GLU   1          2HG       GLU   1 -22.485   0.978   3.619
  238    H    VAL   2           H        VAL   2 -19.637   3.134   0.976
  239    HA   VAL   2           HA       VAL   2 -17.142   3.706   0.205
  240    HB   VAL   2           HB       VAL   2 -18.828   5.622   1.807
  241   1HG1  VAL   2          1HG1      VAL   2 -16.264   5.974   0.869
  242   2HG1  VAL   2          2HG1      VAL   2 -17.259   6.677  -0.407
  243   3HG1  VAL   2          3HG1      VAL   2 -17.412   7.257   1.252
  244   1HG2  VAL   2          1HG2      VAL   2 -18.952   4.711  -1.039
  245   2HG2  VAL   2          2HG2      VAL   2 -20.259   4.912   0.128
  246   3HG2  VAL   2          3HG2      VAL   2 -19.493   6.329  -0.589
  247    H    GLN   3           H        GLN   3 -17.975   5.074   3.338
  248    HA   GLN   3           HA       GLN   3 -15.353   5.270   4.241
  249   1HB   GLN   3          1HB       GLN   3 -18.037   5.491   5.468
  250   2HB   GLN   3          2HB       GLN   3 -16.701   5.206   6.574
  251   1HG   GLN   3          1HG       GLN   3 -15.646   7.206   6.006
  252   2HG   GLN   3          2HG       GLN   3 -16.589   7.387   4.528
  253   1HE2  GLN   3          2HE2      GLN   3 -16.161   9.106   6.959
  254   2HE2  GLN   3          1HE2      GLN   3 -17.755   9.531   7.471
  255    H    ALA   4           H        ALA   4 -17.728   2.700   4.692
  256    HA   ALA   4           HA       ALA   4 -16.426   1.203   6.639
  257   1HB   ALA   4          1HB       ALA   4 -18.739   0.918   5.322
  258   2HB   ALA   4          2HB       ALA   4 -17.783  -0.325   4.515
  259   3HB   ALA   4          3HB       ALA   4 -17.995  -0.374   6.264
  260    H    LEU   5           H        LEU   5 -15.691   1.546   3.254
  261    HA   LEU   5           HA       LEU   5 -13.624  -0.551   3.498
  262   1HB   LEU   5          1HB       LEU   5 -15.284   0.428   1.241
  263   2HB   LEU   5          2HB       LEU   5 -13.654  -0.067   0.868
  264    HG   LEU   5           HG       LEU   5 -15.376  -1.930   2.433
  265   1HD1  LEU   5          1HD1      LEU   5 -16.631  -0.956   0.393
  266   2HD1  LEU   5          2HD1      LEU   5 -15.500  -1.921  -0.555
  267   3HD1  LEU   5          3HD1      LEU   5 -16.571  -2.705   0.607
  268   1HD2  LEU   5          1HD2      LEU   5 -12.878  -2.185   1.733
  269   2HD2  LEU   5          2HD2      LEU   5 -13.974  -3.560   1.602
  270   3HD2  LEU   5          3HD2      LEU   5 -13.560  -2.623   0.167
  271    H    LYS   6           H        LYS   6 -14.323   2.618   2.171
  272    HA   LYS   6           HA       LYS   6 -11.937   3.508   1.246
  273   1HB   LYS   6          1HB       LYS   6 -13.887   4.870   1.083
  274   2HB   LYS   6          2HB       LYS   6 -14.088   4.895   2.825
  275   1HG   LYS   6          1HG       LYS   6 -13.143   6.918   2.707
  276   2HG   LYS   6          2HG       LYS   6 -11.622   6.043   2.529
  277   1HD   LYS   6          1HD       LYS   6 -11.398   7.206   0.626
  278   2HD   LYS   6          2HD       LYS   6 -12.571   6.065  -0.034
  279   1HE   LYS   6          1HE       LYS   6 -14.298   7.763   0.997
  280   2HE   LYS   6          2HE       LYS   6 -12.946   8.884   0.847
  281   1HZ   LYS   6          1HZ       LYS   6 -13.874   7.219  -1.417
  282   2HZ   LYS   6          2HZ       LYS   6 -14.520   8.751  -1.100
  283   3HZ   LYS   6          3HZ       LYS   6 -12.876   8.585  -1.465
  284    H    LYS   7           H        LYS   7 -12.940   3.193   4.592
  285    HA   LYS   7           HA       LYS   7 -10.554   4.432   5.633
  286   1HB   LYS   7          1HB       LYS   7 -12.825   2.934   6.940
  287   2HB   LYS   7          2HB       LYS   7 -11.477   3.624   7.834
  288   1HG   LYS   7          1HG       LYS   7 -12.158   5.788   7.460
  289   2HG   LYS   7          2HG       LYS   7 -13.064   5.362   6.005
  290   1HD   LYS   7          1HD       LYS   7 -14.721   5.798   7.595
  291   2HD   LYS   7          2HD       LYS   7 -14.594   4.038   7.584
  292   1HE   LYS   7          1HE       LYS   7 -14.260   4.113   9.779
  293   2HE   LYS   7          2HE       LYS   7 -12.720   4.910   9.467
  294   1HZ   LYS   7          1HZ       LYS   7 -15.062   6.626   9.414
  295   2HZ   LYS   7          2HZ       LYS   7 -14.665   5.984  10.928
  296   3HZ   LYS   7          3HZ       LYS   7 -13.529   6.904  10.075
  297    H    ARG   8           H        ARG   8 -11.810   1.181   5.155
  298    HA   ARG   8           HA       ARG   8  -9.745  -0.154   6.559
  299   1HB   ARG   8          1HB       ARG   8 -10.911  -2.026   6.106
  300   2HB   ARG   8          2HB       ARG   8 -12.148  -0.909   5.566
  301   1HG   ARG   8          1HG       ARG   8 -12.094  -1.759   3.521
  302   2HG   ARG   8          2HG       ARG   8 -10.358  -1.478   3.394
  303   1HD   ARG   8          1HD       ARG   8 -10.059  -3.681   3.452
  304   2HD   ARG   8          2HD       ARG   8 -10.627  -3.661   5.120
  305    HE   ARG   8           HE       ARG   8 -12.679  -3.792   3.074
  306   1HH1  ARG   8          1HH1      ARG   8 -10.663  -5.559   5.313
  307   2HH1  ARG   8          2HH1      ARG   8 -11.704  -6.940   5.351
  308   1HH2  ARG   8          1HH2      ARG   8 -14.047  -5.610   3.127
  309   2HH2  ARG   8          2HH2      ARG   8 -13.623  -6.971   4.111
  310    H    VAL   9           H        VAL   9 -10.065   1.018   3.286
  311    HA   VAL   9           HA       VAL   9  -7.968  -0.396   2.058
  312    HB   VAL   9           HB       VAL   9  -9.159   2.337   1.534
  313   1HG1  VAL   9          1HG1      VAL   9  -6.637   1.915   0.760
  314   2HG1  VAL   9          2HG1      VAL   9  -7.468   1.122  -0.576
  315   3HG1  VAL   9          3HG1      VAL   9  -7.793   2.815  -0.215
  316   1HG2  VAL   9          1HG2      VAL   9  -9.385  -0.337   0.177
  317   2HG2  VAL   9          2HG2      VAL   9 -10.649   0.572   1.007
  318   3HG2  VAL   9          3HG2      VAL   9  -9.994   1.164  -0.520
  319    H    GLN  10           H        GLN  10  -8.016   2.505   4.045
  320    HA   GLN  10           HA       GLN  10  -5.410   3.384   3.641
  321   1HB   GLN  10          1HB       GLN  10  -6.958   3.476   6.237
  322   2HB   GLN  10          2HB       GLN  10  -5.607   4.509   5.790
  323   1HG   GLN  10          1HG       GLN  10  -7.949   4.494   3.983
  324   2HG   GLN  10          2HG       GLN  10  -8.142   5.265   5.557
  325   1HE2  GLN  10          2HE2      GLN  10  -8.240   6.562   3.035
  326   2HE2  GLN  10          1HE2      GLN  10  -6.940   7.697   2.978
  327    H    ALA  11           H        ALA  11  -6.600   1.318   6.296
  328    HA   ALA  11           HA       ALA  11  -4.309   0.723   7.581
  329   1HB   ALA  11          1HB       ALA  11  -6.818  -0.270   7.684
  330   2HB   ALA  11          2HB       ALA  11  -5.937  -1.671   7.075
  331   3HB   ALA  11          3HB       ALA  11  -5.456  -0.923   8.598
  332    H    LEU  12           H        LEU  12  -5.166  -0.432   4.396
  333    HA   LEU  12           HA       LEU  12  -2.840  -2.208   4.366
  334   1HB   LEU  12          1HB       LEU  12  -4.492  -1.841   1.924
  335   2HB   LEU  12          2HB       LEU  12  -3.770  -3.274   2.567
  336    HG   LEU  12           HG       LEU  12  -6.185  -2.015   3.835
  337   1HD1  LEU  12          1HD1      LEU  12  -5.974  -3.676   1.416
  338   2HD1  LEU  12          2HD1      LEU  12  -7.167  -4.202   2.603
  339   3HD1  LEU  12          3HD1      LEU  12  -7.248  -2.573   1.933
  340   1HD2  LEU  12          1HD2      LEU  12  -4.676  -4.561   4.164
  341   2HD2  LEU  12          2HD2      LEU  12  -5.331  -3.471   5.386
  342   3HD2  LEU  12          3HD2      LEU  12  -6.411  -4.532   4.483
  343    H    LYS  13           H        LYS  13  -4.135  -0.164   1.801
  344    HA   LYS  13           HA       LYS  13  -1.804   0.459   0.549
  345   1HB   LYS  13          1HB       LYS  13  -4.278   0.797  -0.011
  346   2HB   LYS  13          2HB       LYS  13  -4.078   2.345   0.668
  347   1HG   LYS  13          1HG       LYS  13  -3.789   2.561  -1.657
  348   2HG   LYS  13          2HG       LYS  13  -2.195   2.719  -0.909
  349   1HD   LYS  13          1HD       LYS  13  -1.459   0.791  -1.772
  350   2HD   LYS  13          2HD       LYS  13  -3.000  -0.015  -1.595
  351   1HE   LYS  13          1HE       LYS  13  -3.887   1.120  -3.532
  352   2HE   LYS  13          2HE       LYS  13  -2.399   2.049  -3.704
  353   1HZ   LYS  13          1HZ       LYS  13  -2.605  -0.902  -3.951
  354   2HZ   LYS  13          2HZ       LYS  13  -2.507   0.177  -5.248
  355   3HZ   LYS  13          3HZ       LYS  13  -1.206   0.021  -4.179
  356    H    ALA  14           H        ALA  14  -3.366   2.161   3.254
  357    HA   ALA  14           HA       ALA  14  -2.092   4.543   2.994
  358   1HB   ALA  14          1HB       ALA  14  -3.778   3.996   4.763
  359   2HB   ALA  14          2HB       ALA  14  -2.480   3.231   5.681
  360   3HB   ALA  14          3HB       ALA  14  -2.415   4.958   5.330
  361    H    ARG  15           H        ARG  15  -0.825   1.512   4.064
  362    HA   ARG  15           HA       ARG  15   1.750   2.645   4.800
  363   1HB   ARG  15          1HB       ARG  15   0.586   0.718   6.041
  364   2HB   ARG  15          2HB       ARG  15   1.058  -0.284   4.677
  365   1HG   ARG  15          1HG       ARG  15   2.787  -0.662   6.125
  366   2HG   ARG  15          2HG       ARG  15   3.437   0.670   5.167
  367   1HD   ARG  15          1HD       ARG  15   3.025   2.236   6.866
  368   2HD   ARG  15          2HD       ARG  15   1.930   1.148   7.719
  369    HE   ARG  15           HE       ARG  15   3.737   0.176   8.741
  370   1HH1  ARG  15          1HH1      ARG  15   4.853   2.128   6.070
  371   2HH1  ARG  15          2HH1      ARG  15   6.525   1.974   6.495
  372   1HH2  ARG  15          1HH2      ARG  15   5.936  -0.027   9.300
  373   2HH2  ARG  15          2HH2      ARG  15   7.140   0.751   8.327
  374    H    ASN  16           H        ASN  16   0.174   0.942   2.176
  375    HA   ASN  16           HA       ASN  16   2.569   0.131   0.851
  376   1HB   ASN  16          1HB       ASN  16   0.585  -1.093   0.391
  377   2HB   ASN  16          2HB       ASN  16  -0.310   0.362   0.001
  378   1HD2  ASN  16          2HD2      ASN  16  -0.806  -1.075  -1.870
  379   2HD2  ASN  16          1HD2      ASN  16   0.231  -0.958  -3.244
  380    H    TYR  17           H        TYR  17   0.223   2.747   0.245
  381    HA   TYR  17           HA       TYR  17   1.352   3.915  -1.960
  382   1HB   TYR  17          1HB       TYR  17  -0.759   4.688  -1.044
  383   2HB   TYR  17          2HB       TYR  17   0.049   5.289   0.400
  384    HD1  TYR  17           HD1      TYR  17  -0.491   5.855  -3.197
  385    HD2  TYR  17           HD2      TYR  17   1.209   7.391   0.388
  386    HE1  TYR  17           HE1      TYR  17  -0.190   8.041  -4.282
  387    HE2  TYR  17           HE2      TYR  17   1.513   9.581  -0.687
  388    HH   TYR  17           HH       TYR  17   1.280  10.050  -4.004
  389    H    ALA  18           H        ALA  18   2.508   3.984   1.323
  390    HA   ALA  18           HA       ALA  18   4.344   6.151   0.929
  391   1HB   ALA  18          1HB       ALA  18   3.400   5.557   3.144
  392   2HB   ALA  18          2HB       ALA  18   4.352   4.071   3.113
  393   3HB   ALA  18          3HB       ALA  18   5.162   5.639   3.133
  394    H    LEU  19           H        LEU  19   4.695   2.607   1.184
  395    HA   LEU  19           HA       LEU  19   7.477   2.569   0.764
  396   1HB   LEU  19          1HB       LEU  19   5.855   0.310  -0.281
  397   2HB   LEU  19          2HB       LEU  19   7.330   0.285   0.660
  398    HG   LEU  19           HG       LEU  19   4.517   0.666   1.648
  399   1HD1  LEU  19          1HD1      LEU  19   5.672  -1.623   1.238
  400   2HD1  LEU  19          2HD1      LEU  19   6.545  -1.240   2.722
  401   3HD1  LEU  19          3HD1      LEU  19   4.785  -1.345   2.736
  402   1HD2  LEU  19          1HD2      LEU  19   7.072   1.536   2.851
  403   2HD2  LEU  19          2HD2      LEU  19   5.440   2.165   3.074
  404   3HD2  LEU  19          3HD2      LEU  19   5.942   0.698   3.913
  405    H    LYS  20           H        LYS  20   4.814   1.937  -1.508
  406    HA   LYS  20           HA       LYS  20   6.113   1.533  -3.850
  407   1HB   LYS  20          1HB       LYS  20   3.529   2.020  -3.161
  408   2HB   LYS  20          2HB       LYS  20   3.902   3.471  -4.082
  409   1HG   LYS  20          1HG       LYS  20   3.887   2.377  -6.029
  410   2HG   LYS  20          2HG       LYS  20   4.794   1.012  -5.377
  411   1HD   LYS  20          1HD       LYS  20   2.541   0.477  -4.160
  412   2HD   LYS  20          2HD       LYS  20   1.844   1.483  -5.431
  413   1HE   LYS  20          1HE       LYS  20   3.757  -0.475  -6.436
  414   2HE   LYS  20          2HE       LYS  20   2.384  -1.211  -5.611
  415   1HZ   LYS  20          1HZ       LYS  20   1.137   0.583  -7.117
  416   2HZ   LYS  20          2HZ       LYS  20   2.471   0.268  -8.109
  417   3HZ   LYS  20          3HZ       LYS  20   1.452  -0.996  -7.633
  418    H    GLN  21           H        GLN  21   5.889   4.543  -2.115
  419    HA   GLN  21           HA       GLN  21   6.928   6.104  -4.316
  420   1HB   GLN  21          1HB       GLN  21   5.275   7.089  -2.819
  421   2HB   GLN  21          2HB       GLN  21   6.345   6.842  -1.447
  422   1HG   GLN  21          1HG       GLN  21   7.994   8.316  -2.819
  423   2HG   GLN  21          2HG       GLN  21   6.533   8.823  -3.667
  424   1HE2  GLN  21          2HE2      GLN  21   5.007  10.049  -2.598
  425   2HE2  GLN  21          1HE2      GLN  21   5.313  10.799  -1.073
  426    H    LYS  22           H        LYS  22   8.080   4.863  -1.207
  427    HA   LYS  22           HA       LYS  22  10.697   6.053  -1.621
  428   1HB   LYS  22          1HB       LYS  22  11.220   5.185   0.607
  429   2HB   LYS  22          2HB       LYS  22   9.733   6.124   0.610
  430   1HG   LYS  22          1HG       LYS  22   8.610   4.421   1.459
  431   2HG   LYS  22          2HG       LYS  22   9.107   3.384   0.121
  432   1HD   LYS  22          1HD       LYS  22   9.855   2.328   2.109
  433   2HD   LYS  22          2HD       LYS  22  11.281   3.035   1.347
  434   1HE   LYS  22          1HE       LYS  22  11.570   3.668   3.541
  435   2HE   LYS  22          2HE       LYS  22  10.742   5.075   2.874
  436   1HZ   LYS  22          1HZ       LYS  22   8.641   4.117   3.715
  437   2HZ   LYS  22          2HZ       LYS  22   9.525   2.884   4.465
  438   3HZ   LYS  22          3HZ       LYS  22   9.737   4.490   4.947
  439    H    VAL  23           H        VAL  23   9.261   3.190  -2.623
  440    HA   VAL  23           HA       VAL  23  11.013   1.157  -2.104
  441    HB   VAL  23           HB       VAL  23   9.986   1.591  -4.903
  442   1HG1  VAL  23          1HG1      VAL  23  11.572  -0.314  -4.271
  443   2HG1  VAL  23          2HG1      VAL  23  10.208  -0.986  -3.379
  444   3HG1  VAL  23          3HG1      VAL  23  10.086  -0.739  -5.121
  445   1HG2  VAL  23          1HG2      VAL  23   8.496   0.842  -2.422
  446   2HG2  VAL  23          2HG2      VAL  23   8.029   1.929  -3.727
  447   3HG2  VAL  23          3HG2      VAL  23   8.008   0.186  -3.985
  448    H    GLN  24           H        GLN  24  11.293   3.271  -4.971
  449    HA   GLN  24           HA       GLN  24  13.862   2.363  -5.688
  450   1HB   GLN  24          1HB       GLN  24  12.817   5.102  -6.359
  451   2HB   GLN  24          2HB       GLN  24  13.869   4.067  -7.315
  452   1HG   GLN  24          1HG       GLN  24  11.878   2.469  -7.438
  453   2HG   GLN  24          2HG       GLN  24  10.918   3.833  -6.867
  454   1HE2  GLN  24          2HE2      GLN  24  13.573   3.444  -9.193
  455   2HE2  GLN  24          1HE2      GLN  24  12.768   4.235 -10.501
  456    H    ALA  25           H        ALA  25  12.764   5.055  -3.694
  457    HA   ALA  25           HA       ALA  25  15.163   6.426  -3.385
  458   1HB   ALA  25          1HB       ALA  25  12.652   6.759  -2.436
  459   2HB   ALA  25          2HB       ALA  25  13.491   6.253  -0.971
  460   3HB   ALA  25          3HB       ALA  25  14.056   7.663  -1.866
  461    H    LEU  26           H        LEU  26  14.075   3.442  -1.949
  462    HA   LEU  26           HA       LEU  26  16.087   3.377   0.098
  463   1HB   LEU  26          1HB       LEU  26  14.241   1.257  -0.997
  464   2HB   LEU  26          2HB       LEU  26  15.346   0.991   0.338
  465    HG   LEU  26           HG       LEU  26  13.003   2.887   0.291
  466   1HD1  LEU  26          1HD1      LEU  26  13.557   0.355   1.824
  467   2HD1  LEU  26          2HD1      LEU  26  12.195   1.435   2.121
  468   3HD1  LEU  26          3HD1      LEU  26  12.334   0.596   0.576
  469   1HD2  LEU  26          1HD2      LEU  26  15.327   2.648   2.122
  470   2HD2  LEU  26          2HD2      LEU  26  14.395   4.070   1.653
  471   3HD2  LEU  26          3HD2      LEU  26  13.739   2.936   2.834
  472    H    ARG  27           H        ARG  27  15.538   1.247  -2.716
  473    HA   ARG  27           HA       ARG  27  17.980  -0.043  -2.686
  474   1HB   ARG  27          1HB       ARG  27  17.591  -0.347  -5.186
  475   2HB   ARG  27          2HB       ARG  27  16.327  -0.924  -4.110
  476   1HG   ARG  27          1HG       ARG  27  15.534   1.646  -4.624
  477   2HG   ARG  27          2HG       ARG  27  16.250   1.148  -6.156
  478   1HD   ARG  27          1HD       ARG  27  14.801  -1.048  -5.555
  479   2HD   ARG  27          2HD       ARG  27  13.809   0.202  -4.803
  480    HE   ARG  27           HE       ARG  27  14.290   1.206  -7.264
  481   1HH1  ARG  27          1HH1      ARG  27  13.083  -1.875  -6.153
  482   2HH1  ARG  27          2HH1      ARG  27  12.108  -2.140  -7.559
  483   1HH2  ARG  27          1HH2      ARG  27  13.008   0.860  -9.112
  484   2HH2  ARG  27          2HH2      ARG  27  12.065  -0.587  -9.240
  485    H    HIS  28           H        HIS  28  17.231   3.173  -3.751
  486    HA   HIS  28           HA       HIS  28  19.615   3.536  -5.302
  487   1HB   HIS  28          1HB       HIS  28  17.323   5.204  -4.456
  488   2HB   HIS  28          2HB       HIS  28  18.831   6.067  -4.732
  489    HD1  HIS  28           HD1      HIS  28  19.958   4.956  -7.222
  490    HD2  HIS  28           HD2      HIS  28  15.859   5.355  -6.678
  491    HE1  HIS  28           HE1      HIS  28  18.935   4.997  -9.535
  492    H    LYS  29           H        LYS  29  18.540   4.753  -2.128
  493    HA   LYS  29           HA       LYS  29  21.207   5.692  -1.513
  494   1HB   LYS  29          1HB       LYS  29  18.591   6.306  -0.635
  495   2HB   LYS  29          2HB       LYS  29  19.460   5.702   0.769
  496   1HG   LYS  29          1HG       LYS  29  20.772   7.515   0.897
  497   2HG   LYS  29          2HG       LYS  29  20.947   7.640  -0.856
  498   1HD   LYS  29          1HD       LYS  29  18.426   8.393   0.608
  499   2HD   LYS  29          2HD       LYS  29  19.720   9.541   0.263
  500   1HE   LYS  29          1HE       LYS  29  19.143   8.168  -2.143
  501   2HE   LYS  29          2HE       LYS  29  17.604   8.654  -1.435
  502   1HZ   LYS  29          1HZ       LYS  29  18.969  10.893  -1.124
  503   2HZ   LYS  29          2HZ       LYS  29  19.759  10.298  -2.498
  504   3HZ   LYS  29          3HZ       LYS  29  18.086  10.552  -2.527
  505    H    GLY  30           H        GLY  30  22.707   4.657  -0.345
  506   1HA   GLY  30          1HA       GLY  30  22.133   2.736   1.661
  507   2HA   GLY  30          2HA       GLY  30  22.580   1.926   0.166
  508   1HN   NH2  31          1HN       NH2  31  23.781   2.820   3.004
  509   2HN   NH2  31          2HN       NH2  31  25.429   3.122   2.583
  Start of MODEL    7
    1   1H    ACE   0          1H        ACE   0 -20.374   6.261  -3.695
    2   2H    ACE   0          2H        ACE   0 -20.082   5.826  -2.011
    3   3H    ACE   0          3H        ACE   0 -21.687   6.355  -2.520
    4    H    GLU   1           H        GLU   1 -19.707   4.225  -4.462
    5    HA   GLU   1           HA       GLU   1 -21.753   2.169  -4.281
    6   1HB   GLU   1          1HB       GLU   1 -19.591   2.865  -6.177
    7   2HB   GLU   1          2HB       GLU   1 -19.938   1.149  -6.008
    8   1HG   GLU   1          1HG       GLU   1 -21.170   2.225  -7.850
    9   2HG   GLU   1          2HG       GLU   1 -22.222   1.485  -6.644
   10    H    VAL   2           H        VAL   2 -20.996  -0.133  -4.208
   11    HA   VAL   2           HA       VAL   2 -19.226  -0.447  -1.921
   12    HB   VAL   2           HB       VAL   2 -20.842  -2.564  -3.343
   13   1HG1  VAL   2          1HG1      VAL   2 -18.916  -3.300  -1.908
   14   2HG1  VAL   2          2HG1      VAL   2 -19.755  -2.577  -0.536
   15   3HG1  VAL   2          3HG1      VAL   2 -20.495  -3.914  -1.416
   16   1HG2  VAL   2          1HG2      VAL   2 -21.558  -0.630  -1.180
   17   2HG2  VAL   2          2HG2      VAL   2 -22.496  -1.142  -2.582
   18   3HG2  VAL   2          3HG2      VAL   2 -22.296  -2.232  -1.210
   19    H    ALA   3           H        ALA   3 -19.555  -1.788  -5.204
   20    HA   ALA   3           HA       ALA   3 -17.282  -3.391  -5.207
   21   1HB   ALA   3          1HB       ALA   3 -18.629  -1.940  -7.477
   22   2HB   ALA   3          2HB       ALA   3 -17.361  -3.147  -7.689
   23   3HB   ALA   3          3HB       ALA   3 -18.898  -3.603  -6.954
   24    H    GLN   4           H        GLN   4 -17.621   0.059  -5.735
   25    HA   GLN   4           HA       GLN   4 -15.026   0.505  -6.783
   26   1HB   GLN   4          1HB       GLN   4 -15.447   2.852  -6.367
   27   2HB   GLN   4          2HB       GLN   4 -16.896   2.106  -7.024
   28   1HG   GLN   4          1HG       GLN   4 -18.009   2.182  -4.975
   29   2HG   GLN   4          2HG       GLN   4 -16.516   2.443  -4.073
   30   1HE2  GLN   4          2HE2      GLN   4 -15.424   4.501  -4.387
   31   2HE2  GLN   4          1HE2      GLN   4 -16.368   5.911  -4.710
   32    H    LEU   5           H        LEU   5 -16.277   0.144  -3.560
   33    HA   LEU   5           HA       LEU   5 -13.863   1.173  -2.320
   34   1HB   LEU   5          1HB       LEU   5 -16.237  -0.191  -1.050
   35   2HB   LEU   5          2HB       LEU   5 -14.968   0.681  -0.210
   36    HG   LEU   5           HG       LEU   5 -16.864   1.962  -2.175
   37   1HD1  LEU   5          1HD1      LEU   5 -17.067   1.485   0.757
   38   2HD1  LEU   5          2HD1      LEU   5 -17.697   2.989   0.085
   39   3HD1  LEU   5          3HD1      LEU   5 -18.320   1.441  -0.484
   40   1HD2  LEU   5          1HD2      LEU   5 -14.935   3.119  -0.167
   41   2HD2  LEU   5          2HD2      LEU   5 -14.751   3.135  -1.921
   42   3HD2  LEU   5          3HD2      LEU   5 -16.058   4.044  -1.163
   43    H    GLU   6           H        GLU   6 -15.538  -1.941  -2.637
   44    HA   GLU   6           HA       GLU   6 -13.775  -3.506  -1.159
   45   1HB   GLU   6          1HB       GLU   6 -15.189  -4.461  -3.642
   46   2HB   GLU   6          2HB       GLU   6 -14.750  -5.396  -2.219
   47   1HG   GLU   6          1HG       GLU   6 -16.370  -3.405  -1.209
   48   2HG   GLU   6          2HG       GLU   6 -17.120  -3.812  -2.751
   49    H    LYS   7           H        LYS   7 -13.823  -3.060  -4.701
   50    HA   LYS   7           HA       LYS   7 -11.470  -4.478  -5.224
   51   1HB   LYS   7          1HB       LYS   7 -12.652  -2.166  -6.774
   52   2HB   LYS   7          2HB       LYS   7 -11.444  -3.291  -7.382
   53   1HG   LYS   7          1HG       LYS   7 -13.129  -5.126  -6.941
   54   2HG   LYS   7          2HG       LYS   7 -14.314  -3.842  -6.699
   55   1HD   LYS   7          1HD       LYS   7 -12.674  -4.291  -9.192
   56   2HD   LYS   7          2HD       LYS   7 -14.380  -4.694  -8.990
   57   1HE   LYS   7          1HE       LYS   7 -14.515  -2.656 -10.053
   58   2HE   LYS   7          2HE       LYS   7 -14.609  -2.174  -8.360
   59   1HZ   LYS   7          1HZ       LYS   7 -11.923  -2.318  -9.398
   60   2HZ   LYS   7          2HZ       LYS   7 -12.885  -1.154 -10.158
   61   3HZ   LYS   7          3HZ       LYS   7 -12.665  -1.107  -8.482
   62    H    GLU   8           H        GLU   8 -11.971  -1.219  -4.103
   63    HA   GLU   8           HA       GLU   8  -9.507  -0.092  -4.775
   64   1HB   GLU   8          1HB       GLU   8 -11.585   1.023  -3.775
   65   2HB   GLU   8          2HB       GLU   8 -10.947   0.533  -2.212
   66   1HG   GLU   8          1HG       GLU   8  -8.877   1.777  -2.708
   67   2HG   GLU   8          2HG       GLU   8  -9.598   2.321  -4.222
   68    H    VAL   9           H        VAL   9 -10.348  -2.411  -2.343
   69    HA   VAL   9           HA       VAL   9  -7.939  -2.035  -0.796
   70    HB   VAL   9           HB       VAL   9  -9.952  -4.289  -0.699
   71   1HG1  VAL   9          1HG1      VAL   9  -7.402  -4.139   0.430
   72   2HG1  VAL   9          2HG1      VAL   9  -8.516  -3.771   1.747
   73   3HG1  VAL   9          3HG1      VAL   9  -8.686  -5.275   0.841
   74   1HG2  VAL   9          1HG2      VAL   9 -10.549  -1.764  -0.139
   75   2HG2  VAL   9          2HG2      VAL   9 -11.186  -3.109   0.804
   76   3HG2  VAL   9          3HG2      VAL   9  -9.799  -2.197   1.398
   77    H    ALA  10           H        ALA  10  -9.234  -4.668  -2.832
   78    HA   ALA  10           HA       ALA  10  -6.985  -6.294  -2.844
   79   1HB   ALA  10          1HB       ALA  10  -9.168  -6.973  -3.737
   80   2HB   ALA  10          2HB       ALA  10  -8.941  -5.883  -5.105
   81   3HB   ALA  10          3HB       ALA  10  -7.868  -7.267  -4.892
   82    H    GLN  11           H        GLN  11  -7.582  -3.299  -4.471
   83    HA   GLN  11           HA       GLN  11  -5.622  -3.516  -6.504
   84   1HB   GLN  11          1HB       GLN  11  -7.440  -1.865  -6.585
   85   2HB   GLN  11          2HB       GLN  11  -6.771  -1.052  -5.177
   86   1HG   GLN  11          1HG       GLN  11  -4.935  -1.396  -7.452
   87   2HG   GLN  11          2HG       GLN  11  -6.295  -0.306  -7.711
   88   1HE2  GLN  11          2HE2      GLN  11  -6.660   1.151  -5.678
   89   2HE2  GLN  11          1HE2      GLN  11  -5.239   1.952  -5.108
   90    H    LEU  12           H        LEU  12  -5.579  -2.096  -3.246
   91    HA   LEU  12           HA       LEU  12  -2.765  -1.450  -3.465
   92   1HB   LEU  12          1HB       LEU  12  -4.525  -1.322  -1.018
   93   2HB   LEU  12          2HB       LEU  12  -2.971  -0.543  -1.243
   94    HG   LEU  12           HG       LEU  12  -5.377   0.124  -2.929
   95   1HD1  LEU  12          1HD1      LEU  12  -4.432   1.380  -0.361
   96   2HD1  LEU  12          2HD1      LEU  12  -5.571   2.135  -1.475
   97   3HD1  LEU  12          3HD1      LEU  12  -5.993   0.622  -0.672
   98   1HD2  LEU  12          1HD2      LEU  12  -2.679   1.372  -2.483
   99   2HD2  LEU  12          2HD2      LEU  12  -3.401   0.828  -3.997
  100   3HD2  LEU  12          3HD2      LEU  12  -4.030   2.261  -3.184
  101    H    GLU  13           H        GLU  13  -4.786  -3.767  -1.701
  102    HA   GLU  13           HA       GLU  13  -2.935  -4.941  -0.054
  103   1HB   GLU  13          1HB       GLU  13  -5.380  -5.904  -1.436
  104   2HB   GLU  13          2HB       GLU  13  -4.318  -7.130  -0.758
  105   1HG   GLU  13          1HG       GLU  13  -4.499  -6.136   1.432
  106   2HG   GLU  13          2HG       GLU  13  -5.462  -4.811   0.781
  107    H    ALA  14           H        ALA  14  -3.187  -5.195  -3.514
  108    HA   ALA  14           HA       ALA  14  -1.315  -7.409  -3.665
  109   1HB   ALA  14          1HB       ALA  14  -3.176  -7.284  -5.253
  110   2HB   ALA  14          2HB       ALA  14  -2.542  -5.759  -5.871
  111   3HB   ALA  14          3HB       ALA  14  -1.617  -7.245  -6.076
  112    H    GLU  15           H        GLU  15  -1.382  -3.934  -4.233
  113    HA   GLU  15           HA       GLU  15   1.317  -3.855  -5.241
  114   1HB   GLU  15          1HB       GLU  15  -0.696  -2.228  -5.702
  115   2HB   GLU  15          2HB       GLU  15  -0.126  -1.431  -4.242
  116   1HG   GLU  15          1HG       GLU  15   0.958  -0.272  -5.910
  117   2HG   GLU  15          2HG       GLU  15   2.175  -1.444  -5.406
  118    H    ASN  16           H        ASN  16  -0.281  -2.553  -2.328
  119    HA   ASN  16           HA       ASN  16   1.937  -1.655  -0.967
  120   1HB   ASN  16          1HB       ASN  16  -0.346  -1.250  -0.202
  121   2HB   ASN  16          2HB       ASN  16  -0.549  -2.957   0.169
  122   1HD2  ASN  16          2HD2      ASN  16  -1.146  -1.836   2.247
  123   2HD2  ASN  16          1HD2      ASN  16   0.122  -1.608   3.399
  124    H    TYR  17           H        TYR  17   0.561  -4.925  -0.961
  125    HA   TYR  17           HA       TYR  17   2.376  -6.029   0.896
  126   1HB   TYR  17          1HB       TYR  17   0.325  -7.187   0.448
  127   2HB   TYR  17          2HB       TYR  17   0.690  -7.289  -1.271
  128    HD1  TYR  17           HD1      TYR  17   1.582  -8.590   2.065
  129    HD2  TYR  17           HD2      TYR  17   2.061  -9.038  -2.139
  130    HE1  TYR  17           HE1      TYR  17   2.611 -10.794   2.424
  131    HE2  TYR  17           HE2      TYR  17   3.090 -11.244  -1.792
  132    HH   TYR  17           HH       TYR  17   3.088 -13.026  -0.060
  133    H    GLN  18           H        GLN  18   2.407  -5.808  -2.631
  134    HA   GLN  18           HA       GLN  18   4.609  -7.413  -3.169
  135   1HB   GLN  18          1HB       GLN  18   3.040  -5.431  -4.566
  136   2HB   GLN  18          2HB       GLN  18   4.740  -5.283  -4.992
  137   1HG   GLN  18          1HG       GLN  18   3.822  -8.040  -4.979
  138   2HG   GLN  18          2HG       GLN  18   2.925  -7.021  -6.105
  139   1HE2  GLN  18          2HE2      GLN  18   4.213  -5.735  -7.619
  140   2HE2  GLN  18          1HE2      GLN  18   5.693  -6.397  -8.217
  141    H    LEU  19           H        LEU  19   4.461  -4.196  -1.849
  142    HA   LEU  19           HA       LEU  19   7.356  -3.868  -2.138
  143   1HB   LEU  19          1HB       LEU  19   5.300  -1.929  -1.090
  144   2HB   LEU  19          2HB       LEU  19   6.991  -1.576  -1.385
  145    HG   LEU  19           HG       LEU  19   5.104  -2.430  -3.573
  146   1HD1  LEU  19          1HD1      LEU  19   4.881  -0.078  -2.155
  147   2HD1  LEU  19          2HD1      LEU  19   5.865   0.373  -3.546
  148   3HD1  LEU  19          3HD1      LEU  19   4.285  -0.369  -3.789
  149   1HD2  LEU  19          1HD2      LEU  19   7.788  -2.416  -3.589
  150   2HD2  LEU  19          2HD2      LEU  19   6.807  -2.069  -5.013
  151   3HD2  LEU  19          3HD2      LEU  19   7.478  -0.745  -4.060
  152    H    GLU  20           H        GLU  20   4.830  -3.898   0.358
  153    HA   GLU  20           HA       GLU  20   6.331  -3.433   2.611
  154   1HB   GLU  20          1HB       GLU  20   3.758  -4.068   2.196
  155   2HB   GLU  20          2HB       GLU  20   4.329  -5.617   2.805
  156   1HG   GLU  20          1HG       GLU  20   5.067  -4.609   4.848
  157   2HG   GLU  20          2HG       GLU  20   4.711  -2.995   4.231
  158    H    GLN  21           H        GLN  21   6.278  -6.278   0.615
  159    HA   GLN  21           HA       GLN  21   7.683  -7.907   2.553
  160   1HB   GLN  21          1HB       GLN  21   6.016  -8.515   0.488
  161   2HB   GLN  21          2HB       GLN  21   7.584  -8.814  -0.249
  162   1HG   GLN  21          1HG       GLN  21   7.032 -10.872   0.626
  163   2HG   GLN  21          2HG       GLN  21   8.069 -10.187   1.878
  164   1HE2  GLN  21          2HE2      GLN  21   5.329 -11.867   1.395
  165   2HE2  GLN  21          1HE2      GLN  21   4.458 -11.453   2.828
  166    H    GLU  22           H        GLU  22   8.429  -5.895  -0.192
  167    HA   GLU  22           HA       GLU  22  11.152  -6.892  -0.377
  168   1HB   GLU  22          1HB       GLU  22   9.843  -6.224  -2.401
  169   2HB   GLU  22          2HB       GLU  22   9.885  -4.563  -1.826
  170   1HG   GLU  22          1HG       GLU  22  11.810  -4.280  -2.866
  171   2HG   GLU  22          2HG       GLU  22  12.541  -5.481  -1.803
  172    H    VAL  23           H        VAL  23   9.401  -4.191   0.955
  173    HA   VAL  23           HA       VAL  23  11.698  -2.557   1.451
  174    HB   VAL  23           HB       VAL  23   9.054  -2.357   2.883
  175   1HG1  VAL  23          1HG1      VAL  23  11.466  -0.811   2.852
  176   2HG1  VAL  23          2HG1      VAL  23  10.129   0.159   2.236
  177   3HG1  VAL  23          3HG1      VAL  23  10.013  -0.593   3.826
  178   1HG2  VAL  23          1HG2      VAL  23   9.514  -2.148   0.073
  179   2HG2  VAL  23          2HG2      VAL  23   8.020  -1.890   0.973
  180   3HG2  VAL  23          3HG2      VAL  23   9.132  -0.547   0.709
  181    H    ALA  24           H        ALA  24   9.870  -4.950   3.251
  182    HA   ALA  24           HA       ALA  24  10.814  -4.499   5.822
  183   1HB   ALA  24          1HB       ALA  24   9.004  -6.073   5.226
  184   2HB   ALA  24          2HB       ALA  24  10.215  -7.185   4.586
  185   3HB   ALA  24          3HB       ALA  24  10.205  -6.783   6.304
  186    H    GLN  25           H        GLN  25  12.464  -5.792   3.071
  187    HA   GLN  25           HA       GLN  25  14.712  -6.621   4.779
  188   1HB   GLN  25          1HB       GLN  25  14.040  -7.401   1.938
  189   2HB   GLN  25          2HB       GLN  25  15.491  -7.903   2.795
  190   1HG   GLN  25          1HG       GLN  25  14.330  -9.306   4.213
  191   2HG   GLN  25          2HG       GLN  25  12.801  -8.467   3.957
  192   1HE2  GLN  25          2HE2      GLN  25  12.325  -8.443   1.410
  193   2HE2  GLN  25          1HE2      GLN  25  12.326 -10.024   0.711
  194    H    LEU  26           H        LEU  26  13.818  -4.704   1.955
  195    HA   LEU  26           HA       LEU  26  16.377  -3.887   1.179
  196   1HB   LEU  26          1HB       LEU  26  13.644  -2.702   0.874
  197   2HB   LEU  26          2HB       LEU  26  15.052  -1.798   0.355
  198    HG   LEU  26           HG       LEU  26  14.187  -4.497  -0.679
  199   1HD1  LEU  26          1HD1      LEU  26  12.867  -2.528  -1.436
  200   2HD1  LEU  26          2HD1      LEU  26  14.353  -1.845  -2.096
  201   3HD1  LEU  26          3HD1      LEU  26  13.721  -3.364  -2.733
  202   1HD2  LEU  26          1HD2      LEU  26  16.713  -2.973  -0.927
  203   2HD2  LEU  26          2HD2      LEU  26  16.427  -4.714  -0.964
  204   3HD2  LEU  26          3HD2      LEU  26  16.084  -3.735  -2.389
  205    H    GLU  27           H        GLU  27  14.093  -2.397   3.458
  206    HA   GLU  27           HA       GLU  27  16.024  -0.343   4.150
  207   1HB   GLU  27          1HB       GLU  27  14.290   0.581   5.553
  208   2HB   GLU  27          2HB       GLU  27  13.603   0.175   3.986
  209   1HG   GLU  27          1HG       GLU  27  12.042  -1.014   4.994
  210   2HG   GLU  27          2HG       GLU  27  13.284  -2.091   5.630
  211    H    HIS  28           H        HIS  28  17.342  -2.489   4.734
  212    HA   HIS  28           HA       HIS  28  16.820  -3.411   7.431
  213   1HB   HIS  28          1HB       HIS  28  17.835  -4.732   5.379
  214   2HB   HIS  28          2HB       HIS  28  19.348  -4.054   5.971
  215    HD1  HIS  28           HD1      HIS  28  17.017  -6.815   6.538
  216    HD2  HIS  28           HD2      HIS  28  19.928  -4.802   8.713
  217    HE1  HIS  28           HE1      HIS  28  17.585  -8.299   8.505
  218    H    GLU  29           H        GLU  29  19.750  -2.098   5.875
  219    HA   GLU  29           HA       GLU  29  20.776  -1.192   8.403
  220   1HB   GLU  29          1HB       GLU  29  21.949  -1.928   6.060
  221   2HB   GLU  29          2HB       GLU  29  22.031  -0.177   5.933
  222   1HG   GLU  29          1HG       GLU  29  24.047  -0.826   6.924
  223   2HG   GLU  29          2HG       GLU  29  23.063  -0.196   8.244
  224    H    GLY  30           H        GLY  30  19.252   0.317   9.139
  225   1HA   GLY  30          1HA       GLY  30  19.568   2.960   7.935
  226   2HA   GLY  30          2HA       GLY  30  17.930   2.335   8.061
  227   1HN   NH2  31          1HN       NH2  31  17.906   1.143  10.488
  228   2HN   NH2  31          2HN       NH2  31  18.183   2.304  11.735
  229   1H    ACE   0          1H        ACE   0 -15.655  -5.064   4.731
  230   2H    ACE   0          2H        ACE   0 -15.836  -6.178   3.375
  231   3H    ACE   0          3H        ACE   0 -16.864  -6.347   4.799
  232    H    GLU   1           H        GLU   1 -17.874  -3.982   5.319
  233    HA   GLU   1           HA       GLU   1 -19.532  -3.420   3.013
  234   1HB   GLU   1          1HB       GLU   1 -19.796  -2.003   5.639
  235   2HB   GLU   1          2HB       GLU   1 -21.047  -2.417   4.476
  236   1HG   GLU   1          1HG       GLU   1 -21.529  -3.989   6.011
  237   2HG   GLU   1          2HG       GLU   1 -20.273  -4.880   5.153
  238    H    VAL   2           H        VAL   2 -20.255  -0.807   3.384
  239    HA   VAL   2           HA       VAL   2 -18.525   0.628   1.861
  240    HB   VAL   2           HB       VAL   2 -20.281   1.763   4.037
  241   1HG1  VAL   2          1HG1      VAL   2 -18.951   3.046   1.661
  242   2HG1  VAL   2          2HG1      VAL   2 -20.293   3.783   2.535
  243   3HG1  VAL   2          3HG1      VAL   2 -18.769   3.468   3.364
  244   1HG2  VAL   2          1HG2      VAL   2 -20.794   0.856   1.242
  245   2HG2  VAL   2          2HG2      VAL   2 -21.761   0.619   2.697
  246   3HG2  VAL   2          3HG2      VAL   2 -21.729   2.195   1.907
  247    H    GLN   3           H        GLN   3 -18.792   1.958   5.086
  248    HA   GLN   3           HA       GLN   3 -16.204   2.938   5.188
  249   1HB   GLN   3          1HB       GLN   3 -18.332   2.434   7.209
  250   2HB   GLN   3          2HB       GLN   3 -16.709   2.769   7.796
  251   1HG   GLN   3          1HG       GLN   3 -16.682   4.905   6.820
  252   2HG   GLN   3          2HG       GLN   3 -18.094   4.554   5.823
  253   1HE2  GLN   3          2HE2      GLN   3 -16.981   5.879   8.708
  254   2HE2  GLN   3          1HE2      GLN   3 -18.506   6.121   9.482
  255    H    ALA   4           H        ALA   4 -17.494  -0.164   6.224
  256    HA   ALA   4           HA       ALA   4 -15.384  -1.113   7.750
  257   1HB   ALA   4          1HB       ALA   4 -17.628  -2.277   6.306
  258   2HB   ALA   4          2HB       ALA   4 -16.238  -3.358   6.417
  259   3HB   ALA   4          3HB       ALA   4 -16.957  -2.691   7.883
  260    H    LEU   5           H        LEU   5 -15.643  -0.755   4.291
  261    HA   LEU   5           HA       LEU   5 -12.973  -1.980   3.977
  262   1HB   LEU   5          1HB       LEU   5 -15.383  -1.891   2.249
  263   2HB   LEU   5          2HB       LEU   5 -13.830  -1.823   1.451
  264    HG   LEU   5           HG       LEU   5 -14.647  -4.017   3.356
  265   1HD1  LEU   5          1HD1      LEU   5 -15.860  -3.654   1.010
  266   2HD1  LEU   5          2HD1      LEU   5 -14.422  -4.506   0.446
  267   3HD1  LEU   5          3HD1      LEU   5 -15.475  -5.253   1.646
  268   1HD2  LEU   5          1HD2      LEU   5 -12.147  -3.301   2.592
  269   2HD2  LEU   5          2HD2      LEU   5 -12.628  -4.944   3.018
  270   3HD2  LEU   5          3HD2      LEU   5 -12.571  -4.452   1.325
  271    H    LYS   6           H        LYS   6 -15.073   0.653   3.101
  272    HA   LYS   6           HA       LYS   6 -13.413   2.178   1.495
  273   1HB   LYS   6          1HB       LYS   6 -15.731   2.686   1.615
  274   2HB   LYS   6          2HB       LYS   6 -15.668   2.850   3.358
  275   1HG   LYS   6          1HG       LYS   6 -14.998   4.999   3.262
  276   2HG   LYS   6          2HG       LYS   6 -13.958   4.720   1.864
  277   1HD   LYS   6          1HD       LYS   6 -15.513   5.847   0.711
  278   2HD   LYS   6          2HD       LYS   6 -16.463   4.363   0.813
  279   1HE   LYS   6          1HE       LYS   6 -17.739   5.162   2.599
  280   2HE   LYS   6          2HE       LYS   6 -16.570   6.426   2.986
  281   1HZ   LYS   6          1HZ       LYS   6 -17.757   6.573   0.340
  282   2HZ   LYS   6          2HZ       LYS   6 -18.817   6.857   1.627
  283   3HZ   LYS   6          3HZ       LYS   6 -17.426   7.806   1.450
  284    H    LYS   7           H        LYS   7 -13.624   1.972   4.994
  285    HA   LYS   7           HA       LYS   7 -11.722   4.143   5.326
  286   1HB   LYS   7          1HB       LYS   7 -12.917   2.369   7.449
  287   2HB   LYS   7          2HB       LYS   7 -12.110   3.908   7.687
  288   1HG   LYS   7          1HG       LYS   7 -14.864   3.333   6.750
  289   2HG   LYS   7          2HG       LYS   7 -14.287   4.547   7.886
  290   1HD   LYS   7          1HD       LYS   7 -14.036   4.612   4.882
  291   2HD   LYS   7          2HD       LYS   7 -15.080   5.626   5.877
  292   1HE   LYS   7          1HE       LYS   7 -12.466   5.916   6.892
  293   2HE   LYS   7          2HE       LYS   7 -12.343   6.030   5.137
  294   1HZ   LYS   7          1HZ       LYS   7 -14.289   7.647   5.341
  295   2HZ   LYS   7          2HZ       LYS   7 -13.902   7.724   6.986
  296   3HZ   LYS   7          3HZ       LYS   7 -12.763   8.193   5.825
  297    H    ARG   8           H        ARG   8 -11.654   0.734   5.018
  298    HA   ARG   8           HA       ARG   8  -9.174   0.450   6.490
  299   1HB   ARG   8          1HB       ARG   8  -9.465  -1.832   6.354
  300   2HB   ARG   8          2HB       ARG   8 -11.124  -1.260   6.345
  301   1HG   ARG   8          1HG       ARG   8 -11.249  -1.559   3.945
  302   2HG   ARG   8          2HG       ARG   8  -9.552  -2.041   3.898
  303   1HD   ARG   8          1HD       ARG   8 -10.685  -3.700   5.812
  304   2HD   ARG   8          2HD       ARG   8 -11.908  -3.600   4.548
  305    HE   ARG   8           HE       ARG   8 -10.533  -4.806   3.165
  306   1HH1  ARG   8          1HH1      ARG   8  -8.691  -3.675   5.904
  307   2HH1  ARG   8          2HH1      ARG   8  -7.297  -4.626   5.519
  308   1HH2  ARG   8          1HH2      ARG   8  -8.700  -6.061   2.659
  309   2HH2  ARG   8          2HH2      ARG   8  -7.301  -5.982   3.676
  310    H    VAL   9           H        VAL   9 -10.131   1.137   3.280
  311    HA   VAL   9           HA       VAL   9  -7.997  -0.020   1.850
  312    HB   VAL   9           HB       VAL   9  -9.567   2.483   1.206
  313   1HG1  VAL   9          1HG1      VAL   9  -7.259   1.981   0.038
  314   2HG1  VAL   9          2HG1      VAL   9  -8.224   0.825  -0.876
  315   3HG1  VAL   9          3HG1      VAL   9  -8.646   2.536  -0.895
  316   1HG2  VAL   9          1HG2      VAL   9 -10.399  -0.180   1.311
  317   2HG2  VAL   9          2HG2      VAL   9 -11.239   1.172   0.551
  318   3HG2  VAL   9          3HG2      VAL   9 -10.151   0.162  -0.401
  319    H    GLN  10           H        GLN  10  -8.389   3.233   3.233
  320    HA   GLN  10           HA       GLN  10  -6.047   4.407   2.414
  321   1HB   GLN  10          1HB       GLN  10  -6.170   5.714   4.580
  322   2HB   GLN  10          2HB       GLN  10  -7.618   5.740   3.584
  323   1HG   GLN  10          1HG       GLN  10  -8.656   4.073   5.007
  324   2HG   GLN  10          2HG       GLN  10  -7.192   3.977   5.986
  325   1HE2  GLN  10          2HE2      GLN  10  -6.473   6.485   6.427
  326   2HE2  GLN  10          1HE2      GLN  10  -7.709   7.368   7.250
  327    H    ALA  11           H        ALA  11  -6.512   2.036   4.952
  328    HA   ALA  11           HA       ALA  11  -3.995   2.294   6.195
  329   1HB   ALA  11          1HB       ALA  11  -6.082   0.165   6.120
  330   2HB   ALA  11          2HB       ALA  11  -4.509  -0.181   6.837
  331   3HB   ALA  11          3HB       ALA  11  -5.504   1.127   7.479
  332    H    LEU  12           H        LEU  12  -4.841   1.049   3.133
  333    HA   LEU  12           HA       LEU  12  -2.447  -0.629   2.994
  334   1HB   LEU  12          1HB       LEU  12  -4.253  -0.314   0.656
  335   2HB   LEU  12          2HB       LEU  12  -3.374  -1.724   1.202
  336    HG   LEU  12           HG       LEU  12  -5.663  -0.750   2.856
  337   1HD1  LEU  12          1HD1      LEU  12  -5.919  -2.324   0.300
  338   2HD1  LEU  12          2HD1      LEU  12  -7.191  -2.146   1.509
  339   3HD1  LEU  12          3HD1      LEU  12  -6.598  -0.732   0.636
  340   1HD2  LEU  12          1HD2      LEU  12  -4.186  -3.290   2.373
  341   2HD2  LEU  12          2HD2      LEU  12  -4.673  -2.537   3.892
  342   3HD2  LEU  12          3HD2      LEU  12  -5.869  -3.368   2.896
  343    H    LYS  13           H        LYS  13  -3.899   2.233   1.535
  344    HA   LYS  13           HA       LYS  13  -1.597   2.613  -0.196
  345   1HB   LYS  13          1HB       LYS  13  -2.870   4.649  -0.966
  346   2HB   LYS  13          2HB       LYS  13  -3.656   3.105  -1.254
  347   1HG   LYS  13          1HG       LYS  13  -5.382   4.434  -0.494
  348   2HG   LYS  13          2HG       LYS  13  -4.890   3.579   0.966
  349   1HD   LYS  13          1HD       LYS  13  -4.266   5.469   1.984
  350   2HD   LYS  13          2HD       LYS  13  -3.402   6.043   0.558
  351   1HE   LYS  13          1HE       LYS  13  -6.082   6.246  -0.135
  352   2HE   LYS  13          2HE       LYS  13  -6.028   6.762   1.550
  353   1HZ   LYS  13          1HZ       LYS  13  -4.249   7.841  -0.565
  354   2HZ   LYS  13          2HZ       LYS  13  -5.694   8.576  -0.084
  355   3HZ   LYS  13          3HZ       LYS  13  -4.420   8.415   1.017
  356    H    ALA  14           H        ALA  14  -3.022   4.086   2.676
  357    HA   ALA  14           HA       ALA  14  -1.610   6.452   2.813
  358   1HB   ALA  14          1HB       ALA  14  -2.407   4.615   5.066
  359   2HB   ALA  14          2HB       ALA  14  -1.833   6.268   5.281
  360   3HB   ALA  14          3HB       ALA  14  -3.336   5.963   4.409
  361    H    ARG  15           H        ARG  15  -0.560   3.218   3.775
  362    HA   ARG  15           HA       ARG  15   2.056   4.222   4.558
  363   1HB   ARG  15          1HB       ARG  15   0.583   2.227   5.584
  364   2HB   ARG  15          2HB       ARG  15   1.520   1.305   4.418
  365   1HG   ARG  15          1HG       ARG  15   2.738   1.169   6.402
  366   2HG   ARG  15          2HG       ARG  15   3.576   2.397   5.450
  367   1HD   ARG  15          1HD       ARG  15   3.306   3.867   7.089
  368   2HD   ARG  15          2HD       ARG  15   1.555   3.687   6.977
  369    HE   ARG  15           HE       ARG  15   2.740   1.565   8.463
  370   1HH1  ARG  15          1HH1      ARG  15   1.743   4.904   8.681
  371   2HH1  ARG  15          2HH1      ARG  15   1.492   4.847  10.394
  372   1HH2  ARG  15          1HH2      ARG  15   2.411   1.490  10.716
  373   2HH2  ARG  15          2HH2      ARG  15   1.871   2.910  11.549
  374    H    ASN  16           H        ASN  16   0.633   2.064   2.132
  375    HA   ASN  16           HA       ASN  16   2.951   1.262   0.832
  376   1HB   ASN  16          1HB       ASN  16   0.797   0.251   0.353
  377   2HB   ASN  16          2HB       ASN  16   0.199   1.764  -0.314
  378   1HD2  ASN  16          2HD2      ASN  16  -0.165   1.214  -2.373
  379   2HD2  ASN  16          1HD2      ASN  16   1.033   0.613  -3.461
  380    H    TYR  17           H        TYR  17   0.933   4.125   0.231
  381    HA   TYR  17           HA       TYR  17   2.196   5.118  -2.012
  382   1HB   TYR  17          1HB       TYR  17   0.195   6.174  -1.232
  383   2HB   TYR  17          2HB       TYR  17   0.935   6.580   0.311
  384    HD1  TYR  17           HD1      TYR  17   1.359   7.223  -3.344
  385    HD2  TYR  17           HD2      TYR  17   1.782   8.714   0.619
  386    HE1  TYR  17           HE1      TYR  17   2.036   9.408  -4.245
  387    HE2  TYR  17           HE2      TYR  17   2.458  10.904  -0.272
  388    HH   TYR  17           HH       TYR  17   2.130  11.724  -3.582
  389    H    ALA  18           H        ALA  18   3.201   5.284   1.346
  390    HA   ALA  18           HA       ALA  18   5.342   7.128   0.881
  391   1HB   ALA  18          1HB       ALA  18   4.104   5.893   3.142
  392   2HB   ALA  18          2HB       ALA  18   5.850   5.670   3.242
  393   3HB   ALA  18          3HB       ALA  18   5.176   7.292   3.089
  394    H    LEU  19           H        LEU  19   5.100   3.603   1.228
  395    HA   LEU  19           HA       LEU  19   7.877   3.109   1.120
  396   1HB   LEU  19          1HB       LEU  19   6.024   1.101  -0.045
  397   2HB   LEU  19          2HB       LEU  19   7.380   0.876   1.037
  398    HG   LEU  19           HG       LEU  19   4.612   1.805   1.779
  399   1HD1  LEU  19          1HD1      LEU  19   5.329  -0.694   1.373
  400   2HD1  LEU  19          2HD1      LEU  19   6.011  -0.520   2.990
  401   3HD1  LEU  19          3HD1      LEU  19   4.289  -0.247   2.725
  402   1HD2  LEU  19          1HD2      LEU  19   6.531   2.968   2.993
  403   2HD2  LEU  19          2HD2      LEU  19   5.327   2.150   3.987
  404   3HD2  LEU  19          3HD2      LEU  19   6.890   1.389   3.690
  405    H    LYS  20           H        LYS  20   5.393   2.757  -1.418
  406    HA   LYS  20           HA       LYS  20   6.866   2.096  -3.584
  407   1HB   LYS  20          1HB       LYS  20   4.324   2.972  -3.219
  408   2HB   LYS  20          2HB       LYS  20   5.006   4.324  -4.112
  409   1HG   LYS  20          1HG       LYS  20   5.380   3.063  -6.003
  410   2HG   LYS  20          2HG       LYS  20   5.419   1.543  -5.107
  411   1HD   LYS  20          1HD       LYS  20   2.998   1.757  -4.692
  412   2HD   LYS  20          2HD       LYS  20   2.982   3.238  -5.650
  413   1HE   LYS  20          1HE       LYS  20   4.233   1.025  -7.056
  414   2HE   LYS  20          2HE       LYS  20   2.573   0.664  -6.585
  415   1HZ   LYS  20          1HZ       LYS  20   1.895   2.756  -7.649
  416   2HZ   LYS  20          2HZ       LYS  20   3.486   3.003  -8.171
  417   3HZ   LYS  20          3HZ       LYS  20   2.602   1.680  -8.746
  418    H    GLN  21           H        GLN  21   6.892   5.194  -1.977
  419    HA   GLN  21           HA       GLN  21   8.373   6.497  -4.080
  420   1HB   GLN  21          1HB       GLN  21   6.825   7.824  -2.799
  421   2HB   GLN  21          2HB       GLN  21   7.614   7.376  -1.294
  422   1HG   GLN  21          1HG       GLN  21   8.906   9.159  -1.459
  423   2HG   GLN  21          2HG       GLN  21   9.590   8.517  -2.952
  424   1HE2  GLN  21          2HE2      GLN  21   6.659  10.167  -1.816
  425   2HE2  GLN  21          1HE2      GLN  21   6.535  11.241  -3.164
  426    H    LYS  22           H        LYS  22   9.073   5.190  -0.859
  427    HA   LYS  22           HA       LYS  22  11.877   5.913  -1.107
  428   1HB   LYS  22          1HB       LYS  22  12.078   4.976   1.174
  429   2HB   LYS  22          2HB       LYS  22  10.857   6.237   1.052
  430   1HG   LYS  22          1HG       LYS  22   9.322   4.870   1.865
  431   2HG   LYS  22          2HG       LYS  22   9.623   3.718   0.563
  432   1HD   LYS  22          1HD       LYS  22   9.936   2.668   2.740
  433   2HD   LYS  22          2HD       LYS  22  11.459   2.741   1.853
  434   1HE   LYS  22          1HE       LYS  22  12.088   3.423   3.971
  435   2HE   LYS  22          2HE       LYS  22  11.819   4.957   3.145
  436   1HZ   LYS  22          1HZ       LYS  22   9.399   4.524   4.128
  437   2HZ   LYS  22          2HZ       LYS  22  10.311   3.723   5.305
  438   3HZ   LYS  22          3HZ       LYS  22  10.598   5.358   4.981
  439    H    VAL  23           H        VAL  23   9.892   3.150  -1.667
  440    HA   VAL  23           HA       VAL  23  11.472   0.992  -1.157
  441    HB   VAL  23           HB       VAL  23   9.794   1.421  -3.633
  442   1HG1  VAL  23          1HG1      VAL  23  11.363  -0.895  -2.672
  443   2HG1  VAL  23          2HG1      VAL  23   9.735  -1.234  -3.260
  444   3HG1  VAL  23          3HG1      VAL  23  10.904  -0.435  -4.312
  445   1HG2  VAL  23          1HG2      VAL  23   9.076   1.151  -0.926
  446   2HG2  VAL  23          2HG2      VAL  23   8.016   1.109  -2.335
  447   3HG2  VAL  23          3HG2      VAL  23   8.696  -0.388  -1.698
  448    H    GLN  24           H        GLN  24  11.510   2.780  -4.251
  449    HA   GLN  24           HA       GLN  24  13.701   1.447  -5.359
  450   1HB   GLN  24          1HB       GLN  24  13.888   3.396  -6.870
  451   2HB   GLN  24          2HB       GLN  24  12.236   2.809  -6.722
  452   1HG   GLN  24          1HG       GLN  24  11.508   4.691  -5.714
  453   2HG   GLN  24          2HG       GLN  24  13.030   4.959  -4.866
  454   1HE2  GLN  24          2HE2      GLN  24  14.897   5.356  -6.545
  455   2HE2  GLN  24          1HE2      GLN  24  14.547   6.581  -7.713
  456    H    ALA  25           H        ALA  25  13.533   4.074  -3.074
  457    HA   ALA  25           HA       ALA  25  16.232   4.934  -3.330
  458   1HB   ALA  25          1HB       ALA  25  13.979   5.470  -1.508
  459   2HB   ALA  25          2HB       ALA  25  15.590   5.718  -0.835
  460   3HB   ALA  25          3HB       ALA  25  15.099   6.585  -2.291
  461    H    LEU  26           H        LEU  26  14.617   2.469  -1.439
  462    HA   LEU  26           HA       LEU  26  16.803   1.973   0.330
  463   1HB   LEU  26          1HB       LEU  26  14.516   0.143  -0.398
  464   2HB   LEU  26          2HB       LEU  26  15.568  -0.013   0.994
  465    HG   LEU  26           HG       LEU  26  13.818   2.399   0.589
  466   1HD1  LEU  26          1HD1      LEU  26  13.108  -0.317   1.500
  467   2HD1  LEU  26          2HD1      LEU  26  12.514   1.023   2.481
  468   3HD1  LEU  26          3HD1      LEU  26  12.107   0.936   0.767
  469   1HD2  LEU  26          1HD2      LEU  26  15.564   1.328   2.730
  470   2HD2  LEU  26          2HD2      LEU  26  15.247   2.996   2.252
  471   3HD2  LEU  26          3HD2      LEU  26  14.066   2.118   3.223
  472    H    ARG  27           H        ARG  27  15.448  -0.003  -2.319
  473    HA   ARG  27           HA       ARG  27  17.450  -1.906  -2.432
  474   1HB   ARG  27          1HB       ARG  27  16.761  -2.152  -4.869
  475   2HB   ARG  27          2HB       ARG  27  15.489  -2.332  -3.669
  476   1HG   ARG  27          1HG       ARG  27  15.371   0.340  -4.237
  477   2HG   ARG  27          2HG       ARG  27  15.803  -0.361  -5.797
  478   1HD   ARG  27          1HD       ARG  27  13.855  -2.068  -4.900
  479   2HD   ARG  27          2HD       ARG  27  13.298  -0.508  -4.298
  480    HE   ARG  27           HE       ARG  27  13.979  -0.077  -6.923
  481   1HH1  ARG  27          1HH1      ARG  27  11.762  -2.165  -5.219
  482   2HH1  ARG  27          2HH1      ARG  27  10.620  -2.222  -6.519
  483   1HH2  ARG  27          1HH2      ARG  27  12.479  -0.152  -8.636
  484   2HH2  ARG  27          2HH2      ARG  27  11.027  -1.080  -8.459
  485    H    HIS  28           H        HIS  28  17.356   1.299  -3.884
  486    HA   HIS  28           HA       HIS  28  19.566   1.041  -5.590
  487   1HB   HIS  28          1HB       HIS  28  17.886   2.942  -5.521
  488   2HB   HIS  28          2HB       HIS  28  18.785   3.575  -4.145
  489    HD1  HIS  28           HD1      HIS  28  20.933   2.075  -6.730
  490    HD2  HIS  28           HD2      HIS  28  19.296   5.799  -5.886
  491    HE1  HIS  28           HE1      HIS  28  22.216   3.748  -8.127
  492    H    LYS  29           H        LYS  29  19.421   2.441  -2.312
  493    HA   LYS  29           HA       LYS  29  22.324   2.344  -2.130
  494   1HB   LYS  29          1HB       LYS  29  20.894   4.293  -1.316
  495   2HB   LYS  29          2HB       LYS  29  20.408   3.251   0.014
  496   1HG   LYS  29          1HG       LYS  29  22.199   3.910   1.129
  497   2HG   LYS  29          2HG       LYS  29  23.209   3.125  -0.086
  498   1HD   LYS  29          1HD       LYS  29  22.993   5.251  -1.445
  499   2HD   LYS  29          2HD       LYS  29  22.287   5.990  -0.006
  500   1HE   LYS  29          1HE       LYS  29  24.445   5.016   1.144
  501   2HE   LYS  29          2HE       LYS  29  25.077   5.070  -0.501
  502   1HZ   LYS  29          1HZ       LYS  29  24.004   7.493  -0.309
  503   2HZ   LYS  29          2HZ       LYS  29  24.435   7.246   1.309
  504   3HZ   LYS  29          3HZ       LYS  29  25.611   7.157   0.097
  505    H    GLY  30           H        GLY  30  21.512  -0.180  -2.362
  506   1HA   GLY  30          1HA       GLY  30  21.720  -2.243  -1.375
  507   2HA   GLY  30          2HA       GLY  30  22.478  -1.420  -0.021
  508   1HN   NH2  31          1HN       NH2  31  19.954  -3.323  -0.886
  509   2HN   NH2  31          2HN       NH2  31  18.857  -2.963   0.399
  Start of MODEL    8
    1   1H    ACE   0          1H        ACE   0 -22.242   0.087  -5.935
    2   2H    ACE   0          2H        ACE   0 -23.795   0.694  -5.358
    3   3H    ACE   0          3H        ACE   0 -23.743  -0.629  -6.522
    4    H    GLU   1           H        GLU   1 -22.543  -2.616  -5.752
    5    HA   GLU   1           HA       GLU   1 -23.471  -3.277  -3.078
    6   1HB   GLU   1          1HB       GLU   1 -23.021  -5.584  -3.694
    7   2HB   GLU   1          2HB       GLU   1 -23.969  -4.800  -4.949
    8   1HG   GLU   1          1HG       GLU   1 -21.988  -4.529  -6.316
    9   2HG   GLU   1          2HG       GLU   1 -20.993  -5.237  -5.044
   10    H    VAL   2           H        VAL   2 -22.097  -4.536  -1.648
   11    HA   VAL   2           HA       VAL   2 -19.833  -3.246  -0.818
   12    HB   VAL   2           HB       VAL   2 -20.384  -6.199  -0.531
   13   1HG1  VAL   2          1HG1      VAL   2 -18.304  -4.440   0.532
   14   2HG1  VAL   2          2HG1      VAL   2 -19.154  -5.364   1.772
   15   3HG1  VAL   2          3HG1      VAL   2 -18.362  -6.200   0.437
   16   1HG2  VAL   2          1HG2      VAL   2 -21.561  -3.802   0.722
   17   2HG2  VAL   2          2HG2      VAL   2 -22.249  -5.406   0.467
   18   3HG2  VAL   2          3HG2      VAL   2 -21.148  -5.123   1.816
   19    H    ALA   3           H        ALA   3 -19.990  -6.108  -2.915
   20    HA   ALA   3           HA       ALA   3 -17.329  -6.678  -3.228
   21   1HB   ALA   3          1HB       ALA   3 -19.746  -7.061  -4.860
   22   2HB   ALA   3          2HB       ALA   3 -18.212  -7.185  -5.722
   23   3HB   ALA   3          3HB       ALA   3 -18.531  -8.225  -4.333
   24    H    GLN   4           H        GLN   4 -19.100  -3.978  -4.527
   25    HA   GLN   4           HA       GLN   4 -17.276  -3.246  -6.561
   26   1HB   GLN   4          1HB       GLN   4 -19.231  -1.547  -5.003
   27   2HB   GLN   4          2HB       GLN   4 -18.392  -1.036  -6.460
   28   1HG   GLN   4          1HG       GLN   4 -20.014  -3.526  -6.546
   29   2HG   GLN   4          2HG       GLN   4 -20.838  -1.968  -6.552
   30   1HE2  GLN   4          2HE2      GLN   4 -19.755  -0.363  -8.134
   31   2HE2  GLN   4          1HE2      GLN   4 -19.437  -0.990  -9.712
   32    H    LEU   5           H        LEU   5 -17.303  -2.804  -3.122
   33    HA   LEU   5           HA       LEU   5 -15.030  -0.950  -3.297
   34   1HB   LEU   5          1HB       LEU   5 -16.760  -1.654  -0.926
   35   2HB   LEU   5          2HB       LEU   5 -15.451  -0.489  -0.923
   36    HG   LEU   5           HG       LEU   5 -18.015  -0.254  -2.494
   37   1HD1  LEU   5          1HD1      LEU   5 -17.108   0.731   0.141
   38   2HD1  LEU   5          2HD1      LEU   5 -18.009   1.858  -0.873
   39   3HD1  LEU   5          3HD1      LEU   5 -18.725   0.311  -0.421
   40   1HD2  LEU   5          1HD2      LEU   5 -15.461   1.234  -2.551
   41   2HD2  LEU   5          2HD2      LEU   5 -16.653   0.972  -3.824
   42   3HD2  LEU   5          3HD2      LEU   5 -16.942   2.191  -2.583
   43    H    GLU   6           H        GLU   6 -16.057  -4.069  -2.066
   44    HA   GLU   6           HA       GLU   6 -14.023  -4.760  -0.366
   45   1HB   GLU   6          1HB       GLU   6 -15.611  -6.361  -2.344
   46   2HB   GLU   6          2HB       GLU   6 -14.342  -7.129  -1.401
   47   1HG   GLU   6          1HG       GLU   6 -16.379  -5.512   0.030
   48   2HG   GLU   6          2HG       GLU   6 -16.840  -7.097  -0.588
   49    H    LYS   7           H        LYS   7 -13.912  -4.428  -3.827
   50    HA   LYS   7           HA       LYS   7 -11.340  -5.710  -4.084
   51   1HB   LYS   7          1HB       LYS   7 -12.668  -3.970  -6.152
   52   2HB   LYS   7          2HB       LYS   7 -11.508  -5.267  -6.405
   53   1HG   LYS   7          1HG       LYS   7 -13.083  -6.921  -6.108
   54   2HG   LYS   7          2HG       LYS   7 -14.155  -5.879  -5.171
   55   1HD   LYS   7          1HD       LYS   7 -13.607  -5.653  -8.128
   56   2HD   LYS   7          2HD       LYS   7 -15.065  -6.329  -7.396
   57   1HE   LYS   7          1HE       LYS   7 -15.904  -4.263  -7.573
   58   2HE   LYS   7          2HE       LYS   7 -14.878  -3.874  -6.191
   59   1HZ   LYS   7          1HZ       LYS   7 -13.186  -3.607  -8.275
   60   2HZ   LYS   7          2HZ       LYS   7 -14.640  -3.058  -8.942
   61   3HZ   LYS   7          3HZ       LYS   7 -14.026  -2.333  -7.542
   62    H    GLU   8           H        GLU   8 -12.608  -2.461  -3.768
   63    HA   GLU   8           HA       GLU   8 -10.421  -0.965  -4.585
   64   1HB   GLU   8          1HB       GLU   8 -12.711  -0.144  -3.827
   65   2HB   GLU   8          2HB       GLU   8 -12.095  -0.253  -2.183
   66   1HG   GLU   8          1HG       GLU   8 -10.796   1.574  -2.406
   67   2HG   GLU   8          2HG       GLU   8 -10.416   1.232  -4.093
   68    H    VAL   9           H        VAL   9 -10.900  -2.873  -1.727
   69    HA   VAL   9           HA       VAL   9  -8.596  -1.795  -0.346
   70    HB   VAL   9           HB       VAL   9 -10.315  -4.203   0.291
   71   1HG1  VAL   9          1HG1      VAL   9  -7.998  -4.307   1.213
   72   2HG1  VAL   9          2HG1      VAL   9  -8.331  -2.808   2.080
   73   3HG1  VAL   9          3HG1      VAL   9  -9.265  -4.261   2.439
   74   1HG2  VAL   9          1HG2      VAL   9 -11.509  -2.056   0.395
   75   2HG2  VAL   9          2HG2      VAL   9 -11.333  -2.798   1.985
   76   3HG2  VAL   9          3HG2      VAL   9 -10.295  -1.450   1.520
   77    H    ALA  10           H        ALA  10  -9.509  -4.807  -1.986
   78    HA   ALA  10           HA       ALA  10  -7.064  -6.151  -1.644
   79   1HB   ALA  10          1HB       ALA  10  -9.465  -6.853  -2.656
   80   2HB   ALA  10          2HB       ALA  10  -8.535  -6.677  -4.143
   81   3HB   ALA  10          3HB       ALA  10  -7.991  -7.791  -2.890
   82    H    GLN  11           H        GLN  11  -8.157  -3.752  -3.933
   83    HA   GLN  11           HA       GLN  11  -6.304  -3.983  -5.966
   84   1HB   GLN  11          1HB       GLN  11  -8.178  -2.414  -6.039
   85   2HB   GLN  11          2HB       GLN  11  -7.447  -1.456  -4.761
   86   1HG   GLN  11          1HG       GLN  11  -5.550  -1.744  -6.857
   87   2HG   GLN  11          2HG       GLN  11  -7.087  -1.240  -7.556
   88   1HE2  GLN  11          2HE2      GLN  11  -8.107   0.313  -5.538
   89   2HE2  GLN  11          1HE2      GLN  11  -7.114   1.711  -5.324
   90    H    LEU  12           H        LEU  12  -6.004  -1.717  -3.213
   91    HA   LEU  12           HA       LEU  12  -3.286  -1.153  -3.701
   92   1HB   LEU  12          1HB       LEU  12  -4.845  -0.890  -1.135
   93   2HB   LEU  12          2HB       LEU  12  -3.278  -0.172  -1.448
   94    HG   LEU  12           HG       LEU  12  -5.753   0.485  -3.039
   95   1HD1  LEU  12          1HD1      LEU  12  -5.942   1.095  -0.638
   96   2HD1  LEU  12          2HD1      LEU  12  -4.493   2.074  -0.822
   97   3HD1  LEU  12          3HD1      LEU  12  -5.946   2.479  -1.731
   98   1HD2  LEU  12          1HD2      LEU  12  -3.039   1.788  -2.840
   99   2HD2  LEU  12          2HD2      LEU  12  -3.678   0.901  -4.224
  100   3HD2  LEU  12          3HD2      LEU  12  -4.415   2.428  -3.738
  101    H    GLU  13           H        GLU  13  -4.892  -3.430  -1.515
  102    HA   GLU  13           HA       GLU  13  -2.838  -4.329   0.027
  103   1HB   GLU  13          1HB       GLU  13  -5.138  -5.783  -1.236
  104   2HB   GLU  13          2HB       GLU  13  -3.958  -6.661  -0.272
  105   1HG   GLU  13          1HG       GLU  13  -4.456  -5.325   1.657
  106   2HG   GLU  13          2HG       GLU  13  -5.519  -4.284   0.711
  107    H    ALA  14           H        ALA  14  -3.273  -4.838  -3.389
  108    HA   ALA  14           HA       ALA  14  -1.335  -6.920  -3.653
  109   1HB   ALA  14          1HB       ALA  14  -2.606  -5.068  -5.661
  110   2HB   ALA  14          2HB       ALA  14  -1.470  -6.346  -6.093
  111   3HB   ALA  14          3HB       ALA  14  -3.011  -6.754  -5.338
  112    H    GLU  15           H        GLU  15  -1.289  -3.411  -4.382
  113    HA   GLU  15           HA       GLU  15   1.472  -3.403  -4.996
  114   1HB   GLU  15          1HB       GLU  15   0.979  -0.855  -4.695
  115   2HB   GLU  15          2HB       GLU  15   0.384  -1.717  -6.089
  116   1HG   GLU  15          1HG       GLU  15  -1.806  -1.840  -5.127
  117   2HG   GLU  15          2HG       GLU  15  -1.223  -1.139  -3.617
  118    H    ASN  16           H        ASN  16  -0.476  -2.313  -2.210
  119    HA   ASN  16           HA       ASN  16   1.621  -1.299  -0.669
  120   1HB   ASN  16          1HB       ASN  16  -0.775  -0.969  -0.154
  121   2HB   ASN  16          2HB       ASN  16  -0.907  -2.664   0.298
  122   1HD2  ASN  16          2HD2      ASN  16  -1.714  -1.323   2.231
  123   2HD2  ASN  16          1HD2      ASN  16  -0.543  -1.013   3.461
  124    H    TYR  17           H        TYR  17   0.824  -4.540  -1.484
  125    HA   TYR  17           HA       TYR  17   2.350  -5.680   0.712
  126   1HB   TYR  17          1HB       TYR  17   0.410  -6.931   0.183
  127   2HB   TYR  17          2HB       TYR  17   0.740  -6.864  -1.544
  128    HD1  TYR  17           HD1      TYR  17   1.782  -8.409   1.646
  129    HD2  TYR  17           HD2      TYR  17   2.132  -8.486  -2.594
  130    HE1  TYR  17           HE1      TYR  17   2.904 -10.594   1.784
  131    HE2  TYR  17           HE2      TYR  17   3.253 -10.672  -2.468
  132    HH   TYR  17           HH       TYR  17   3.486 -12.542  -0.990
  133    H    GLN  18           H        GLN  18   2.505  -5.566  -2.849
  134    HA   GLN  18           HA       GLN  18   4.805  -7.018  -3.256
  135   1HB   GLN  18          1HB       GLN  18   4.926  -6.082  -5.388
  136   2HB   GLN  18          2HB       GLN  18   3.225  -5.950  -4.975
  137   1HG   GLN  18          1HG       GLN  18   3.413  -3.627  -4.562
  138   2HG   GLN  18          2HG       GLN  18   5.173  -3.689  -4.618
  139   1HE2  GLN  18          2HE2      GLN  18   3.733  -1.906  -6.144
  140   2HE2  GLN  18          1HE2      GLN  18   3.884  -2.330  -7.812
  141    H    LEU  19           H        LEU  19   4.511  -3.836  -1.906
  142    HA   LEU  19           HA       LEU  19   7.330  -3.223  -2.187
  143   1HB   LEU  19          1HB       LEU  19   5.106  -1.836  -0.708
  144   2HB   LEU  19          2HB       LEU  19   6.740  -1.222  -0.834
  145    HG   LEU  19           HG       LEU  19   4.772  -1.580  -3.094
  146   1HD1  LEU  19          1HD1      LEU  19   4.804   0.429  -1.354
  147   2HD1  LEU  19          2HD1      LEU  19   6.071   1.000  -2.439
  148   3HD1  LEU  19          3HD1      LEU  19   4.457   0.667  -3.067
  149   1HD2  LEU  19          1HD2      LEU  19   7.704  -1.211  -3.069
  150   2HD2  LEU  19          2HD2      LEU  19   6.664  -1.969  -4.274
  151   3HD2  LEU  19          3HD2      LEU  19   6.789  -0.212  -4.198
  152    H    GLU  20           H        GLU  20   5.114  -3.478   0.589
  153    HA   GLU  20           HA       GLU  20   6.908  -3.558   2.640
  154   1HB   GLU  20          1HB       GLU  20   4.224  -3.891   2.442
  155   2HB   GLU  20          2HB       GLU  20   4.715  -5.520   2.888
  156   1HG   GLU  20          1HG       GLU  20   6.091  -3.682   4.562
  157   2HG   GLU  20          2HG       GLU  20   4.380  -3.257   4.548
  158    H    GLN  21           H        GLN  21   6.201  -6.121   0.364
  159    HA   GLN  21           HA       GLN  21   7.613  -8.120   1.881
  160   1HB   GLN  21          1HB       GLN  21   7.252  -9.526  -0.133
  161   2HB   GLN  21          2HB       GLN  21   5.775  -8.855   0.532
  162   1HG   GLN  21          1HG       GLN  21   5.278  -8.083  -1.478
  163   2HG   GLN  21          2HG       GLN  21   6.671  -7.008  -1.371
  164   1HE2  GLN  21          2HE2      GLN  21   6.752  -7.230  -3.691
  165   2HE2  GLN  21          1HE2      GLN  21   7.532  -8.602  -4.393
  166    H    GLU  22           H        GLU  22   8.283  -5.963  -0.828
  167    HA   GLU  22           HA       GLU  22  10.864  -7.201  -1.311
  168   1HB   GLU  22          1HB       GLU  22  11.157  -5.592  -3.068
  169   2HB   GLU  22          2HB       GLU  22   9.519  -6.219  -3.166
  170   1HG   GLU  22          1HG       GLU  22   8.629  -4.209  -2.893
  171   2HG   GLU  22          2HG       GLU  22   9.677  -3.833  -1.528
  172    H    VAL  23           H        VAL  23   9.535  -4.648   0.564
  173    HA   VAL  23           HA       VAL  23  11.827  -3.057   0.963
  174    HB   VAL  23           HB       VAL  23   9.506  -3.538   2.841
  175   1HG1  VAL  23          1HG1      VAL  23  11.898  -2.053   3.188
  176   2HG1  VAL  23          2HG1      VAL  23  10.562  -0.912   3.040
  177   3HG1  VAL  23          3HG1      VAL  23  10.512  -2.176   4.269
  178   1HG2  VAL  23          1HG2      VAL  23   9.479  -2.400   0.295
  179   2HG2  VAL  23          2HG2      VAL  23   8.221  -2.286   1.526
  180   3HG2  VAL  23          3HG2      VAL  23   9.456  -1.032   1.408
  181    H    ALA  24           H        ALA  24  10.790  -6.102   2.237
  182    HA   ALA  24           HA       ALA  24  12.448  -6.144   4.553
  183   1HB   ALA  24          1HB       ALA  24  11.082  -8.353   3.021
  184   2HB   ALA  24          2HB       ALA  24  11.919  -8.578   4.557
  185   3HB   ALA  24          3HB       ALA  24  10.496  -7.537   4.472
  186    H    GLN  25           H        GLN  25  12.995  -6.733   1.198
  187    HA   GLN  25           HA       GLN  25  15.576  -8.013   1.788
  188   1HB   GLN  25          1HB       GLN  25  14.035  -7.915  -0.813
  189   2HB   GLN  25          2HB       GLN  25  15.565  -8.743  -0.561
  190   1HG   GLN  25          1HG       GLN  25  14.612 -10.440   0.643
  191   2HG   GLN  25          2HG       GLN  25  13.255  -9.446   1.175
  192   1HE2  GLN  25          2HE2      GLN  25  11.681  -8.840  -0.501
  193   2HE2  GLN  25          1HE2      GLN  25  11.327  -9.985  -1.745
  194    H    LEU  26           H        LEU  26  14.070  -5.198   0.427
  195    HA   LEU  26           HA       LEU  26  16.047  -4.193  -1.222
  196   1HB   LEU  26          1HB       LEU  26  14.009  -2.881   0.539
  197   2HB   LEU  26          2HB       LEU  26  15.176  -1.904  -0.333
  198    HG   LEU  26           HG       LEU  26  13.591  -3.921  -1.860
  199   1HD1  LEU  26          1HD1      LEU  26  12.504  -1.525  -0.511
  200   2HD1  LEU  26          2HD1      LEU  26  12.035  -1.779  -2.192
  201   3HD1  LEU  26          3HD1      LEU  26  11.706  -3.024  -0.988
  202   1HD2  LEU  26          1HD2      LEU  26  14.736  -1.196  -2.446
  203   2HD2  LEU  26          2HD2      LEU  26  15.308  -2.753  -3.046
  204   3HD2  LEU  26          3HD2      LEU  26  13.749  -2.122  -3.577
  205    H    GLU  27           H        GLU  27  15.580  -2.969   2.093
  206    HA   GLU  27           HA       GLU  27  18.115  -1.815   2.291
  207   1HB   GLU  27          1HB       GLU  27  17.664  -2.062   4.841
  208   2HB   GLU  27          2HB       GLU  27  16.631  -1.017   3.878
  209   1HG   GLU  27          1HG       GLU  27  15.432  -2.446   5.517
  210   2HG   GLU  27          2HG       GLU  27  14.886  -2.631   3.852
  211    H    HIS  28           H        HIS  28  17.164  -5.102   2.535
  212    HA   HIS  28           HA       HIS  28  19.342  -6.006   4.148
  213   1HB   HIS  28          1HB       HIS  28  17.241  -7.274   3.969
  214   2HB   HIS  28          2HB       HIS  28  17.549  -7.546   2.257
  215    HD1  HIS  28           HD1      HIS  28  20.544  -7.872   4.388
  216    HD2  HIS  28           HD2      HIS  28  17.507 -10.318   2.957
  217    HE1  HIS  28           HE1      HIS  28  21.331 -10.250   4.724
  218    H    GLU  29           H        GLU  29  18.630  -6.789   0.741
  219    HA   GLU  29           HA       GLU  29  21.467  -7.193   0.252
  220   1HB   GLU  29          1HB       GLU  29  19.338  -8.559  -0.632
  221   2HB   GLU  29          2HB       GLU  29  19.490  -7.411  -1.954
  222   1HG   GLU  29          1HG       GLU  29  20.915  -8.881  -2.824
  223   2HG   GLU  29          2HG       GLU  29  22.064  -8.248  -1.644
  224    H    GLY  30           H        GLY  30  18.919  -5.533  -1.620
  225   1HA   GLY  30          1HA       GLY  30  19.374  -3.027  -1.816
  226   2HA   GLY  30          2HA       GLY  30  20.949  -3.541  -2.401
  227   1HN   NH2  31          1HN       NH2  31  20.602  -2.494  -4.377
  228   2HN   NH2  31          2HN       NH2  31  19.542  -3.140  -5.577
  229   1H    ACE   0          1H        ACE   0 -18.888  -0.419   9.253
  230   2H    ACE   0          2H        ACE   0 -20.540  -0.310   8.642
  231   3H    ACE   0          3H        ACE   0 -19.340   0.887   8.157
  232    H    GLU   1           H        GLU   1 -20.900  -0.708   6.368
  233    HA   GLU   1           HA       GLU   1 -19.093  -2.740   5.332
  234   1HB   GLU   1          1HB       GLU   1 -21.835  -1.824   4.462
  235   2HB   GLU   1          2HB       GLU   1 -20.921  -3.085   3.645
  236   1HG   GLU   1          1HG       GLU   1 -22.491  -4.131   5.091
  237   2HG   GLU   1          2HG       GLU   1 -20.884  -4.358   5.779
  238    H    VAL   2           H        VAL   2 -20.973  -0.280   3.603
  239    HA   VAL   2           HA       VAL   2 -19.082  -0.036   1.510
  240    HB   VAL   2           HB       VAL   2 -21.264   1.922   2.222
  241   1HG1  VAL   2          1HG1      VAL   2 -19.401   2.378   0.430
  242   2HG1  VAL   2          2HG1      VAL   2 -20.395   1.311  -0.559
  243   3HG1  VAL   2          3HG1      VAL   2 -21.084   2.789   0.109
  244   1HG2  VAL   2          1HG2      VAL   2 -21.612  -0.767   1.676
  245   2HG2  VAL   2          2HG2      VAL   2 -22.834   0.497   1.539
  246   3HG2  VAL   2          3HG2      VAL   2 -21.896   0.022   0.124
  247    H    GLN   3           H        GLN   3 -19.379   1.508   4.560
  248    HA   GLN   3           HA       GLN   3 -17.660   3.729   3.823
  249   1HB   GLN   3          1HB       GLN   3 -19.693   3.366   5.730
  250   2HB   GLN   3          2HB       GLN   3 -18.209   3.587   6.646
  251   1HG   GLN   3          1HG       GLN   3 -18.048   5.749   6.105
  252   2HG   GLN   3          2HG       GLN   3 -18.550   5.474   4.437
  253   1HE2  GLN   3          2HE2      GLN   3 -19.818   5.580   7.739
  254   2HE2  GLN   3          1HE2      GLN   3 -21.354   6.246   7.317
  255    H    ALA   4           H        ALA   4 -17.629   1.504   6.600
  256    HA   ALA   4           HA       ALA   4 -15.069   1.900   7.459
  257   1HB   ALA   4          1HB       ALA   4 -17.087   0.300   8.234
  258   2HB   ALA   4          2HB       ALA   4 -15.945  -0.897   7.626
  259   3HB   ALA   4          3HB       ALA   4 -15.454   0.224   8.895
  260    H    LEU   5           H        LEU   5 -15.895   0.420   4.494
  261    HA   LEU   5           HA       LEU   5 -13.228  -0.823   4.310
  262   1HB   LEU   5          1HB       LEU   5 -15.858  -1.420   3.101
  263   2HB   LEU   5          2HB       LEU   5 -14.451  -1.712   2.108
  264    HG   LEU   5           HG       LEU   5 -14.505  -2.843   4.871
  265   1HD1  LEU   5          1HD1      LEU   5 -16.300  -3.618   2.647
  266   2HD1  LEU   5          2HD1      LEU   5 -15.520  -4.915   3.552
  267   3HD1  LEU   5          3HD1      LEU   5 -16.532  -3.741   4.391
  268   1HD2  LEU   5          1HD2      LEU   5 -13.245  -3.478   2.237
  269   2HD2  LEU   5          2HD2      LEU   5 -12.498  -3.294   3.824
  270   3HD2  LEU   5          3HD2      LEU   5 -13.434  -4.742   3.453
  271    H    LYS   6           H        LYS   6 -15.393   1.499   3.052
  272    HA   LYS   6           HA       LYS   6 -13.976   2.125   0.655
  273   1HB   LYS   6          1HB       LYS   6 -16.370   2.406   0.855
  274   2HB   LYS   6          2HB       LYS   6 -16.155   3.454   2.240
  275   1HG   LYS   6          1HG       LYS   6 -16.635   4.922   0.507
  276   2HG   LYS   6          2HG       LYS   6 -14.876   4.993   0.627
  277   1HD   LYS   6          1HD       LYS   6 -14.641   4.266  -1.468
  278   2HD   LYS   6          2HD       LYS   6 -15.689   2.879  -1.158
  279   1HE   LYS   6          1HE       LYS   6 -17.625   4.083  -1.740
  280   2HE   LYS   6          2HE       LYS   6 -16.786   5.631  -1.658
  281   1HZ   LYS   6          1HZ       LYS   6 -15.383   4.303  -3.539
  282   2HZ   LYS   6          2HZ       LYS   6 -16.953   3.744  -3.828
  283   3HZ   LYS   6          3HZ       LYS   6 -16.627   5.404  -3.860
  284    H    LYS   7           H        LYS   7 -14.269   3.537   3.890
  285    HA   LYS   7           HA       LYS   7 -12.434   5.682   3.231
  286   1HB   LYS   7          1HB       LYS   7 -14.204   5.012   5.521
  287   2HB   LYS   7          2HB       LYS   7 -12.784   5.993   5.864
  288   1HG   LYS   7          1HG       LYS   7 -14.286   7.638   5.420
  289   2HG   LYS   7          2HG       LYS   7 -13.666   7.367   3.790
  290   1HD   LYS   7          1HD       LYS   7 -15.922   5.648   4.565
  291   2HD   LYS   7          2HD       LYS   7 -16.299   7.369   4.457
  292   1HE   LYS   7          1HE       LYS   7 -14.711   6.198   2.249
  293   2HE   LYS   7          2HE       LYS   7 -16.405   5.718   2.354
  294   1HZ   LYS   7          1HZ       LYS   7 -15.569   8.557   2.418
  295   2HZ   LYS   7          2HZ       LYS   7 -15.878   7.745   0.966
  296   3HZ   LYS   7          3HZ       LYS   7 -17.108   7.925   2.113
  297    H    ARG   8           H        ARG   8 -12.088   2.490   4.154
  298    HA   ARG   8           HA       ARG   8  -9.759   2.941   5.828
  299   1HB   ARG   8          1HB       ARG   8  -9.811   0.663   6.347
  300   2HB   ARG   8          2HB       ARG   8 -11.501   1.113   6.225
  301   1HG   ARG   8          1HG       ARG   8 -11.717   0.055   4.108
  302   2HG   ARG   8          2HG       ARG   8  -9.972  -0.173   3.975
  303   1HD   ARG   8          1HD       ARG   8 -10.778  -1.367   6.404
  304   2HD   ARG   8          2HD       ARG   8 -11.928  -1.882   5.173
  305    HE   ARG   8           HE       ARG   8 -10.257  -3.071   4.128
  306   1HH1  ARG   8          1HH1      ARG   8  -8.875  -1.053   6.623
  307   2HH1  ARG   8          2HH1      ARG   8  -7.330  -1.831   6.570
  308   1HH2  ARG   8          1HH2      ARG   8  -8.222  -4.097   4.065
  309   2HH2  ARG   8          2HH2      ARG   8  -6.958  -3.558   5.119
  310    H    VAL   9           H        VAL   9 -10.526   2.189   2.533
  311    HA   VAL   9           HA       VAL   9  -8.280   0.894   1.615
  312    HB   VAL   9           HB       VAL   9  -9.935   3.038   0.277
  313   1HG1  VAL   9          1HG1      VAL   9  -7.695   3.042  -0.737
  314   2HG1  VAL   9          2HG1      VAL   9  -7.812   1.301  -0.996
  315   3HG1  VAL   9          3HG1      VAL   9  -8.902   2.394  -1.847
  316   1HG2  VAL   9          1HG2      VAL   9 -10.582   0.483   0.911
  317   2HG2  VAL   9          2HG2      VAL   9 -11.273   1.384  -0.439
  318   3HG2  VAL   9          3HG2      VAL   9  -9.930   0.275  -0.715
  319    H    GLN  10           H        GLN  10  -8.661   4.297   2.426
  320    HA   GLN  10           HA       GLN  10  -6.309   5.305   1.334
  321   1HB   GLN  10          1HB       GLN  10  -6.449   6.968   3.293
  322   2HB   GLN  10          2HB       GLN  10  -7.791   6.915   2.158
  323   1HG   GLN  10          1HG       GLN  10  -9.237   6.226   3.709
  324   2HG   GLN  10          2HG       GLN  10  -8.083   5.110   4.437
  325   1HE2  GLN  10          2HE2      GLN  10  -9.455   8.265   4.517
  326   2HE2  GLN  10          1HE2      GLN  10  -8.691   8.798   5.972
  327    H    ALA  11           H        ALA  11  -6.803   3.251   4.067
  328    HA   ALA  11           HA       ALA  11  -4.350   3.788   5.406
  329   1HB   ALA  11          1HB       ALA  11  -6.316   2.771   6.500
  330   2HB   ALA  11          2HB       ALA  11  -6.054   1.307   5.552
  331   3HB   ALA  11          3HB       ALA  11  -4.841   1.828   6.721
  332    H    LEU  12           H        LEU  12  -5.272   1.708   2.757
  333    HA   LEU  12           HA       LEU  12  -2.843   0.148   2.882
  334   1HB   LEU  12          1HB       LEU  12  -4.583   0.214   0.456
  335   2HB   LEU  12          2HB       LEU  12  -3.682  -1.118   1.130
  336    HG   LEU  12           HG       LEU  12  -5.990  -0.053   2.690
  337   1HD1  LEU  12          1HD1      LEU  12  -6.447  -0.575   0.102
  338   2HD1  LEU  12          2HD1      LEU  12  -6.570  -2.204   0.760
  339   3HD1  LEU  12          3HD1      LEU  12  -7.610  -0.924   1.380
  340   1HD2  LEU  12          1HD2      LEU  12  -4.222  -2.018   3.170
  341   2HD2  LEU  12          2HD2      LEU  12  -5.879  -2.030   3.774
  342   3HD2  LEU  12          3HD2      LEU  12  -5.466  -2.930   2.314
  343    H    LYS  13           H        LYS  13  -4.069   2.919   1.120
  344    HA   LYS  13           HA       LYS  13  -1.748   2.999  -0.619
  345   1HB   LYS  13          1HB       LYS  13  -2.908   5.102  -1.448
  346   2HB   LYS  13          2HB       LYS  13  -3.646   3.541  -1.786
  347   1HG   LYS  13          1HG       LYS  13  -5.386   3.898  -0.347
  348   2HG   LYS  13          2HG       LYS  13  -4.468   5.030   0.653
  349   1HD   LYS  13          1HD       LYS  13  -5.417   6.683  -0.459
  350   2HD   LYS  13          2HD       LYS  13  -4.519   6.140  -1.883
  351   1HE   LYS  13          1HE       LYS  13  -6.335   4.866  -2.670
  352   2HE   LYS  13          2HE       LYS  13  -7.163   4.934  -1.115
  353   1HZ   LYS  13          1HZ       LYS  13  -7.160   7.477  -1.611
  354   2HZ   LYS  13          2HZ       LYS  13  -6.989   6.974  -3.218
  355   3HZ   LYS  13          3HZ       LYS  13  -8.327   6.473  -2.311
  356    H    ALA  14           H        ALA  14  -3.104   4.827   2.082
  357    HA   ALA  14           HA       ALA  14  -1.340   7.004   2.002
  358   1HB   ALA  14          1HB       ALA  14  -2.728   5.732   4.358
  359   2HB   ALA  14          2HB       ALA  14  -1.875   7.274   4.416
  360   3HB   ALA  14          3HB       ALA  14  -3.299   7.093   3.391
  361    H    ARG  15           H        ARG  15  -1.016   3.784   3.341
  362    HA   ARG  15           HA       ARG  15   1.578   4.397   4.504
  363   1HB   ARG  15          1HB       ARG  15   0.060   2.934   5.748
  364   2HB   ARG  15          2HB       ARG  15   0.008   1.813   4.395
  365   1HG   ARG  15          1HG       ARG  15   1.614   0.726   5.500
  366   2HG   ARG  15          2HG       ARG  15   2.684   1.974   4.860
  367   1HD   ARG  15          1HD       ARG  15   3.192   2.502   6.959
  368   2HD   ARG  15          2HD       ARG  15   1.544   3.100   7.142
  369    HE   ARG  15           HE       ARG  15   1.165   1.354   8.544
  370   1HH1  ARG  15          1HH1      ARG  15   3.741   0.447   6.371
  371   2HH1  ARG  15          2HH1      ARG  15   3.998  -1.094   7.118
  372   1HH2  ARG  15          1HH2      ARG  15   1.500  -0.675   9.526
  373   2HH2  ARG  15          2HH2      ARG  15   2.727  -1.730   8.908
  374    H    ASN  16           H        ASN  16   0.172   2.656   1.798
  375    HA   ASN  16           HA       ASN  16   2.572   1.398   0.939
  376   1HB   ASN  16          1HB       ASN  16   0.462   0.501   0.222
  377   2HB   ASN  16          2HB       ASN  16  -0.009   2.029  -0.505
  378   1HD2  ASN  16          2HD2      ASN  16  -0.266   1.357  -2.562
  379   2HD2  ASN  16          1HD2      ASN  16   1.009   0.732  -3.547
  380    H    TYR  17           H        TYR  17   0.808   4.256  -0.247
  381    HA   TYR  17           HA       TYR  17   2.456   5.062  -2.270
  382   1HB   TYR  17          1HB       TYR  17   0.503   6.328  -1.992
  383   2HB   TYR  17          2HB       TYR  17   0.828   6.631  -0.287
  384    HD1  TYR  17           HD1      TYR  17   2.190   7.390  -3.679
  385    HD2  TYR  17           HD2      TYR  17   1.733   8.673   0.352
  386    HE1  TYR  17           HE1      TYR  17   3.209   9.552  -4.256
  387    HE2  TYR  17           HE2      TYR  17   2.754  10.837  -0.215
  388    HH   TYR  17           HH       TYR  17   3.329  11.800  -3.471
  389    H    ALA  18           H        ALA  18   2.839   5.662   1.190
  390    HA   ALA  18           HA       ALA  18   5.055   7.360   1.090
  391   1HB   ALA  18          1HB       ALA  18   3.949   5.520   3.170
  392   2HB   ALA  18          2HB       ALA  18   5.487   6.339   3.438
  393   3HB   ALA  18          3HB       ALA  18   4.023   7.282   3.156
  394    H    LEU  19           H        LEU  19   4.904   3.814   1.323
  395    HA   LEU  19           HA       LEU  19   7.633   3.339   1.607
  396   1HB   LEU  19          1HB       LEU  19   6.087   1.457  -0.089
  397   2HB   LEU  19          2HB       LEU  19   7.211   1.128   1.211
  398    HG   LEU  19           HG       LEU  19   4.344   2.007   1.495
  399   1HD1  LEU  19          1HD1      LEU  19   5.781  -0.535   2.226
  400   2HD1  LEU  19          2HD1      LEU  19   4.098  -0.166   2.605
  401   3HD1  LEU  19          3HD1      LEU  19   4.608  -0.329   0.924
  402   1HD2  LEU  19          1HD2      LEU  19   5.834   3.052   3.185
  403   2HD2  LEU  19          2HD2      LEU  19   4.660   1.931   3.876
  404   3HD2  LEU  19          3HD2      LEU  19   6.342   1.437   3.678
  405    H    LYS  20           H        LYS  20   5.685   3.523  -1.358
  406    HA   LYS  20           HA       LYS  20   7.504   2.969  -3.300
  407   1HB   LYS  20          1HB       LYS  20   5.017   4.037  -3.298
  408   2HB   LYS  20          2HB       LYS  20   5.953   5.437  -3.800
  409   1HG   LYS  20          1HG       LYS  20   6.479   4.540  -5.809
  410   2HG   LYS  20          2HG       LYS  20   6.529   2.891  -5.185
  411   1HD   LYS  20          1HD       LYS  20   3.903   4.286  -5.270
  412   2HD   LYS  20          2HD       LYS  20   4.592   3.712  -6.790
  413   1HE   LYS  20          1HE       LYS  20   4.902   1.474  -5.610
  414   2HE   LYS  20          2HE       LYS  20   3.842   2.116  -4.356
  415   1HZ   LYS  20          1HZ       LYS  20   2.953   2.263  -7.145
  416   2HZ   LYS  20          2HZ       LYS  20   2.890   0.764  -6.362
  417   3HZ   LYS  20          3HZ       LYS  20   2.041   2.084  -5.732
  418    H    GLN  21           H        GLN  21   7.431   5.784  -1.254
  419    HA   GLN  21           HA       GLN  21   9.398   7.243  -2.776
  420   1HB   GLN  21          1HB       GLN  21   7.706   8.478  -1.568
  421   2HB   GLN  21          2HB       GLN  21   8.167   7.709  -0.056
  422   1HG   GLN  21          1HG       GLN  21  10.519   8.826  -0.775
  423   2HG   GLN  21          2HG       GLN  21   9.384   9.971  -1.486
  424   1HE2  GLN  21          2HE2      GLN  21  10.341   8.389   1.500
  425   2HE2  GLN  21          1HE2      GLN  21   9.723   9.605   2.561
  426    H    LYS  22           H        LYS  22   9.329   5.660   0.420
  427    HA   LYS  22           HA       LYS  22  12.097   6.042   0.932
  428   1HB   LYS  22          1HB       LYS  22  11.765   4.662   2.859
  429   2HB   LYS  22          2HB       LYS  22  10.323   5.652   2.672
  430   1HG   LYS  22          1HG       LYS  22   9.322   3.669   1.438
  431   2HG   LYS  22          2HG       LYS  22  10.668   2.735   2.080
  432   1HD   LYS  22          1HD       LYS  22   8.510   4.148   3.612
  433   2HD   LYS  22          2HD       LYS  22   8.840   2.421   3.555
  434   1HE   LYS  22          1HE       LYS  22  10.932   2.743   4.727
  435   2HE   LYS  22          2HE       LYS  22  10.708   4.491   4.703
  436   1HZ   LYS  22          1HZ       LYS  22   8.589   4.039   5.984
  437   2HZ   LYS  22          2HZ       LYS  22   9.177   2.472   6.231
  438   3HZ   LYS  22          3HZ       LYS  22  10.041   3.801   6.821
  439    H    VAL  23           H        VAL  23  10.195   3.399  -0.395
  440    HA   VAL  23           HA       VAL  23  11.631   1.198  -0.429
  441    HB   VAL  23           HB       VAL  23  10.365   2.482  -2.844
  442   1HG1  VAL  23          1HG1      VAL  23  12.018   0.071  -2.691
  443   2HG1  VAL  23          2HG1      VAL  23  10.432  -0.190  -3.415
  444   3HG1  VAL  23          3HG1      VAL  23  11.523   1.019  -4.091
  445   1HG2  VAL  23          1HG2      VAL  23   9.243   1.402  -0.601
  446   2HG2  VAL  23          2HG2      VAL  23   8.450   1.534  -2.171
  447   3HG2  VAL  23          3HG2      VAL  23   9.245   0.029  -1.708
  448    H    GLN  24           H        GLN  24  12.353   3.751  -2.830
  449    HA   GLN  24           HA       GLN  24  14.637   2.534  -3.857
  450   1HB   GLN  24          1HB       GLN  24  15.251   4.816  -4.670
  451   2HB   GLN  24          2HB       GLN  24  13.614   4.319  -5.075
  452   1HG   GLN  24          1HG       GLN  24  12.761   5.652  -3.200
  453   2HG   GLN  24          2HG       GLN  24  14.407   6.176  -2.843
  454   1HE2  GLN  24          2HE2      GLN  24  12.578   5.823  -5.863
  455   2HE2  GLN  24          1HE2      GLN  24  12.816   7.449  -6.397
  456    H    ALA  25           H        ALA  25  14.324   4.961  -1.286
  457    HA   ALA  25           HA       ALA  25  17.035   5.337  -0.750
  458   1HB   ALA  25          1HB       ALA  25  14.763   6.402   0.228
  459   2HB   ALA  25          2HB       ALA  25  15.226   5.366   1.579
  460   3HB   ALA  25          3HB       ALA  25  16.341   6.598   0.989
  461    H    LEU  26           H        LEU  26  14.850   2.779   0.180
  462    HA   LEU  26           HA       LEU  26  16.396   1.638   2.248
  463   1HB   LEU  26          1HB       LEU  26  14.703  -0.054   0.457
  464   2HB   LEU  26          2HB       LEU  26  14.921  -0.153   2.194
  465    HG   LEU  26           HG       LEU  26  13.231   1.809   0.661
  466   1HD1  LEU  26          1HD1      LEU  26  12.655  -0.351   2.671
  467   2HD1  LEU  26          2HD1      LEU  26  11.477   0.868   2.190
  468   3HD1  LEU  26          3HD1      LEU  26  12.118  -0.260   0.994
  469   1HD2  LEU  26          1HD2      LEU  26  14.420   2.994   2.451
  470   2HD2  LEU  26          2HD2      LEU  26  12.695   2.858   2.791
  471   3HD2  LEU  26          3HD2      LEU  26  13.843   1.802   3.615
  472    H    ARG  27           H        ARG  27  16.186   0.906  -1.219
  473    HA   ARG  27           HA       ARG  27  17.993  -1.214  -1.276
  474   1HB   ARG  27          1HB       ARG  27  17.833  -1.091  -3.566
  475   2HB   ARG  27          2HB       ARG  27  16.402  -0.189  -3.105
  476   1HG   ARG  27          1HG       ARG  27  18.223   1.803  -3.231
  477   2HG   ARG  27          2HG       ARG  27  18.845   0.702  -4.463
  478   1HD   ARG  27          1HD       ARG  27  16.326   0.626  -5.203
  479   2HD   ARG  27          2HD       ARG  27  16.256   2.165  -4.349
  480    HE   ARG  27           HE       ARG  27  17.536   1.639  -6.866
  481   1HH1  ARG  27          1HH1      ARG  27  17.474   3.726  -4.069
  482   2HH1  ARG  27          2HH1      ARG  27  18.194   5.065  -4.897
  483   1HH2  ARG  27          1HH2      ARG  27  18.486   3.400  -7.956
  484   2HH2  ARG  27          2HH2      ARG  27  18.769   4.881  -7.104
  485    H    HIS  28           H        HIS  28  18.541   2.182  -0.956
  486    HA   HIS  28           HA       HIS  28  21.354   1.987  -1.654
  487   1HB   HIS  28          1HB       HIS  28  19.442   4.184  -1.093
  488   2HB   HIS  28          2HB       HIS  28  21.123   4.483  -0.663
  489    HD1  HIS  28           HD1      HIS  28  19.503   5.897  -3.042
  490    HD2  HIS  28           HD2      HIS  28  22.257   2.805  -3.390
  491    HE1  HIS  28           HE1      HIS  28  20.398   6.006  -5.406
  492    H    LYS  29           H        LYS  29  19.340   1.903   1.155
  493    HA   LYS  29           HA       LYS  29  21.016   2.774   3.165
  494   1HB   LYS  29          1HB       LYS  29  18.607   1.960   3.341
  495   2HB   LYS  29          2HB       LYS  29  19.267   0.333   3.429
  496   1HG   LYS  29          1HG       LYS  29  20.680   1.871   5.313
  497   2HG   LYS  29          2HG       LYS  29  18.974   2.279   5.499
  498   1HD   LYS  29          1HD       LYS  29  18.898   0.438   6.786
  499   2HD   LYS  29          2HD       LYS  29  18.858  -0.429   5.249
  500   1HE   LYS  29          1HE       LYS  29  21.540   0.293   6.222
  501   2HE   LYS  29          2HE       LYS  29  20.669  -0.874   7.215
  502   1HZ   LYS  29          1HZ       LYS  29  20.235  -1.889   4.807
  503   2HZ   LYS  29          2HZ       LYS  29  21.734  -1.156   4.524
  504   3HZ   LYS  29          3HZ       LYS  29  21.574  -2.309   5.752
  505    H    GLY  30           H        GLY  30  22.652   1.901   4.379
  506   1HA   GLY  30          1HA       GLY  30  23.808  -0.185   5.084
  507   2HA   GLY  30          2HA       GLY  30  23.762  -0.655   3.391
  508   1HN   NH2  31          1HN       NH2  31  24.434   1.903   2.328
  509   2HN   NH2  31          2HN       NH2  31  26.098   2.193   2.687
  Start of MODEL    9
    1   1H    ACE   0          1H        ACE   0 -21.189   6.411  -5.829
    2   2H    ACE   0          2H        ACE   0 -22.145   4.938  -5.675
    3   3H    ACE   0          3H        ACE   0 -22.089   5.795  -7.215
    4    H    GLU   1           H        GLU   1 -19.163   5.643  -5.422
    5    HA   GLU   1           HA       GLU   1 -17.985   3.922  -7.451
    6   1HB   GLU   1          1HB       GLU   1 -16.934   5.801  -5.388
    7   2HB   GLU   1          2HB       GLU   1 -15.875   4.531  -5.986
    8   1HG   GLU   1          1HG       GLU   1 -16.760   5.483  -8.320
    9   2HG   GLU   1          2HG       GLU   1 -16.907   6.942  -7.341
   10    H    VAL   2           H        VAL   2 -19.768   2.882  -5.317
   11    HA   VAL   2           HA       VAL   2 -18.639   1.555  -3.247
   12    HB   VAL   2           HB       VAL   2 -20.645   0.388  -5.179
   13   1HG1  VAL   2          1HG1      VAL   2 -19.692  -1.316  -3.710
   14   2HG1  VAL   2          2HG1      VAL   2 -20.074  -0.326  -2.301
   15   3HG1  VAL   2          3HG1      VAL   2 -21.374  -0.991  -3.290
   16   1HG2  VAL   2          1HG2      VAL   2 -20.878   2.288  -2.885
   17   2HG2  VAL   2          2HG2      VAL   2 -21.639   2.349  -4.475
   18   3HG2  VAL   2          3HG2      VAL   2 -22.211   1.199  -3.266
   19    H    ALA   3           H        ALA   3 -19.007   0.036  -6.463
   20    HA   ALA   3           HA       ALA   3 -17.410  -2.190  -5.946
   21   1HB   ALA   3          1HB       ALA   3 -18.130  -0.800  -8.512
   22   2HB   ALA   3          2HB       ALA   3 -17.169  -2.278  -8.473
   23   3HB   ALA   3          3HB       ALA   3 -18.813  -2.278  -7.834
   24    H    GLN   4           H        GLN   4 -16.542   0.931  -7.402
   25    HA   GLN   4           HA       GLN   4 -13.913   0.430  -8.076
   26   1HB   GLN   4          1HB       GLN   4 -15.556   2.774  -7.588
   27   2HB   GLN   4          2HB       GLN   4 -13.890   3.043  -7.092
   28   1HG   GLN   4          1HG       GLN   4 -13.158   3.135  -9.194
   29   2HG   GLN   4          2HG       GLN   4 -14.125   1.748  -9.691
   30   1HE2  GLN   4          2HE2      GLN   4 -13.642   4.270 -11.067
   31   2HE2  GLN   4          1HE2      GLN   4 -15.196   4.972 -11.344
   32    H    LEU   5           H        LEU   5 -15.316   0.900  -4.927
   33    HA   LEU   5           HA       LEU   5 -12.707   1.154  -3.657
   34   1HB   LEU   5          1HB       LEU   5 -15.541   1.366  -2.718
   35   2HB   LEU   5          2HB       LEU   5 -14.259   1.093  -1.552
   36    HG   LEU   5           HG       LEU   5 -14.355   3.429  -3.463
   37   1HD1  LEU   5          1HD1      LEU   5 -15.053   3.286  -0.534
   38   2HD1  LEU   5          2HD1      LEU   5 -14.941   4.761  -1.494
   39   3HD1  LEU   5          3HD1      LEU   5 -16.178   3.560  -1.863
   40   1HD2  LEU   5          1HD2      LEU   5 -12.175   2.378  -2.231
   41   2HD2  LEU   5          2HD2      LEU   5 -12.359   4.078  -2.664
   42   3HD2  LEU   5          3HD2      LEU   5 -12.726   3.541  -1.026
   43    H    GLU   6           H        GLU   6 -15.251  -1.190  -4.140
   44    HA   GLU   6           HA       GLU   6 -14.570  -3.062  -2.183
   45   1HB   GLU   6          1HB       GLU   6 -15.915  -3.252  -4.855
   46   2HB   GLU   6          2HB       GLU   6 -15.525  -4.719  -3.970
   47   1HG   GLU   6          1HG       GLU   6 -16.938  -2.597  -2.477
   48   2HG   GLU   6          2HG       GLU   6 -17.850  -3.445  -3.725
   49    H    LYS   7           H        LYS   7 -13.285  -2.549  -5.427
   50    HA   LYS   7           HA       LYS   7 -11.492  -4.816  -5.192
   51   1HB   LYS   7          1HB       LYS   7 -11.179  -2.825  -7.383
   52   2HB   LYS   7          2HB       LYS   7 -11.056  -4.577  -7.434
   53   1HG   LYS   7          1HG       LYS   7 -13.573  -2.933  -7.352
   54   2HG   LYS   7          2HG       LYS   7 -12.969  -3.903  -8.695
   55   1HD   LYS   7          1HD       LYS   7 -13.291  -5.405  -6.204
   56   2HD   LYS   7          2HD       LYS   7 -14.797  -4.730  -6.828
   57   1HE   LYS   7          1HE       LYS   7 -13.276  -5.871  -8.976
   58   2HE   LYS   7          2HE       LYS   7 -13.456  -7.052  -7.679
   59   1HZ   LYS   7          1HZ       LYS   7 -15.834  -5.549  -8.468
   60   2HZ   LYS   7          2HZ       LYS   7 -15.276  -6.734  -9.541
   61   3HZ   LYS   7          3HZ       LYS   7 -15.690  -7.155  -7.956
   62    H    GLU   8           H        GLU   8 -11.442  -1.377  -4.736
   63    HA   GLU   8           HA       GLU   8  -8.727  -0.829  -4.971
   64   1HB   GLU   8          1HB       GLU   8 -10.631   0.805  -4.597
   65   2HB   GLU   8          2HB       GLU   8 -10.524   0.404  -2.888
   66   1HG   GLU   8          1HG       GLU   8  -8.230   1.193  -2.827
   67   2HG   GLU   8          2HG       GLU   8  -8.292   1.546  -4.553
   68    H    VAL   9           H        VAL   9 -10.471  -2.503  -2.472
   69    HA   VAL   9           HA       VAL   9  -8.417  -2.317  -0.488
   70    HB   VAL   9           HB       VAL   9 -10.861  -4.067  -0.742
   71   1HG1  VAL   9          1HG1      VAL   9  -8.566  -4.319   1.103
   72   2HG1  VAL   9          2HG1      VAL   9 -10.170  -4.411   1.830
   73   3HG1  VAL   9          3HG1      VAL   9  -9.718  -5.534   0.548
   74   1HG2  VAL   9          1HG2      VAL   9 -10.127  -1.820   1.132
   75   2HG2  VAL   9          2HG2      VAL   9 -11.270  -1.734  -0.208
   76   3HG2  VAL   9          3HG2      VAL   9 -11.624  -2.750   1.189
   77    H    ALA  10           H        ALA  10  -9.597  -5.028  -2.491
   78    HA   ALA  10           HA       ALA  10  -7.554  -6.823  -1.823
   79   1HB   ALA  10          1HB       ALA  10  -9.653  -7.486  -2.915
   80   2HB   ALA  10          2HB       ALA  10  -9.123  -6.690  -4.396
   81   3HB   ALA  10          3HB       ALA  10  -8.239  -8.087  -3.781
   82    H    GLN  11           H        GLN  11  -7.618  -4.129  -3.996
   83    HA   GLN  11           HA       GLN  11  -5.446  -4.859  -5.655
   84   1HB   GLN  11          1HB       GLN  11  -7.047  -3.101  -6.265
   85   2HB   GLN  11          2HB       GLN  11  -6.481  -2.113  -4.927
   86   1HG   GLN  11          1HG       GLN  11  -5.487  -1.287  -6.919
   87   2HG   GLN  11          2HG       GLN  11  -4.227  -2.094  -5.985
   88   1HE2  GLN  11          2HE2      GLN  11  -3.681  -4.294  -6.615
   89   2HE2  GLN  11          1HE2      GLN  11  -3.785  -4.738  -8.283
   90    H    LEU  12           H        LEU  12  -5.587  -2.566  -2.916
   91    HA   LEU  12           HA       LEU  12  -2.813  -2.140  -2.781
   92   1HB   LEU  12          1HB       LEU  12  -4.844  -1.928  -0.557
   93   2HB   LEU  12          2HB       LEU  12  -3.234  -1.236  -0.544
   94    HG   LEU  12           HG       LEU  12  -5.384  -0.462  -2.515
   95   1HD1  LEU  12          1HD1      LEU  12  -4.498   0.871   0.036
   96   2HD1  LEU  12          2HD1      LEU  12  -5.528   1.619  -1.183
   97   3HD1  LEU  12          3HD1      LEU  12  -6.087   0.192  -0.310
   98   1HD2  LEU  12          1HD2      LEU  12  -2.940  -0.177  -3.136
   99   2HD2  LEU  12          2HD2      LEU  12  -3.942   1.274  -3.189
  100   3HD2  LEU  12          3HD2      LEU  12  -2.852   1.003  -1.829
  101    H    GLU  13           H        GLU  13  -4.890  -4.564  -1.303
  102    HA   GLU  13           HA       GLU  13  -3.120  -5.593   0.586
  103   1HB   GLU  13          1HB       GLU  13  -5.393  -6.776  -0.969
  104   2HB   GLU  13          2HB       GLU  13  -4.409  -7.805   0.062
  105   1HG   GLU  13          1HG       GLU  13  -4.957  -6.452   1.991
  106   2HG   GLU  13          2HG       GLU  13  -5.878  -5.343   0.976
  107    H    ALA  14           H        ALA  14  -3.109  -5.847  -2.859
  108    HA   ALA  14           HA       ALA  14  -1.225  -8.066  -2.865
  109   1HB   ALA  14          1HB       ALA  14  -3.165  -7.470  -4.596
  110   2HB   ALA  14          2HB       ALA  14  -1.837  -6.600  -5.363
  111   3HB   ALA  14          3HB       ALA  14  -1.702  -8.333  -5.068
  112    H    GLU  15           H        GLU  15  -1.319  -4.601  -3.481
  113    HA   GLU  15           HA       GLU  15   1.442  -4.485  -4.307
  114   1HB   GLU  15          1HB       GLU  15  -0.576  -2.912  -4.938
  115   2HB   GLU  15          2HB       GLU  15  -0.105  -2.067  -3.470
  116   1HG   GLU  15          1HG       GLU  15   1.577  -1.071  -4.504
  117   2HG   GLU  15          2HG       GLU  15   2.202  -2.612  -5.089
  118    H    ASN  16           H        ASN  16  -0.393  -3.158  -1.546
  119    HA   ASN  16           HA       ASN  16   1.705  -2.192  -0.044
  120   1HB   ASN  16          1HB       ASN  16  -0.665  -1.849   0.511
  121   2HB   ASN  16          2HB       ASN  16  -0.810  -3.543   0.965
  122   1HD2  ASN  16          2HD2      ASN  16  -1.602  -2.300   2.915
  123   2HD2  ASN  16          1HD2      ASN  16  -0.433  -1.957   4.135
  124    H    TYR  17           H        TYR  17   0.728  -5.490  -0.558
  125    HA   TYR  17           HA       TYR  17   2.419  -6.508   1.574
  126   1HB   TYR  17          1HB       TYR  17   0.405  -7.719   1.316
  127   2HB   TYR  17          2HB       TYR  17   0.577  -7.796  -0.432
  128    HD1  TYR  17           HD1      TYR  17   2.317  -8.927   2.674
  129    HD2  TYR  17           HD2      TYR  17   1.344  -9.760  -1.383
  130    HE1  TYR  17           HE1      TYR  17   3.370 -11.139   2.883
  131    HE2  TYR  17           HE2      TYR  17   2.394 -11.976  -1.184
  132    HH   TYR  17           HH       TYR  17   2.939 -13.600   0.632
  133    H    GLN  18           H        GLN  18   2.624  -5.857  -1.805
  134    HA   GLN  18           HA       GLN  18   4.833  -7.669  -2.259
  135   1HB   GLN  18          1HB       GLN  18   3.089  -5.972  -3.898
  136   2HB   GLN  18          2HB       GLN  18   4.756  -6.031  -4.452
  137   1HG   GLN  18          1HG       GLN  18   3.025  -8.437  -3.939
  138   2HG   GLN  18          2HG       GLN  18   3.314  -7.713  -5.520
  139   1HE2  GLN  18          2HE2      GLN  18   4.981  -8.429  -6.657
  140   2HE2  GLN  18          1HE2      GLN  18   6.270  -9.405  -6.051
  141    H    LEU  19           H        LEU  19   4.783  -5.020  -0.494
  142    HA   LEU  19           HA       LEU  19   7.426  -4.130  -1.425
  143   1HB   LEU  19          1HB       LEU  19   5.140  -2.475  -0.382
  144   2HB   LEU  19          2HB       LEU  19   6.787  -1.880  -0.425
  145    HG   LEU  19           HG       LEU  19   5.164  -2.730  -2.825
  146   1HD1  LEU  19          1HD1      LEU  19   5.547  -0.173  -1.439
  147   2HD1  LEU  19          2HD1      LEU  19   5.792  -0.118  -3.185
  148   3HD1  LEU  19          3HD1      LEU  19   4.263  -0.698  -2.528
  149   1HD2  LEU  19          1HD2      LEU  19   8.019  -2.092  -2.429
  150   2HD2  LEU  19          2HD2      LEU  19   7.238  -3.113  -3.637
  151   3HD2  LEU  19          3HD2      LEU  19   7.238  -1.360  -3.831
  152    H    GLU  20           H        GLU  20   5.202  -4.178   1.353
  153    HA   GLU  20           HA       GLU  20   6.942  -3.601   3.396
  154   1HB   GLU  20          1HB       GLU  20   4.404  -4.116   3.442
  155   2HB   GLU  20          2HB       GLU  20   4.899  -5.784   3.696
  156   1HG   GLU  20          1HG       GLU  20   6.383  -4.570   5.577
  157   2HG   GLU  20          2HG       GLU  20   5.003  -3.474   5.517
  158    H    GLN  21           H        GLN  21   6.726  -6.515   1.512
  159    HA   GLN  21           HA       GLN  21   8.474  -7.988   3.314
  160   1HB   GLN  21          1HB       GLN  21   6.451  -8.855   1.794
  161   2HB   GLN  21          2HB       GLN  21   7.757  -9.062   0.636
  162   1HG   GLN  21          1HG       GLN  21   8.374 -10.101   3.290
  163   2HG   GLN  21          2HG       GLN  21   6.994 -10.883   2.521
  164   1HE2  GLN  21          2HE2      GLN  21  10.322  -9.866   1.862
  165   2HE2  GLN  21          1HE2      GLN  21  10.717 -11.208   0.849
  166    H    GLU  22           H        GLU  22   8.605  -6.209   0.323
  167    HA   GLU  22           HA       GLU  22  11.231  -7.199  -0.385
  168   1HB   GLU  22          1HB       GLU  22   9.180  -6.085  -1.826
  169   2HB   GLU  22          2HB       GLU  22  10.301  -4.737  -1.691
  170   1HG   GLU  22          1HG       GLU  22  11.795  -5.671  -3.076
  171   2HG   GLU  22          2HG       GLU  22  11.526  -7.294  -2.443
  172    H    VAL  23           H        VAL  23   9.861  -4.565   1.387
  173    HA   VAL  23           HA       VAL  23  12.096  -2.810   1.296
  174    HB   VAL  23           HB       VAL  23   9.965  -2.970   3.430
  175   1HG1  VAL  23          1HG1      VAL  23  12.178  -1.144   2.878
  176   2HG1  VAL  23          2HG1      VAL  23  10.624  -0.340   3.101
  177   3HG1  VAL  23          3HG1      VAL  23  11.256  -1.400   4.359
  178   1HG2  VAL  23          1HG2      VAL  23   9.571  -2.517   0.714
  179   2HG2  VAL  23          2HG2      VAL  23   8.454  -2.134   2.024
  180   3HG2  VAL  23          3HG2      VAL  23   9.578  -0.909   1.438
  181    H    ALA  24           H        ALA  24  11.196  -5.523   3.304
  182    HA   ALA  24           HA       ALA  24  12.792  -5.114   5.533
  183   1HB   ALA  24          1HB       ALA  24  11.104  -7.061   4.759
  184   2HB   ALA  24          2HB       ALA  24  12.648  -7.889   4.558
  185   3HB   ALA  24          3HB       ALA  24  12.211  -7.208   6.125
  186    H    GLN  25           H        GLN  25  13.725  -5.981   2.307
  187    HA   GLN  25           HA       GLN  25  16.465  -6.522   3.241
  188   1HB   GLN  25          1HB       GLN  25  15.189  -7.265   0.604
  189   2HB   GLN  25          2HB       GLN  25  16.823  -7.671   1.110
  190   1HG   GLN  25          1HG       GLN  25  15.603  -8.799   3.124
  191   2HG   GLN  25          2HG       GLN  25  14.222  -8.787   2.029
  192   1HE2  GLN  25          2HE2      GLN  25  17.703  -9.420   1.710
  193   2HE2  GLN  25          1HE2      GLN  25  17.526 -10.929   0.890
  194    H    LEU  26           H        LEU  26  14.549  -4.701   0.899
  195    HA   LEU  26           HA       LEU  26  16.620  -3.477  -0.504
  196   1HB   LEU  26          1HB       LEU  26  13.843  -2.521   0.162
  197   2HB   LEU  26          2HB       LEU  26  14.925  -1.627  -0.887
  198    HG   LEU  26           HG       LEU  26  14.073  -4.468  -1.428
  199   1HD1  LEU  26          1HD1      LEU  26  12.842  -1.858  -2.254
  200   2HD1  LEU  26          2HD1      LEU  26  12.644  -3.328  -3.208
  201   3HD1  LEU  26          3HD1      LEU  26  12.063  -3.272  -1.544
  202   1HD2  LEU  26          1HD2      LEU  26  15.620  -2.389  -2.926
  203   2HD2  LEU  26          2HD2      LEU  26  16.010  -4.085  -2.646
  204   3HD2  LEU  26          3HD2      LEU  26  14.739  -3.649  -3.789
  205    H    GLU  27           H        GLU  27  15.232  -2.710   2.623
  206    HA   GLU  27           HA       GLU  27  16.769  -0.249   2.815
  207   1HB   GLU  27          1HB       GLU  27  15.581   0.174   4.844
  208   2HB   GLU  27          2HB       GLU  27  14.417  -0.423   3.670
  209   1HG   GLU  27          1HG       GLU  27  15.043  -2.736   4.821
  210   2HG   GLU  27          2HG       GLU  27  15.403  -1.659   6.167
  211    H    HIS  28           H        HIS  28  18.539  -2.216   2.507
  212    HA   HIS  28           HA       HIS  28  19.398  -3.526   4.849
  213   1HB   HIS  28          1HB       HIS  28  20.157  -4.282   2.683
  214   2HB   HIS  28          2HB       HIS  28  20.914  -2.728   2.357
  215    HD1  HIS  28           HD1      HIS  28  21.309  -5.658   4.767
  216    HD2  HIS  28           HD2      HIS  28  23.511  -2.578   3.055
  217    HE1  HIS  28           HE1      HIS  28  23.711  -6.031   5.463
  218    H    GLU  29           H        GLU  29  19.869  -0.290   3.661
  219    HA   GLU  29           HA       GLU  29  22.146   0.447   5.106
  220   1HB   GLU  29          1HB       GLU  29  21.362   2.758   4.832
  221   2HB   GLU  29          2HB       GLU  29  21.213   1.843   3.337
  222   1HG   GLU  29          1HG       GLU  29  18.793   1.655   4.875
  223   2HG   GLU  29          2HG       GLU  29  19.244   3.342   4.629
  224    H    GLY  30           H        GLY  30  18.820   0.072   6.091
  225   1HA   GLY  30          1HA       GLY  30  18.837   1.567   8.458
  226   2HA   GLY  30          2HA       GLY  30  17.815   0.171   8.152
  227   1HN   NH2  31          1HN       NH2  31  18.980  -1.976   8.370
  228   2HN   NH2  31          2HN       NH2  31  20.048  -2.139   9.718
  229   1H    ACE   0          1H        ACE   0 -21.827   0.210   6.288
  230   2H    ACE   0          2H        ACE   0 -22.114   1.760   5.498
  231   3H    ACE   0          3H        ACE   0 -20.573   1.450   6.297
  232    H    GLU   1           H        GLU   1 -21.950   1.699   3.354
  233    HA   GLU   1           HA       GLU   1 -20.535  -0.496   2.070
  234   1HB   GLU   1          1HB       GLU   1 -22.343   1.669   0.994
  235   2HB   GLU   1          2HB       GLU   1 -21.558   0.466  -0.020
  236   1HG   GLU   1          1HG       GLU   1 -22.711  -1.302   1.286
  237   2HG   GLU   1          2HG       GLU   1 -23.584  -0.034   2.145
  238    H    VAL   2           H        VAL   2 -20.798   2.902   1.084
  239    HA   VAL   2           HA       VAL   2 -18.216   2.918  -0.100
  240    HB   VAL   2           HB       VAL   2 -19.855   5.333   0.648
  241   1HG1  VAL   2          1HG1      VAL   2 -17.619   4.821  -1.286
  242   2HG1  VAL   2          2HG1      VAL   2 -18.721   6.185  -1.484
  243   3HG1  VAL   2          3HG1      VAL   2 -17.737   6.052  -0.027
  244   1HG2  VAL   2          1HG2      VAL   2 -20.532   3.217  -1.138
  245   2HG2  VAL   2          2HG2      VAL   2 -21.413   4.707  -0.805
  246   3HG2  VAL   2          3HG2      VAL   2 -20.198   4.669  -2.082
  247    H    GLN   3           H        GLN   3 -19.287   3.461   3.101
  248    HA   GLN   3           HA       GLN   3 -16.934   5.002   3.833
  249   1HB   GLN   3          1HB       GLN   3 -19.564   4.497   5.003
  250   2HB   GLN   3          2HB       GLN   3 -18.263   4.421   6.182
  251   1HG   GLN   3          1HG       GLN   3 -17.554   6.644   5.627
  252   2HG   GLN   3          2HG       GLN   3 -18.711   6.725   4.300
  253   1HE2  GLN   3          2HE2      GLN   3 -18.178   7.896   7.223
  254   2HE2  GLN   3          1HE2      GLN   3 -19.792   8.074   7.812
  255    H    ALA   4           H        ALA   4 -18.500   2.141   5.253
  256    HA   ALA   4           HA       ALA   4 -16.468   1.239   6.828
  257   1HB   ALA   4          1HB       ALA   4 -18.918   0.348   6.315
  258   2HB   ALA   4          2HB       ALA   4 -17.997  -0.861   5.420
  259   3HB   ALA   4          3HB       ALA   4 -17.703  -0.626   7.143
  260    H    LEU   5           H        LEU   5 -16.437   1.216   3.386
  261    HA   LEU   5           HA       LEU   5 -14.227  -0.727   3.394
  262   1HB   LEU   5          1HB       LEU   5 -16.259   0.061   1.385
  263   2HB   LEU   5          2HB       LEU   5 -14.674  -0.369   0.786
  264    HG   LEU   5           HG       LEU   5 -16.025  -2.237   2.679
  265   1HD1  LEU   5          1HD1      LEU   5 -17.659  -1.463   0.857
  266   2HD1  LEU   5          2HD1      LEU   5 -16.618  -2.351  -0.255
  267   3HD1  LEU   5          3HD1      LEU   5 -17.412  -3.196   1.074
  268   1HD2  LEU   5          1HD2      LEU   5 -13.919  -2.305   0.605
  269   2HD2  LEU   5          2HD2      LEU   5 -14.017  -3.144   2.153
  270   3HD2  LEU   5          3HD2      LEU   5 -14.925  -3.744   0.765
  271    H    LYS   6           H        LYS   6 -15.266   2.400   2.294
  272    HA   LYS   6           HA       LYS   6 -13.096   3.331   0.901
  273   1HB   LYS   6          1HB       LYS   6 -15.115   4.569   0.993
  274   2HB   LYS   6          2HB       LYS   6 -15.059   4.645   2.743
  275   1HG   LYS   6          1HG       LYS   6 -14.534   6.799   1.808
  276   2HG   LYS   6          2HG       LYS   6 -13.101   6.130   2.590
  277   1HD   LYS   6          1HD       LYS   6 -11.998   6.509   0.690
  278   2HD   LYS   6          2HD       LYS   6 -12.964   5.229  -0.043
  279   1HE   LYS   6          1HE       LYS   6 -14.695   6.954  -0.573
  280   2HE   LYS   6          2HE       LYS   6 -13.559   8.182  -0.015
  281   1HZ   LYS   6          1HZ       LYS   6 -12.042   6.852  -1.748
  282   2HZ   LYS   6          2HZ       LYS   6 -13.557   6.633  -2.470
  283   3HZ   LYS   6          3HZ       LYS   6 -12.978   8.195  -2.173
  284    H    LYS   7           H        LYS   7 -13.696   3.695   4.391
  285    HA   LYS   7           HA       LYS   7 -11.153   4.865   4.903
  286   1HB   LYS   7          1HB       LYS   7 -11.753   4.680   7.250
  287   2HB   LYS   7          2HB       LYS   7 -13.112   5.288   6.314
  288   1HG   LYS   7          1HG       LYS   7 -13.495   2.553   6.318
  289   2HG   LYS   7          2HG       LYS   7 -12.893   2.899   7.940
  290   1HD   LYS   7          1HD       LYS   7 -15.230   4.253   6.590
  291   2HD   LYS   7          2HD       LYS   7 -15.334   3.026   7.854
  292   1HE   LYS   7          1HE       LYS   7 -13.656   5.362   8.487
  293   2HE   LYS   7          2HE       LYS   7 -15.378   5.693   8.309
  294   1HZ   LYS   7          1HZ       LYS   7 -15.365   3.474   9.839
  295   2HZ   LYS   7          2HZ       LYS   7 -13.984   4.278  10.396
  296   3HZ   LYS   7          3HZ       LYS   7 -15.486   5.054  10.432
  297    H    ARG   8           H        ARG   8 -12.306   1.584   4.762
  298    HA   ARG   8           HA       ARG   8 -10.198   0.447   6.306
  299   1HB   ARG   8          1HB       ARG   8 -11.163  -1.591   5.888
  300   2HB   ARG   8          2HB       ARG   8 -12.536  -0.537   5.604
  301   1HG   ARG   8          1HG       ARG   8 -12.778  -1.505   3.630
  302   2HG   ARG   8          2HG       ARG   8 -11.266  -0.762   3.124
  303   1HD   ARG   8          1HD       ARG   8 -10.362  -2.780   2.946
  304   2HD   ARG   8          2HD       ARG   8 -10.603  -3.028   4.674
  305    HE   ARG   8           HE       ARG   8 -12.201  -4.097   2.517
  306   1HH1  ARG   8          1HH1      ARG   8 -12.056  -3.374   5.930
  307   2HH1  ARG   8          2HH1      ARG   8 -13.280  -4.525   6.350
  308   1HH2  ARG   8          1HH2      ARG   8 -13.810  -5.607   3.070
  309   2HH2  ARG   8          2HH2      ARG   8 -14.274  -5.792   4.729
  310    H    VAL   9           H        VAL   9 -10.556   1.364   2.971
  311    HA   VAL   9           HA       VAL   9  -8.396  -0.143   1.916
  312    HB   VAL   9           HB       VAL   9  -9.614   2.440   0.911
  313   1HG1  VAL   9          1HG1      VAL   9  -7.284   1.844   0.068
  314   2HG1  VAL   9          2HG1      VAL   9  -8.046   0.461  -0.719
  315   3HG1  VAL   9          3HG1      VAL   9  -8.535   2.101  -1.146
  316   1HG2  VAL   9          1HG2      VAL   9 -10.864   0.053   1.141
  317   2HG2  VAL   9          2HG2      VAL   9 -11.229   1.246  -0.105
  318   3HG2  VAL   9          3HG2      VAL   9 -10.151  -0.103  -0.464
  319    H    GLN  10           H        GLN  10  -8.650   2.957   3.519
  320    HA   GLN  10           HA       GLN  10  -6.164   4.041   2.844
  321   1HB   GLN  10          1HB       GLN  10  -7.669   4.356   5.447
  322   2HB   GLN  10          2HB       GLN  10  -6.409   5.424   4.845
  323   1HG   GLN  10          1HG       GLN  10  -7.830   6.005   2.934
  324   2HG   GLN  10          2HG       GLN  10  -9.098   4.962   3.577
  325   1HE2  GLN  10          2HE2      GLN  10  -8.719   7.966   3.107
  326   2HE2  GLN  10          1HE2      GLN  10  -9.272   8.675   4.583
  327    H    ALA  11           H        ALA  11  -7.077   1.665   5.252
  328    HA   ALA  11           HA       ALA  11  -4.693   1.664   6.747
  329   1HB   ALA  11          1HB       ALA  11  -6.849  -0.382   6.335
  330   2HB   ALA  11          2HB       ALA  11  -5.445  -0.700   7.354
  331   3HB   ALA  11          3HB       ALA  11  -6.536   0.629   7.747
  332    H    LEU  12           H        LEU  12  -5.305   0.559   3.571
  333    HA   LEU  12           HA       LEU  12  -3.042  -1.298   3.642
  334   1HB   LEU  12          1HB       LEU  12  -4.566  -0.822   1.136
  335   2HB   LEU  12          2HB       LEU  12  -3.865  -2.301   1.751
  336    HG   LEU  12           HG       LEU  12  -6.237  -1.150   3.157
  337   1HD1  LEU  12          1HD1      LEU  12  -6.292  -2.675   0.565
  338   2HD1  LEU  12          2HD1      LEU  12  -7.677  -2.505   1.644
  339   3HD1  LEU  12          3HD1      LEU  12  -6.967  -1.079   0.890
  340   1HD2  LEU  12          1HD2      LEU  12  -4.991  -3.845   2.773
  341   2HD2  LEU  12          2HD2      LEU  12  -5.390  -3.004   4.270
  342   3HD2  LEU  12          3HD2      LEU  12  -6.675  -3.690   3.276
  343    H    LYS  13           H        LYS  13  -4.169   1.618   1.989
  344    HA   LYS  13           HA       LYS  13  -1.688   1.892   0.532
  345   1HB   LYS  13          1HB       LYS  13  -2.729   3.985  -0.334
  346   2HB   LYS  13          2HB       LYS  13  -3.663   2.529  -0.642
  347   1HG   LYS  13          1HG       LYS  13  -5.402   3.643   0.178
  348   2HG   LYS  13          2HG       LYS  13  -4.662   3.416   1.765
  349   1HD   LYS  13          1HD       LYS  13  -4.552   5.630   1.940
  350   2HD   LYS  13          2HD       LYS  13  -3.335   5.595   0.662
  351   1HE   LYS  13          1HE       LYS  13  -5.340   5.597  -0.953
  352   2HE   LYS  13          2HE       LYS  13  -6.281   6.116   0.446
  353   1HZ   LYS  13          1HZ       LYS  13  -3.827   7.587  -0.049
  354   2HZ   LYS  13          2HZ       LYS  13  -5.048   7.798  -1.199
  355   3HZ   LYS  13          3HZ       LYS  13  -5.349   8.148   0.429
  356    H    ALA  14           H        ALA  14  -3.063   3.111   3.478
  357    HA   ALA  14           HA       ALA  14  -1.697   5.499   3.808
  358   1HB   ALA  14          1HB       ALA  14  -2.540   3.430   5.820
  359   2HB   ALA  14          2HB       ALA  14  -1.806   4.964   6.284
  360   3HB   ALA  14          3HB       ALA  14  -3.338   4.948   5.411
  361    H    ARG  15           H        ARG  15  -0.634   2.221   4.667
  362    HA   ARG  15           HA       ARG  15   2.002   3.165   5.399
  363   1HB   ARG  15          1HB       ARG  15   0.571   1.100   6.308
  364   2HB   ARG  15          2HB       ARG  15   1.445   0.266   5.031
  365   1HG   ARG  15          1HG       ARG  15   2.735  -0.040   6.956
  366   2HG   ARG  15          2HG       ARG  15   3.559   1.234   6.055
  367   1HD   ARG  15          1HD       ARG  15   3.462   1.813   8.402
  368   2HD   ARG  15          2HD       ARG  15   2.457   2.919   7.467
  369    HE   ARG  15           HE       ARG  15   1.016   0.680   8.550
  370   1HH1  ARG  15          1HH1      ARG  15   2.181   3.908   9.181
  371   2HH1  ARG  15          2HH1      ARG  15   0.992   4.234  10.397
  372   1HH2  ARG  15          1HH2      ARG  15  -0.550   1.107  10.148
  373   2HH2  ARG  15          2HH2      ARG  15  -0.558   2.644  10.946
  374    H    ASN  16           H        ASN  16   0.521   1.252   2.813
  375    HA   ASN  16           HA       ASN  16   2.820   0.555   1.409
  376   1HB   ASN  16          1HB       ASN  16   0.575  -0.352   0.932
  377   2HB   ASN  16          2HB       ASN  16   0.095   1.204   0.271
  378   1HD2  ASN  16          2HD2      ASN  16  -0.393  -0.076  -1.635
  379   2HD2  ASN  16          1HD2      ASN  16   0.873  -0.424  -2.758
  380    H    TYR  17           H        TYR  17   0.702   3.385   0.913
  381    HA   TYR  17           HA       TYR  17   2.075   4.574  -1.172
  382   1HB   TYR  17          1HB       TYR  17  -0.065   5.437  -0.446
  383   2HB   TYR  17          2HB       TYR  17   0.599   5.880   1.123
  384    HD1  TYR  17           HD1      TYR  17   1.400   6.505  -2.481
  385    HD2  TYR  17           HD2      TYR  17   0.995   8.126   1.432
  386    HE1  TYR  17           HE1      TYR  17   1.963   8.735  -3.352
  387    HE2  TYR  17           HE2      TYR  17   1.556  10.359   0.572
  388    HH   TYR  17           HH       TYR  17   1.392  11.541  -1.731
  389    H    ALA  18           H        ALA  18   2.757   4.642   2.275
  390    HA   ALA  18           HA       ALA  18   4.779   6.627   2.172
  391   1HB   ALA  18          1HB       ALA  18   3.558   5.898   4.235
  392   2HB   ALA  18          2HB       ALA  18   4.524   4.422   4.212
  393   3HB   ALA  18          3HB       ALA  18   5.311   5.987   4.412
  394    H    LEU  19           H        LEU  19   4.942   3.060   2.275
  395    HA   LEU  19           HA       LEU  19   7.751   2.959   2.049
  396   1HB   LEU  19          1HB       LEU  19   6.120   0.754   0.921
  397   2HB   LEU  19          2HB       LEU  19   7.575   0.684   1.889
  398    HG   LEU  19           HG       LEU  19   4.739   0.975   2.788
  399   1HD1  LEU  19          1HD1      LEU  19   6.020  -1.203   2.568
  400   2HD1  LEU  19          2HD1      LEU  19   6.976  -0.645   3.940
  401   3HD1  LEU  19          3HD1      LEU  19   5.237  -0.881   4.116
  402   1HD2  LEU  19          1HD2      LEU  19   7.135   2.176   4.043
  403   2HD2  LEU  19          2HD2      LEU  19   5.438   2.640   4.163
  404   3HD2  LEU  19          3HD2      LEU  19   6.049   1.282   5.106
  405    H    LYS  20           H        LYS  20   5.183   2.479  -0.345
  406    HA   LYS  20           HA       LYS  20   6.546   2.032  -2.639
  407   1HB   LYS  20          1HB       LYS  20   3.990   2.746  -2.081
  408   2HB   LYS  20          2HB       LYS  20   4.550   4.192  -2.910
  409   1HG   LYS  20          1HG       LYS  20   5.368   2.609  -4.741
  410   2HG   LYS  20          2HG       LYS  20   4.367   1.388  -3.953
  411   1HD   LYS  20          1HD       LYS  20   2.471   3.099  -4.120
  412   2HD   LYS  20          2HD       LYS  20   3.514   3.958  -5.254
  413   1HE   LYS  20          1HE       LYS  20   3.663   1.470  -6.271
  414   2HE   LYS  20          2HE       LYS  20   2.046   1.417  -5.570
  415   1HZ   LYS  20          1HZ       LYS  20   1.919   3.742  -6.810
  416   2HZ   LYS  20          2HZ       LYS  20   3.049   2.980  -7.815
  417   3HZ   LYS  20          3HZ       LYS  20   1.526   2.286  -7.574
  418    H    GLN  21           H        GLN  21   6.496   5.018  -0.830
  419    HA   GLN  21           HA       GLN  21   7.779   6.578  -2.873
  420   1HB   GLN  21          1HB       GLN  21   6.320   7.723  -1.359
  421   2HB   GLN  21          2HB       GLN  21   7.187   7.102   0.038
  422   1HG   GLN  21          1HG       GLN  21   9.033   8.507  -1.602
  423   2HG   GLN  21          2HG       GLN  21   7.604   9.515  -1.382
  424   1HE2  GLN  21          2HE2      GLN  21   9.931   7.545   0.406
  425   2HE2  GLN  21          1HE2      GLN  21   9.926   8.518   1.834
  426    H    LYS  22           H        LYS  22   8.779   5.063   0.182
  427    HA   LYS  22           HA       LYS  22  11.533   5.877  -0.146
  428   1HB   LYS  22          1HB       LYS  22  11.850   4.339   1.878
  429   2HB   LYS  22          2HB       LYS  22  10.848   5.764   2.105
  430   1HG   LYS  22          1HG       LYS  22   9.014   4.565   2.529
  431   2HG   LYS  22          2HG       LYS  22   9.359   3.416   1.248
  432   1HD   LYS  22          1HD       LYS  22  10.406   3.400   4.056
  433   2HD   LYS  22          2HD       LYS  22   9.372   2.212   3.284
  434   1HE   LYS  22          1HE       LYS  22  12.270   2.765   2.670
  435   2HE   LYS  22          2HE       LYS  22  11.597   1.326   3.428
  436   1HZ   LYS  22          1HZ       LYS  22  10.313   1.749   0.964
  437   2HZ   LYS  22          2HZ       LYS  22  11.984   1.802   0.714
  438   3HZ   LYS  22          3HZ       LYS  22  11.281   0.446   1.438
  439    H    VAL  23           H        VAL  23   9.587   3.089  -0.868
  440    HA   VAL  23           HA       VAL  23  11.354   1.016  -0.984
  441    HB   VAL  23           HB       VAL  23   9.196   1.645  -3.003
  442   1HG1  VAL  23          1HG1      VAL  23  10.777   0.001  -3.883
  443   2HG1  VAL  23          2HG1      VAL  23  10.585  -0.972  -2.424
  444   3HG1  VAL  23          3HG1      VAL  23   9.222  -0.746  -3.519
  445   1HG2  VAL  23          1HG2      VAL  23   8.966   1.096  -0.302
  446   2HG2  VAL  23          2HG2      VAL  23   7.696   0.928  -1.513
  447   3HG2  VAL  23          3HG2      VAL  23   8.683  -0.465  -1.073
  448    H    GLN  24           H        GLN  24  10.642   3.162  -3.751
  449    HA   GLN  24           HA       GLN  24  12.630   2.204  -5.448
  450   1HB   GLN  24          1HB       GLN  24  12.419   4.387  -6.621
  451   2HB   GLN  24          2HB       GLN  24  10.872   3.619  -6.293
  452   1HG   GLN  24          1HG       GLN  24  10.682   5.087  -4.270
  453   2HG   GLN  24          2HG       GLN  24  12.107   5.948  -4.850
  454   1HE2  GLN  24          2HE2      GLN  24  11.907   6.607  -7.233
  455   2HE2  GLN  24          1HE2      GLN  24  10.408   7.338  -7.683
  456    H    ALA  25           H        ALA  25  12.769   4.667  -2.936
  457    HA   ALA  25           HA       ALA  25  15.292   5.732  -3.517
  458   1HB   ALA  25          1HB       ALA  25  13.498   6.505  -1.817
  459   2HB   ALA  25          2HB       ALA  25  14.330   5.424  -0.700
  460   3HB   ALA  25          3HB       ALA  25  15.201   6.766  -1.443
  461    H    LEU  26           H        LEU  26  14.343   2.936  -1.575
  462    HA   LEU  26           HA       LEU  26  16.857   2.321  -0.499
  463   1HB   LEU  26          1HB       LEU  26  14.541   0.522  -1.208
  464   2HB   LEU  26          2HB       LEU  26  15.939  -0.001  -0.290
  465    HG   LEU  26           HG       LEU  26  13.996   2.144   0.567
  466   1HD1  LEU  26          1HD1      LEU  26  14.352  -0.694   1.514
  467   2HD1  LEU  26          2HD1      LEU  26  13.289   0.506   2.247
  468   3HD1  LEU  26          3HD1      LEU  26  12.981  -0.060   0.605
  469   1HD2  LEU  26          1HD2      LEU  26  16.623   1.286   1.549
  470   2HD2  LEU  26          2HD2      LEU  26  15.746   2.793   1.814
  471   3HD2  LEU  26          3HD2      LEU  26  15.366   1.370   2.784
  472    H    ARG  27           H        ARG  27  15.233   0.662  -3.202
  473    HA   ARG  27           HA       ARG  27  17.469  -0.756  -4.081
  474   1HB   ARG  27          1HB       ARG  27  16.198  -0.920  -6.260
  475   2HB   ARG  27          2HB       ARG  27  15.330  -1.457  -4.827
  476   1HG   ARG  27          1HG       ARG  27  14.660   1.210  -5.016
  477   2HG   ARG  27          2HG       ARG  27  14.706   0.672  -6.697
  478   1HD   ARG  27          1HD       ARG  27  13.374  -1.384  -5.587
  479   2HD   ARG  27          2HD       ARG  27  12.874  -0.083  -4.508
  480    HE   ARG  27           HE       ARG  27  12.518   0.923  -7.026
  481   1HH1  ARG  27          1HH1      ARG  27  11.366  -1.879  -5.295
  482   2HH1  ARG  27          2HH1      ARG  27   9.868  -1.953  -6.160
  483   1HH2  ARG  27          1HH2      ARG  27  10.549   0.829  -8.166
  484   2HH2  ARG  27          2HH2      ARG  27   9.404  -0.416  -7.791
  485    H    HIS  28           H        HIS  28  16.624   2.561  -4.509
  486    HA   HIS  28           HA       HIS  28  17.932   3.177  -6.890
  487   1HB   HIS  28          1HB       HIS  28  16.666   4.606  -4.829
  488   2HB   HIS  28          2HB       HIS  28  18.286   5.283  -4.942
  489    HD1  HIS  28           HD1      HIS  28  15.111   6.016  -6.170
  490    HD2  HIS  28           HD2      HIS  28  18.825   5.613  -7.987
  491    HE1  HIS  28           HE1      HIS  28  14.968   7.268  -8.363
  492    H    LYS  29           H        LYS  29  19.199   2.617  -3.680
  493    HA   LYS  29           HA       LYS  29  21.742   3.743  -3.971
  494   1HB   LYS  29          1HB       LYS  29  20.530   2.650  -1.906
  495   2HB   LYS  29          2HB       LYS  29  21.378   1.203  -2.433
  496   1HG   LYS  29          1HG       LYS  29  23.504   2.520  -2.335
  497   2HG   LYS  29          2HG       LYS  29  22.581   3.824  -1.584
  498   1HD   LYS  29          1HD       LYS  29  23.142   2.811   0.343
  499   2HD   LYS  29          2HD       LYS  29  21.835   1.696  -0.064
  500   1HE   LYS  29          1HE       LYS  29  23.249   0.005  -0.489
  501   2HE   LYS  29          2HE       LYS  29  24.405   1.050  -1.314
  502   1HZ   LYS  29          1HZ       LYS  29  24.208   1.386   1.567
  503   2HZ   LYS  29          2HZ       LYS  29  24.879  -0.075   1.040
  504   3HZ   LYS  29          3HZ       LYS  29  25.572   1.392   0.564
  505    H    GLY  30           H        GLY  30  23.350   3.265  -5.303
  506   1HA   GLY  30          1HA       GLY  30  24.707   1.032  -5.757
  507   2HA   GLY  30          2HA       GLY  30  23.296   0.739  -6.762
  508   1HN   NH2  31          1HN       NH2  31  22.770   3.009  -7.988
  509   2HN   NH2  31          2HN       NH2  31  24.110   3.566  -8.926
  Start of MODEL   10
    1   1H    ACE   0          1H        ACE   0 -19.486   7.907  -5.355
    2   2H    ACE   0          2H        ACE   0 -18.146   7.502  -6.430
    3   3H    ACE   0          3H        ACE   0 -18.026   7.161  -4.704
    4    H    GLU   1           H        GLU   1 -17.634   5.211  -6.710
    5    HA   GLU   1           HA       GLU   1 -20.061   3.612  -6.804
    6   1HB   GLU   1          1HB       GLU   1 -18.111   3.934  -8.625
    7   2HB   GLU   1          2HB       GLU   1 -17.486   2.517  -7.794
    8   1HG   GLU   1          1HG       GLU   1 -20.024   1.738  -8.147
    9   2HG   GLU   1          2HG       GLU   1 -19.846   2.811  -9.536
   10    H    VAL   2           H        VAL   2 -20.477   1.904  -5.546
   11    HA   VAL   2           HA       VAL   2 -18.968   1.439  -3.203
   12    HB   VAL   2           HB       VAL   2 -21.033  -0.415  -4.392
   13   1HG1  VAL   2          1HG1      VAL   2 -19.724  -1.336  -2.534
   14   2HG1  VAL   2          2HG1      VAL   2 -20.178   0.047  -1.536
   15   3HG1  VAL   2          3HG1      VAL   2 -21.411  -1.088  -2.086
   16   1HG2  VAL   2          1HG2      VAL   2 -21.360   2.099  -2.776
   17   2HG2  VAL   2          2HG2      VAL   2 -22.095   1.689  -4.325
   18   3HG2  VAL   2          3HG2      VAL   2 -22.607   0.854  -2.858
   19    H    ALA   3           H        ALA   3 -19.378  -0.477  -6.174
   20    HA   ALA   3           HA       ALA   3 -17.764  -2.639  -5.437
   21   1HB   ALA   3          1HB       ALA   3 -19.327  -2.137  -7.550
   22   2HB   ALA   3          2HB       ALA   3 -17.749  -1.843  -8.283
   23   3HB   ALA   3          3HB       ALA   3 -18.100  -3.405  -7.541
   24    H    GLN   4           H        GLN   4 -16.954   0.510  -6.734
   25    HA   GLN   4           HA       GLN   4 -14.339   0.016  -7.582
   26   1HB   GLN   4          1HB       GLN   4 -15.831   2.434  -6.672
   27   2HB   GLN   4          2HB       GLN   4 -14.083   2.544  -6.831
   28   1HG   GLN   4          1HG       GLN   4 -14.292   1.772  -9.171
   29   2HG   GLN   4          2HG       GLN   4 -16.046   1.805  -8.988
   30   1HE2  GLN   4          2HE2      GLN   4 -15.480   3.268 -10.932
   31   2HE2  GLN   4          1HE2      GLN   4 -15.350   4.952 -10.572
   32    H    LEU   5           H        LEU   5 -15.587   0.906  -4.391
   33    HA   LEU   5           HA       LEU   5 -13.020   1.086  -3.166
   34   1HB   LEU   5          1HB       LEU   5 -15.759   0.721  -1.950
   35   2HB   LEU   5          2HB       LEU   5 -14.302   1.079  -1.043
   36    HG   LEU   5           HG       LEU   5 -15.474   2.885  -3.157
   37   1HD1  LEU   5          1HD1      LEU   5 -15.901   2.689  -0.219
   38   2HD1  LEU   5          2HD1      LEU   5 -15.854   4.285  -0.968
   39   3HD1  LEU   5          3HD1      LEU   5 -17.040   3.095  -1.503
   40   1HD2  LEU   5          1HD2      LEU   5 -13.022   3.051  -2.785
   41   2HD2  LEU   5          2HD2      LEU   5 -13.906   4.518  -2.366
   42   3HD2  LEU   5          3HD2      LEU   5 -13.346   3.432  -1.094
   43    H    GLU   6           H        GLU   6 -15.355  -1.480  -3.632
   44    HA   GLU   6           HA       GLU   6 -14.431  -3.340  -1.771
   45   1HB   GLU   6          1HB       GLU   6 -15.899  -3.501  -4.356
   46   2HB   GLU   6          2HB       GLU   6 -15.234  -4.990  -3.703
   47   1HG   GLU   6          1HG       GLU   6 -16.429  -4.260  -1.518
   48   2HG   GLU   6          2HG       GLU   6 -17.368  -3.224  -2.592
   49    H    LYS   7           H        LYS   7 -13.473  -2.879  -5.162
   50    HA   LYS   7           HA       LYS   7 -11.416  -4.877  -4.983
   51   1HB   LYS   7          1HB       LYS   7 -12.294  -2.948  -7.111
   52   2HB   LYS   7          2HB       LYS   7 -10.796  -3.854  -7.283
   53   1HG   LYS   7          1HG       LYS   7 -12.360  -5.147  -8.412
   54   2HG   LYS   7          2HG       LYS   7 -12.230  -5.932  -6.837
   55   1HD   LYS   7          1HD       LYS   7 -14.224  -3.957  -6.594
   56   2HD   LYS   7          2HD       LYS   7 -14.534  -4.802  -8.111
   57   1HE   LYS   7          1HE       LYS   7 -13.859  -6.528  -5.828
   58   2HE   LYS   7          2HE       LYS   7 -15.380  -5.648  -5.677
   59   1HZ   LYS   7          1HZ       LYS   7 -14.724  -7.174  -8.121
   60   2HZ   LYS   7          2HZ       LYS   7 -15.431  -7.926  -6.781
   61   3HZ   LYS   7          3HZ       LYS   7 -16.240  -6.665  -7.568
   62    H    GLU   8           H        GLU   8 -11.645  -1.441  -4.550
   63    HA   GLU   8           HA       GLU   8  -9.011  -0.654  -4.958
   64   1HB   GLU   8          1HB       GLU   8 -11.010   0.816  -4.452
   65   2HB   GLU   8          2HB       GLU   8 -10.777   0.409  -2.757
   66   1HG   GLU   8          1HG       GLU   8  -8.506   1.349  -2.871
   67   2HG   GLU   8          2HG       GLU   8  -8.803   1.810  -4.546
   68    H    VAL   9           H        VAL   9 -10.450  -2.453  -2.355
   69    HA   VAL   9           HA       VAL   9  -8.280  -2.126  -0.516
   70    HB   VAL   9           HB       VAL   9 -10.565  -4.101  -0.596
   71   1HG1  VAL   9          1HG1      VAL   9  -8.452  -3.716   1.521
   72   2HG1  VAL   9          2HG1      VAL   9  -9.943  -4.627   1.753
   73   3HG1  VAL   9          3HG1      VAL   9  -8.753  -5.169   0.570
   74   1HG2  VAL   9          1HG2      VAL   9 -11.199  -1.778  -0.183
   75   2HG2  VAL   9          2HG2      VAL   9 -11.442  -2.772   1.255
   76   3HG2  VAL   9          3HG2      VAL   9 -10.047  -1.698   1.151
   77    H    ALA  10           H        ALA  10  -9.437  -4.930  -2.400
   78    HA   ALA  10           HA       ALA  10  -7.305  -6.633  -1.891
   79   1HB   ALA  10          1HB       ALA  10  -9.373  -6.434  -3.997
   80   2HB   ALA  10          2HB       ALA  10  -7.967  -7.438  -4.354
   81   3HB   ALA  10          3HB       ALA  10  -8.958  -7.781  -2.936
   82    H    GLN  11           H        GLN  11  -7.563  -3.936  -4.079
   83    HA   GLN  11           HA       GLN  11  -5.387  -4.494  -5.763
   84   1HB   GLN  11          1HB       GLN  11  -7.050  -2.760  -6.256
   85   2HB   GLN  11          2HB       GLN  11  -6.481  -1.815  -4.886
   86   1HG   GLN  11          1HG       GLN  11  -5.442  -0.790  -6.662
   87   2HG   GLN  11          2HG       GLN  11  -4.194  -1.895  -6.087
   88   1HE2  GLN  11          2HE2      GLN  11  -5.493  -0.704  -8.780
   89   2HE2  GLN  11          1HE2      GLN  11  -5.256  -2.027  -9.865
   90    H    LEU  12           H        LEU  12  -5.537  -2.428  -2.850
   91    HA   LEU  12           HA       LEU  12  -2.722  -1.991  -2.795
   92   1HB   LEU  12          1HB       LEU  12  -4.722  -1.677  -0.557
   93   2HB   LEU  12          2HB       LEU  12  -3.104  -1.003  -0.602
   94    HG   LEU  12           HG       LEU  12  -5.259  -0.266  -2.579
   95   1HD1  LEU  12          1HD1      LEU  12  -4.457   1.023   0.018
   96   2HD1  LEU  12          2HD1      LEU  12  -5.353   1.862  -1.247
   97   3HD1  LEU  12          3HD1      LEU  12  -6.052   0.449  -0.460
   98   1HD2  LEU  12          1HD2      LEU  12  -2.769   0.026  -3.112
   99   2HD2  LEU  12          2HD2      LEU  12  -3.819   1.430  -3.294
  100   3HD2  LEU  12          3HD2      LEU  12  -2.787   1.279  -1.872
  101    H    GLU  13           H        GLU  13  -4.843  -4.413  -1.454
  102    HA   GLU  13           HA       GLU  13  -3.131  -5.422   0.535
  103   1HB   GLU  13          1HB       GLU  13  -5.440  -6.542  -1.009
  104   2HB   GLU  13          2HB       GLU  13  -4.478  -7.613   0.000
  105   1HG   GLU  13          1HG       GLU  13  -4.982  -6.309   1.955
  106   2HG   GLU  13          2HG       GLU  13  -5.822  -5.106   0.978
  107    H    ALA  14           H        ALA  14  -3.178  -5.804  -2.915
  108    HA   ALA  14           HA       ALA  14  -1.312  -8.034  -2.857
  109   1HB   ALA  14          1HB       ALA  14  -3.275  -7.431  -4.594
  110   2HB   ALA  14          2HB       ALA  14  -1.900  -6.694  -5.419
  111   3HB   ALA  14          3HB       ALA  14  -1.870  -8.411  -5.014
  112    H    GLU  15           H        GLU  15  -1.341  -4.584  -3.390
  113    HA   GLU  15           HA       GLU  15   1.401  -4.544  -4.346
  114   1HB   GLU  15          1HB       GLU  15  -0.571  -2.961  -5.028
  115   2HB   GLU  15          2HB       GLU  15  -0.133  -2.091  -3.564
  116   1HG   GLU  15          1HG       GLU  15   1.311  -0.982  -4.832
  117   2HG   GLU  15          2HG       GLU  15   2.288  -2.449  -4.805
  118    H    ASN  16           H        ASN  16  -0.368  -3.102  -1.601
  119    HA   ASN  16           HA       ASN  16   1.769  -2.123  -0.166
  120   1HB   ASN  16          1HB       ASN  16  -0.567  -1.698   0.434
  121   2HB   ASN  16          2HB       ASN  16  -0.768  -3.379   0.911
  122   1HD2  ASN  16          2HD2      ASN  16  -1.488  -2.113   2.868
  123   2HD2  ASN  16          1HD2      ASN  16  -0.290  -1.795   4.067
  124    H    TYR  17           H        TYR  17   0.736  -5.422  -0.550
  125    HA   TYR  17           HA       TYR  17   2.454  -6.382   1.591
  126   1HB   TYR  17          1HB       TYR  17   0.389  -7.545   1.416
  127   2HB   TYR  17          2HB       TYR  17   0.560  -7.741  -0.324
  128    HD1  TYR  17           HD1      TYR  17   2.133  -8.756   2.898
  129    HD2  TYR  17           HD2      TYR  17   1.437  -9.718  -1.186
  130    HE1  TYR  17           HE1      TYR  17   3.140 -10.971   3.255
  131    HE2  TYR  17           HE2      TYR  17   2.441 -11.936  -0.842
  132    HH   TYR  17           HH       TYR  17   3.939 -13.067   0.658
  133    H    GLN  18           H        GLN  18   2.356  -6.288  -1.920
  134    HA   GLN  18           HA       GLN  18   4.525  -8.047  -2.373
  135   1HB   GLN  18          1HB       GLN  18   2.911  -6.168  -3.966
  136   2HB   GLN  18          2HB       GLN  18   4.542  -6.434  -4.568
  137   1HG   GLN  18          1HG       GLN  18   3.222  -8.911  -3.839
  138   2HG   GLN  18          2HG       GLN  18   2.329  -8.002  -5.058
  139   1HE2  GLN  18          2HE2      GLN  18   5.131  -9.860  -4.365
  140   2HE2  GLN  18          1HE2      GLN  18   5.781  -9.890  -5.965
  141    H    LEU  19           H        LEU  19   4.370  -4.710  -1.453
  142    HA   LEU  19           HA       LEU  19   7.140  -4.224  -2.198
  143   1HB   LEU  19          1HB       LEU  19   5.136  -2.432  -0.836
  144   2HB   LEU  19          2HB       LEU  19   6.729  -1.945  -1.382
  145    HG   LEU  19           HG       LEU  19   4.747  -3.069  -3.330
  146   1HD1  LEU  19          1HD1      LEU  19   4.855  -0.267  -2.251
  147   2HD1  LEU  19          2HD1      LEU  19   4.156  -0.663  -3.821
  148   3HD1  LEU  19          3HD1      LEU  19   3.466  -1.350  -2.351
  149   1HD2  LEU  19          1HD2      LEU  19   7.350  -2.405  -3.599
  150   2HD2  LEU  19          2HD2      LEU  19   6.172  -2.335  -4.910
  151   3HD2  LEU  19          3HD2      LEU  19   6.583  -0.873  -4.013
  152    H    GLU  20           H        GLU  20   5.150  -4.323   0.747
  153    HA   GLU  20           HA       GLU  20   6.981  -3.692   2.671
  154   1HB   GLU  20          1HB       GLU  20   4.489  -4.473   2.839
  155   2HB   GLU  20          2HB       GLU  20   5.196  -6.058   3.107
  156   1HG   GLU  20          1HG       GLU  20   5.493  -3.589   4.787
  157   2HG   GLU  20          2HG       GLU  20   4.778  -5.138   5.232
  158    H    GLN  21           H        GLN  21   6.596  -6.822   1.064
  159    HA   GLN  21           HA       GLN  21   8.590  -8.142   2.613
  160   1HB   GLN  21          1HB       GLN  21   6.632  -8.963   0.880
  161   2HB   GLN  21          2HB       GLN  21   8.086  -9.213  -0.076
  162   1HG   GLN  21          1HG       GLN  21   8.922 -10.351   2.157
  163   2HG   GLN  21          2HG       GLN  21   7.189 -10.556   2.409
  164   1HE2  GLN  21          2HE2      GLN  21   6.149 -11.168   0.094
  165   2HE2  GLN  21          1HE2      GLN  21   6.865 -12.579  -0.599
  166    H    GLU  22           H        GLU  22   8.648  -6.130  -0.212
  167    HA   GLU  22           HA       GLU  22  11.354  -6.934  -0.919
  168   1HB   GLU  22          1HB       GLU  22   9.262  -6.052  -2.427
  169   2HB   GLU  22          2HB       GLU  22  10.187  -4.569  -2.236
  170   1HG   GLU  22          1HG       GLU  22  11.251  -5.311  -4.063
  171   2HG   GLU  22          2HG       GLU  22  12.162  -6.268  -2.896
  172    H    VAL  23           H        VAL  23   9.690  -4.391   0.763
  173    HA   VAL  23           HA       VAL  23  11.909  -2.565   0.775
  174    HB   VAL  23           HB       VAL  23   9.554  -2.497   2.653
  175   1HG1  VAL  23          1HG1      VAL  23  11.747  -0.955   2.648
  176   2HG1  VAL  23          2HG1      VAL  23  10.750  -0.054   1.505
  177   3HG1  VAL  23          3HG1      VAL  23  10.156  -0.372   3.135
  178   1HG2  VAL  23          1HG2      VAL  23   9.470  -2.370  -0.189
  179   2HG2  VAL  23          2HG2      VAL  23   8.157  -2.135   0.965
  180   3HG2  VAL  23          3HG2      VAL  23   9.132  -0.760   0.449
  181    H    ALA  24           H        ALA  24  10.674  -5.089   2.853
  182    HA   ALA  24           HA       ALA  24  11.983  -4.474   5.234
  183   1HB   ALA  24          1HB       ALA  24  10.274  -6.194   5.089
  184   2HB   ALA  24          2HB       ALA  24  11.339  -7.193   4.101
  185   3HB   ALA  24          3HB       ALA  24  11.755  -6.855   5.780
  186    H    GLN  25           H        GLN  25  13.206  -5.840   2.274
  187    HA   GLN  25           HA       GLN  25  15.769  -6.469   3.545
  188   1HB   GLN  25          1HB       GLN  25  14.640  -7.120   0.823
  189   2HB   GLN  25          2HB       GLN  25  16.303  -7.460   1.280
  190   1HG   GLN  25          1HG       GLN  25  15.645  -9.392   2.122
  191   2HG   GLN  25          2HG       GLN  25  14.687  -8.521   3.319
  192   1HE2  GLN  25          2HE2      GLN  25  13.184 -10.242   3.286
  193   2HE2  GLN  25          1HE2      GLN  25  12.036 -10.396   2.005
  194    H    LEU  26           H        LEU  26  14.332  -4.413   1.068
  195    HA   LEU  26           HA       LEU  26  16.698  -3.329   0.024
  196   1HB   LEU  26          1HB       LEU  26  13.915  -2.191   0.237
  197   2HB   LEU  26          2HB       LEU  26  15.215  -1.392  -0.628
  198    HG   LEU  26           HG       LEU  26  14.462  -4.205  -1.330
  199   1HD1  LEU  26          1HD1      LEU  26  12.400  -2.774  -1.290
  200   2HD1  LEU  26          2HD1      LEU  26  13.158  -1.773  -2.529
  201   3HD1  LEU  26          3HD1      LEU  26  12.803  -3.469  -2.861
  202   1HD2  LEU  26          1HD2      LEU  26  16.140  -2.076  -2.404
  203   2HD2  LEU  26          2HD2      LEU  26  16.188  -3.814  -2.692
  204   3HD2  LEU  26          3HD2      LEU  26  15.073  -2.799  -3.606
  205    H    GLU  27           H        GLU  27  14.681  -2.325   2.753
  206    HA   GLU  27           HA       GLU  27  16.382  -0.056   3.328
  207   1HB   GLU  27          1HB       GLU  27  14.858   0.406   5.145
  208   2HB   GLU  27          2HB       GLU  27  13.935   0.039   3.695
  209   1HG   GLU  27          1HG       GLU  27  12.818  -1.499   4.815
  210   2HG   GLU  27          2HG       GLU  27  14.315  -2.397   5.056
  211    H    HIS  28           H        HIS  28  16.296  -3.371   4.139
  212    HA   HIS  28           HA       HIS  28  17.268  -3.452   6.728
  213   1HB   HIS  28          1HB       HIS  28  16.593  -5.394   5.209
  214   2HB   HIS  28          2HB       HIS  28  18.225  -5.311   4.556
  215    HD1  HIS  28           HD1      HIS  28  17.044  -5.189   8.189
  216    HD2  HIS  28           HD2      HIS  28  19.518  -7.375   5.666
  217    HE1  HIS  28           HE1      HIS  28  18.198  -6.908   9.641
  218    H    GLU  29           H        GLU  29  19.303  -3.760   3.809
  219    HA   GLU  29           HA       GLU  29  21.639  -2.989   5.345
  220   1HB   GLU  29          1HB       GLU  29  21.329  -4.734   3.310
  221   2HB   GLU  29          2HB       GLU  29  21.838  -3.314   2.407
  222   1HG   GLU  29          1HG       GLU  29  23.905  -4.020   2.835
  223   2HG   GLU  29          2HG       GLU  29  23.644  -3.350   4.444
  224    H    GLY  30           H        GLY  30  21.485  -0.836   5.826
  225   1HA   GLY  30          1HA       GLY  30  22.260   1.018   3.834
  226   2HA   GLY  30          2HA       GLY  30  20.545   1.196   4.167
  227   1HN   NH2  31          1HN       NH2  31  19.926   1.619   6.403
  228   2HN   NH2  31          2HN       NH2  31  20.993   2.531   7.410
  229   1H    ACE   0          1H        ACE   0 -17.823  -3.020   4.174
  230   2H    ACE   0          2H        ACE   0 -18.144  -4.248   2.951
  231   3H    ACE   0          3H        ACE   0 -19.379  -3.850   4.145
  232    H    GLU   1           H        GLU   1 -19.641  -1.241   4.168
  233    HA   GLU   1           HA       GLU   1 -20.581  -0.614   1.492
  234   1HB   GLU   1          1HB       GLU   1 -21.027   0.677   4.179
  235   2HB   GLU   1          2HB       GLU   1 -21.613   1.384   2.681
  236   1HG   GLU   1          1HG       GLU   1 -23.320  -0.044   2.526
  237   2HG   GLU   1          2HG       GLU   1 -22.339  -1.423   3.021
  238    H    VAL   2           H        VAL   2 -20.507   1.987   1.184
  239    HA   VAL   2           HA       VAL   2 -18.064   2.642   0.198
  240    HB   VAL   2           HB       VAL   2 -19.855   4.692   1.485
  241   1HG1  VAL   2          1HG1      VAL   2 -17.444   5.063   0.345
  242   2HG1  VAL   2          2HG1      VAL   2 -18.486   5.209  -1.070
  243   3HG1  VAL   2          3HG1      VAL   2 -18.735   6.263   0.321
  244   1HG2  VAL   2          1HG2      VAL   2 -20.262   3.003  -0.902
  245   2HG2  VAL   2          2HG2      VAL   2 -21.441   3.766   0.165
  246   3HG2  VAL   2          3HG2      VAL   2 -20.634   4.718  -1.081
  247    H    GLN   3           H        GLN   3 -19.161   4.224   3.154
  248    HA   GLN   3           HA       GLN   3 -16.596   4.991   3.984
  249   1HB   GLN   3          1HB       GLN   3 -19.097   4.627   5.642
  250   2HB   GLN   3          2HB       GLN   3 -17.658   5.500   6.153
  251   1HG   GLN   3          1HG       GLN   3 -18.149   7.314   4.910
  252   2HG   GLN   3          2HG       GLN   3 -18.863   6.366   3.606
  253   1HE2  GLN   3          2HE2      GLN   3 -20.231   8.482   4.060
  254   2HE2  GLN   3          1HE2      GLN   3 -21.641   8.204   5.017
  255    H    ALA   4           H        ALA   4 -18.545   2.153   4.754
  256    HA   ALA   4           HA       ALA   4 -16.942   1.156   6.840
  257   1HB   ALA   4          1HB       ALA   4 -19.264   0.343   5.437
  258   2HB   ALA   4          2HB       ALA   4 -18.138  -1.015   5.454
  259   3HB   ALA   4          3HB       ALA   4 -18.635  -0.263   6.969
  260    H    LEU   5           H        LEU   5 -16.455   1.171   3.421
  261    HA   LEU   5           HA       LEU   5 -14.260  -0.784   3.715
  262   1HB   LEU   5          1HB       LEU   5 -16.111  -0.115   1.491
  263   2HB   LEU   5          2HB       LEU   5 -14.475  -0.554   1.059
  264    HG   LEU   5           HG       LEU   5 -16.188  -2.306   2.807
  265   1HD1  LEU   5          1HD1      LEU   5 -17.179  -1.758   0.498
  266   2HD1  LEU   5          2HD1      LEU   5 -15.848  -2.724  -0.139
  267   3HD1  LEU   5          3HD1      LEU   5 -17.018  -3.451   0.962
  268   1HD2  LEU   5          1HD2      LEU   5 -13.538  -2.478   1.523
  269   2HD2  LEU   5          2HD2      LEU   5 -14.134  -3.219   3.008
  270   3HD2  LEU   5          3HD2      LEU   5 -14.537  -3.931   1.445
  271    H    LYS   6           H        LYS   6 -15.226   2.183   2.136
  272    HA   LYS   6           HA       LYS   6 -12.987   3.121   0.953
  273   1HB   LYS   6          1HB       LYS   6 -15.072   4.305   0.871
  274   2HB   LYS   6          2HB       LYS   6 -15.052   4.555   2.607
  275   1HG   LYS   6          1HG       LYS   6 -14.239   6.576   2.146
  276   2HG   LYS   6          2HG       LYS   6 -12.716   5.760   1.792
  277   1HD   LYS   6          1HD       LYS   6 -13.130   7.088  -0.096
  278   2HD   LYS   6          2HD       LYS   6 -13.628   5.465  -0.577
  279   1HE   LYS   6          1HE       LYS   6 -15.479   6.556  -1.277
  280   2HE   LYS   6          2HE       LYS   6 -15.949   6.370   0.412
  281   1HZ   LYS   6          1HZ       LYS   6 -14.384   8.732  -0.267
  282   2HZ   LYS   6          2HZ       LYS   6 -15.980   8.696  -0.825
  283   3HZ   LYS   6          3HZ       LYS   6 -15.658   8.559   0.831
  284    H    LYS   7           H        LYS   7 -13.674   3.119   4.415
  285    HA   LYS   7           HA       LYS   7 -11.314   4.637   5.067
  286   1HB   LYS   7          1HB       LYS   7 -13.584   3.450   6.552
  287   2HB   LYS   7          2HB       LYS   7 -12.074   3.602   7.442
  288   1HG   LYS   7          1HG       LYS   7 -13.267   5.566   7.894
  289   2HG   LYS   7          2HG       LYS   7 -12.050   6.027   6.702
  290   1HD   LYS   7          1HD       LYS   7 -14.565   5.124   5.519
  291   2HD   LYS   7          2HD       LYS   7 -14.738   6.557   6.534
  292   1HE   LYS   7          1HE       LYS   7 -12.662   6.296   4.368
  293   2HE   LYS   7          2HE       LYS   7 -14.257   6.998   4.102
  294   1HZ   LYS   7          1HZ       LYS   7 -12.715   8.058   6.335
  295   2HZ   LYS   7          2HZ       LYS   7 -12.158   8.441   4.784
  296   3HZ   LYS   7          3HZ       LYS   7 -13.732   8.857   5.244
  297    H    ARG   8           H        ARG   8 -12.211   1.258   4.892
  298    HA   ARG   8           HA       ARG   8  -9.966   0.288   6.350
  299   1HB   ARG   8          1HB       ARG   8 -10.745  -1.841   5.891
  300   2HB   ARG   8          2HB       ARG   8 -12.217  -0.890   5.808
  301   1HG   ARG   8          1HG       ARG   8 -12.602  -1.652   3.767
  302   2HG   ARG   8          2HG       ARG   8 -11.082  -0.960   3.204
  303   1HD   ARG   8          1HD       ARG   8 -10.313  -3.023   2.894
  304   2HD   ARG   8          2HD       ARG   8 -10.399  -3.280   4.634
  305    HE   ARG   8           HE       ARG   8 -12.205  -4.295   2.632
  306   1HH1  ARG   8          1HH1      ARG   8 -11.792  -3.526   6.012
  307   2HH1  ARG   8          2HH1      ARG   8 -13.029  -4.615   6.540
  308   1HH2  ARG   8          1HH2      ARG   8 -13.835  -5.726   3.325
  309   2HH2  ARG   8          2HH2      ARG   8 -14.190  -5.865   5.015
  310    H    VAL   9           H        VAL   9 -10.472   1.272   3.071
  311    HA   VAL   9           HA       VAL   9  -8.296  -0.111   1.885
  312    HB   VAL   9           HB       VAL   9  -9.614   2.471   1.018
  313   1HG1  VAL   9          1HG1      VAL   9  -7.322   1.942   0.055
  314   2HG1  VAL   9          2HG1      VAL   9  -8.084   0.554  -0.721
  315   3HG1  VAL   9          3HG1      VAL   9  -8.628   2.187  -1.102
  316   1HG2  VAL   9          1HG2      VAL   9 -10.867   0.117   1.252
  317   2HG2  VAL   9          2HG2      VAL   9 -11.230   1.277  -0.026
  318   3HG2  VAL   9          3HG2      VAL   9 -10.164  -0.090  -0.352
  319    H    GLN  10           H        GLN  10  -8.636   3.077   3.376
  320    HA   GLN  10           HA       GLN  10  -6.164   4.159   2.716
  321   1HB   GLN  10          1HB       GLN  10  -7.637   4.542   5.327
  322   2HB   GLN  10          2HB       GLN  10  -6.455   5.634   4.620
  323   1HG   GLN  10          1HG       GLN  10  -8.050   5.832   2.652
  324   2HG   GLN  10          2HG       GLN  10  -9.243   5.047   3.687
  325   1HE2  GLN  10          2HE2      GLN  10 -10.228   7.232   3.083
  326   2HE2  GLN  10          1HE2      GLN  10  -9.964   8.515   4.210
  327    H    ALA  11           H        ALA  11  -7.017   1.793   5.142
  328    HA   ALA  11           HA       ALA  11  -4.649   1.917   6.674
  329   1HB   ALA  11          1HB       ALA  11  -6.840   0.815   7.303
  330   2HB   ALA  11          2HB       ALA  11  -6.329  -0.546   6.305
  331   3HB   ALA  11          3HB       ALA  11  -5.371  -0.074   7.707
  332    H    LEU  12           H        LEU  12  -5.241   0.677   3.537
  333    HA   LEU  12           HA       LEU  12  -2.937  -1.115   3.645
  334   1HB   LEU  12          1HB       LEU  12  -4.425  -0.648   1.114
  335   2HB   LEU  12          2HB       LEU  12  -3.710  -2.121   1.728
  336    HG   LEU  12           HG       LEU  12  -6.139  -0.991   3.068
  337   1HD1  LEU  12          1HD1      LEU  12  -6.391  -1.212   0.503
  338   2HD1  LEU  12          2HD1      LEU  12  -6.376  -2.945   0.822
  339   3HD1  LEU  12          3HD1      LEU  12  -7.613  -1.925   1.554
  340   1HD2  LEU  12          1HD2      LEU  12  -4.905  -3.714   2.752
  341   2HD2  LEU  12          2HD2      LEU  12  -5.147  -2.789   4.234
  342   3HD2  LEU  12          3HD2      LEU  12  -6.534  -3.467   3.382
  343    H    LYS  13           H        LYS  13  -4.081   1.720   1.848
  344    HA   LYS  13           HA       LYS  13  -1.574   2.044   0.479
  345   1HB   LYS  13          1HB       LYS  13  -2.602   4.146  -0.373
  346   2HB   LYS  13          2HB       LYS  13  -3.556   2.705  -0.688
  347   1HG   LYS  13          1HG       LYS  13  -5.254   3.931   0.092
  348   2HG   LYS  13          2HG       LYS  13  -4.604   3.520   1.680
  349   1HD   LYS  13          1HD       LYS  13  -4.181   5.661   2.090
  350   2HD   LYS  13          2HD       LYS  13  -3.164   5.750   0.652
  351   1HE   LYS  13          1HE       LYS  13  -5.861   5.767  -0.211
  352   2HE   LYS  13          2HE       LYS  13  -5.723   6.921   1.115
  353   1HZ   LYS  13          1HZ       LYS  13  -3.553   7.523  -0.306
  354   2HZ   LYS  13          2HZ       LYS  13  -4.581   7.015  -1.549
  355   3HZ   LYS  13          3HZ       LYS  13  -5.051   8.277  -0.525
  356    H    ALA  14           H        ALA  14  -2.838   3.039   3.504
  357    HA   ALA  14           HA       ALA  14  -1.562   5.486   3.901
  358   1HB   ALA  14          1HB       ALA  14  -2.551   3.333   5.697
  359   2HB   ALA  14          2HB       ALA  14  -1.511   4.582   6.382
  360   3HB   ALA  14          3HB       ALA  14  -3.025   5.029   5.596
  361    H    ARG  15           H        ARG  15  -0.409   2.228   4.772
  362    HA   ARG  15           HA       ARG  15   2.233   3.244   5.364
  363   1HB   ARG  15          1HB       ARG  15   1.239   1.445   6.721
  364   2HB   ARG  15          2HB       ARG  15   1.219   0.405   5.305
  365   1HG   ARG  15          1HG       ARG  15   3.797   1.615   6.172
  366   2HG   ARG  15          2HG       ARG  15   3.146   0.234   7.058
  367   1HD   ARG  15          1HD       ARG  15   2.971  -0.214   4.232
  368   2HD   ARG  15          2HD       ARG  15   4.619   0.213   4.684
  369    HE   ARG  15           HE       ARG  15   4.784  -1.735   5.924
  370   1HH1  ARG  15          1HH1      ARG  15   1.540  -1.368   4.684
  371   2HH1  ARG  15          2HH1      ARG  15   1.057  -2.966   5.135
  372   1HH2  ARG  15          1HH2      ARG  15   4.141  -3.829   6.526
  373   2HH2  ARG  15          2HH2      ARG  15   2.532  -4.365   6.177
  374    H    ASN  16           H        ASN  16   0.620   1.506   2.787
  375    HA   ASN  16           HA       ASN  16   2.893   0.611   1.402
  376   1HB   ASN  16          1HB       ASN  16   0.591  -0.161   0.924
  377   2HB   ASN  16          2HB       ASN  16   0.215   1.421   0.255
  378   1HD2  ASN  16          2HD2      ASN  16  -0.276  -0.469  -1.415
  379   2HD2  ASN  16          1HD2      ASN  16   0.950  -0.654  -2.618
  380    H    TYR  17           H        TYR  17   0.952   3.565   0.980
  381    HA   TYR  17           HA       TYR  17   2.290   4.718  -1.127
  382   1HB   TYR  17          1HB       TYR  17   0.259   5.681  -0.197
  383   2HB   TYR  17          2HB       TYR  17   1.103   6.087   1.294
  384    HD1  TYR  17           HD1      TYR  17   0.751   6.920  -2.279
  385    HD2  TYR  17           HD2      TYR  17   2.483   8.038   1.442
  386    HE1  TYR  17           HE1      TYR  17   1.346   9.112  -3.221
  387    HE2  TYR  17           HE2      TYR  17   3.082  10.233   0.511
  388    HH   TYR  17           HH       TYR  17   1.866  11.354  -2.485
  389    H    ALA  18           H        ALA  18   3.282   4.497   2.219
  390    HA   ALA  18           HA       ALA  18   5.394   6.402   2.050
  391   1HB   ALA  18          1HB       ALA  18   4.463   4.411   4.028
  392   2HB   ALA  18          2HB       ALA  18   6.156   4.894   4.128
  393   3HB   ALA  18          3HB       ALA  18   4.883   6.110   4.238
  394    H    LEU  19           H        LEU  19   5.395   2.829   2.108
  395    HA   LEU  19           HA       LEU  19   8.168   2.603   1.562
  396   1HB   LEU  19          1HB       LEU  19   6.342   0.436   0.671
  397   2HB   LEU  19          2HB       LEU  19   7.863   0.333   1.530
  398    HG   LEU  19           HG       LEU  19   5.179   1.033   2.712
  399   1HD1  LEU  19          1HD1      LEU  19   6.532  -1.433   2.310
  400   2HD1  LEU  19          2HD1      LEU  19   6.484  -1.092   4.039
  401   3HD1  LEU  19          3HD1      LEU  19   4.988  -1.132   3.108
  402   1HD2  LEU  19          1HD2      LEU  19   7.104   2.340   3.661
  403   2HD2  LEU  19          2HD2      LEU  19   6.241   1.321   4.814
  404   3HD2  LEU  19          3HD2      LEU  19   7.798   0.801   4.171
  405    H    LYS  20           H        LYS  20   5.297   2.196  -0.488
  406    HA   LYS  20           HA       LYS  20   6.390   1.656  -2.925
  407   1HB   LYS  20          1HB       LYS  20   3.908   2.231  -2.086
  408   2HB   LYS  20          2HB       LYS  20   4.276   3.738  -2.912
  409   1HG   LYS  20          1HG       LYS  20   4.382   2.742  -4.976
  410   2HG   LYS  20          2HG       LYS  20   4.786   1.159  -4.311
  411   1HD   LYS  20          1HD       LYS  20   2.623   0.590  -4.016
  412   2HD   LYS  20          2HD       LYS  20   2.157   2.218  -3.520
  413   1HE   LYS  20          1HE       LYS  20   2.924   1.877  -6.351
  414   2HE   LYS  20          2HE       LYS  20   1.417   1.108  -5.852
  415   1HZ   LYS  20          1HZ       LYS  20   1.142   3.516  -4.752
  416   2HZ   LYS  20          2HZ       LYS  20   2.064   3.925  -6.110
  417   3HZ   LYS  20          3HZ       LYS  20   0.583   3.132  -6.300
  418    H    GLN  21           H        GLN  21   6.441   4.678  -1.201
  419    HA   GLN  21           HA       GLN  21   7.361   6.225  -3.447
  420   1HB   GLN  21          1HB       GLN  21   5.982   7.256  -1.721
  421   2HB   GLN  21          2HB       GLN  21   7.199   6.887  -0.506
  422   1HG   GLN  21          1HG       GLN  21   8.782   8.313  -1.904
  423   2HG   GLN  21          2HG       GLN  21   7.339   8.872  -2.748
  424   1HE2  GLN  21          2HE2      GLN  21   6.370  10.594  -1.954
  425   2HE2  GLN  21          1HE2      GLN  21   6.541  11.208  -0.347
  426    H    LYS  22           H        LYS  22   8.803   4.909  -0.486
  427    HA   LYS  22           HA       LYS  22  11.423   5.893  -1.258
  428   1HB   LYS  22          1HB       LYS  22  12.150   4.947   0.914
  429   2HB   LYS  22          2HB       LYS  22  10.838   6.108   1.057
  430   1HG   LYS  22          1HG       LYS  22   9.774   4.598   2.280
  431   2HG   LYS  22          2HG       LYS  22   9.557   3.666   0.799
  432   1HD   LYS  22          1HD       LYS  22  10.545   2.117   2.203
  433   2HD   LYS  22          2HD       LYS  22  11.933   2.757   1.322
  434   1HE   LYS  22          1HE       LYS  22  11.023   3.582   4.077
  435   2HE   LYS  22          2HE       LYS  22  12.428   2.587   3.695
  436   1HZ   LYS  22          1HZ       LYS  22  13.324   4.503   2.445
  437   2HZ   LYS  22          2HZ       LYS  22  12.028   5.443   2.989
  438   3HZ   LYS  22          3HZ       LYS  22  13.141   4.816   4.097
  439    H    VAL  23           H        VAL  23   9.724   3.217  -2.183
  440    HA   VAL  23           HA       VAL  23  11.333   1.021  -1.774
  441    HB   VAL  23           HB       VAL  23  10.024   1.651  -4.425
  442   1HG1  VAL  23          1HG1      VAL  23  11.086  -0.840  -3.147
  443   2HG1  VAL  23          2HG1      VAL  23   9.781  -0.928  -4.330
  444   3HG1  VAL  23          3HG1      VAL  23  11.335  -0.229  -4.783
  445   1HG2  VAL  23          1HG2      VAL  23   8.901   0.656  -1.838
  446   2HG2  VAL  23          2HG2      VAL  23   8.270   1.876  -2.941
  447   3HG2  VAL  23          3HG2      VAL  23   8.181   0.171  -3.373
  448    H    GLN  24           H        GLN  24  11.520   3.123  -4.653
  449    HA   GLN  24           HA       GLN  24  13.940   2.067  -5.609
  450   1HB   GLN  24          1HB       GLN  24  14.045   4.267  -6.899
  451   2HB   GLN  24          2HB       GLN  24  12.630   3.258  -7.162
  452   1HG   GLN  24          1HG       GLN  24  11.249   4.670  -5.910
  453   2HG   GLN  24          2HG       GLN  24  12.619   5.491  -5.163
  454   1HE2  GLN  24          2HE2      GLN  24  12.180   7.538  -5.779
  455   2HE2  GLN  24          1HE2      GLN  24  12.138   8.072  -7.422
  456    H    ALA  25           H        ALA  25  13.232   4.629  -3.331
  457    HA   ALA  25           HA       ALA  25  15.761   5.848  -3.249
  458   1HB   ALA  25          1HB       ALA  25  13.390   6.394  -2.106
  459   2HB   ALA  25          2HB       ALA  25  14.247   5.719  -0.720
  460   3HB   ALA  25          3HB       ALA  25  14.913   7.108  -1.578
  461    H    LEU  26           H        LEU  26  14.532   2.926  -1.796
  462    HA   LEU  26           HA       LEU  26  16.659   2.617   0.092
  463   1HB   LEU  26          1HB       LEU  26  14.630   0.665  -0.992
  464   2HB   LEU  26          2HB       LEU  26  15.783   0.273   0.270
  465    HG   LEU  26           HG       LEU  26  13.665   2.411   0.472
  466   1HD1  LEU  26          1HD1      LEU  26  13.787  -0.405   1.520
  467   2HD1  LEU  26          2HD1      LEU  26  12.686   0.820   2.151
  468   3HD1  LEU  26          3HD1      LEU  26  12.567   0.310   0.467
  469   1HD2  LEU  26          1HD2      LEU  26  15.939   1.592   2.171
  470   2HD2  LEU  26          2HD2      LEU  26  15.151   3.162   2.004
  471   3HD2  LEU  26          3HD2      LEU  26  14.410   1.904   2.993
  472    H    ARG  27           H        ARG  27  15.887   1.085  -3.027
  473    HA   ARG  27           HA       ARG  27  18.334  -0.394  -3.101
  474   1HB   ARG  27          1HB       ARG  27  17.664  -0.879  -5.462
  475   2HB   ARG  27          2HB       ARG  27  16.449  -1.298  -4.264
  476   1HG   ARG  27          1HG       ARG  27  15.820   1.304  -4.981
  477   2HG   ARG  27          2HG       ARG  27  16.298   0.535  -6.496
  478   1HD   ARG  27          1HD       ARG  27  14.745  -1.402  -5.463
  479   2HD   ARG  27          2HD       ARG  27  13.978   0.012  -4.743
  480    HE   ARG  27           HE       ARG  27  13.192   0.605  -6.814
  481   1HH1  ARG  27          1HH1      ARG  27  15.646  -1.849  -7.185
  482   2HH1  ARG  27          2HH1      ARG  27  15.335  -2.081  -8.872
  483   1HH2  ARG  27          1HH2      ARG  27  12.782   0.300  -9.033
  484   2HH2  ARG  27          2HH2      ARG  27  13.711  -0.861  -9.922
  485    H    HIS  28           H        HIS  28  17.285   2.730  -4.247
  486    HA   HIS  28           HA       HIS  28  19.685   3.094  -5.853
  487   1HB   HIS  28          1HB       HIS  28  17.386   4.979  -5.294
  488   2HB   HIS  28          2HB       HIS  28  18.698   5.281  -6.428
  489    HD1  HIS  28           HD1      HIS  28  16.029   5.372  -7.700
  490    HD2  HIS  28           HD2      HIS  28  18.066   1.793  -7.150
  491    HE1  HIS  28           HE1      HIS  28  15.066   3.741  -9.376
  492    H    LYS  29           H        LYS  29  19.579   2.913  -2.781
  493    HA   LYS  29           HA       LYS  29  20.214   5.397  -1.670
  494   1HB   LYS  29          1HB       LYS  29  20.078   2.737  -0.792
  495   2HB   LYS  29          2HB       LYS  29  21.718   3.259  -0.432
  496   1HG   LYS  29          1HG       LYS  29  20.848   5.168   0.808
  497   2HG   LYS  29          2HG       LYS  29  19.199   4.664   0.432
  498   1HD   LYS  29          1HD       LYS  29  21.214   3.059   2.004
  499   2HD   LYS  29          2HD       LYS  29  19.866   3.971   2.687
  500   1HE   LYS  29          1HE       LYS  29  18.843   1.956   2.574
  501   2HE   LYS  29          2HE       LYS  29  18.524   2.478   0.920
  502   1HZ   LYS  29          1HZ       LYS  29  20.869   1.336   0.567
  503   2HZ   LYS  29          2HZ       LYS  29  20.357   0.433   1.904
  504   3HZ   LYS  29          3HZ       LYS  29  19.423   0.461   0.494
  505    H    GLY  30           H        GLY  30  22.140   3.142  -3.513
  506   1HA   GLY  30          1HA       GLY  30  23.990   4.549  -4.655
  507   2HA   GLY  30          2HA       GLY  30  24.555   4.739  -3.002
  508   1HN   NH2  31          1HN       NH2  31  25.212   3.151  -5.696
  509   2HN   NH2  31          2HN       NH2  31  25.826   1.663  -5.067
  Start of MODEL   11
    1   1H    ACE   0          1H        ACE   0 -16.418   7.102  -5.073
    2   2H    ACE   0          2H        ACE   0 -16.996   7.683  -6.635
    3   3H    ACE   0          3H        ACE   0 -15.813   6.377  -6.564
    4    H    GLU   1           H        GLU   1 -16.755   4.535  -7.187
    5    HA   GLU   1           HA       GLU   1 -19.571   4.060  -6.656
    6   1HB   GLU   1          1HB       GLU   1 -18.341   3.575  -8.878
    7   2HB   GLU   1          2HB       GLU   1 -17.716   2.153  -8.055
    8   1HG   GLU   1          1HG       GLU   1 -20.168   1.617  -7.538
    9   2HG   GLU   1          2HG       GLU   1 -20.543   2.809  -8.782
   10    H    VAL   2           H        VAL   2 -20.365   2.336  -5.479
   11    HA   VAL   2           HA       VAL   2 -19.084   1.653  -3.122
   12    HB   VAL   2           HB       VAL   2 -21.174  -0.039  -4.497
   13   1HG1  VAL   2          1HG1      VAL   2 -20.198   0.198  -1.671
   14   2HG1  VAL   2          2HG1      VAL   2 -21.817  -0.400  -2.032
   15   3HG1  VAL   2          3HG1      VAL   2 -20.404  -1.249  -2.659
   16   1HG2  VAL   2          1HG2      VAL   2 -21.424   2.490  -2.892
   17   2HG2  VAL   2          2HG2      VAL   2 -22.087   2.127  -4.485
   18   3HG2  VAL   2          3HG2      VAL   2 -22.754   1.343  -3.054
   19    H    ALA   3           H        ALA   3 -19.450  -0.353  -6.048
   20    HA   ALA   3           HA       ALA   3 -18.019  -2.573  -5.146
   21   1HB   ALA   3          1HB       ALA   3 -18.332  -1.523  -7.955
   22   2HB   ALA   3          2HB       ALA   3 -17.725  -3.124  -7.536
   23   3HB   ALA   3          3HB       ALA   3 -19.383  -2.678  -7.135
   24    H    GLN   4           H        GLN   4 -16.916   0.409  -6.665
   25    HA   GLN   4           HA       GLN   4 -14.267  -0.320  -7.181
   26   1HB   GLN   4          1HB       GLN   4 -15.747   2.224  -6.845
   27   2HB   GLN   4          2HB       GLN   4 -14.003   2.311  -6.641
   28   1HG   GLN   4          1HG       GLN   4 -15.084   0.904  -9.025
   29   2HG   GLN   4          2HG       GLN   4 -15.133   2.666  -8.983
   30   1HE2  GLN   4          2HE2      GLN   4 -13.219  -0.094  -9.482
   31   2HE2  GLN   4          1HE2      GLN   4 -11.707   0.704  -9.729
   32    H    LEU   5           H        LEU   5 -15.816   0.833  -4.240
   33    HA   LEU   5           HA       LEU   5 -13.467   1.310  -2.751
   34   1HB   LEU   5          1HB       LEU   5 -16.014   0.370  -1.483
   35   2HB   LEU   5          2HB       LEU   5 -14.846   1.529  -0.879
   36    HG   LEU   5           HG       LEU   5 -16.913   1.951  -3.029
   37   1HD1  LEU   5          1HD1      LEU   5 -16.811   2.445  -0.226
   38   2HD1  LEU   5          2HD1      LEU   5 -16.853   3.990  -1.075
   39   3HD1  LEU   5          3HD1      LEU   5 -18.111   2.788  -1.366
   40   1HD2  LEU   5          1HD2      LEU   5 -14.370   3.361  -2.531
   41   2HD2  LEU   5          2HD2      LEU   5 -15.329   3.231  -4.005
   42   3HD2  LEU   5          3HD2      LEU   5 -15.794   4.378  -2.749
   43    H    GLU   6           H        GLU   6 -15.567  -1.540  -3.013
   44    HA   GLU   6           HA       GLU   6 -14.179  -3.142  -1.162
   45   1HB   GLU   6          1HB       GLU   6 -15.756  -4.060  -3.573
   46   2HB   GLU   6          2HB       GLU   6 -15.366  -5.019  -2.152
   47   1HG   GLU   6          1HG       GLU   6 -16.631  -3.019  -0.944
   48   2HG   GLU   6          2HG       GLU   6 -17.408  -2.913  -2.522
   49    H    LYS   7           H        LYS   7 -13.822  -2.708  -4.652
   50    HA   LYS   7           HA       LYS   7 -11.803  -4.703  -4.943
   51   1HB   LYS   7          1HB       LYS   7 -12.192  -2.384  -6.819
   52   2HB   LYS   7          2HB       LYS   7 -11.636  -4.010  -7.189
   53   1HG   LYS   7          1HG       LYS   7 -14.209  -4.292  -6.102
   54   2HG   LYS   7          2HG       LYS   7 -14.290  -2.945  -7.239
   55   1HD   LYS   7          1HD       LYS   7 -13.221  -5.704  -7.835
   56   2HD   LYS   7          2HD       LYS   7 -14.787  -5.068  -8.344
   57   1HE   LYS   7          1HE       LYS   7 -13.561  -3.256  -9.557
   58   2HE   LYS   7          2HE       LYS   7 -12.058  -4.098  -9.179
   59   1HZ   LYS   7          1HZ       LYS   7 -13.472  -6.073 -10.258
   60   2HZ   LYS   7          2HZ       LYS   7 -14.120  -4.764 -11.112
   61   3HZ   LYS   7          3HZ       LYS   7 -12.454  -5.062 -11.156
   62    H    GLU   8           H        GLU   8 -11.830  -1.289  -4.217
   63    HA   GLU   8           HA       GLU   8  -9.174  -0.646  -4.769
   64   1HB   GLU   8          1HB       GLU   8 -11.066   0.917  -4.123
   65   2HB   GLU   8          2HB       GLU   8 -10.745   0.469  -2.453
   66   1HG   GLU   8          1HG       GLU   8  -8.507   1.349  -2.604
   67   2HG   GLU   8          2HG       GLU   8  -8.727   1.693  -4.318
   68    H    VAL   9           H        VAL   9 -10.552  -2.524  -2.210
   69    HA   VAL   9           HA       VAL   9  -8.332  -2.309  -0.416
   70    HB   VAL   9           HB       VAL   9 -10.587  -4.318  -0.530
   71   1HG1  VAL   9          1HG1      VAL   9  -8.505  -3.873   1.607
   72   2HG1  VAL   9          2HG1      VAL   9  -9.941  -4.879   1.790
   73   3HG1  VAL   9          3HG1      VAL   9  -8.704  -5.314   0.611
   74   1HG2  VAL   9          1HG2      VAL   9 -11.262  -1.992  -0.086
   75   2HG2  VAL   9          2HG2      VAL   9 -11.539  -3.048   1.299
   76   3HG2  VAL   9          3HG2      VAL   9 -10.157  -1.952   1.287
   77    H    ALA  10           H        ALA  10  -9.559  -5.031  -2.378
   78    HA   ALA  10           HA       ALA  10  -7.393  -6.736  -2.022
   79   1HB   ALA  10          1HB       ALA  10  -9.739  -6.999  -3.253
   80   2HB   ALA  10          2HB       ALA  10  -8.722  -6.751  -4.672
   81   3HB   ALA  10          3HB       ALA  10  -8.381  -8.081  -3.565
   82    H    GLN  11           H        GLN  11  -7.693  -3.902  -3.979
   83    HA   GLN  11           HA       GLN  11  -5.619  -4.440  -5.831
   84   1HB   GLN  11          1HB       GLN  11  -7.290  -2.726  -6.265
   85   2HB   GLN  11          2HB       GLN  11  -6.761  -1.815  -4.857
   86   1HG   GLN  11          1HG       GLN  11  -5.898  -0.794  -6.850
   87   2HG   GLN  11          2HG       GLN  11  -4.568  -1.485  -5.922
   88   1HE2  GLN  11          2HE2      GLN  11  -6.900  -2.845  -8.225
   89   2HE2  GLN  11          1HE2      GLN  11  -5.716  -3.528  -9.283
   90    H    LEU  12           H        LEU  12  -5.660  -2.356  -2.924
   91    HA   LEU  12           HA       LEU  12  -2.843  -1.950  -2.963
   92   1HB   LEU  12          1HB       LEU  12  -4.785  -1.581  -0.682
   93   2HB   LEU  12          2HB       LEU  12  -3.152  -0.948  -0.754
   94    HG   LEU  12           HG       LEU  12  -5.304  -0.172  -2.717
   95   1HD1  LEU  12          1HD1      LEU  12  -4.457   1.156  -0.152
   96   2HD1  LEU  12          2HD1      LEU  12  -5.420   1.938  -1.404
   97   3HD1  LEU  12          3HD1      LEU  12  -6.053   0.530  -0.554
   98   1HD2  LEU  12          1HD2      LEU  12  -2.476   0.585  -2.240
   99   2HD2  LEU  12          2HD2      LEU  12  -3.376   0.455  -3.751
  100   3HD2  LEU  12          3HD2      LEU  12  -3.598   1.863  -2.712
  101    H    GLU  13           H        GLU  13  -4.948  -4.315  -1.485
  102    HA   GLU  13           HA       GLU  13  -3.205  -5.324   0.459
  103   1HB   GLU  13          1HB       GLU  13  -5.539  -6.430  -1.043
  104   2HB   GLU  13          2HB       GLU  13  -4.547  -7.533  -0.099
  105   1HG   GLU  13          1HG       GLU  13  -4.974  -6.268   1.908
  106   2HG   GLU  13          2HG       GLU  13  -5.866  -5.057   0.989
  107    H    ALA  14           H        ALA  14  -3.264  -5.713  -2.988
  108    HA   ALA  14           HA       ALA  14  -1.382  -7.931  -2.934
  109   1HB   ALA  14          1HB       ALA  14  -2.961  -6.559  -5.059
  110   2HB   ALA  14          2HB       ALA  14  -1.530  -7.485  -5.510
  111   3HB   ALA  14          3HB       ALA  14  -2.859  -8.274  -4.662
  112    H    GLU  15           H        GLU  15  -1.479  -4.499  -3.717
  113    HA   GLU  15           HA       GLU  15   1.252  -4.445  -4.642
  114   1HB   GLU  15          1HB       GLU  15  -0.603  -2.908  -5.444
  115   2HB   GLU  15          2HB       GLU  15  -0.463  -2.076  -3.901
  116   1HG   GLU  15          1HG       GLU  15   1.593  -1.192  -4.406
  117   2HG   GLU  15          2HG       GLU  15   1.973  -2.462  -5.568
  118    H    ASN  16           H        ASN  16  -0.474  -3.030  -1.856
  119    HA   ASN  16           HA       ASN  16   1.667  -1.964  -0.494
  120   1HB   ASN  16          1HB       ASN  16  -0.647  -1.618   0.202
  121   2HB   ASN  16          2HB       ASN  16  -0.788  -3.311   0.659
  122   1HD2  ASN  16          2HD2      ASN  16  -1.460  -2.238   2.692
  123   2HD2  ASN  16          1HD2      ASN  16  -0.233  -1.845   3.842
  124    H    TYR  17           H        TYR  17   0.633  -5.307  -0.680
  125    HA   TYR  17           HA       TYR  17   2.417  -6.224   1.378
  126   1HB   TYR  17          1HB       TYR  17   0.429  -7.502   1.039
  127   2HB   TYR  17          2HB       TYR  17   0.734  -7.644  -0.689
  128    HD1  TYR  17           HD1      TYR  17   2.577  -8.422   2.478
  129    HD2  TYR  17           HD2      TYR  17   1.370  -9.740  -1.382
  130    HE1  TYR  17           HE1      TYR  17   3.710 -10.569   2.865
  131    HE2  TYR  17           HE2      TYR  17   2.499 -11.893  -1.006
  132    HH   TYR  17           HH       TYR  17   4.657 -12.410   1.583
  133    H    GLN  18           H        GLN  18   2.400  -6.204  -2.158
  134    HA   GLN  18           HA       GLN  18   4.667  -7.740  -2.627
  135   1HB   GLN  18          1HB       GLN  18   3.097  -5.754  -4.117
  136   2HB   GLN  18          2HB       GLN  18   4.771  -5.888  -4.639
  137   1HG   GLN  18          1HG       GLN  18   4.526  -8.102  -5.286
  138   2HG   GLN  18          2HG       GLN  18   3.082  -8.331  -4.301
  139   1HE2  GLN  18          2HE2      GLN  18   1.413  -8.691  -5.567
  140   2HE2  GLN  18          1HE2      GLN  18   1.037  -7.845  -7.027
  141    H    LEU  19           H        LEU  19   4.383  -4.355  -1.725
  142    HA   LEU  19           HA       LEU  19   7.213  -3.869  -2.085
  143   1HB   LEU  19          1HB       LEU  19   5.028  -2.158  -0.910
  144   2HB   LEU  19          2HB       LEU  19   6.682  -1.631  -1.146
  145    HG   LEU  19           HG       LEU  19   4.786  -2.450  -3.348
  146   1HD1  LEU  19          1HD1      LEU  19   4.877  -0.067  -1.908
  147   2HD1  LEU  19          2HD1      LEU  19   5.733   0.272  -3.412
  148   3HD1  LEU  19          3HD1      LEU  19   4.083  -0.348  -3.457
  149   1HD2  LEU  19          1HD2      LEU  19   7.157  -2.925  -3.829
  150   2HD2  LEU  19          2HD2      LEU  19   6.496  -1.660  -4.864
  151   3HD2  LEU  19          3HD2      LEU  19   7.540  -1.235  -3.509
  152    H    GLU  20           H        GLU  20   4.940  -4.241   0.609
  153    HA   GLU  20           HA       GLU  20   6.595  -3.644   2.735
  154   1HB   GLU  20          1HB       GLU  20   4.077  -4.420   2.613
  155   2HB   GLU  20          2HB       GLU  20   4.770  -5.999   2.959
  156   1HG   GLU  20          1HG       GLU  20   5.524  -3.674   4.660
  157   2HG   GLU  20          2HG       GLU  20   3.954  -4.443   4.887
  158    H    GLN  21           H        GLN  21   6.648  -6.418   0.653
  159    HA   GLN  21           HA       GLN  21   8.480  -7.854   2.414
  160   1HB   GLN  21          1HB       GLN  21   6.493  -8.779   0.836
  161   2HB   GLN  21          2HB       GLN  21   7.851  -8.934  -0.269
  162   1HG   GLN  21          1HG       GLN  21   8.125  -9.985   2.500
  163   2HG   GLN  21          2HG       GLN  21   7.170 -10.892   1.328
  164   1HE2  GLN  21          2HE2      GLN  21   8.918 -12.472   1.836
  165   2HE2  GLN  21          1HE2      GLN  21  10.348 -12.416   0.868
  166    H    GLU  22           H        GLU  22   8.464  -5.940  -0.484
  167    HA   GLU  22           HA       GLU  22  11.140  -6.751  -1.256
  168   1HB   GLU  22          1HB       GLU  22   9.266  -4.661  -2.373
  169   2HB   GLU  22          2HB       GLU  22  10.849  -5.029  -3.045
  170   1HG   GLU  22          1HG       GLU  22   9.072  -7.340  -2.691
  171   2HG   GLU  22          2HG       GLU  22   8.536  -6.146  -3.872
  172    H    VAL  23           H        VAL  23   9.609  -4.247   0.575
  173    HA   VAL  23           HA       VAL  23  11.919  -2.496   0.520
  174    HB   VAL  23           HB       VAL  23   9.520  -2.240   2.327
  175   1HG1  VAL  23          1HG1      VAL  23  11.867  -0.816   2.211
  176   2HG1  VAL  23          2HG1      VAL  23  10.761   0.166   1.253
  177   3HG1  VAL  23          3HG1      VAL  23  10.352  -0.255   2.917
  178   1HG2  VAL  23          1HG2      VAL  23   9.509  -2.180  -0.503
  179   2HG2  VAL  23          2HG2      VAL  23   8.201  -1.763   0.604
  180   3HG2  VAL  23          3HG2      VAL  23   9.327  -0.520   0.061
  181    H    ALA  24           H        ALA  24  10.400  -4.811   2.681
  182    HA   ALA  24           HA       ALA  24  11.787  -4.241   5.035
  183   1HB   ALA  24          1HB       ALA  24  10.740  -6.879   4.019
  184   2HB   ALA  24          2HB       ALA  24  11.283  -6.580   5.670
  185   3HB   ALA  24          3HB       ALA  24   9.882  -5.718   5.032
  186    H    GLN  25           H        GLN  25  12.755  -5.992   2.171
  187    HA   GLN  25           HA       GLN  25  15.113  -7.125   3.365
  188   1HB   GLN  25          1HB       GLN  25  14.062  -6.964   0.551
  189   2HB   GLN  25          2HB       GLN  25  15.669  -7.590   0.893
  190   1HG   GLN  25          1HG       GLN  25  14.309  -9.081   2.611
  191   2HG   GLN  25          2HG       GLN  25  13.009  -8.760   1.463
  192   1HE2  GLN  25          2HE2      GLN  25  12.784 -10.340   0.066
  193   2HE2  GLN  25          1HE2      GLN  25  14.052 -11.278  -0.635
  194    H    LEU  26           H        LEU  26  14.359  -4.360   1.302
  195    HA   LEU  26           HA       LEU  26  17.029  -3.586   0.798
  196   1HB   LEU  26          1HB       LEU  26  14.384  -2.181   0.671
  197   2HB   LEU  26          2HB       LEU  26  15.873  -1.286   0.432
  198    HG   LEU  26           HG       LEU  26  15.041  -3.672  -1.218
  199   1HD1  LEU  26          1HD1      LEU  26  13.768  -1.322  -1.299
  200   2HD1  LEU  26          2HD1      LEU  26  15.120  -0.953  -2.370
  201   3HD1  LEU  26          3HD1      LEU  26  14.054  -2.311  -2.731
  202   1HD2  LEU  26          1HD2      LEU  26  17.318  -1.714  -1.410
  203   2HD2  LEU  26          2HD2      LEU  26  17.403  -3.469  -1.246
  204   3HD2  LEU  26          3HD2      LEU  26  16.818  -2.750  -2.746
  205    H    GLU  27           H        GLU  27  14.675  -1.854   2.845
  206    HA   GLU  27           HA       GLU  27  16.874  -0.757   4.404
  207   1HB   GLU  27          1HB       GLU  27  15.215   0.710   5.390
  208   2HB   GLU  27          2HB       GLU  27  15.040   0.715   3.641
  209   1HG   GLU  27          1HG       GLU  27  12.982  -0.167   3.711
  210   2HG   GLU  27          2HG       GLU  27  13.380  -1.256   5.040
  211    H    HIS  28           H        HIS  28  16.893  -3.364   4.878
  212    HA   HIS  28           HA       HIS  28  15.212  -4.397   6.847
  213   1HB   HIS  28          1HB       HIS  28  17.013  -5.588   5.442
  214   2HB   HIS  28          2HB       HIS  28  18.141  -5.076   6.694
  215    HD1  HIS  28           HD1      HIS  28  15.298  -7.447   6.080
  216    HD2  HIS  28           HD2      HIS  28  17.924  -6.398   9.124
  217    HE1  HIS  28           HE1      HIS  28  15.072  -9.231   7.858
  218    H    GLU  29           H        GLU  29  17.748  -2.067   7.087
  219    HA   GLU  29           HA       GLU  29  18.552  -2.349   9.732
  220   1HB   GLU  29          1HB       GLU  29  18.229   0.172   8.100
  221   2HB   GLU  29          2HB       GLU  29  19.092   0.078   9.627
  222   1HG   GLU  29          1HG       GLU  29  20.068  -1.929   7.832
  223   2HG   GLU  29          2HG       GLU  29  20.097  -0.350   7.048
  224    H    GLY  30           H        GLY  30  15.944  -0.284   8.442
  225   1HA   GLY  30          1HA       GLY  30  13.823  -0.066   9.501
  226   2HA   GLY  30          2HA       GLY  30  14.560  -0.568  11.014
  227   1HN   NH2  31          1HN       NH2  31  12.904   1.785  10.311
  228   2HN   NH2  31          2HN       NH2  31  13.826   3.158  10.811
  229   1H    ACE   0          1H        ACE   0 -17.387  -3.763   4.917
  230   2H    ACE   0          2H        ACE   0 -18.897  -4.673   4.959
  231   3H    ACE   0          3H        ACE   0 -18.728  -3.203   5.917
  232    H    GLU   1           H        GLU   1 -19.906  -1.605   5.073
  233    HA   GLU   1           HA       GLU   1 -20.547  -1.560   2.258
  234   1HB   GLU   1          1HB       GLU   1 -21.305   0.542   4.273
  235   2HB   GLU   1          2HB       GLU   1 -22.134   0.115   2.784
  236   1HG   GLU   1          1HG       GLU   1 -22.852  -1.977   3.725
  237   2HG   GLU   1          2HG       GLU   1 -21.911  -1.681   5.185
  238    H    VAL   2           H        VAL   2 -20.773   1.240   1.897
  239    HA   VAL   2           HA       VAL   2 -18.533   1.943   0.600
  240    HB   VAL   2           HB       VAL   2 -20.215   3.880   2.186
  241   1HG1  VAL   2          1HG1      VAL   2 -17.876   4.354   0.748
  242   2HG1  VAL   2          2HG1      VAL   2 -19.181   4.843  -0.332
  243   3HG1  VAL   2          3HG1      VAL   2 -19.057   5.550   1.278
  244   1HG2  VAL   2          1HG2      VAL   2 -20.676   2.370  -0.304
  245   2HG2  VAL   2          2HG2      VAL   2 -21.828   3.011   0.868
  246   3HG2  VAL   2          3HG2      VAL   2 -21.112   4.079  -0.340
  247    H    GLN   3           H        GLN   3 -18.986   3.818   3.534
  248    HA   GLN   3           HA       GLN   3 -16.280   4.321   3.931
  249   1HB   GLN   3          1HB       GLN   3 -18.765   4.722   5.442
  250   2HB   GLN   3          2HB       GLN   3 -17.332   4.574   6.450
  251   1HG   GLN   3          1HG       GLN   3 -16.374   6.303   4.687
  252   2HG   GLN   3          2HG       GLN   3 -18.086   6.685   4.517
  253   1HE2  GLN   3          2HE2      GLN   3 -19.072   6.471   6.984
  254   2HE2  GLN   3          1HE2      GLN   3 -18.309   7.587   8.061
  255    H    ALA   4           H        ALA   4 -18.351   1.793   5.263
  256    HA   ALA   4           HA       ALA   4 -16.703   0.752   7.216
  257   1HB   ALA   4          1HB       ALA   4 -19.094   0.021   6.077
  258   2HB   ALA   4          2HB       ALA   4 -18.036  -1.338   5.693
  259   3HB   ALA   4          3HB       ALA   4 -18.257  -0.838   7.370
  260    H    LEU   5           H        LEU   5 -16.393   0.503   3.755
  261    HA   LEU   5           HA       LEU   5 -14.077  -1.296   4.114
  262   1HB   LEU   5          1HB       LEU   5 -16.105  -1.003   1.963
  263   2HB   LEU   5          2HB       LEU   5 -14.476  -1.403   1.472
  264    HG   LEU   5           HG       LEU   5 -15.997  -3.016   3.511
  265   1HD1  LEU   5          1HD1      LEU   5 -16.974  -2.783   1.075
  266   2HD1  LEU   5          2HD1      LEU   5 -15.692  -3.934   0.701
  267   3HD1  LEU   5          3HD1      LEU   5 -16.921  -4.341   1.898
  268   1HD2  LEU   5          1HD2      LEU   5 -13.345  -3.014   2.893
  269   2HD2  LEU   5          2HD2      LEU   5 -14.228  -4.394   3.543
  270   3HD2  LEU   5          3HD2      LEU   5 -13.963  -4.256   1.806
  271    H    LYS   6           H        LYS   6 -15.326   1.413   2.270
  272    HA   LYS   6           HA       LYS   6 -13.173   2.313   0.882
  273   1HB   LYS   6          1HB       LYS   6 -15.308   3.369   0.673
  274   2HB   LYS   6          2HB       LYS   6 -15.320   3.804   2.371
  275   1HG   LYS   6          1HG       LYS   6 -14.635   5.815   1.692
  276   2HG   LYS   6          2HG       LYS   6 -13.058   5.066   1.442
  277   1HD   LYS   6          1HD       LYS   6 -13.234   5.674  -0.696
  278   2HD   LYS   6          2HD       LYS   6 -14.480   4.434  -0.854
  279   1HE   LYS   6          1HE       LYS   6 -16.200   5.952  -0.731
  280   2HE   LYS   6          2HE       LYS   6 -15.248   7.115   0.192
  281   1HZ   LYS   6          1HZ       LYS   6 -14.881   6.497  -2.690
  282   2HZ   LYS   6          2HZ       LYS   6 -15.653   7.871  -2.072
  283   3HZ   LYS   6          3HZ       LYS   6 -14.000   7.635  -1.801
  284    H    LYS   7           H        LYS   7 -13.786   2.620   4.318
  285    HA   LYS   7           HA       LYS   7 -11.618   4.425   4.814
  286   1HB   LYS   7          1HB       LYS   7 -13.297   2.715   6.650
  287   2HB   LYS   7          2HB       LYS   7 -12.078   3.849   7.214
  288   1HG   LYS   7          1HG       LYS   7 -13.306   5.702   6.526
  289   2HG   LYS   7          2HG       LYS   7 -14.311   4.745   5.436
  290   1HD   LYS   7          1HD       LYS   7 -15.566   5.397   7.421
  291   2HD   LYS   7          2HD       LYS   7 -15.351   3.647   7.364
  292   1HE   LYS   7          1HE       LYS   7 -13.137   4.539   8.761
  293   2HE   LYS   7          2HE       LYS   7 -14.444   5.570   9.342
  294   1HZ   LYS   7          1HZ       LYS   7 -14.910   2.681   9.159
  295   2HZ   LYS   7          2HZ       LYS   7 -13.971   3.266  10.439
  296   3HZ   LYS   7          3HZ       LYS   7 -15.560   3.810  10.238
  297    H    ARG   8           H        ARG   8 -12.145   0.947   5.293
  298    HA   ARG   8           HA       ARG   8  -9.733   0.322   6.516
  299   1HB   ARG   8          1HB       ARG   8 -10.190  -1.925   6.032
  300   2HB   ARG   8          2HB       ARG   8 -11.772  -1.170   6.128
  301   1HG   ARG   8          1HG       ARG   8 -12.271  -1.882   4.091
  302   2HG   ARG   8          2HG       ARG   8 -10.865  -1.051   3.425
  303   1HD   ARG   8          1HD       ARG   8 -10.000  -3.046   2.966
  304   2HD   ARG   8          2HD       ARG   8  -9.828  -3.304   4.699
  305    HE   ARG   8           HE       ARG   8 -11.803  -4.474   2.947
  306   1HH1  ARG   8          1HH1      ARG   8 -10.935  -3.739   6.249
  307   2HH1  ARG   8          2HH1      ARG   8 -11.950  -4.970   6.921
  308   1HH2  ARG   8          1HH2      ARG   8 -13.138  -6.093   3.833
  309   2HH2  ARG   8          2HH2      ARG   8 -13.200  -6.306   5.550
  310    H    VAL   9           H        VAL   9 -10.366   1.173   3.231
  311    HA   VAL   9           HA       VAL   9  -8.162  -0.031   1.970
  312    HB   VAL   9           HB       VAL   9  -9.536   2.562   1.243
  313   1HG1  VAL   9          1HG1      VAL   9  -7.265   2.086   0.203
  314   2HG1  VAL   9          2HG1      VAL   9  -8.041   0.728  -0.610
  315   3HG1  VAL   9          3HG1      VAL   9  -8.602   2.372  -0.908
  316   1HG2  VAL   9          1HG2      VAL   9 -11.067   0.637   1.406
  317   2HG2  VAL   9          2HG2      VAL   9 -10.904   1.231  -0.247
  318   3HG2  VAL   9          3HG2      VAL   9 -10.062  -0.237   0.250
  319    H    GLN  10           H        GLN  10  -8.526   3.171   3.469
  320    HA   GLN  10           HA       GLN  10  -6.079   4.271   2.819
  321   1HB   GLN  10          1HB       GLN  10  -6.364   5.754   4.681
  322   2HB   GLN  10          2HB       GLN  10  -7.950   5.437   3.994
  323   1HG   GLN  10          1HG       GLN  10  -8.664   4.860   6.002
  324   2HG   GLN  10          2HG       GLN  10  -7.553   3.492   5.979
  325   1HE2  GLN  10          2HE2      GLN  10  -8.282   4.714   8.330
  326   2HE2  GLN  10          1HE2      GLN  10  -6.920   5.537   8.999
  327    H    ALA  11           H        ALA  11  -6.790   1.749   5.096
  328    HA   ALA  11           HA       ALA  11  -4.357   1.933   6.573
  329   1HB   ALA  11          1HB       ALA  11  -6.644   0.068   6.442
  330   2HB   ALA  11          2HB       ALA  11  -5.120  -0.588   7.043
  331   3HB   ALA  11          3HB       ALA  11  -5.856   0.806   7.836
  332    H    LEU  12           H        LEU  12  -5.034   0.839   3.445
  333    HA   LEU  12           HA       LEU  12  -2.796  -1.052   3.440
  334   1HB   LEU  12          1HB       LEU  12  -4.383  -0.515   0.984
  335   2HB   LEU  12          2HB       LEU  12  -3.677  -2.014   1.550
  336    HG   LEU  12           HG       LEU  12  -6.013  -0.843   3.013
  337   1HD1  LEU  12          1HD1      LEU  12  -6.144  -2.473   0.484
  338   2HD1  LEU  12          2HD1      LEU  12  -7.505  -2.162   1.562
  339   3HD1  LEU  12          3HD1      LEU  12  -6.729  -0.825   0.714
  340   1HD2  LEU  12          1HD2      LEU  12  -4.639  -3.459   2.780
  341   2HD2  LEU  12          2HD2      LEU  12  -5.332  -2.663   4.193
  342   3HD2  LEU  12          3HD2      LEU  12  -6.384  -3.471   3.032
  343    H    LYS  13           H        LYS  13  -3.973   1.785   1.657
  344    HA   LYS  13           HA       LYS  13  -1.517   2.088   0.207
  345   1HB   LYS  13          1HB       LYS  13  -2.557   4.203  -0.602
  346   2HB   LYS  13          2HB       LYS  13  -3.529   2.769  -0.884
  347   1HG   LYS  13          1HG       LYS  13  -5.198   3.981  -0.030
  348   2HG   LYS  13          2HG       LYS  13  -4.471   3.601   1.533
  349   1HD   LYS  13          1HD       LYS  13  -4.095   5.760   1.885
  350   2HD   LYS  13          2HD       LYS  13  -3.074   5.810   0.446
  351   1HE   LYS  13          1HE       LYS  13  -5.441   5.920  -0.756
  352   2HE   LYS  13          2HE       LYS  13  -5.914   6.605   0.798
  353   1HZ   LYS  13          1HZ       LYS  13  -3.504   7.655  -0.490
  354   2HZ   LYS  13          2HZ       LYS  13  -5.003   8.101  -1.136
  355   3HZ   LYS  13          3HZ       LYS  13  -4.642   8.447   0.480
  356    H    ALA  14           H        ALA  14  -2.655   3.134   3.272
  357    HA   ALA  14           HA       ALA  14  -1.354   5.565   3.608
  358   1HB   ALA  14          1HB       ALA  14  -2.229   3.406   5.453
  359   2HB   ALA  14          2HB       ALA  14  -1.152   4.653   6.081
  360   3HB   ALA  14          3HB       ALA  14  -2.709   5.102   5.385
  361    H    ARG  15           H        ARG  15  -0.121   2.324   4.442
  362    HA   ARG  15           HA       ARG  15   2.533   3.365   4.898
  363   1HB   ARG  15          1HB       ARG  15   1.356   1.377   6.095
  364   2HB   ARG  15          2HB       ARG  15   1.865   0.445   4.693
  365   1HG   ARG  15          1HG       ARG  15   3.511   0.128   6.354
  366   2HG   ARG  15          2HG       ARG  15   4.211   1.224   5.160
  367   1HD   ARG  15          1HD       ARG  15   4.200   3.002   6.584
  368   2HD   ARG  15          2HD       ARG  15   2.773   2.437   7.452
  369    HE   ARG  15           HE       ARG  15   4.140   1.311   8.906
  370   1HH1  ARG  15          1HH1      ARG  15   5.993   2.258   6.105
  371   2HH1  ARG  15          2HH1      ARG  15   7.512   1.797   6.799
  372   1HH2  ARG  15          1HH2      ARG  15   6.136   0.704   9.820
  373   2HH2  ARG  15          2HH2      ARG  15   7.594   0.915   8.907
  374    H    ASN  16           H        ASN  16   0.876   1.446   2.444
  375    HA   ASN  16           HA       ASN  16   3.063   0.670   0.912
  376   1HB   ASN  16          1HB       ASN  16   0.824  -0.214   0.537
  377   2HB   ASN  16          2HB       ASN  16   0.263   1.364   0.006
  378   1HD2  ASN  16          2HD2      ASN  16  -0.302   0.846  -2.038
  379   2HD2  ASN  16          1HD2      ASN  16   0.813   0.309  -3.244
  380    H    TYR  17           H        TYR  17   1.065   3.605   0.618
  381    HA   TYR  17           HA       TYR  17   2.314   4.724  -1.593
  382   1HB   TYR  17          1HB       TYR  17   0.256   5.643  -0.662
  383   2HB   TYR  17          2HB       TYR  17   1.110   6.135   0.797
  384    HD1  TYR  17           HD1      TYR  17   1.508   6.565  -2.901
  385    HD2  TYR  17           HD2      TYR  17   1.596   8.377   0.947
  386    HE1  TYR  17           HE1      TYR  17   2.026   8.733  -3.940
  387    HE2  TYR  17           HE2      TYR  17   2.115  10.550  -0.081
  388    HH   TYR  17           HH       TYR  17   1.804  11.659  -2.296
  389    H    ALA  18           H        ALA  18   3.340   4.622   1.745
  390    HA   ALA  18           HA       ALA  18   5.386   6.594   1.498
  391   1HB   ALA  18          1HB       ALA  18   4.196   5.410   3.612
  392   2HB   ALA  18          2HB       ALA  18   5.713   4.511   3.558
  393   3HB   ALA  18          3HB       ALA  18   5.734   6.269   3.704
  394    H    LEU  19           H        LEU  19   5.513   3.023   1.693
  395    HA   LEU  19           HA       LEU  19   8.267   2.808   1.210
  396   1HB   LEU  19          1HB       LEU  19   6.489   0.691   0.119
  397   2HB   LEU  19          2HB       LEU  19   7.965   0.543   1.046
  398    HG   LEU  19           HG       LEU  19   5.205   1.128   2.097
  399   1HD1  LEU  19          1HD1      LEU  19   7.136  -1.154   2.382
  400   2HD1  LEU  19          2HD1      LEU  19   5.768  -0.918   3.470
  401   3HD1  LEU  19          3HD1      LEU  19   5.490  -1.184   1.749
  402   1HD2  LEU  19          1HD2      LEU  19   7.886   1.397   3.411
  403   2HD2  LEU  19          2HD2      LEU  19   6.527   2.521   3.421
  404   3HD2  LEU  19          3HD2      LEU  19   6.437   1.023   4.346
  405    H    LYS  20           H        LYS  20   5.536   2.476  -1.042
  406    HA   LYS  20           HA       LYS  20   6.749   2.028  -3.420
  407   1HB   LYS  20          1HB       LYS  20   4.247   2.709  -2.688
  408   2HB   LYS  20          2HB       LYS  20   4.737   4.197  -3.483
  409   1HG   LYS  20          1HG       LYS  20   5.370   2.827  -5.476
  410   2HG   LYS  20          2HG       LYS  20   4.638   1.438  -4.673
  411   1HD   LYS  20          1HD       LYS  20   3.013   3.911  -4.875
  412   2HD   LYS  20          2HD       LYS  20   3.282   2.995  -6.358
  413   1HE   LYS  20          1HE       LYS  20   2.107   1.175  -5.612
  414   2HE   LYS  20          2HE       LYS  20   2.442   1.519  -3.915
  415   1HZ   LYS  20          1HZ       LYS  20   0.956   3.635  -4.615
  416   2HZ   LYS  20          2HZ       LYS  20   0.272   2.435  -5.591
  417   3HZ   LYS  20          3HZ       LYS  20   0.332   2.229  -3.913
  418    H    GLN  21           H        GLN  21   6.828   4.996  -1.592
  419    HA   GLN  21           HA       GLN  21   7.992   6.524  -3.748
  420   1HB   GLN  21          1HB       GLN  21   6.459   7.587  -2.165
  421   2HB   GLN  21          2HB       GLN  21   7.561   7.227  -0.844
  422   1HG   GLN  21          1HG       GLN  21   8.183   9.363  -1.224
  423   2HG   GLN  21          2HG       GLN  21   9.239   8.580  -2.398
  424   1HE2  GLN  21          2HE2      GLN  21   8.029  11.287  -2.300
  425   2HE2  GLN  21          1HE2      GLN  21   7.202  11.467  -3.806
  426    H    LYS  22           H        LYS  22   9.090   5.067  -0.713
  427    HA   LYS  22           HA       LYS  22  11.790   6.050  -1.140
  428   1HB   LYS  22          1HB       LYS  22  12.283   5.026   1.033
  429   2HB   LYS  22          2HB       LYS  22  10.896   6.104   1.114
  430   1HG   LYS  22          1HG       LYS  22   9.634   4.480   1.923
  431   2HG   LYS  22          2HG       LYS  22   9.985   3.467   0.522
  432   1HD   LYS  22          1HD       LYS  22  10.768   2.168   2.271
  433   2HD   LYS  22          2HD       LYS  22  12.230   3.003   1.744
  434   1HE   LYS  22          1HE       LYS  22  12.029   3.006   4.179
  435   2HE   LYS  22          2HE       LYS  22  11.951   4.641   3.524
  436   1HZ   LYS  22          1HZ       LYS  22   9.472   3.136   4.039
  437   2HZ   LYS  22          2HZ       LYS  22  10.263   3.920   5.312
  438   3HZ   LYS  22          3HZ       LYS  22   9.712   4.810   3.984
  439    H    VAL  23           H        VAL  23  10.014   3.188  -1.832
  440    HA   VAL  23           HA       VAL  23  11.749   1.118  -1.592
  441    HB   VAL  23           HB       VAL  23  10.017   1.668  -4.005
  442   1HG1  VAL  23          1HG1      VAL  23  11.274  -0.913  -3.072
  443   2HG1  VAL  23          2HG1      VAL  23  10.115  -0.754  -4.393
  444   3HG1  VAL  23          3HG1      VAL  23  11.707  -0.007  -4.522
  445   1HG2  VAL  23          1HG2      VAL  23   9.423   0.926  -1.291
  446   2HG2  VAL  23          2HG2      VAL  23   8.323   1.295  -2.615
  447   3HG2  VAL  23          3HG2      VAL  23   8.922  -0.349  -2.401
  448    H    GLN  24           H        GLN  24  11.613   3.181  -4.508
  449    HA   GLN  24           HA       GLN  24  13.950   2.116  -5.670
  450   1HB   GLN  24          1HB       GLN  24  13.896   4.252  -7.043
  451   2HB   GLN  24          2HB       GLN  24  12.459   3.241  -7.115
  452   1HG   GLN  24          1HG       GLN  24  11.220   4.965  -6.515
  453   2HG   GLN  24          2HG       GLN  24  12.095   5.061  -4.988
  454   1HE2  GLN  24          2HE2      GLN  24  11.683   7.349  -5.139
  455   2HE2  GLN  24          1HE2      GLN  24  12.721   8.344  -6.097
  456    H    ALA  25           H        ALA  25  13.425   4.614  -3.305
  457    HA   ALA  25           HA       ALA  25  15.969   5.864  -3.533
  458   1HB   ALA  25          1HB       ALA  25  13.840   5.872  -1.418
  459   2HB   ALA  25          2HB       ALA  25  15.377   6.707  -1.190
  460   3HB   ALA  25          3HB       ALA  25  14.312   7.166  -2.519
  461    H    LEU  26           H        LEU  26  14.711   3.184  -1.630
  462    HA   LEU  26           HA       LEU  26  16.932   2.922   0.105
  463   1HB   LEU  26          1HB       LEU  26  14.940   0.836  -0.791
  464   2HB   LEU  26          2HB       LEU  26  16.049   0.667   0.556
  465    HG   LEU  26           HG       LEU  26  13.776   2.640   0.364
  466   1HD1  LEU  26          1HD1      LEU  26  14.178   0.080   1.876
  467   2HD1  LEU  26          2HD1      LEU  26  13.007   1.298   2.382
  468   3HD1  LEU  26          3HD1      LEU  26  12.854   0.530   0.802
  469   1HD2  LEU  26          1HD2      LEU  26  15.908   2.230   2.444
  470   2HD2  LEU  26          2HD2      LEU  26  15.484   3.714   1.591
  471   3HD2  LEU  26          3HD2      LEU  26  14.379   3.039   2.788
  472    H    ARG  27           H        ARG  27  15.983   0.904  -2.682
  473    HA   ARG  27           HA       ARG  27  18.298  -0.613  -2.837
  474   1HB   ARG  27          1HB       ARG  27  17.681  -0.894  -5.278
  475   2HB   ARG  27          2HB       ARG  27  16.432  -1.312  -4.113
  476   1HG   ARG  27          1HG       ARG  27  15.845   1.290  -4.583
  477   2HG   ARG  27          2HG       ARG  27  16.495   0.799  -6.147
  478   1HD   ARG  27          1HD       ARG  27  14.873  -1.306  -5.531
  479   2HD   ARG  27          2HD       ARG  27  13.990   0.047  -4.824
  480    HE   ARG  27           HE       ARG  27  13.412   0.668  -6.933
  481   1HH1  ARG  27          1HH1      ARG  27  16.340  -1.221  -7.129
  482   2HH1  ARG  27          2HH1      ARG  27  16.394  -1.188  -8.860
  483   1HH2  ARG  27          1HH2      ARG  27  13.481   0.714  -9.208
  484   2HH2  ARG  27          2HH2      ARG  27  14.771  -0.090 -10.041
  485    H    HIS  28           H        HIS  28  17.621   2.576  -4.167
  486    HA   HIS  28           HA       HIS  28  19.921   2.773  -5.794
  487   1HB   HIS  28          1HB       HIS  28  17.871   4.632  -4.747
  488   2HB   HIS  28          2HB       HIS  28  19.416   5.363  -5.173
  489    HD1  HIS  28           HD1      HIS  28  16.461   3.614  -6.708
  490    HD2  HIS  28           HD2      HIS  28  19.997   5.457  -7.874
  491    HE1  HIS  28           HE1      HIS  28  16.322   3.895  -9.218
  492    H    LYS  29           H        LYS  29  19.286   3.672  -2.434
  493    HA   LYS  29           HA       LYS  29  21.727   4.967  -1.933
  494   1HB   LYS  29          1HB       LYS  29  19.421   4.227  -0.454
  495   2HB   LYS  29          2HB       LYS  29  20.817   3.620   0.426
  496   1HG   LYS  29          1HG       LYS  29  21.796   5.944   0.204
  497   2HG   LYS  29          2HG       LYS  29  20.198   6.454  -0.343
  498   1HD   LYS  29          1HD       LYS  29  19.270   6.227   1.718
  499   2HD   LYS  29          2HD       LYS  29  20.305   4.864   2.151
  500   1HE   LYS  29          1HE       LYS  29  21.749   7.384   1.812
  501   2HE   LYS  29          2HE       LYS  29  20.551   7.422   3.105
  502   1HZ   LYS  29          1HZ       LYS  29  22.572   5.268   2.852
  503   2HZ   LYS  29          2HZ       LYS  29  22.839   6.672   3.756
  504   3HZ   LYS  29          3HZ       LYS  29  21.588   5.618   4.184
  505    H    GLY  30           H        GLY  30  20.834   1.589  -1.984
  506   1HA   GLY  30          1HA       GLY  30  23.275   0.705  -0.716
  507   2HA   GLY  30          2HA       GLY  30  22.040  -0.318  -1.434
  508   1HN   NH2  31          1HN       NH2  31  24.327   2.166  -2.555
  509   2HN   NH2  31          2HN       NH2  31  24.914   1.258  -3.902
  Start of MODEL   12
    1   1H    ACE   0          1H        ACE   0 -19.116   6.360  -1.853
    2   2H    ACE   0          2H        ACE   0 -19.734   7.306  -3.206
    3   3H    ACE   0          3H        ACE   0 -18.015   6.928  -3.108
    4    H    GLU   1           H        GLU   1 -17.797   5.764  -4.984
    5    HA   GLU   1           HA       GLU   1 -19.606   3.871  -5.976
    6   1HB   GLU   1          1HB       GLU   1 -16.663   4.317  -6.412
    7   2HB   GLU   1          2HB       GLU   1 -17.513   2.995  -7.201
    8   1HG   GLU   1          1HG       GLU   1 -19.058   5.305  -7.624
    9   2HG   GLU   1          2HG       GLU   1 -17.380   5.753  -7.929
   10    H    VAL   2           H        VAL   2 -20.129   1.914  -5.293
   11    HA   VAL   2           HA       VAL   2 -18.988   0.722  -3.015
   12    HB   VAL   2           HB       VAL   2 -20.641  -0.692  -5.106
   13   1HG1  VAL   2          1HG1      VAL   2 -19.407  -1.753  -2.949
   14   2HG1  VAL   2          2HG1      VAL   2 -20.952  -1.283  -2.240
   15   3HG1  VAL   2          3HG1      VAL   2 -20.913  -2.370  -3.628
   16   1HG2  VAL   2          1HG2      VAL   2 -21.411   1.255  -2.975
   17   2HG2  VAL   2          2HG2      VAL   2 -21.994   1.118  -4.633
   18   3HG2  VAL   2          3HG2      VAL   2 -22.516  -0.047  -3.416
   19    H    ALA   3           H        ALA   3 -19.033  -0.635  -6.321
   20    HA   ALA   3           HA       ALA   3 -17.183  -2.643  -5.924
   21   1HB   ALA   3          1HB       ALA   3 -18.648  -2.174  -7.965
   22   2HB   ALA   3          2HB       ALA   3 -17.332  -1.135  -8.514
   23   3HB   ALA   3          3HB       ALA   3 -17.045  -2.855  -8.249
   24    H    GLN   4           H        GLN   4 -16.527   0.625  -7.200
   25    HA   GLN   4           HA       GLN   4 -13.793   0.410  -7.527
   26   1HB   GLN   4          1HB       GLN   4 -15.415   2.810  -6.668
   27   2HB   GLN   4          2HB       GLN   4 -13.738   2.886  -7.194
   28   1HG   GLN   4          1HG       GLN   4 -15.465   1.497  -9.080
   29   2HG   GLN   4          2HG       GLN   4 -15.948   3.167  -8.791
   30   1HE2  GLN   4          2HE2      GLN   4 -14.936   2.109 -11.225
   31   2HE2  GLN   4          1HE2      GLN   4 -13.453   2.923 -11.572
   32    H    LEU   5           H        LEU   5 -15.629   1.053  -4.595
   33    HA   LEU   5           HA       LEU   5 -13.335   1.637  -2.991
   34   1HB   LEU   5          1HB       LEU   5 -16.224   1.087  -2.418
   35   2HB   LEU   5          2HB       LEU   5 -15.061   1.156  -1.108
   36    HG   LEU   5           HG       LEU   5 -15.513   3.403  -3.070
   37   1HD1  LEU   5          1HD1      LEU   5 -16.871   2.688  -0.533
   38   2HD1  LEU   5          2HD1      LEU   5 -16.500   4.389  -0.820
   39   3HD1  LEU   5          3HD1      LEU   5 -17.499   3.497  -1.969
   40   1HD2  LEU   5          1HD2      LEU   5 -13.299   3.332  -1.987
   41   2HD2  LEU   5          2HD2      LEU   5 -14.253   4.730  -1.493
   42   3HD2  LEU   5          3HD2      LEU   5 -14.093   3.346  -0.412
   43    H    GLU   6           H        GLU   6 -15.135  -1.238  -3.822
   44    HA   GLU   6           HA       GLU   6 -13.928  -2.879  -1.793
   45   1HB   GLU   6          1HB       GLU   6 -15.633  -3.469  -4.205
   46   2HB   GLU   6          2HB       GLU   6 -14.950  -4.750  -3.212
   47   1HG   GLU   6          1HG       GLU   6 -16.076  -3.513  -1.249
   48   2HG   GLU   6          2HG       GLU   6 -17.023  -2.718  -2.505
   49    H    LYS   7           H        LYS   7 -13.350  -2.154  -5.176
   50    HA   LYS   7           HA       LYS   7 -11.339  -4.183  -5.498
   51   1HB   LYS   7          1HB       LYS   7 -11.740  -1.789  -7.284
   52   2HB   LYS   7          2HB       LYS   7 -11.064  -3.356  -7.705
   53   1HG   LYS   7          1HG       LYS   7 -13.810  -3.468  -6.700
   54   2HG   LYS   7          2HG       LYS   7 -13.617  -2.564  -8.203
   55   1HD   LYS   7          1HD       LYS   7 -12.608  -5.367  -7.726
   56   2HD   LYS   7          2HD       LYS   7 -14.104  -4.959  -8.569
   57   1HE   LYS   7          1HE       LYS   7 -12.788  -5.071 -10.397
   58   2HE   LYS   7          2HE       LYS   7 -12.360  -3.426  -9.931
   59   1HZ   LYS   7          1HZ       LYS   7 -10.783  -5.459  -8.633
   60   2HZ   LYS   7          2HZ       LYS   7 -10.602  -5.431 -10.314
   61   3HZ   LYS   7          3HZ       LYS   7 -10.291  -4.037  -9.406
   62    H    GLU   8           H        GLU   8 -11.429  -0.827  -4.566
   63    HA   GLU   8           HA       GLU   8  -8.769  -0.113  -5.019
   64   1HB   GLU   8          1HB       GLU   8 -10.702   1.376  -4.301
   65   2HB   GLU   8          2HB       GLU   8 -10.392   0.826  -2.661
   66   1HG   GLU   8          1HG       GLU   8  -8.174   1.755  -2.720
   67   2HG   GLU   8          2HG       GLU   8  -8.365   2.189  -4.418
   68    H    VAL   9           H        VAL   9 -10.189  -2.154  -2.606
   69    HA   VAL   9           HA       VAL   9  -8.018  -2.050  -0.750
   70    HB   VAL   9           HB       VAL   9 -10.242  -4.069  -1.082
   71   1HG1  VAL   9          1HG1      VAL   9  -8.292  -5.084   0.011
   72   2HG1  VAL   9          2HG1      VAL   9  -8.291  -3.784   1.202
   73   3HG1  VAL   9          3HG1      VAL   9  -9.649  -4.907   1.122
   74   1HG2  VAL   9          1HG2      VAL   9  -9.857  -1.772   0.830
   75   2HG2  VAL   9          2HG2      VAL   9 -11.059  -1.891  -0.453
   76   3HG2  VAL   9          3HG2      VAL   9 -11.148  -2.967   0.942
   77    H    ALA  10           H        ALA  10  -9.142  -4.656  -2.918
   78    HA   ALA  10           HA       ALA  10  -6.984  -6.361  -2.638
   79   1HB   ALA  10          1HB       ALA  10  -9.061  -5.938  -4.698
   80   2HB   ALA  10          2HB       ALA  10  -7.638  -6.855  -5.193
   81   3HB   ALA  10          3HB       ALA  10  -8.608  -7.402  -3.825
   82    H    GLN  11           H        GLN  11  -7.219  -3.381  -4.389
   83    HA   GLN  11           HA       GLN  11  -5.002  -3.755  -6.119
   84   1HB   GLN  11          1HB       GLN  11  -6.673  -2.071  -6.606
   85   2HB   GLN  11          2HB       GLN  11  -6.335  -1.243  -5.094
   86   1HG   GLN  11          1HG       GLN  11  -3.928  -1.506  -6.632
   87   2HG   GLN  11          2HG       GLN  11  -5.199  -0.769  -7.607
   88   1HE2  GLN  11          2HE2      GLN  11  -2.709   0.325  -6.421
   89   2HE2  GLN  11          1HE2      GLN  11  -3.212   1.699  -5.505
   90    H    LEU  12           H        LEU  12  -5.365  -2.129  -2.971
   91    HA   LEU  12           HA       LEU  12  -2.525  -1.603  -2.818
   92   1HB   LEU  12          1HB       LEU  12  -4.601  -1.273  -0.656
   93   2HB   LEU  12          2HB       LEU  12  -3.003  -0.554  -0.705
   94    HG   LEU  12           HG       LEU  12  -5.110   0.078  -2.760
   95   1HD1  LEU  12          1HD1      LEU  12  -4.524   1.500  -0.170
   96   2HD1  LEU  12          2HD1      LEU  12  -5.535   2.132  -1.470
   97   3HD1  LEU  12          3HD1      LEU  12  -6.020   0.674  -0.603
   98   1HD2  LEU  12          1HD2      LEU  12  -2.454   1.232  -1.979
   99   2HD2  LEU  12          2HD2      LEU  12  -3.020   0.725  -3.571
  100   3HD2  LEU  12          3HD2      LEU  12  -3.659   2.195  -2.835
  101    H    GLU  13           H        GLU  13  -4.811  -3.926  -1.530
  102    HA   GLU  13           HA       GLU  13  -3.239  -4.996   0.523
  103   1HB   GLU  13          1HB       GLU  13  -5.588  -5.871  -1.037
  104   2HB   GLU  13          2HB       GLU  13  -4.645  -7.164  -0.307
  105   1HG   GLU  13          1HG       GLU  13  -4.890  -6.116   1.881
  106   2HG   GLU  13          2HG       GLU  13  -5.826  -4.812   1.154
  107    H    ALA  14           H        ALA  14  -3.014  -5.323  -2.911
  108    HA   ALA  14           HA       ALA  14  -1.290  -7.661  -2.752
  109   1HB   ALA  14          1HB       ALA  14  -2.508  -6.104  -4.997
  110   2HB   ALA  14          2HB       ALA  14  -1.162  -7.202  -5.300
  111   3HB   ALA  14          3HB       ALA  14  -2.663  -7.817  -4.609
  112    H    GLU  15           H        GLU  15  -1.083  -4.206  -3.373
  113    HA   GLU  15           HA       GLU  15   1.746  -4.347  -3.998
  114   1HB   GLU  15          1HB       GLU  15   0.146  -2.725  -5.090
  115   2HB   GLU  15          2HB       GLU  15   0.068  -1.876  -3.552
  116   1HG   GLU  15          1HG       GLU  15   1.735  -0.654  -4.391
  117   2HG   GLU  15          2HG       GLU  15   2.748  -2.021  -3.931
  118    H    ASN  16           H        ASN  16  -0.242  -2.750  -1.499
  119    HA   ASN  16           HA       ASN  16   1.763  -1.783   0.119
  120   1HB   ASN  16          1HB       ASN  16  -0.634  -1.317   0.449
  121   2HB   ASN  16          2HB       ASN  16  -0.877  -2.966   1.013
  122   1HD2  ASN  16          2HD2      ASN  16  -1.678  -2.116   2.967
  123   2HD2  ASN  16          1HD2      ASN  16  -0.609  -1.509   4.181
  124    H    TYR  17           H        TYR  17   0.666  -5.068  -0.246
  125    HA   TYR  17           HA       TYR  17   2.120  -6.002   2.083
  126   1HB   TYR  17          1HB       TYR  17   0.022  -7.091   1.594
  127   2HB   TYR  17          2HB       TYR  17   0.541  -7.454  -0.047
  128    HD1  TYR  17           HD1      TYR  17   1.317  -8.185   3.516
  129    HD2  TYR  17           HD2      TYR  17   1.613  -9.478  -0.526
  130    HE1  TYR  17           HE1      TYR  17   2.183 -10.357   4.281
  131    HE2  TYR  17           HE2      TYR  17   2.478 -11.653   0.226
  132    HH   TYR  17           HH       TYR  17   3.620 -12.604   2.183
  133    H    GLN  18           H        GLN  18   2.335  -6.277  -1.443
  134    HA   GLN  18           HA       GLN  18   4.603  -7.939  -1.513
  135   1HB   GLN  18          1HB       GLN  18   3.154  -6.218  -3.439
  136   2HB   GLN  18          2HB       GLN  18   4.818  -6.616  -3.848
  137   1HG   GLN  18          1HG       GLN  18   3.956  -9.055  -3.205
  138   2HG   GLN  18          2HG       GLN  18   2.426  -8.344  -3.719
  139   1HE2  GLN  18          2HE2      GLN  18   4.929 -10.121  -4.755
  140   2HE2  GLN  18          1HE2      GLN  18   4.921  -9.722  -6.437
  141    H    LEU  19           H        LEU  19   4.279  -4.595  -0.791
  142    HA   LEU  19           HA       LEU  19   7.079  -4.035  -1.379
  143   1HB   LEU  19          1HB       LEU  19   4.928  -2.235  -0.271
  144   2HB   LEU  19          2HB       LEU  19   6.536  -1.731  -0.752
  145    HG   LEU  19           HG       LEU  19   4.589  -2.972  -2.685
  146   1HD1  LEU  19          1HD1      LEU  19   4.807  -0.178  -1.699
  147   2HD1  LEU  19          2HD1      LEU  19   4.488  -0.442  -3.413
  148   3HD1  LEU  19          3HD1      LEU  19   3.387  -1.095  -2.200
  149   1HD2  LEU  19          1HD2      LEU  19   7.238  -2.636  -2.951
  150   2HD2  LEU  19          2HD2      LEU  19   6.106  -2.525  -4.299
  151   3HD2  LEU  19          3HD2      LEU  19   6.680  -1.058  -3.505
  152    H    GLU  20           H        GLU  20   4.878  -3.742   1.414
  153    HA   GLU  20           HA       GLU  20   6.651  -3.074   3.379
  154   1HB   GLU  20          1HB       GLU  20   4.127  -3.453   3.538
  155   2HB   GLU  20          2HB       GLU  20   4.512  -5.142   3.838
  156   1HG   GLU  20          1HG       GLU  20   5.791  -4.520   5.808
  157   2HG   GLU  20          2HG       GLU  20   5.460  -2.816   5.497
  158    H    GLN  21           H        GLN  21   6.323  -6.163   1.802
  159    HA   GLN  21           HA       GLN  21   8.032  -7.500   3.732
  160   1HB   GLN  21          1HB       GLN  21   6.042  -8.348   1.966
  161   2HB   GLN  21          2HB       GLN  21   7.534  -8.992   1.296
  162   1HG   GLN  21          1HG       GLN  21   7.998 -10.230   3.232
  163   2HG   GLN  21          2HG       GLN  21   6.810  -9.341   4.185
  164   1HE2  GLN  21          2HE2      GLN  21   7.230 -11.686   1.612
  165   2HE2  GLN  21          1HE2      GLN  21   5.674 -12.422   1.772
  166    H    GLU  22           H        GLU  22   8.239  -6.046   0.569
  167    HA   GLU  22           HA       GLU  22  10.845  -7.162   0.005
  168   1HB   GLU  22          1HB       GLU  22   8.797  -5.925  -1.502
  169   2HB   GLU  22          2HB       GLU  22  10.217  -4.900  -1.651
  170   1HG   GLU  22          1HG       GLU  22  11.511  -6.669  -2.545
  171   2HG   GLU  22          2HG       GLU  22  10.281  -7.863  -2.135
  172    H    VAL  23           H        VAL  23   9.506  -4.138   1.181
  173    HA   VAL  23           HA       VAL  23  11.791  -2.533   0.993
  174    HB   VAL  23           HB       VAL  23   9.777  -2.328   3.226
  175   1HG1  VAL  23          1HG1      VAL  23  11.993  -0.859   2.775
  176   2HG1  VAL  23          2HG1      VAL  23  10.811   0.051   1.834
  177   3HG1  VAL  23          3HG1      VAL  23  10.540  -0.233   3.553
  178   1HG2  VAL  23          1HG2      VAL  23   9.284  -2.214   0.399
  179   2HG2  VAL  23          2HG2      VAL  23   8.148  -2.046   1.738
  180   3HG2  VAL  23          3HG2      VAL  23   9.003  -0.631   1.125
  181    H    ALA  24           H        ALA  24  10.876  -4.985   3.299
  182    HA   ALA  24           HA       ALA  24  12.662  -4.309   5.373
  183   1HB   ALA  24          1HB       ALA  24  10.680  -6.112   5.128
  184   2HB   ALA  24          2HB       ALA  24  12.081  -7.170   4.959
  185   3HB   ALA  24          3HB       ALA  24  11.899  -6.170   6.400
  186    H    GLN  25           H        GLN  25  13.064  -6.045   2.373
  187    HA   GLN  25           HA       GLN  25  15.704  -7.008   3.096
  188   1HB   GLN  25          1HB       GLN  25  13.829  -7.407   0.827
  189   2HB   GLN  25          2HB       GLN  25  15.543  -7.580   0.480
  190   1HG   GLN  25          1HG       GLN  25  15.650  -9.195   2.412
  191   2HG   GLN  25          2HG       GLN  25  13.887  -9.151   2.429
  192   1HE2  GLN  25          2HE2      GLN  25  16.402  -9.360  -0.073
  193   2HE2  GLN  25          1HE2      GLN  25  15.718 -10.721  -0.886
  194    H    LEU  26           H        LEU  26  14.234  -4.492   1.142
  195    HA   LEU  26           HA       LEU  26  16.461  -3.678  -0.332
  196   1HB   LEU  26          1HB       LEU  26  14.164  -2.040   0.742
  197   2HB   LEU  26          2HB       LEU  26  15.317  -1.467  -0.448
  198    HG   LEU  26           HG       LEU  26  13.437  -3.798  -0.834
  199   1HD1  LEU  26          1HD1      LEU  26  13.220  -0.905  -1.383
  200   2HD1  LEU  26          2HD1      LEU  26  12.680  -1.995  -2.660
  201   3HD1  LEU  26          3HD1      LEU  26  11.964  -2.097  -1.052
  202   1HD2  LEU  26          1HD2      LEU  26  15.688  -2.694  -2.402
  203   2HD2  LEU  26          2HD2      LEU  26  15.069  -4.343  -2.307
  204   3HD2  LEU  26          3HD2      LEU  26  14.236  -3.145  -3.297
  205    H    GLU  27           H        GLU  27  15.187  -2.016   2.559
  206    HA   GLU  27           HA       GLU  27  17.818  -0.863   3.031
  207   1HB   GLU  27          1HB       GLU  27  16.668   0.449   4.787
  208   2HB   GLU  27          2HB       GLU  27  15.918   0.630   3.207
  209   1HG   GLU  27          1HG       GLU  27  13.972  -0.107   3.959
  210   2HG   GLU  27          2HG       GLU  27  14.714  -1.538   4.671
  211    H    HIS  28           H        HIS  28  18.094  -3.478   3.369
  212    HA   HIS  28           HA       HIS  28  17.473  -4.579   5.860
  213   1HB   HIS  28          1HB       HIS  28  19.138  -6.246   5.387
  214   2HB   HIS  28          2HB       HIS  28  18.340  -5.834   3.872
  215    HD1  HIS  28           HD1      HIS  28  19.802  -3.874   2.458
  216    HD2  HIS  28           HD2      HIS  28  21.799  -6.295   5.182
  217    HE1  HIS  28           HE1      HIS  28  22.255  -3.750   1.854
  218    H    GLU  29           H        GLU  29  20.328  -2.756   4.810
  219    HA   GLU  29           HA       GLU  29  21.649  -2.932   7.332
  220   1HB   GLU  29          1HB       GLU  29  22.658  -2.458   4.999
  221   2HB   GLU  29          2HB       GLU  29  22.174  -0.792   5.286
  222   1HG   GLU  29          1HG       GLU  29  23.654  -2.004   7.496
  223   2HG   GLU  29          2HG       GLU  29  24.563  -1.883   5.990
  224    H    GLY  30           H        GLY  30  19.768  -0.388   5.713
  225   1HA   GLY  30          1HA       GLY  30  18.518   1.323   6.625
  226   2HA   GLY  30          2HA       GLY  30  18.798   0.615   8.209
  227   1HN   NH2  31          1HN       NH2  31  20.827   1.093   9.267
  228   2HN   NH2  31          2HN       NH2  31  21.621   2.595   8.950
  229   1H    ACE   0          1H        ACE   0 -18.228  -5.613   4.869
  230   2H    ACE   0          2H        ACE   0 -16.742  -5.182   4.022
  231   3H    ACE   0          3H        ACE   0 -17.705  -6.553   3.472
  232    H    GLU   1           H        GLU   1 -19.195  -3.593   4.556
  233    HA   GLU   1           HA       GLU   1 -20.346  -3.216   1.914
  234   1HB   GLU   1          1HB       GLU   1 -20.972  -1.463   4.261
  235   2HB   GLU   1          2HB       GLU   1 -22.010  -1.939   2.924
  236   1HG   GLU   1          1HG       GLU   1 -22.913  -3.441   4.274
  237   2HG   GLU   1          2HG       GLU   1 -21.389  -4.323   4.207
  238    H    VAL   2           H        VAL   2 -20.854  -0.511   1.901
  239    HA   VAL   2           HA       VAL   2 -18.704   0.576   0.625
  240    HB   VAL   2           HB       VAL   2 -20.795   2.066   2.210
  241   1HG1  VAL   2          1HG1      VAL   2 -18.800   3.032   0.172
  242   2HG1  VAL   2          2HG1      VAL   2 -20.244   3.938   0.618
  243   3HG1  VAL   2          3HG1      VAL   2 -19.013   3.592   1.831
  244   1HG2  VAL   2          1HG2      VAL   2 -20.657   1.053  -0.609
  245   2HG2  VAL   2          2HG2      VAL   2 -21.927   0.822   0.593
  246   3HG2  VAL   2          3HG2      VAL   2 -21.706   2.399  -0.164
  247    H    GLN   3           H        GLN   3 -19.516   2.323   3.542
  248    HA   GLN   3           HA       GLN   3 -17.011   3.239   4.138
  249   1HB   GLN   3          1HB       GLN   3 -19.454   3.566   5.247
  250   2HB   GLN   3          2HB       GLN   3 -18.687   2.576   6.482
  251   1HG   GLN   3          1HG       GLN   3 -17.145   4.188   7.015
  252   2HG   GLN   3          2HG       GLN   3 -17.242   4.958   5.432
  253   1HE2  GLN   3          2HE2      GLN   3 -17.354   6.318   7.893
  254   2HE2  GLN   3          1HE2      GLN   3 -18.913   7.048   8.034
  255    H    ALA   4           H        ALA   4 -18.495   0.199   5.073
  256    HA   ALA   4           HA       ALA   4 -16.647  -0.676   6.967
  257   1HB   ALA   4          1HB       ALA   4 -18.757  -1.849   5.397
  258   2HB   ALA   4          2HB       ALA   4 -17.399  -2.962   5.549
  259   3HB   ALA   4          3HB       ALA   4 -18.163  -2.300   6.995
  260    H    LEU   5           H        LEU   5 -16.508  -0.724   3.464
  261    HA   LEU   5           HA       LEU   5 -13.805  -1.881   3.601
  262   1HB   LEU   5          1HB       LEU   5 -16.013  -2.088   1.644
  263   2HB   LEU   5          2HB       LEU   5 -14.391  -2.057   0.995
  264    HG   LEU   5           HG       LEU   5 -15.068  -3.979   3.188
  265   1HD1  LEU   5          1HD1      LEU   5 -16.626  -3.931   0.969
  266   2HD1  LEU   5          2HD1      LEU   5 -15.326  -5.006   0.452
  267   3HD1  LEU   5          3HD1      LEU   5 -16.257  -5.382   1.902
  268   1HD2  LEU   5          1HD2      LEU   5 -12.727  -3.493   2.190
  269   2HD2  LEU   5          2HD2      LEU   5 -13.228  -5.167   2.431
  270   3HD2  LEU   5          3HD2      LEU   5 -13.298  -4.447   0.821
  271    H    LYS   6           H        LYS   6 -15.470   0.965   3.142
  272    HA   LYS   6           HA       LYS   6 -13.754   2.161   1.170
  273   1HB   LYS   6          1HB       LYS   6 -15.704   3.271   0.971
  274   2HB   LYS   6          2HB       LYS   6 -16.229   2.773   2.561
  275   1HG   LYS   6          1HG       LYS   6 -16.206   5.107   2.632
  276   2HG   LYS   6          2HG       LYS   6 -14.731   4.625   3.470
  277   1HD   LYS   6          1HD       LYS   6 -13.386   5.491   1.869
  278   2HD   LYS   6          2HD       LYS   6 -14.481   5.043   0.561
  279   1HE   LYS   6          1HE       LYS   6 -15.269   7.116   0.475
  280   2HE   LYS   6          2HE       LYS   6 -15.741   7.032   2.172
  281   1HZ   LYS   6          1HZ       LYS   6 -13.170   7.468   2.475
  282   2HZ   LYS   6          2HZ       LYS   6 -13.355   8.201   0.961
  283   3HZ   LYS   6          3HZ       LYS   6 -14.273   8.736   2.277
  284    H    LYS   7           H        LYS   7 -14.037   2.111   4.666
  285    HA   LYS   7           HA       LYS   7 -11.965   4.124   4.983
  286   1HB   LYS   7          1HB       LYS   7 -12.384   3.908   7.371
  287   2HB   LYS   7          2HB       LYS   7 -13.897   4.121   6.502
  288   1HG   LYS   7          1HG       LYS   7 -13.758   1.430   6.573
  289   2HG   LYS   7          2HG       LYS   7 -12.917   1.837   8.070
  290   1HD   LYS   7          1HD       LYS   7 -15.636   2.892   7.297
  291   2HD   LYS   7          2HD       LYS   7 -15.365   1.508   8.358
  292   1HE   LYS   7          1HE       LYS   7 -13.885   3.149   9.709
  293   2HE   LYS   7          2HE       LYS   7 -14.758   4.401   8.828
  294   1HZ   LYS   7          1HZ       LYS   7 -16.391   2.336  10.056
  295   2HZ   LYS   7          2HZ       LYS   7 -15.596   3.375  11.128
  296   3HZ   LYS   7          3HZ       LYS   7 -16.646   4.007   9.963
  297    H    ARG   8           H        ARG   8 -12.220   0.708   4.798
  298    HA   ARG   8           HA       ARG   8  -9.899   0.095   6.350
  299   1HB   ARG   8          1HB       ARG   8 -10.265  -2.129   5.787
  300   2HB   ARG   8          2HB       ARG   8 -11.882  -1.447   5.741
  301   1HG   ARG   8          1HG       ARG   8 -12.077  -2.367   3.727
  302   2HG   ARG   8          2HG       ARG   8 -10.966  -1.123   3.153
  303   1HD   ARG   8          1HD       ARG   8  -9.592  -2.771   2.558
  304   2HD   ARG   8          2HD       ARG   8  -9.316  -3.056   4.274
  305    HE   ARG   8           HE       ARG   8 -11.030  -4.597   2.492
  306   1HH1  ARG   8          1HH1      ARG   8  -9.888  -4.035   5.750
  307   2HH1  ARG   8          2HH1      ARG   8 -10.401  -5.585   6.324
  308   1HH2  ARG   8          1HH2      ARG   8 -11.703  -6.630   3.257
  309   2HH2  ARG   8          2HH2      ARG   8 -11.428  -7.056   4.913
  310    H    VAL   9           H        VAL   9 -10.479   1.024   3.058
  311    HA   VAL   9           HA       VAL   9  -8.134   0.024   1.872
  312    HB   VAL   9           HB       VAL   9  -9.669   2.512   1.110
  313   1HG1  VAL   9          1HG1      VAL   9  -7.277   2.009   0.171
  314   2HG1  VAL   9          2HG1      VAL   9  -8.136   0.825  -0.814
  315   3HG1  VAL   9          3HG1      VAL   9  -8.568   2.531  -0.910
  316   1HG2  VAL   9          1HG2      VAL   9 -10.716   0.034   1.238
  317   2HG2  VAL   9          2HG2      VAL   9 -11.205   1.242   0.050
  318   3HG2  VAL   9          3HG2      VAL   9 -10.032  -0.001  -0.387
  319    H    GLN  10           H        GLN  10  -8.825   3.166   3.387
  320    HA   GLN  10           HA       GLN  10  -6.448   4.463   2.849
  321   1HB   GLN  10          1HB       GLN  10  -6.949   5.934   4.643
  322   2HB   GLN  10          2HB       GLN  10  -8.493   5.418   3.982
  323   1HG   GLN  10          1HG       GLN  10  -8.149   3.566   5.910
  324   2HG   GLN  10          2HG       GLN  10  -7.306   4.938   6.626
  325   1HE2  GLN  10          2HE2      GLN  10  -9.390   4.149   7.985
  326   2HE2  GLN  10          1HE2      GLN  10 -10.752   5.187   7.768
  327    H    ALA  11           H        ALA  11  -7.041   1.843   5.033
  328    HA   ALA  11           HA       ALA  11  -4.679   2.200   6.610
  329   1HB   ALA  11          1HB       ALA  11  -6.799   0.981   7.295
  330   2HB   ALA  11          2HB       ALA  11  -6.211  -0.365   6.320
  331   3HB   ALA  11          3HB       ALA  11  -5.268   0.204   7.697
  332    H    LEU  12           H        LEU  12  -5.207   1.040   3.468
  333    HA   LEU  12           HA       LEU  12  -2.854  -0.699   3.540
  334   1HB   LEU  12          1HB       LEU  12  -4.385  -0.270   1.030
  335   2HB   LEU  12          2HB       LEU  12  -3.607  -1.719   1.627
  336    HG   LEU  12           HG       LEU  12  -6.068  -0.690   2.992
  337   1HD1  LEU  12          1HD1      LEU  12  -6.596  -0.775   0.597
  338   2HD1  LEU  12          2HD1      LEU  12  -6.045  -2.448   0.546
  339   3HD1  LEU  12          3HD1      LEU  12  -7.454  -2.013   1.513
  340   1HD2  LEU  12          1HD2      LEU  12  -4.849  -3.419   2.599
  341   2HD2  LEU  12          2HD2      LEU  12  -4.862  -2.469   4.085
  342   3HD2  LEU  12          3HD2      LEU  12  -6.372  -3.103   3.430
  343    H    LYS  13           H        LYS  13  -4.136   2.053   1.693
  344    HA   LYS  13           HA       LYS  13  -1.655   2.481   0.324
  345   1HB   LYS  13          1HB       LYS  13  -2.795   4.611  -0.444
  346   2HB   LYS  13          2HB       LYS  13  -3.585   3.105  -0.884
  347   1HG   LYS  13          1HG       LYS  13  -5.245   4.679  -0.199
  348   2HG   LYS  13          2HG       LYS  13  -5.135   3.418   1.026
  349   1HD   LYS  13          1HD       LYS  13  -4.330   4.833   2.599
  350   2HD   LYS  13          2HD       LYS  13  -3.400   5.767   1.427
  351   1HE   LYS  13          1HE       LYS  13  -6.184   6.124   0.903
  352   2HE   LYS  13          2HE       LYS  13  -5.882   6.417   2.615
  353   1HZ   LYS  13          1HZ       LYS  13  -3.991   7.624   0.769
  354   2HZ   LYS  13          2HZ       LYS  13  -5.557   8.261   0.731
  355   3HZ   LYS  13          3HZ       LYS  13  -4.683   8.254   2.179
  356    H    ALA  14           H        ALA  14  -2.933   3.467   3.351
  357    HA   ALA  14           HA       ALA  14  -1.747   5.949   3.740
  358   1HB   ALA  14          1HB       ALA  14  -2.621   3.754   5.534
  359   2HB   ALA  14          2HB       ALA  14  -1.590   5.012   6.215
  360   3HB   ALA  14          3HB       ALA  14  -3.131   5.442   5.474
  361    H    ARG  15           H        ARG  15  -0.425   2.769   4.675
  362    HA   ARG  15           HA       ARG  15   2.173   3.917   5.188
  363   1HB   ARG  15          1HB       ARG  15   1.157   2.006   6.496
  364   2HB   ARG  15          2HB       ARG  15   1.441   0.990   5.089
  365   1HG   ARG  15          1HG       ARG  15   3.186   0.772   6.812
  366   2HG   ARG  15          2HG       ARG  15   3.816   1.327   5.260
  367   1HD   ARG  15          1HD       ARG  15   4.698   2.512   7.315
  368   2HD   ARG  15          2HD       ARG  15   4.054   3.542   6.035
  369    HE   ARG  15           HE       ARG  15   2.135   2.862   8.068
  370   1HH1  ARG  15          1HH1      ARG  15   4.641   5.100   7.121
  371   2HH1  ARG  15          2HH1      ARG  15   4.040   6.386   8.112
  372   1HH2  ARG  15          1HH2      ARG  15   1.344   4.553   9.372
  373   2HH2  ARG  15          2HH2      ARG  15   2.169   6.077   9.390
  374    H    ASN  16           H        ASN  16   0.700   1.817   2.755
  375    HA   ASN  16           HA       ASN  16   2.953   1.092   1.319
  376   1HB   ASN  16          1HB       ASN  16   0.807   0.100   0.848
  377   2HB   ASN  16          2HB       ASN  16   0.147   1.651   0.345
  378   1HD2  ASN  16          2HD2      ASN  16  -0.379   0.187  -1.528
  379   2HD2  ASN  16          1HD2      ASN  16   0.779   0.115  -2.808
  380    H    TYR  17           H        TYR  17   0.988   4.029   1.031
  381    HA   TYR  17           HA       TYR  17   2.143   5.139  -1.226
  382   1HB   TYR  17          1HB       TYR  17   0.182   6.122  -0.185
  383   2HB   TYR  17          2HB       TYR  17   1.114   6.539   1.250
  384    HD1  TYR  17           HD1      TYR  17   2.695   8.397   1.210
  385    HD2  TYR  17           HD2      TYR  17   0.362   7.431  -2.213
  386    HE1  TYR  17           HE1      TYR  17   3.249  10.581   0.225
  387    HE2  TYR  17           HE2      TYR  17   0.909   9.611  -3.209
  388    HH   TYR  17           HH       TYR  17   2.323  12.137  -1.441
  389    H    ALA  18           H        ALA  18   3.310   5.117   2.093
  390    HA   ALA  18           HA       ALA  18   5.459   6.942   1.622
  391   1HB   ALA  18          1HB       ALA  18   4.286   6.157   3.862
  392   2HB   ALA  18          2HB       ALA  18   5.600   4.981   3.851
  393   3HB   ALA  18          3HB       ALA  18   5.961   6.708   3.837
  394    H    LEU  19           H        LEU  19   5.241   3.398   1.888
  395    HA   LEU  19           HA       LEU  19   8.001   2.944   1.455
  396   1HB   LEU  19          1HB       LEU  19   6.037   0.901   0.562
  397   2HB   LEU  19          2HB       LEU  19   7.526   0.702   1.459
  398    HG   LEU  19           HG       LEU  19   4.847   1.571   2.527
  399   1HD1  LEU  19          1HD1      LEU  19   6.502  -0.875   2.633
  400   2HD1  LEU  19          2HD1      LEU  19   5.666  -0.411   4.115
  401   3HD1  LEU  19          3HD1      LEU  19   4.749  -0.686   2.635
  402   1HD2  LEU  19          1HD2      LEU  19   7.583   1.826   3.706
  403   2HD2  LEU  19          2HD2      LEU  19   6.237   2.965   3.741
  404   3HD2  LEU  19          3HD2      LEU  19   6.194   1.519   4.749
  405    H    LYS  20           H        LYS  20   5.210   2.613  -0.739
  406    HA   LYS  20           HA       LYS  20   6.410   1.935  -3.077
  407   1HB   LYS  20          1HB       LYS  20   3.926   2.773  -2.400
  408   2HB   LYS  20          2HB       LYS  20   4.474   4.150  -3.347
  409   1HG   LYS  20          1HG       LYS  20   5.163   2.332  -5.080
  410   2HG   LYS  20          2HG       LYS  20   4.009   1.331  -4.197
  411   1HD   LYS  20          1HD       LYS  20   2.545   3.567  -4.503
  412   2HD   LYS  20          2HD       LYS  20   3.552   3.664  -5.949
  413   1HE   LYS  20          1HE       LYS  20   2.865   1.107  -6.130
  414   2HE   LYS  20          2HE       LYS  20   1.480   1.673  -5.198
  415   1HZ   LYS  20          1HZ       LYS  20   1.598   3.539  -7.088
  416   2HZ   LYS  20          2HZ       LYS  20   2.208   2.219  -7.955
  417   3HZ   LYS  20          3HZ       LYS  20   0.680   2.127  -7.236
  418    H    GLN  21           H        GLN  21   6.602   5.021  -1.469
  419    HA   GLN  21           HA       GLN  21   7.772   6.377  -3.722
  420   1HB   GLN  21          1HB       GLN  21   6.414   7.658  -2.204
  421   2HB   GLN  21          2HB       GLN  21   7.409   7.181  -0.837
  422   1HG   GLN  21          1HG       GLN  21   8.856   8.524  -3.005
  423   2HG   GLN  21          2HG       GLN  21   7.647   9.513  -2.188
  424   1HE2  GLN  21          2HE2      GLN  21  10.253  10.215  -2.027
  425   2HE2  GLN  21          1HE2      GLN  21  10.855   9.932  -0.433
  426    H    LYS  22           H        LYS  22   8.938   5.031  -0.653
  427    HA   LYS  22           HA       LYS  22  11.675   5.777  -1.298
  428   1HB   LYS  22          1HB       LYS  22  12.214   4.829   0.916
  429   2HB   LYS  22          2HB       LYS  22  10.961   6.060   0.994
  430   1HG   LYS  22          1HG       LYS  22   9.579   4.649   1.987
  431   2HG   LYS  22          2HG       LYS  22   9.738   3.502   0.655
  432   1HD   LYS  22          1HD       LYS  22  10.376   2.473   2.773
  433   2HD   LYS  22          2HD       LYS  22  11.762   2.586   1.685
  434   1HE   LYS  22          1HE       LYS  22  12.838   3.519   3.406
  435   2HE   LYS  22          2HE       LYS  22  11.874   4.957   3.072
  436   1HZ   LYS  22          1HZ       LYS  22  10.188   3.571   4.590
  437   2HZ   LYS  22          2HZ       LYS  22  11.656   3.039   5.241
  438   3HZ   LYS  22          3HZ       LYS  22  11.291   4.691   5.214
  439    H    VAL  23           H        VAL  23   9.634   3.034  -1.634
  440    HA   VAL  23           HA       VAL  23  11.236   0.851  -1.378
  441    HB   VAL  23           HB       VAL  23   9.218   1.406  -3.553
  442   1HG1  VAL  23          1HG1      VAL  23  10.957  -0.938  -3.092
  443   2HG1  VAL  23          2HG1      VAL  23   9.255  -1.275  -3.413
  444   3HG1  VAL  23          3HG1      VAL  23  10.206  -0.355  -4.578
  445   1HG2  VAL  23          1HG2      VAL  23   8.950   0.906  -0.808
  446   2HG2  VAL  23          2HG2      VAL  23   7.677   0.909  -2.029
  447   3HG2  VAL  23          3HG2      VAL  23   8.500  -0.595  -1.617
  448    H    GLN  24           H        GLN  24  10.892   2.644  -4.455
  449    HA   GLN  24           HA       GLN  24  13.019   1.326  -5.741
  450   1HB   GLN  24          1HB       GLN  24  12.197   4.132  -6.420
  451   2HB   GLN  24          2HB       GLN  24  12.758   2.859  -7.495
  452   1HG   GLN  24          1HG       GLN  24  10.566   1.658  -6.685
  453   2HG   GLN  24          2HG       GLN  24  10.061   3.310  -6.331
  454   1HE2  GLN  24          2HE2      GLN  24   8.674   1.882  -8.154
  455   2HE2  GLN  24          1HE2      GLN  24   8.966   2.486  -9.746
  456    H    ALA  25           H        ALA  25  12.882   4.189  -3.727
  457    HA   ALA  25           HA       ALA  25  15.429   5.229  -4.276
  458   1HB   ALA  25          1HB       ALA  25  13.334   6.019  -2.744
  459   2HB   ALA  25          2HB       ALA  25  14.495   5.533  -1.510
  460   3HB   ALA  25          3HB       ALA  25  14.935   6.755  -2.702
  461    H    LEU  26           H        LEU  26  14.351   2.829  -1.905
  462    HA   LEU  26           HA       LEU  26  16.781   2.547  -0.533
  463   1HB   LEU  26          1HB       LEU  26  14.601   0.510  -1.001
  464   2HB   LEU  26          2HB       LEU  26  15.899   0.336   0.162
  465    HG   LEU  26           HG       LEU  26  13.643   2.331   0.230
  466   1HD1  LEU  26          1HD1      LEU  26  14.414  -0.074   1.829
  467   2HD1  LEU  26          2HD1      LEU  26  13.443   1.212   2.547
  468   3HD1  LEU  26          3HD1      LEU  26  12.853   0.351   1.127
  469   1HD2  LEU  26          1HD2      LEU  26  16.109   2.173   1.956
  470   2HD2  LEU  26          2HD2      LEU  26  15.623   3.509   0.912
  471   3HD2  LEU  26          3HD2      LEU  26  14.674   3.120   2.348
  472    H    ARG  27           H        ARG  27  15.409   0.321  -2.962
  473    HA   ARG  27           HA       ARG  27  17.621  -1.277  -3.331
  474   1HB   ARG  27          1HB       ARG  27  16.694  -1.608  -5.699
  475   2HB   ARG  27          2HB       ARG  27  15.648  -2.016  -4.348
  476   1HG   ARG  27          1HG       ARG  27  14.960   0.574  -4.782
  477   2HG   ARG  27          2HG       ARG  27  15.360   0.041  -6.414
  478   1HD   ARG  27          1HD       ARG  27  13.875  -2.053  -5.407
  479   2HD   ARG  27          2HD       ARG  27  13.079  -0.631  -4.733
  480    HE   ARG  27           HE       ARG  27  13.371   0.022  -7.335
  481   1HH1  ARG  27          1HH1      ARG  27  12.053  -2.786  -5.734
  482   2HH1  ARG  27          2HH1      ARG  27  10.918  -3.126  -6.996
  483   1HH2  ARG  27          1HH2      ARG  27  11.881  -0.427  -8.996
  484   2HH2  ARG  27          2HH2      ARG  27  10.821  -1.789  -8.849
  485    H    HIS  28           H        HIS  28  17.101   1.962  -4.466
  486    HA   HIS  28           HA       HIS  28  19.177   1.881  -6.454
  487   1HB   HIS  28          1HB       HIS  28  17.061   3.583  -5.914
  488   2HB   HIS  28          2HB       HIS  28  18.470   4.538  -5.467
  489    HD1  HIS  28           HD1      HIS  28  16.393   4.249  -8.221
  490    HD2  HIS  28           HD2      HIS  28  20.518   4.017  -7.782
  491    HE1  HIS  28           HE1      HIS  28  17.377   4.734 -10.499
  492    H    LYS  29           H        LYS  29  18.863   3.708  -3.400
  493    HA   LYS  29           HA       LYS  29  21.697   4.199  -3.310
  494   1HB   LYS  29          1HB       LYS  29  19.766   5.700  -2.435
  495   2HB   LYS  29          2HB       LYS  29  19.820   4.666  -1.013
  496   1HG   LYS  29          1HG       LYS  29  21.516   5.827  -0.202
  497   2HG   LYS  29          2HG       LYS  29  22.475   5.479  -1.641
  498   1HD   LYS  29          1HD       LYS  29  22.138   7.526  -2.499
  499   2HD   LYS  29          2HD       LYS  29  20.433   7.535  -2.048
  500   1HE   LYS  29          1HE       LYS  29  21.459   9.281  -0.823
  501   2HE   LYS  29          2HE       LYS  29  21.176   7.968   0.319
  502   1HZ   LYS  29          1HZ       LYS  29  23.634   7.381  -0.508
  503   2HZ   LYS  29          2HZ       LYS  29  23.680   9.065  -0.660
  504   3HZ   LYS  29          3HZ       LYS  29  23.316   8.361   0.834
  505    H    GLY  30           H        GLY  30  23.045   2.602  -2.787
  506   1HA   GLY  30          1HA       GLY  30  22.197   0.649  -0.752
  507   2HA   GLY  30          2HA       GLY  30  23.450   0.382  -1.955
  508   1HN   NH2  31          1HN       NH2  31  24.249  -0.318   0.380
  509   2HN   NH2  31          2HN       NH2  31  25.259   0.855   1.148
  Start of MODEL   13
    1   1H    ACE   0          1H        ACE   0 -23.961   1.705  -7.541
    2   2H    ACE   0          2H        ACE   0 -23.871   0.785  -6.039
    3   3H    ACE   0          3H        ACE   0 -23.924  -0.058  -7.588
    4    H    GLU   1           H        GLU   1 -21.956   2.029  -5.531
    5    HA   GLU   1           HA       GLU   1 -19.603   1.572  -7.173
    6   1HB   GLU   1          1HB       GLU   1 -18.502   3.013  -5.381
    7   2HB   GLU   1          2HB       GLU   1 -19.717   3.783  -6.390
    8   1HG   GLU   1          1HG       GLU   1 -20.663   2.577  -3.869
    9   2HG   GLU   1          2HG       GLU   1 -19.648   4.011  -3.731
   10    H    VAL   2           H        VAL   2 -21.156   0.013  -4.724
   11    HA   VAL   2           HA       VAL   2 -19.627  -0.902  -2.788
   12    HB   VAL   2           HB       VAL   2 -21.168  -2.577  -4.755
   13   1HG1  VAL   2          1HG1      VAL   2 -19.574  -3.406  -2.407
   14   2HG1  VAL   2          2HG1      VAL   2 -21.190  -4.100  -2.534
   15   3HG1  VAL   2          3HG1      VAL   2 -20.032  -4.316  -3.846
   16   1HG2  VAL   2          1HG2      VAL   2 -22.223  -0.768  -3.225
   17   2HG2  VAL   2          2HG2      VAL   2 -22.983  -2.356  -3.337
   18   3HG2  VAL   2          3HG2      VAL   2 -21.979  -1.956  -1.943
   19    H    ALA   3           H        ALA   3 -19.365  -2.468  -5.991
   20    HA   ALA   3           HA       ALA   3 -17.055  -3.935  -5.417
   21   1HB   ALA   3          1HB       ALA   3 -18.209  -2.989  -8.031
   22   2HB   ALA   3          2HB       ALA   3 -16.807  -4.052  -7.924
   23   3HB   ALA   3          3HB       ALA   3 -18.363  -4.579  -7.284
   24    H    GLN   4           H        GLN   4 -17.412  -0.798  -7.060
   25    HA   GLN   4           HA       GLN   4 -14.770  -0.305  -7.692
   26   1HB   GLN   4          1HB       GLN   4 -16.983   1.572  -6.882
   27   2HB   GLN   4          2HB       GLN   4 -15.406   2.148  -7.405
   28   1HG   GLN   4          1HG       GLN   4 -15.824   0.698  -9.495
   29   2HG   GLN   4          2HG       GLN   4 -17.508   0.721  -8.978
   30   1HE2  GLN   4          2HE2      GLN   4 -16.270   1.856 -11.360
   31   2HE2  GLN   4          1HE2      GLN   4 -16.635   3.545 -11.333
   32    H    LEU   5           H        LEU   5 -16.336  -0.184  -4.588
   33    HA   LEU   5           HA       LEU   5 -14.077   1.154  -3.335
   34   1HB   LEU   5          1HB       LEU   5 -16.567   0.012  -2.069
   35   2HB   LEU   5          2HB       LEU   5 -15.394   1.060  -1.295
   36    HG   LEU   5           HG       LEU   5 -17.057   1.900  -3.666
   37   1HD1  LEU   5          1HD1      LEU   5 -18.283   1.299  -1.459
   38   2HD1  LEU   5          2HD1      LEU   5 -17.571   2.799  -0.864
   39   3HD1  LEU   5          3HD1      LEU   5 -18.642   2.826  -2.266
   40   1HD2  LEU   5          1HD2      LEU   5 -15.201   3.316  -1.779
   41   2HD2  LEU   5          2HD2      LEU   5 -15.160   3.272  -3.541
   42   3HD2  LEU   5          3HD2      LEU   5 -16.424   4.179  -2.712
   43    H    GLU   6           H        GLU   6 -15.585  -2.032  -3.452
   44    HA   GLU   6           HA       GLU   6 -13.999  -3.242  -1.454
   45   1HB   GLU   6          1HB       GLU   6 -15.421  -4.458  -3.829
   46   2HB   GLU   6          2HB       GLU   6 -14.709  -5.384  -2.515
   47   1HG   GLU   6          1HG       GLU   6 -16.347  -3.534  -1.252
   48   2HG   GLU   6          2HG       GLU   6 -17.264  -4.050  -2.666
   49    H    LYS   7           H        LYS   7 -13.708  -3.272  -5.007
   50    HA   LYS   7           HA       LYS   7 -11.346  -4.768  -5.141
   51   1HB   LYS   7          1HB       LYS   7 -12.108  -2.584  -7.077
   52   2HB   LYS   7          2HB       LYS   7 -11.153  -4.024  -7.402
   53   1HG   LYS   7          1HG       LYS   7 -13.501  -5.090  -6.505
   54   2HG   LYS   7          2HG       LYS   7 -14.049  -3.655  -7.371
   55   1HD   LYS   7          1HD       LYS   7 -12.047  -5.494  -8.620
   56   2HD   LYS   7          2HD       LYS   7 -13.764  -5.897  -8.655
   57   1HE   LYS   7          1HE       LYS   7 -13.818  -3.301  -9.444
   58   2HE   LYS   7          2HE       LYS   7 -12.272  -3.825 -10.113
   59   1HZ   LYS   7          1HZ       LYS   7 -14.673  -5.476 -10.523
   60   2HZ   LYS   7          2HZ       LYS   7 -14.426  -4.108 -11.488
   61   3HZ   LYS   7          3HZ       LYS   7 -13.281  -5.355 -11.477
   62    H    GLU   8           H        GLU   8 -11.905  -1.420  -4.400
   63    HA   GLU   8           HA       GLU   8  -9.387  -0.346  -4.932
   64   1HB   GLU   8          1HB       GLU   8 -11.532   0.849  -4.230
   65   2HB   GLU   8          2HB       GLU   8 -11.077   0.462  -2.576
   66   1HG   GLU   8          1HG       GLU   8  -8.980   1.687  -2.876
   67   2HG   GLU   8          2HG       GLU   8  -9.456   2.085  -4.525
   68    H    VAL   9           H        VAL   9 -10.471  -2.440  -2.389
   69    HA   VAL   9           HA       VAL   9  -8.255  -1.946  -0.632
   70    HB   VAL   9           HB       VAL   9 -10.260  -4.210  -0.675
   71   1HG1  VAL   9          1HG1      VAL   9  -8.171  -3.471   1.367
   72   2HG1  VAL   9          2HG1      VAL   9  -9.516  -4.566   1.686
   73   3HG1  VAL   9          3HG1      VAL   9  -8.310  -4.981   0.469
   74   1HG2  VAL   9          1HG2      VAL   9 -10.123  -1.626   0.862
   75   2HG2  VAL   9          2HG2      VAL   9 -11.392  -2.174  -0.234
   76   3HG2  VAL   9          3HG2      VAL   9 -11.166  -2.971   1.324
   77    H    ALA  10           H        ALA  10  -9.226  -4.790  -2.564
   78    HA   ALA  10           HA       ALA  10  -6.915  -6.282  -2.244
   79   1HB   ALA  10          1HB       ALA  10  -9.193  -6.807  -3.438
   80   2HB   ALA  10          2HB       ALA  10  -8.301  -6.325  -4.882
   81   3HB   ALA  10          3HB       ALA  10  -7.720  -7.663  -3.891
   82    H    GLN  11           H        GLN  11  -7.474  -3.470  -4.185
   83    HA   GLN  11           HA       GLN  11  -5.389  -3.760  -6.052
   84   1HB   GLN  11          1HB       GLN  11  -7.142  -2.125  -6.384
   85   2HB   GLN  11          2HB       GLN  11  -6.690  -1.283  -4.909
   86   1HG   GLN  11          1HG       GLN  11  -5.805   0.022  -6.621
   87   2HG   GLN  11          2HG       GLN  11  -4.428  -0.902  -6.024
   88   1HE2  GLN  11          2HE2      GLN  11  -7.039  -1.241  -8.409
   89   2HE2  GLN  11          1HE2      GLN  11  -6.039  -1.877  -9.666
   90    H    LEU  12           H        LEU  12  -5.498  -2.101  -2.903
   91    HA   LEU  12           HA       LEU  12  -2.665  -1.536  -3.006
   92   1HB   LEU  12          1HB       LEU  12  -4.573  -1.190  -0.702
   93   2HB   LEU  12          2HB       LEU  12  -2.972  -0.494  -0.843
   94    HG   LEU  12           HG       LEU  12  -5.141   0.175  -2.813
   95   1HD1  LEU  12          1HD1      LEU  12  -4.588   1.431  -0.137
   96   2HD1  LEU  12          2HD1      LEU  12  -5.463   2.248  -1.429
   97   3HD1  LEU  12          3HD1      LEU  12  -6.109   0.765  -0.728
   98   1HD2  LEU  12          1HD2      LEU  12  -2.826   0.713  -3.415
   99   2HD2  LEU  12          2HD2      LEU  12  -3.788   2.169  -3.158
  100   3HD2  LEU  12          3HD2      LEU  12  -2.655   1.631  -1.919
  101    H    GLU  13           H        GLU  13  -4.839  -3.700  -1.248
  102    HA   GLU  13           HA       GLU  13  -3.188  -4.787   0.637
  103   1HB   GLU  13          1HB       GLU  13  -5.470  -5.808  -0.947
  104   2HB   GLU  13          2HB       GLU  13  -4.481  -7.024  -0.152
  105   1HG   GLU  13          1HG       GLU  13  -4.824  -5.871   1.992
  106   2HG   GLU  13          2HG       GLU  13  -5.866  -4.706   1.177
  107    H    ALA  14           H        ALA  14  -3.021  -5.211  -2.809
  108    HA   ALA  14           HA       ALA  14  -1.263  -7.486  -2.706
  109   1HB   ALA  14          1HB       ALA  14  -2.867  -6.965  -4.583
  110   2HB   ALA  14          2HB       ALA  14  -1.745  -5.696  -5.074
  111   3HB   ALA  14          3HB       ALA  14  -1.223  -7.381  -5.068
  112    H    GLU  15           H        GLU  15  -0.866  -4.026  -3.533
  113    HA   GLU  15           HA       GLU  15   1.949  -4.272  -3.806
  114   1HB   GLU  15          1HB       GLU  15   1.649  -1.697  -3.806
  115   2HB   GLU  15          2HB       GLU  15   1.099  -2.636  -5.168
  116   1HG   GLU  15          1HG       GLU  15  -1.151  -2.414  -4.517
  117   2HG   GLU  15          2HG       GLU  15  -0.706  -1.804  -2.925
  118    H    ASN  16           H        ASN  16  -0.235  -2.831  -1.387
  119    HA   ASN  16           HA       ASN  16   1.680  -1.737   0.299
  120   1HB   ASN  16          1HB       ASN  16  -0.718  -1.312   0.552
  121   2HB   ASN  16          2HB       ASN  16  -0.978  -2.983   1.045
  122   1HD2  ASN  16          2HD2      ASN  16  -1.909  -2.097   2.965
  123   2HD2  ASN  16          1HD2      ASN  16  -0.895  -1.565   4.257
  124    H    TYR  17           H        TYR  17   0.631  -5.049  -0.070
  125    HA   TYR  17           HA       TYR  17   2.121  -5.923   2.268
  126   1HB   TYR  17          1HB       TYR  17   0.022  -7.033   1.909
  127   2HB   TYR  17          2HB       TYR  17   0.439  -7.403   0.240
  128    HD1  TYR  17           HD1      TYR  17   0.941  -8.335   3.745
  129    HD2  TYR  17           HD2      TYR  17   1.960  -9.225  -0.289
  130    HE1  TYR  17           HE1      TYR  17   1.847 -10.506   4.458
  131    HE2  TYR  17           HE2      TYR  17   2.869 -11.398   0.414
  132    HH   TYR  17           HH       TYR  17   2.621 -12.984   2.273
  133    H    GLN  18           H        GLN  18   2.323  -6.040  -1.241
  134    HA   GLN  18           HA       GLN  18   4.484  -7.837  -1.436
  135   1HB   GLN  18          1HB       GLN  18   3.065  -7.259  -3.348
  136   2HB   GLN  18          2HB       GLN  18   3.669  -5.609  -3.310
  137   1HG   GLN  18          1HG       GLN  18   5.972  -6.590  -3.688
  138   2HG   GLN  18          2HG       GLN  18   5.154  -8.112  -4.040
  139   1HE2  GLN  18          2HE2      GLN  18   5.111  -4.686  -4.944
  140   2HE2  GLN  18          1HE2      GLN  18   4.765  -4.952  -6.615
  141    H    LEU  19           H        LEU  19   4.345  -4.318  -1.127
  142    HA   LEU  19           HA       LEU  19   7.155  -3.931  -1.411
  143   1HB   LEU  19          1HB       LEU  19   4.945  -2.193  -0.340
  144   2HB   LEU  19          2HB       LEU  19   6.614  -1.664  -0.398
  145    HG   LEU  19           HG       LEU  19   4.859  -2.366  -2.750
  146   1HD1  LEU  19          1HD1      LEU  19   5.809   0.155  -1.499
  147   2HD1  LEU  19          2HD1      LEU  19   5.680   0.093  -3.257
  148   3HD1  LEU  19          3HD1      LEU  19   4.261  -0.222  -2.258
  149   1HD2  LEU  19          1HD2      LEU  19   7.803  -1.803  -2.572
  150   2HD2  LEU  19          2HD2      LEU  19   6.983  -3.144  -3.371
  151   3HD2  LEU  19          3HD2      LEU  19   6.883  -1.519  -4.049
  152    H    GLU  20           H        GLU  20   4.955  -4.086   1.375
  153    HA   GLU  20           HA       GLU  20   6.650  -3.471   3.433
  154   1HB   GLU  20          1HB       GLU  20   4.124  -4.388   3.306
  155   2HB   GLU  20          2HB       GLU  20   4.929  -5.842   3.881
  156   1HG   GLU  20          1HG       GLU  20   5.308  -4.987   5.919
  157   2HG   GLU  20          2HG       GLU  20   5.667  -3.378   5.292
  158    H    GLN  21           H        GLN  21   6.638  -6.352   1.479
  159    HA   GLN  21           HA       GLN  21   8.590  -7.656   3.220
  160   1HB   GLN  21          1HB       GLN  21   6.529  -8.758   1.967
  161   2HB   GLN  21          2HB       GLN  21   7.684  -8.860   0.646
  162   1HG   GLN  21          1HG       GLN  21   8.423 -10.744   1.531
  163   2HG   GLN  21          2HG       GLN  21   9.060  -9.799   2.875
  164   1HE2  GLN  21          2HE2      GLN  21   8.159 -12.483   3.008
  165   2HE2  GLN  21          1HE2      GLN  21   6.804 -12.531   4.078
  166    H    GLU  22           H        GLU  22   8.320  -6.022   0.155
  167    HA   GLU  22           HA       GLU  22  10.914  -6.846  -0.788
  168   1HB   GLU  22          1HB       GLU  22   8.948  -6.233  -2.263
  169   2HB   GLU  22          2HB       GLU  22   9.238  -4.558  -1.817
  170   1HG   GLU  22          1HG       GLU  22  11.339  -4.532  -2.883
  171   2HG   GLU  22          2HG       GLU  22  11.356  -6.287  -3.053
  172    H    VAL  23           H        VAL  23   9.615  -4.266   1.119
  173    HA   VAL  23           HA       VAL  23  11.839  -2.484   0.784
  174    HB   VAL  23           HB       VAL  23   9.801  -2.453   3.010
  175   1HG1  VAL  23          1HG1      VAL  23  12.014  -1.012   2.914
  176   2HG1  VAL  23          2HG1      VAL  23  11.032  -0.013   1.842
  177   3HG1  VAL  23          3HG1      VAL  23  10.493  -0.332   3.491
  178   1HG2  VAL  23          1HG2      VAL  23   9.232  -2.271   0.301
  179   2HG2  VAL  23          2HG2      VAL  23   8.210  -1.722   1.628
  180   3HG2  VAL  23          3HG2      VAL  23   9.311  -0.594   0.837
  181    H    ALA  24           H        ALA  24  10.964  -5.060   2.967
  182    HA   ALA  24           HA       ALA  24  12.840  -4.469   5.013
  183   1HB   ALA  24          1HB       ALA  24  11.083  -6.741   4.312
  184   2HB   ALA  24          2HB       ALA  24  12.479  -7.105   5.326
  185   3HB   ALA  24          3HB       ALA  24  11.300  -5.903   5.849
  186    H    GLN  25           H        GLN  25  13.021  -6.201   1.985
  187    HA   GLN  25           HA       GLN  25  15.663  -7.258   2.599
  188   1HB   GLN  25          1HB       GLN  25  14.162  -7.454  -0.012
  189   2HB   GLN  25          2HB       GLN  25  15.508  -8.449   0.526
  190   1HG   GLN  25          1HG       GLN  25  14.206  -9.735   1.871
  191   2HG   GLN  25          2HG       GLN  25  13.058  -8.436   2.193
  192   1HE2  GLN  25          2HE2      GLN  25  12.542 -11.184   1.420
  193   2HE2  GLN  25          1HE2      GLN  25  11.643 -11.117  -0.053
  194    H    LEU  26           H        LEU  26  14.165  -4.699   0.757
  195    HA   LEU  26           HA       LEU  26  16.379  -4.049  -0.878
  196   1HB   LEU  26          1HB       LEU  26  13.945  -2.543   0.024
  197   2HB   LEU  26          2HB       LEU  26  15.196  -1.745  -0.910
  198    HG   LEU  26           HG       LEU  26  13.877  -4.261  -1.892
  199   1HD1  LEU  26          1HD1      LEU  26  12.848  -1.471  -1.900
  200   2HD1  LEU  26          2HD1      LEU  26  12.596  -2.468  -3.333
  201   3HD1  LEU  26          3HD1      LEU  26  11.977  -2.998  -1.768
  202   1HD2  LEU  26          1HD2      LEU  26  15.718  -2.209  -2.965
  203   2HD2  LEU  26          2HD2      LEU  26  15.629  -3.940  -3.293
  204   3HD2  LEU  26          3HD2      LEU  26  14.490  -2.836  -4.065
  205    H    GLU  27           H        GLU  27  15.266  -2.768   2.243
  206    HA   GLU  27           HA       GLU  27  17.654  -1.119   2.466
  207   1HB   GLU  27          1HB       GLU  27  16.623  -0.241   4.498
  208   2HB   GLU  27          2HB       GLU  27  15.495  -0.179   3.151
  209   1HG   GLU  27          1HG       GLU  27  14.036  -1.136   4.522
  210   2HG   GLU  27          2HG       GLU  27  14.957  -2.620   4.284
  211    H    HIS  28           H        HIS  28  18.295  -3.807   2.390
  212    HA   HIS  28           HA       HIS  28  18.703  -4.691   5.131
  213   1HB   HIS  28          1HB       HIS  28  18.172  -6.105   2.906
  214   2HB   HIS  28          2HB       HIS  28  19.931  -6.176   2.874
  215    HD1  HIS  28           HD1      HIS  28  17.114  -6.928   5.343
  216    HD2  HIS  28           HD2      HIS  28  20.961  -8.154   4.362
  217    HE1  HIS  28           HE1      HIS  28  17.625  -8.913   6.824
  218    H    GLU  29           H        GLU  29  20.614  -3.685   2.325
  219    HA   GLU  29           HA       GLU  29  23.087  -3.859   3.828
  220   1HB   GLU  29          1HB       GLU  29  22.878  -4.438   1.373
  221   2HB   GLU  29          2HB       GLU  29  22.688  -2.718   1.063
  222   1HG   GLU  29          1HG       GLU  29  24.886  -2.534   0.956
  223   2HG   GLU  29          2HG       GLU  29  24.978  -2.973   2.661
  224    H    GLY  30           H        GLY  30  21.695  -2.197   5.270
  225   1HA   GLY  30          1HA       GLY  30  22.581  -0.122   6.204
  226   2HA   GLY  30          2HA       GLY  30  22.745   0.471   4.558
  227   1HN   NH2  31          1HN       NH2  31  21.547   2.266   5.739
  228   2HN   NH2  31          2HN       NH2  31  19.821   2.214   5.662
  229   1H    ACE   0          1H        ACE   0 -18.170  -5.532   4.832
  230   2H    ACE   0          2H        ACE   0 -18.718  -4.215   5.869
  231   3H    ACE   0          3H        ACE   0 -17.138  -4.125   5.091
  232    H    GLU   1           H        GLU   1 -19.831  -2.559   4.970
  233    HA   GLU   1           HA       GLU   1 -20.450  -2.737   2.144
  234   1HB   GLU   1          1HB       GLU   1 -21.560  -0.705   4.067
  235   2HB   GLU   1          2HB       GLU   1 -22.285  -1.312   2.585
  236   1HG   GLU   1          1HG       GLU   1 -21.886  -3.535   4.267
  237   2HG   GLU   1          2HG       GLU   1 -22.587  -2.256   5.258
  238    H    VAL   2           H        VAL   2 -21.089  -0.023   1.678
  239    HA   VAL   2           HA       VAL   2 -18.982   0.989   0.380
  240    HB   VAL   2           HB       VAL   2 -19.941   3.352   1.180
  241   1HG1  VAL   2          1HG1      VAL   2 -20.830   1.355  -0.808
  242   2HG1  VAL   2          2HG1      VAL   2 -21.905   2.723  -0.521
  243   3HG1  VAL   2          3HG1      VAL   2 -20.240   3.001  -1.034
  244   1HG2  VAL   2          1HG2      VAL   2 -21.380   1.829   2.848
  245   2HG2  VAL   2          2HG2      VAL   2 -21.977   3.348   2.179
  246   3HG2  VAL   2          3HG2      VAL   2 -22.455   1.815   1.450
  247    H    GLN   3           H        GLN   3 -19.681   2.860   3.261
  248    HA   GLN   3           HA       GLN   3 -17.085   3.762   3.628
  249   1HB   GLN   3          1HB       GLN   3 -19.322   4.590   4.649
  250   2HB   GLN   3          2HB       GLN   3 -18.978   3.441   5.934
  251   1HG   GLN   3          1HG       GLN   3 -17.601   4.871   6.901
  252   2HG   GLN   3          2HG       GLN   3 -16.645   5.003   5.426
  253   1HE2  GLN   3          2HE2      GLN   3 -17.613   6.958   7.523
  254   2HE2  GLN   3          1HE2      GLN   3 -18.315   8.243   6.608
  255    H    ALA   4           H        ALA   4 -18.736   0.980   5.043
  256    HA   ALA   4           HA       ALA   4 -16.929   0.235   6.988
  257   1HB   ALA   4          1HB       ALA   4 -19.196  -0.859   5.934
  258   2HB   ALA   4          2HB       ALA   4 -17.967  -2.038   5.476
  259   3HB   ALA   4          3HB       ALA   4 -18.183  -1.604   7.171
  260    H    LEU   5           H        LEU   5 -16.626  -0.072   3.524
  261    HA   LEU   5           HA       LEU   5 -14.055  -1.476   3.895
  262   1HB   LEU   5          1HB       LEU   5 -16.144  -1.574   1.784
  263   2HB   LEU   5          2HB       LEU   5 -14.479  -1.736   1.267
  264    HG   LEU   5           HG       LEU   5 -15.617  -3.478   3.436
  265   1HD1  LEU   5          1HD1      LEU   5 -16.890  -3.489   1.156
  266   2HD1  LEU   5          2HD1      LEU   5 -15.483  -4.396   0.602
  267   3HD1  LEU   5          3HD1      LEU   5 -16.455  -5.008   1.939
  268   1HD2  LEU   5          1HD2      LEU   5 -13.158  -3.379   1.791
  269   2HD2  LEU   5          2HD2      LEU   5 -13.384  -3.875   3.468
  270   3HD2  LEU   5          3HD2      LEU   5 -13.819  -4.972   2.157
  271    H    LYS   6           H        LYS   6 -15.734   1.021   2.128
  272    HA   LYS   6           HA       LYS   6 -13.758   2.148   0.604
  273   1HB   LYS   6          1HB       LYS   6 -15.999   2.887   0.366
  274   2HB   LYS   6          2HB       LYS   6 -16.113   3.308   2.064
  275   1HG   LYS   6          1HG       LYS   6 -14.987   5.297   1.787
  276   2HG   LYS   6          2HG       LYS   6 -14.150   4.743   0.336
  277   1HD   LYS   6          1HD       LYS   6 -15.716   6.254  -0.494
  278   2HD   LYS   6          2HD       LYS   6 -16.499   4.690  -0.728
  279   1HE   LYS   6          1HE       LYS   6 -18.229   5.806   0.239
  280   2HE   LYS   6          2HE       LYS   6 -17.430   5.224   1.699
  281   1HZ   LYS   6          1HZ       LYS   6 -16.155   7.532   1.304
  282   2HZ   LYS   6          2HZ       LYS   6 -17.677   7.924   0.679
  283   3HZ   LYS   6          3HZ       LYS   6 -17.535   7.378   2.273
  284    H    LYS   7           H        LYS   7 -14.227   2.367   4.063
  285    HA   LYS   7           HA       LYS   7 -12.259   4.492   4.323
  286   1HB   LYS   7          1HB       LYS   7 -12.850   4.591   6.622
  287   2HB   LYS   7          2HB       LYS   7 -14.348   4.395   5.725
  288   1HG   LYS   7          1HG       LYS   7 -13.966   1.856   6.219
  289   2HG   LYS   7          2HG       LYS   7 -12.945   2.476   7.517
  290   1HD   LYS   7          1HD       LYS   7 -15.835   3.228   7.070
  291   2HD   LYS   7          2HD       LYS   7 -15.263   2.049   8.253
  292   1HE   LYS   7          1HE       LYS   7 -13.717   4.186   8.870
  293   2HE   LYS   7          2HE       LYS   7 -15.182   4.990   8.311
  294   1HZ   LYS   7          1HZ       LYS   7 -16.205   3.113   9.903
  295   2HZ   LYS   7          2HZ       LYS   7 -14.738   3.402  10.694
  296   3HZ   LYS   7          3HZ       LYS   7 -15.819   4.675  10.425
  297    H    ARG   8           H        ARG   8 -12.386   1.051   4.476
  298    HA   ARG   8           HA       ARG   8 -10.084   0.717   6.141
  299   1HB   ARG   8          1HB       ARG   8 -10.318  -1.583   5.792
  300   2HB   ARG   8          2HB       ARG   8 -11.964  -0.978   5.714
  301   1HG   ARG   8          1HG       ARG   8 -12.204  -1.960   3.747
  302   2HG   ARG   8          2HG       ARG   8 -10.957  -0.908   3.082
  303   1HD   ARG   8          1HD       ARG   8  -9.695  -2.709   2.767
  304   2HD   ARG   8          2HD       ARG   8  -9.586  -2.881   4.516
  305    HE   ARG   8           HE       ARG   8 -11.232  -4.426   2.705
  306   1HH1  ARG   8          1HH1      ARG   8 -10.614  -3.517   6.021
  307   2HH1  ARG   8          2HH1      ARG   8 -11.421  -4.899   6.678
  308   1HH2  ARG   8          1HH2      ARG   8 -12.294  -6.240   3.573
  309   2HH2  ARG   8          2HH2      ARG   8 -12.374  -6.445   5.290
  310    H    VAL   9           H        VAL   9 -10.605   1.306   2.779
  311    HA   VAL   9           HA       VAL   9  -8.291   0.242   1.650
  312    HB   VAL   9           HB       VAL   9  -9.701   2.793   0.848
  313   1HG1  VAL   9          1HG1      VAL   9  -7.345   2.218  -0.084
  314   2HG1  VAL   9          2HG1      VAL   9  -8.202   0.991  -1.013
  315   3HG1  VAL   9          3HG1      VAL   9  -8.623   2.693  -1.200
  316   1HG2  VAL   9          1HG2      VAL   9 -10.876   0.384   1.011
  317   2HG2  VAL   9          2HG2      VAL   9 -11.286   1.584  -0.215
  318   3HG2  VAL   9          3HG2      VAL   9 -10.178   0.269  -0.605
  319    H    GLN  10           H        GLN  10  -8.835   3.490   3.003
  320    HA   GLN  10           HA       GLN  10  -6.382   4.629   2.495
  321   1HB   GLN  10          1HB       GLN  10  -6.825   6.161   4.279
  322   2HB   GLN  10          2HB       GLN  10  -8.360   5.767   3.519
  323   1HG   GLN  10          1HG       GLN  10  -8.323   3.915   5.460
  324   2HG   GLN  10          2HG       GLN  10  -7.381   5.187   6.234
  325   1HE2  GLN  10          2HE2      GLN  10  -9.591   4.653   7.487
  326   2HE2  GLN  10          1HE2      GLN  10 -10.829   5.820   7.190
  327    H    ALA  11           H        ALA  11  -7.174   2.165   4.814
  328    HA   ALA  11           HA       ALA  11  -4.860   2.457   6.448
  329   1HB   ALA  11          1HB       ALA  11  -6.976   1.325   7.136
  330   2HB   ALA  11          2HB       ALA  11  -6.528  -0.025   6.093
  331   3HB   ALA  11          3HB       ALA  11  -5.511   0.402   7.469
  332    H    LEU  12           H        LEU  12  -5.297   1.208   3.311
  333    HA   LEU  12           HA       LEU  12  -2.949  -0.530   3.519
  334   1HB   LEU  12          1HB       LEU  12  -4.413  -0.203   0.954
  335   2HB   LEU  12          2HB       LEU  12  -3.654  -1.627   1.629
  336    HG   LEU  12           HG       LEU  12  -6.154  -0.531   2.868
  337   1HD1  LEU  12          1HD1      LEU  12  -6.311  -0.918   0.306
  338   2HD1  LEU  12          2HD1      LEU  12  -6.270  -2.626   0.744
  339   3HD1  LEU  12          3HD1      LEU  12  -7.550  -1.585   1.368
  340   1HD2  LEU  12          1HD2      LEU  12  -4.452  -2.652   3.454
  341   2HD2  LEU  12          2HD2      LEU  12  -6.070  -2.381   4.101
  342   3HD2  LEU  12          3HD2      LEU  12  -5.849  -3.399   2.678
  343    H    LYS  13           H        LYS  13  -4.177   2.207   1.635
  344    HA   LYS  13           HA       LYS  13  -1.677   2.574   0.266
  345   1HB   LYS  13          1HB       LYS  13  -2.801   4.670  -0.597
  346   2HB   LYS  13          2HB       LYS  13  -3.595   3.152  -0.986
  347   1HG   LYS  13          1HG       LYS  13  -5.306   4.640  -0.390
  348   2HG   LYS  13          2HG       LYS  13  -5.101   3.579   1.002
  349   1HD   LYS  13          1HD       LYS  13  -4.395   5.256   2.329
  350   2HD   LYS  13          2HD       LYS  13  -3.439   5.995   1.044
  351   1HE   LYS  13          1HE       LYS  13  -6.274   6.206   0.509
  352   2HE   LYS  13          2HE       LYS  13  -5.861   6.908   2.073
  353   1HZ   LYS  13          1HZ       LYS  13  -4.101   7.599  -0.132
  354   2HZ   LYS  13          2HZ       LYS  13  -5.670   8.228  -0.223
  355   3HZ   LYS  13          3HZ       LYS  13  -4.699   8.565   1.121
  356    H    ALA  14           H        ALA  14  -2.958   3.594   3.261
  357    HA   ALA  14           HA       ALA  14  -1.721   6.099   3.555
  358   1HB   ALA  14          1HB       ALA  14  -2.742   4.042   5.455
  359   2HB   ALA  14          2HB       ALA  14  -1.780   5.384   6.073
  360   3HB   ALA  14          3HB       ALA  14  -3.276   5.703   5.197
  361    H    ARG  15           H        ARG  15  -0.640   2.942   4.824
  362    HA   ARG  15           HA       ARG  15   1.993   3.979   5.369
  363   1HB   ARG  15          1HB       ARG  15   0.841   2.273   6.802
  364   2HB   ARG  15          2HB       ARG  15   1.045   1.114   5.495
  365   1HG   ARG  15          1HG       ARG  15   2.808   0.669   6.949
  366   2HG   ARG  15          2HG       ARG  15   3.539   1.630   5.661
  367   1HD   ARG  15          1HD       ARG  15   4.127   3.235   7.088
  368   2HD   ARG  15          2HD       ARG  15   2.502   3.314   7.767
  369    HE   ARG  15           HE       ARG  15   3.200   2.003   9.511
  370   1HH1  ARG  15          1HH1      ARG  15   5.578   1.859   6.962
  371   2HH1  ARG  15          2HH1      ARG  15   6.738   1.004   7.921
  372   1HH2  ARG  15          1HH2      ARG  15   4.726   0.879  10.777
  373   2HH2  ARG  15          2HH2      ARG  15   6.254   0.446  10.087
  374    H    ASN  16           H        ASN  16   0.441   2.124   2.858
  375    HA   ASN  16           HA       ASN  16   2.758   1.029   1.672
  376   1HB   ASN  16          1HB       ASN  16   0.596   0.125   1.130
  377   2HB   ASN  16          2HB       ASN  16   0.040   1.676   0.522
  378   1HD2  ASN  16          2HD2      ASN  16  -0.331   1.295  -1.560
  379   2HD2  ASN  16          1HD2      ASN  16   0.822   0.658  -2.678
  380    H    TYR  17           H        TYR  17   0.925   3.998   0.985
  381    HA   TYR  17           HA       TYR  17   2.365   4.890  -1.209
  382   1HB   TYR  17          1HB       TYR  17   0.306   5.973  -0.494
  383   2HB   TYR  17          2HB       TYR  17   1.077   6.518   0.992
  384    HD1  TYR  17           HD1      TYR  17   0.807   7.044  -2.626
  385    HD2  TYR  17           HD2      TYR  17   2.622   8.385   0.979
  386    HE1  TYR  17           HE1      TYR  17   1.507   9.112  -3.755
  387    HE2  TYR  17           HE2      TYR  17   3.328  10.458  -0.139
  388    HH   TYR  17           HH       TYR  17   2.121  11.693  -2.656
  389    H    ALA  18           H        ALA  18   3.158   5.023   2.195
  390    HA   ALA  18           HA       ALA  18   5.284   6.886   2.001
  391   1HB   ALA  18          1HB       ALA  18   4.277   5.002   4.043
  392   2HB   ALA  18          2HB       ALA  18   5.967   5.488   4.185
  393   3HB   ALA  18          3HB       ALA  18   4.695   6.710   4.180
  394    H    LEU  19           H        LEU  19   5.195   3.333   1.968
  395    HA   LEU  19           HA       LEU  19   7.998   2.995   1.774
  396   1HB   LEU  19          1HB       LEU  19   6.210   0.990   0.503
  397   2HB   LEU  19          2HB       LEU  19   7.603   0.751   1.534
  398    HG   LEU  19           HG       LEU  19   4.822   1.507   2.416
  399   1HD1  LEU  19          1HD1      LEU  19   6.392  -0.989   2.322
  400   2HD1  LEU  19          2HD1      LEU  19   5.457  -0.700   3.790
  401   3HD1  LEU  19          3HD1      LEU  19   4.649  -0.734   2.222
  402   1HD2  LEU  19          1HD2      LEU  19   7.179   2.290   3.632
  403   2HD2  LEU  19          2HD2      LEU  19   5.593   2.180   4.396
  404   3HD2  LEU  19          3HD2      LEU  19   6.720   0.828   4.505
  405    H    LYS  20           H        LYS  20   5.429   2.937  -0.684
  406    HA   LYS  20           HA       LYS  20   6.835   2.443  -2.963
  407   1HB   LYS  20          1HB       LYS  20   4.307   3.254  -2.432
  408   2HB   LYS  20          2HB       LYS  20   4.951   4.710  -3.178
  409   1HG   LYS  20          1HG       LYS  20   4.743   3.826  -5.194
  410   2HG   LYS  20          2HG       LYS  20   5.708   2.425  -4.727
  411   1HD   LYS  20          1HD       LYS  20   3.547   1.671  -5.470
  412   2HD   LYS  20          2HD       LYS  20   3.670   1.419  -3.728
  413   1HE   LYS  20          1HE       LYS  20   1.678   2.443  -3.646
  414   2HE   LYS  20          2HE       LYS  20   2.613   3.925  -3.845
  415   1HZ   LYS  20          1HZ       LYS  20   1.923   2.561  -6.306
  416   2HZ   LYS  20          2HZ       LYS  20   0.608   3.193  -5.449
  417   3HZ   LYS  20          3HZ       LYS  20   1.873   4.209  -5.930
  418    H    GLN  21           H        GLN  21   6.908   5.346  -1.040
  419    HA   GLN  21           HA       GLN  21   8.244   6.934  -3.021
  420   1HB   GLN  21          1HB       GLN  21   6.832   8.048  -1.433
  421   2HB   GLN  21          2HB       GLN  21   7.720   7.361  -0.080
  422   1HG   GLN  21          1HG       GLN  21   8.386   9.621  -0.281
  423   2HG   GLN  21          2HG       GLN  21   9.726   8.638  -0.867
  424   1HE2  GLN  21          2HE2      GLN  21   9.717   8.263  -3.267
  425   2HE2  GLN  21          1HE2      GLN  21   9.304   9.610  -4.269
  426    H    LYS  22           H        LYS  22   9.235   5.172  -0.102
  427    HA   LYS  22           HA       LYS  22  12.006   5.946  -0.514
  428   1HB   LYS  22          1HB       LYS  22  12.412   4.646   1.572
  429   2HB   LYS  22          2HB       LYS  22  11.252   5.953   1.761
  430   1HG   LYS  22          1HG       LYS  22   9.794   4.518   2.595
  431   2HG   LYS  22          2HG       LYS  22   9.786   3.648   1.062
  432   1HD   LYS  22          1HD       LYS  22  10.341   2.074   2.761
  433   2HD   LYS  22          2HD       LYS  22  11.820   2.411   1.860
  434   1HE   LYS  22          1HE       LYS  22  12.744   2.752   3.869
  435   2HE   LYS  22          2HE       LYS  22  11.906   4.303   3.829
  436   1HZ   LYS  22          1HZ       LYS  22  10.481   1.947   4.845
  437   2HZ   LYS  22          2HZ       LYS  22  11.624   2.695   5.841
  438   3HZ   LYS  22          3HZ       LYS  22  10.298   3.575   5.263
  439    H    VAL  23           H        VAL  23   9.929   3.251  -1.142
  440    HA   VAL  23           HA       VAL  23  11.505   1.051  -1.183
  441    HB   VAL  23           HB       VAL  23   9.501   1.903  -3.272
  442   1HG1  VAL  23          1HG1      VAL  23  11.224  -0.492  -3.138
  443   2HG1  VAL  23          2HG1      VAL  23   9.520  -0.773  -3.500
  444   3HG1  VAL  23          3HG1      VAL  23  10.476   0.294  -4.529
  445   1HG2  VAL  23          1HG2      VAL  23   9.181   1.113  -0.636
  446   2HG2  VAL  23          2HG2      VAL  23   7.933   1.143  -1.882
  447   3HG2  VAL  23          3HG2      VAL  23   8.828  -0.343  -1.567
  448    H    GLN  24           H        GLN  24  11.190   3.196  -4.030
  449    HA   GLN  24           HA       GLN  24  13.322   2.000  -5.423
  450   1HB   GLN  24          1HB       GLN  24  13.233   4.036  -6.866
  451   2HB   GLN  24          2HB       GLN  24  11.692   3.216  -6.663
  452   1HG   GLN  24          1HG       GLN  24  10.975   4.871  -5.061
  453   2HG   GLN  24          2HG       GLN  24  12.550   5.660  -5.131
  454   1HE2  GLN  24          2HE2      GLN  24  13.139   5.904  -7.678
  455   2HE2  GLN  24          1HE2      GLN  24  11.945   6.810  -8.538
  456    H    ALA  25           H        ALA  25  13.320   4.156  -2.799
  457    HA   ALA  25           HA       ALA  25  15.870   5.372  -3.399
  458   1HB   ALA  25          1HB       ALA  25  13.731   5.988  -1.706
  459   2HB   ALA  25          2HB       ALA  25  15.086   5.619  -0.638
  460   3HB   ALA  25          3HB       ALA  25  15.251   6.868  -1.873
  461    H    LEU  26           H        LEU  26  14.665   2.585  -1.741
  462    HA   LEU  26           HA       LEU  26  17.030   2.121  -0.173
  463   1HB   LEU  26          1HB       LEU  26  14.808   0.197  -0.855
  464   2HB   LEU  26          2HB       LEU  26  15.980   0.027   0.439
  465    HG   LEU  26           HG       LEU  26  13.881   2.183   0.277
  466   1HD1  LEU  26          1HD1      LEU  26  13.979  -0.462   1.669
  467   2HD1  LEU  26          2HD1      LEU  26  13.048   0.877   2.342
  468   3HD1  LEU  26          3HD1      LEU  26  12.670   0.261   0.733
  469   1HD2  LEU  26          1HD2      LEU  26  16.172   1.674   2.071
  470   2HD2  LEU  26          2HD2      LEU  26  15.398   3.192   1.621
  471   3HD2  LEU  26          3HD2      LEU  26  14.658   2.152   2.837
  472    H    ARG  27           H        ARG  27  15.574   0.535  -3.016
  473    HA   ARG  27           HA       ARG  27  17.454  -1.406  -3.478
  474   1HB   ARG  27          1HB       ARG  27  16.365  -1.752  -5.434
  475   2HB   ARG  27          2HB       ARG  27  15.225  -0.612  -4.754
  476   1HG   ARG  27          1HG       ARG  27  17.367   0.677  -6.261
  477   2HG   ARG  27          2HG       ARG  27  16.401  -0.444  -7.220
  478   1HD   ARG  27          1HD       ARG  27  14.435   0.727  -6.835
  479   2HD   ARG  27          2HD       ARG  27  15.092   1.546  -5.419
  480    HE   ARG  27           HE       ARG  27  16.036   3.133  -6.799
  481   1HH1  ARG  27          1HH1      ARG  27  14.841   0.475  -8.723
  482   2HH1  ARG  27          2HH1      ARG  27  15.033   1.313 -10.225
  483   1HH2  ARG  27          1HH2      ARG  27  16.289   4.234  -8.775
  484   2HH2  ARG  27          2HH2      ARG  27  15.856   3.447 -10.255
  485    H    HIS  28           H        HIS  28  17.743   2.013  -4.039
  486    HA   HIS  28           HA       HIS  28  20.116   1.777  -5.662
  487   1HB   HIS  28          1HB       HIS  28  18.452   3.662  -5.850
  488   2HB   HIS  28          2HB       HIS  28  19.043   4.252  -4.301
  489    HD1  HIS  28           HD1      HIS  28  20.088   3.877  -7.901
  490    HD2  HIS  28           HD2      HIS  28  21.467   5.558  -4.360
  491    HE1  HIS  28           HE1      HIS  28  22.054   5.340  -8.528
  492    H    LYS  29           H        LYS  29  19.524   3.343  -2.507
  493    HA   LYS  29           HA       LYS  29  22.267   3.443  -1.819
  494   1HB   LYS  29          1HB       LYS  29  19.706   4.101  -0.550
  495   2HB   LYS  29          2HB       LYS  29  20.944   3.585   0.584
  496   1HG   LYS  29          1HG       LYS  29  22.343   5.332  -0.942
  497   2HG   LYS  29          2HG       LYS  29  20.731   6.049  -0.991
  498   1HD   LYS  29          1HD       LYS  29  21.136   5.298   1.675
  499   2HD   LYS  29          2HD       LYS  29  22.661   6.014   1.152
  500   1HE   LYS  29          1HE       LYS  29  21.679   7.966   1.654
  501   2HE   LYS  29          2HE       LYS  29  20.851   7.761   0.111
  502   1HZ   LYS  29          1HZ       LYS  29  19.108   6.519   1.451
  503   2HZ   LYS  29          2HZ       LYS  29  19.835   7.185   2.827
  504   3HZ   LYS  29          3HZ       LYS  29  19.170   8.199   1.647
  505    H    GLY  30           H        GLY  30  23.566   1.908  -1.062
  506   1HA   GLY  30          1HA       GLY  30  23.695   0.188   0.796
  507   2HA   GLY  30          2HA       GLY  30  22.324  -0.557  -0.013
  508   1HN   NH2  31          1HN       NH2  31  22.893  -2.284  -1.115
  509   2HN   NH2  31          2HN       NH2  31  24.365  -2.502  -1.992
  Start of MODEL   14
    1   1H    ACE   0          1H        ACE   0 -23.622   3.181  -2.257
    2   2H    ACE   0          2H        ACE   0 -24.283   3.853  -3.747
    3   3H    ACE   0          3H        ACE   0 -22.898   4.622  -2.971
    4    H    GLU   1           H        GLU   1 -21.040   4.233  -3.984
    5    HA   GLU   1           HA       GLU   1 -20.774   2.071  -5.860
    6   1HB   GLU   1          1HB       GLU   1 -18.524   3.833  -4.927
    7   2HB   GLU   1          2HB       GLU   1 -18.724   3.047  -6.486
    8   1HG   GLU   1          1HG       GLU   1 -19.421   5.029  -7.209
    9   2HG   GLU   1          2HG       GLU   1 -20.925   4.666  -6.364
   10    H    VAL   2           H        VAL   2 -20.713   0.109  -4.890
   11    HA   VAL   2           HA       VAL   2 -18.989  -0.333  -2.587
   12    HB   VAL   2           HB       VAL   2 -20.679  -2.366  -4.043
   13   1HG1  VAL   2          1HG1      VAL   2 -18.850  -3.169  -2.524
   14   2HG1  VAL   2          2HG1      VAL   2 -19.699  -2.378  -1.196
   15   3HG1  VAL   2          3HG1      VAL   2 -20.474  -3.693  -2.078
   16   1HG2  VAL   2          1HG2      VAL   2 -21.924  -0.330  -3.149
   17   2HG2  VAL   2          2HG2      VAL   2 -22.474  -1.912  -2.595
   18   3HG2  VAL   2          3HG2      VAL   2 -21.480  -0.907  -1.542
   19    H    ALA   3           H        ALA   3 -19.383  -1.684  -5.863
   20    HA   ALA   3           HA       ALA   3 -17.164  -3.371  -5.834
   21   1HB   ALA   3          1HB       ALA   3 -19.127  -2.888  -7.608
   22   2HB   ALA   3          2HB       ALA   3 -17.784  -2.071  -8.407
   23   3HB   ALA   3          3HB       ALA   3 -17.659  -3.782  -7.998
   24    H    GLN   4           H        GLN   4 -17.412   0.064  -6.537
   25    HA   GLN   4           HA       GLN   4 -14.825   0.406  -7.613
   26   1HB   GLN   4          1HB       GLN   4 -16.932   2.187  -6.510
   27   2HB   GLN   4          2HB       GLN   4 -15.302   2.838  -6.599
   28   1HG   GLN   4          1HG       GLN   4 -15.515   3.218  -8.764
   29   2HG   GLN   4          2HG       GLN   4 -15.947   1.535  -9.062
   30   1HE2  GLN   4          2HE2      GLN   4 -16.947   4.540  -9.595
   31   2HE2  GLN   4          1HE2      GLN   4 -18.660   4.316  -9.613
   32    H    LEU   5           H        LEU   5 -16.052   0.328  -4.334
   33    HA   LEU   5           HA       LEU   5 -13.515   1.196  -3.218
   34   1HB   LEU   5          1HB       LEU   5 -16.081   0.285  -1.915
   35   2HB   LEU   5          2HB       LEU   5 -14.662   0.819  -1.033
   36    HG   LEU   5           HG       LEU   5 -16.069   2.582  -3.026
   37   1HD1  LEU   5          1HD1      LEU   5 -16.589   2.267  -0.078
   38   2HD1  LEU   5          2HD1      LEU   5 -17.119   3.652  -1.032
   39   3HD1  LEU   5          3HD1      LEU   5 -17.731   2.040  -1.402
   40   1HD2  LEU   5          1HD2      LEU   5 -13.765   3.174  -2.414
   41   2HD2  LEU   5          2HD2      LEU   5 -14.931   4.363  -1.835
   42   3HD2  LEU   5          3HD2      LEU   5 -14.232   3.194  -0.714
   43    H    GLU   6           H        GLU   6 -15.295  -1.754  -3.767
   44    HA   GLU   6           HA       GLU   6 -13.965  -3.476  -2.019
   45   1HB   GLU   6          1HB       GLU   6 -15.494  -3.793  -4.545
   46   2HB   GLU   6          2HB       GLU   6 -14.490  -5.147  -4.047
   47   1HG   GLU   6          1HG       GLU   6 -16.263  -3.945  -2.003
   48   2HG   GLU   6          2HG       GLU   6 -17.020  -4.880  -3.292
   49    H    LYS   7           H        LYS   7 -13.295  -2.899  -5.473
   50    HA   LYS   7           HA       LYS   7 -10.916  -4.420  -5.505
   51   1HB   LYS   7          1HB       LYS   7 -12.071  -2.347  -7.350
   52   2HB   LYS   7          2HB       LYS   7 -10.489  -3.053  -7.650
   53   1HG   LYS   7          1HG       LYS   7 -11.836  -4.407  -8.915
   54   2HG   LYS   7          2HG       LYS   7 -11.761  -5.315  -7.402
   55   1HD   LYS   7          1HD       LYS   7 -13.898  -4.311  -6.716
   56   2HD   LYS   7          2HD       LYS   7 -13.975  -3.447  -8.252
   57   1HE   LYS   7          1HE       LYS   7 -14.962  -5.209  -9.172
   58   2HE   LYS   7          2HE       LYS   7 -13.519  -6.169  -8.853
   59   1HZ   LYS   7          1HZ       LYS   7 -14.765  -6.108  -6.450
   60   2HZ   LYS   7          2HZ       LYS   7 -16.066  -6.195  -7.525
   61   3HZ   LYS   7          3HZ       LYS   7 -14.855  -7.377  -7.564
   62    H    GLU   8           H        GLU   8 -11.607  -1.160  -4.559
   63    HA   GLU   8           HA       GLU   8  -9.118   0.040  -4.890
   64   1HB   GLU   8          1HB       GLU   8 -11.286   1.129  -4.161
   65   2HB   GLU   8          2HB       GLU   8 -10.940   0.538  -2.541
   66   1HG   GLU   8          1HG       GLU   8  -8.760   1.768  -2.666
   67   2HG   GLU   8          2HG       GLU   8  -9.338   2.495  -4.164
   68    H    VAL   9           H        VAL   9 -10.220  -2.283  -2.550
   69    HA   VAL   9           HA       VAL   9  -7.993  -1.918  -0.757
   70    HB   VAL   9           HB       VAL   9 -10.093  -4.090  -0.916
   71   1HG1  VAL   9          1HG1      VAL   9  -8.043  -4.965   0.091
   72   2HG1  VAL   9          2HG1      VAL   9  -8.018  -3.616   1.226
   73   3HG1  VAL   9          3HG1      VAL   9  -9.323  -4.800   1.293
   74   1HG2  VAL   9          1HG2      VAL   9  -9.759  -1.690   0.875
   75   2HG2  VAL   9          2HG2      VAL   9 -11.049  -1.988  -0.290
   76   3HG2  VAL   9          3HG2      VAL   9 -10.922  -2.984   1.159
   77    H    ALA  10           H        ALA  10  -9.046  -4.551  -2.929
   78    HA   ALA  10           HA       ALA  10  -6.805  -6.170  -2.706
   79   1HB   ALA  10          1HB       ALA  10  -8.939  -5.810  -4.722
   80   2HB   ALA  10          2HB       ALA  10  -7.486  -6.659  -5.250
   81   3HB   ALA  10          3HB       ALA  10  -8.410  -7.263  -3.874
   82    H    GLN  11           H        GLN  11  -7.256  -3.194  -4.434
   83    HA   GLN  11           HA       GLN  11  -5.105  -3.372  -6.241
   84   1HB   GLN  11          1HB       GLN  11  -6.898  -1.690  -6.419
   85   2HB   GLN  11          2HB       GLN  11  -6.314  -0.917  -4.952
   86   1HG   GLN  11          1HG       GLN  11  -5.454   0.393  -6.664
   87   2HG   GLN  11          2HG       GLN  11  -4.101  -0.637  -6.196
   88   1HE2  GLN  11          2HE2      GLN  11  -2.998  -0.751  -8.058
   89   2HE2  GLN  11          1HE2      GLN  11  -3.627  -1.383  -9.538
   90    H    LEU  12           H        LEU  12  -5.323  -1.923  -2.995
   91    HA   LEU  12           HA       LEU  12  -2.485  -1.381  -2.941
   92   1HB   LEU  12          1HB       LEU  12  -4.446  -1.198  -0.660
   93   2HB   LEU  12          2HB       LEU  12  -2.871  -0.437  -0.769
   94    HG   LEU  12           HG       LEU  12  -5.125   0.238  -2.649
   95   1HD1  LEU  12          1HD1      LEU  12  -4.389   1.512  -0.021
   96   2HD1  LEU  12          2HD1      LEU  12  -5.445   2.248  -1.226
   97   3HD1  LEU  12          3HD1      LEU  12  -5.917   0.740  -0.442
   98   1HD2  LEU  12          1HD2      LEU  12  -2.385   1.257  -2.117
   99   2HD2  LEU  12          2HD2      LEU  12  -3.251   1.082  -3.642
  100   3HD2  LEU  12          3HD2      LEU  12  -3.634   2.421  -2.560
  101    H    GLU  13           H        GLU  13  -4.710  -3.756  -1.618
  102    HA   GLU  13           HA       GLU  13  -3.064  -4.931   0.294
  103   1HB   GLU  13          1HB       GLU  13  -5.432  -5.761  -1.262
  104   2HB   GLU  13          2HB       GLU  13  -4.456  -7.074  -0.620
  105   1HG   GLU  13          1HG       GLU  13  -4.658  -6.099   1.626
  106   2HG   GLU  13          2HG       GLU  13  -5.691  -4.832   0.963
  107    H    ALA  14           H        ALA  14  -2.931  -5.086  -3.160
  108    HA   ALA  14           HA       ALA  14  -1.152  -7.389  -3.159
  109   1HB   ALA  14          1HB       ALA  14  -2.646  -5.870  -5.204
  110   2HB   ALA  14          2HB       ALA  14  -1.119  -6.589  -5.715
  111   3HB   ALA  14          3HB       ALA  14  -2.390  -7.607  -5.039
  112    H    GLU  15           H        GLU  15  -1.047  -3.910  -3.716
  113    HA   GLU  15           HA       GLU  15   1.752  -3.935  -4.424
  114   1HB   GLU  15          1HB       GLU  15  -0.020  -2.276  -5.255
  115   2HB   GLU  15          2HB       GLU  15   0.137  -1.504  -3.684
  116   1HG   GLU  15          1HG       GLU  15   1.701  -0.273  -4.693
  117   2HG   GLU  15          2HG       GLU  15   2.733  -1.678  -4.432
  118    H    ASN  16           H        ASN  16  -0.142  -2.575  -1.725
  119    HA   ASN  16           HA       ASN  16   1.948  -1.694  -0.147
  120   1HB   ASN  16          1HB       ASN  16  -0.454  -1.250   0.283
  121   2HB   ASN  16          2HB       ASN  16  -0.645  -2.913   0.826
  122   1HD2  ASN  16          2HD2      ASN  16  -1.357  -2.064   2.831
  123   2HD2  ASN  16          1HD2      ASN  16  -0.223  -1.486   3.998
  124    H    TYR  17           H        TYR  17   0.779  -4.940  -0.646
  125    HA   TYR  17           HA       TYR  17   2.232  -6.052   1.581
  126   1HB   TYR  17          1HB       TYR  17   0.176  -7.131   0.908
  127   2HB   TYR  17          2HB       TYR  17   0.775  -7.344  -0.733
  128    HD1  TYR  17           HD1      TYR  17   2.496  -9.031  -1.219
  129    HD2  TYR  17           HD2      TYR  17   0.839  -8.620   2.678
  130    HE1  TYR  17           HE1      TYR  17   3.390 -11.238  -0.614
  131    HE2  TYR  17           HE2      TYR  17   1.730 -10.827   3.295
  132    HH   TYR  17           HH       TYR  17   3.977 -12.521   1.319
  133    H    GLN  18           H        GLN  18   2.586  -5.964  -1.943
  134    HA   GLN  18           HA       GLN  18   4.863  -7.586  -2.133
  135   1HB   GLN  18          1HB       GLN  18   3.295  -6.606  -3.977
  136   2HB   GLN  18          2HB       GLN  18   4.431  -5.264  -3.977
  137   1HG   GLN  18          1HG       GLN  18   6.103  -6.492  -4.902
  138   2HG   GLN  18          2HG       GLN  18   5.543  -8.001  -4.185
  139   1HE2  GLN  18          2HE2      GLN  18   4.771  -9.401  -5.577
  140   2HE2  GLN  18          1HE2      GLN  18   4.009  -9.037  -7.084
  141    H    LEU  19           H        LEU  19   4.488  -4.259  -1.190
  142    HA   LEU  19           HA       LEU  19   7.330  -3.710  -1.421
  143   1HB   LEU  19          1HB       LEU  19   5.164  -1.973  -0.247
  144   2HB   LEU  19          2HB       LEU  19   6.780  -1.471  -0.705
  145    HG   LEU  19           HG       LEU  19   4.863  -2.576  -2.737
  146   1HD1  LEU  19          1HD1      LEU  19   3.751  -0.707  -1.600
  147   2HD1  LEU  19          2HD1      LEU  19   5.151   0.314  -1.931
  148   3HD1  LEU  19          3HD1      LEU  19   4.180  -0.309  -3.265
  149   1HD2  LEU  19          1HD2      LEU  19   7.447  -1.090  -2.754
  150   2HD2  LEU  19          2HD2      LEU  19   6.934  -2.476  -3.718
  151   3HD2  LEU  19          3HD2      LEU  19   6.317  -0.867  -4.090
  152    H    GLU  20           H        GLU  20   4.908  -3.692   1.199
  153    HA   GLU  20           HA       GLU  20   6.528  -3.239   3.355
  154   1HB   GLU  20          1HB       GLU  20   3.976  -3.634   3.232
  155   2HB   GLU  20          2HB       GLU  20   4.373  -5.326   3.497
  156   1HG   GLU  20          1HG       GLU  20   5.807  -4.039   5.457
  157   2HG   GLU  20          2HG       GLU  20   4.316  -3.103   5.366
  158    H    GLN  21           H        GLN  21   6.322  -6.143   1.447
  159    HA   GLN  21           HA       GLN  21   7.851  -7.690   3.376
  160   1HB   GLN  21          1HB       GLN  21   5.987  -8.343   1.412
  161   2HB   GLN  21          2HB       GLN  21   7.515  -8.925   0.766
  162   1HG   GLN  21          1HG       GLN  21   6.302  -9.637   3.426
  163   2HG   GLN  21          2HG       GLN  21   6.416 -10.674   2.004
  164   1HE2  GLN  21          2HE2      GLN  21   8.139  -9.217   4.642
  165   2HE2  GLN  21          1HE2      GLN  21   9.579 -10.161   4.493
  166    H    GLU  22           H        GLU  22   8.341  -5.908   0.429
  167    HA   GLU  22           HA       GLU  22  10.976  -7.030  -0.024
  168   1HB   GLU  22          1HB       GLU  22   9.345  -6.290  -1.848
  169   2HB   GLU  22          2HB       GLU  22   9.780  -4.642  -1.418
  170   1HG   GLU  22          1HG       GLU  22  11.768  -4.763  -2.439
  171   2HG   GLU  22          2HG       GLU  22  12.058  -6.418  -1.905
  172    H    VAL  23           H        VAL  23   9.539  -4.138   1.325
  173    HA   VAL  23           HA       VAL  23  11.885  -2.560   1.428
  174    HB   VAL  23           HB       VAL  23   9.591  -2.358   3.373
  175   1HG1  VAL  23          1HG1      VAL  23  11.769  -0.560   2.427
  176   2HG1  VAL  23          2HG1      VAL  23  10.226   0.148   2.904
  177   3HG1  VAL  23          3HG1      VAL  23  11.148  -0.819   4.057
  178   1HG2  VAL  23          1HG2      VAL  23   9.480  -2.145   0.517
  179   2HG2  VAL  23          2HG2      VAL  23   8.187  -1.948   1.700
  180   3HG2  VAL  23          3HG2      VAL  23   9.179  -0.565   1.240
  181    H    ALA  24           H        ALA  24  10.588  -5.056   3.488
  182    HA   ALA  24           HA       ALA  24  12.068  -4.507   5.819
  183   1HB   ALA  24          1HB       ALA  24  10.585  -6.841   4.752
  184   2HB   ALA  24          2HB       ALA  24  11.723  -7.126   6.068
  185   3HB   ALA  24          3HB       ALA  24  10.400  -5.980   6.280
  186    H    GLN  25           H        GLN  25  13.066  -5.703   2.780
  187    HA   GLN  25           HA       GLN  25  15.555  -6.749   3.957
  188   1HB   GLN  25          1HB       GLN  25  14.202  -7.379   1.333
  189   2HB   GLN  25          2HB       GLN  25  15.836  -7.896   1.724
  190   1HG   GLN  25          1HG       GLN  25  14.014  -8.605   3.834
  191   2HG   GLN  25          2HG       GLN  25  13.450  -9.223   2.283
  192   1HE2  GLN  25          2HE2      GLN  25  16.168  -9.163   4.506
  193   2HE2  GLN  25          1HE2      GLN  25  16.874 -10.649   3.980
  194    H    LEU  26           H        LEU  26  14.184  -4.467   1.701
  195    HA   LEU  26           HA       LEU  26  16.518  -3.782   0.296
  196   1HB   LEU  26          1HB       LEU  26  13.989  -2.276   0.909
  197   2HB   LEU  26          2HB       LEU  26  15.289  -1.551  -0.018
  198    HG   LEU  26           HG       LEU  26  13.735  -4.024  -0.775
  199   1HD1  LEU  26          1HD1      LEU  26  12.838  -1.528  -0.975
  200   2HD1  LEU  26          2HD1      LEU  26  13.809  -1.582  -2.446
  201   3HD1  LEU  26          3HD1      LEU  26  12.513  -2.753  -2.201
  202   1HD2  LEU  26          1HD2      LEU  26  16.081  -2.654  -2.060
  203   2HD2  LEU  26          2HD2      LEU  26  15.927  -4.345  -1.587
  204   3HD2  LEU  26          3HD2      LEU  26  14.995  -3.723  -2.949
  205    H    GLU  27           H        GLU  27  14.960  -1.568   2.600
  206    HA   GLU  27           HA       GLU  27  17.328  -0.141   3.122
  207   1HB   GLU  27          1HB       GLU  27  16.071   0.927   4.937
  208   2HB   GLU  27          2HB       GLU  27  15.118   0.837   3.461
  209   1HG   GLU  27          1HG       GLU  27  13.604   0.241   5.096
  210   2HG   GLU  27          2HG       GLU  27  14.148  -1.317   4.478
  211    H    HIS  28           H        HIS  28  15.854  -2.905   4.697
  212    HA   HIS  28           HA       HIS  28  17.454  -2.838   7.042
  213   1HB   HIS  28          1HB       HIS  28  15.239  -4.124   6.572
  214   2HB   HIS  28          2HB       HIS  28  16.298  -5.371   5.920
  215    HD1  HIS  28           HD1      HIS  28  14.554  -4.832   8.861
  216    HD2  HIS  28           HD2      HIS  28  18.545  -5.681   8.082
  217    HE1  HIS  28           HE1      HIS  28  15.500  -5.813  10.991
  218    H    GLU  29           H        GLU  29  17.559  -5.146   4.321
  219    HA   GLU  29           HA       GLU  29  20.281  -5.865   5.005
  220   1HB   GLU  29          1HB       GLU  29  18.248  -7.315   3.993
  221   2HB   GLU  29          2HB       GLU  29  19.061  -6.869   2.498
  222   1HG   GLU  29          1HG       GLU  29  19.894  -8.985   3.211
  223   2HG   GLU  29          2HG       GLU  29  21.167  -7.785   3.431
  224    H    GLY  30           H        GLY  30  22.031  -4.937   4.181
  225   1HA   GLY  30          1HA       GLY  30  21.863  -3.714   1.510
  226   2HA   GLY  30          2HA       GLY  30  22.475  -2.763   2.855
  227   1HN   NH2  31          1HN       NH2  31  24.596  -2.723   3.064
  228   2HN   NH2  31          2HN       NH2  31  25.700  -3.924   2.495
  229   1H    ACE   0          1H        ACE   0 -16.860  -4.703   3.734
  230   2H    ACE   0          2H        ACE   0 -18.343  -5.659   3.701
  231   3H    ACE   0          3H        ACE   0 -18.169  -4.343   4.862
  232    H    GLU   1           H        GLU   1 -19.504  -2.737   4.307
  233    HA   GLU   1           HA       GLU   1 -20.148  -2.240   1.525
  234   1HB   GLU   1          1HB       GLU   1 -21.146  -0.637   3.866
  235   2HB   GLU   1          2HB       GLU   1 -21.912  -0.880   2.303
  236   1HG   GLU   1          1HG       GLU   1 -22.523  -3.096   2.836
  237   2HG   GLU   1          2HG       GLU   1 -21.479  -3.118   4.256
  238    H    VAL   2           H        VAL   2 -20.649   0.519   1.653
  239    HA   VAL   2           HA       VAL   2 -18.471   1.686   0.618
  240    HB   VAL   2           HB       VAL   2 -19.369   3.874   1.855
  241   1HG1  VAL   2          1HG1      VAL   2 -19.431   3.334  -0.565
  242   2HG1  VAL   2          2HG1      VAL   2 -20.942   2.464  -0.294
  243   3HG1  VAL   2          3HG1      VAL   2 -20.860   4.200   0.001
  244   1HG2  VAL   2          1HG2      VAL   2 -20.911   2.072   3.137
  245   2HG2  VAL   2          2HG2      VAL   2 -21.397   3.742   2.842
  246   3HG2  VAL   2          3HG2      VAL   2 -21.955   2.458   1.769
  247    H    GLN   3           H        GLN   3 -19.185   2.967   3.802
  248    HA   GLN   3           HA       GLN   3 -16.581   3.677   4.410
  249   1HB   GLN   3          1HB       GLN   3 -18.835   3.023   6.314
  250   2HB   GLN   3          2HB       GLN   3 -17.370   3.894   6.740
  251   1HG   GLN   3          1HG       GLN   3 -18.248   5.371   4.651
  252   2HG   GLN   3          2HG       GLN   3 -19.774   4.810   5.334
  253   1HE2  GLN   3          2HE2      GLN   3 -17.721   7.294   5.364
  254   2HE2  GLN   3          1HE2      GLN   3 -17.975   7.901   6.961
  255    H    ALA   4           H        ALA   4 -18.318   0.691   5.101
  256    HA   ALA   4           HA       ALA   4 -16.558  -0.474   6.900
  257   1HB   ALA   4          1HB       ALA   4 -18.856  -1.265   5.637
  258   2HB   ALA   4          2HB       ALA   4 -17.658  -2.386   4.992
  259   3HB   ALA   4          3HB       ALA   4 -17.895  -2.255   6.735
  260    H    LEU   5           H        LEU   5 -16.242  -0.075   3.453
  261    HA   LEU   5           HA       LEU   5 -13.729  -1.621   3.534
  262   1HB   LEU   5          1HB       LEU   5 -15.792  -1.208   1.442
  263   2HB   LEU   5          2HB       LEU   5 -14.131  -1.322   0.907
  264    HG   LEU   5           HG       LEU   5 -15.381  -3.428   2.657
  265   1HD1  LEU   5          1HD1      LEU   5 -16.576  -2.927   0.394
  266   2HD1  LEU   5          2HD1      LEU   5 -15.174  -3.740  -0.304
  267   3HD1  LEU   5          3HD1      LEU   5 -16.204  -4.590   0.849
  268   1HD2  LEU   5          1HD2      LEU   5 -12.874  -3.110   1.100
  269   2HD2  LEU   5          2HD2      LEU   5 -13.146  -3.869   2.669
  270   3HD2  LEU   5          3HD2      LEU   5 -13.594  -4.717   1.190
  271    H    LYS   6           H        LYS   6 -15.297   1.238   2.265
  272    HA   LYS   6           HA       LYS   6 -13.302   2.591   1.013
  273   1HB   LYS   6          1HB       LYS   6 -15.484   3.499   1.017
  274   2HB   LYS   6          2HB       LYS   6 -15.556   3.506   2.770
  275   1HG   LYS   6          1HG       LYS   6 -14.751   5.577   2.865
  276   2HG   LYS   6          2HG       LYS   6 -13.388   5.161   1.825
  277   1HD   LYS   6          1HD       LYS   6 -14.373   6.631   0.419
  278   2HD   LYS   6          2HD       LYS   6 -15.364   5.232  -0.002
  279   1HE   LYS   6          1HE       LYS   6 -16.985   6.810   0.399
  280   2HE   LYS   6          2HE       LYS   6 -16.845   6.061   1.989
  281   1HZ   LYS   6          1HZ       LYS   6 -15.444   8.547   1.170
  282   2HZ   LYS   6          2HZ       LYS   6 -16.875   8.504   2.069
  283   3HZ   LYS   6          3HZ       LYS   6 -15.452   7.857   2.716
  284    H    LYS   7           H        LYS   7 -13.803   2.259   4.493
  285    HA   LYS   7           HA       LYS   7 -11.632   4.075   5.114
  286   1HB   LYS   7          1HB       LYS   7 -13.590   2.473   6.707
  287   2HB   LYS   7          2HB       LYS   7 -12.124   3.047   7.489
  288   1HG   LYS   7          1HG       LYS   7 -13.106   4.997   7.830
  289   2HG   LYS   7          2HG       LYS   7 -13.188   5.239   6.085
  290   1HD   LYS   7          1HD       LYS   7 -15.405   5.456   6.805
  291   2HD   LYS   7          2HD       LYS   7 -15.312   3.816   6.174
  292   1HE   LYS   7          1HE       LYS   7 -15.875   2.956   8.146
  293   2HE   LYS   7          2HE       LYS   7 -14.599   3.858   8.961
  294   1HZ   LYS   7          1HZ       LYS   7 -16.325   5.803   8.629
  295   2HZ   LYS   7          2HZ       LYS   7 -17.426   4.518   8.637
  296   3HZ   LYS   7          3HZ       LYS   7 -16.404   4.762   9.961
  297    H    ARG   8           H        ARG   8 -12.232   0.603   5.122
  298    HA   ARG   8           HA       ARG   8  -9.885  -0.220   6.392
  299   1HB   ARG   8          1HB       ARG   8 -10.459  -2.360   5.782
  300   2HB   ARG   8          2HB       ARG   8 -12.008  -1.554   5.608
  301   1HG   ARG   8          1HG       ARG   8 -12.085  -2.461   3.580
  302   2HG   ARG   8          2HG       ARG   8 -10.882  -1.259   3.114
  303   1HD   ARG   8          1HD       ARG   8  -9.483  -2.919   2.642
  304   2HD   ARG   8          2HD       ARG   8  -9.455  -3.331   4.354
  305    HE   ARG   8           HE       ARG   8 -11.037  -4.625   2.266
  306   1HH1  ARG   8          1HH1      ARG   8 -10.184  -4.405   5.651
  307   2HH1  ARG   8          2HH1      ARG   8 -10.796  -5.979   6.030
  308   1HH2  ARG   8          1HH2      ARG   8 -11.843  -6.689   2.775
  309   2HH2  ARG   8          2HH2      ARG   8 -11.736  -7.273   4.403
  310    H    VAL   9           H        VAL   9 -10.405   1.003   3.201
  311    HA   VAL   9           HA       VAL   9  -8.113  -0.059   1.935
  312    HB   VAL   9           HB       VAL   9  -9.567   2.519   1.324
  313   1HG1  VAL   9          1HG1      VAL   9  -7.255   2.241   0.345
  314   2HG1  VAL   9          2HG1      VAL   9  -7.894   0.861  -0.549
  315   3HG1  VAL   9          3HG1      VAL   9  -8.559   2.472  -0.818
  316   1HG2  VAL   9          1HG2      VAL   9 -10.683   0.073   1.291
  317   2HG2  VAL   9          2HG2      VAL   9 -11.124   1.359   0.168
  318   3HG2  VAL   9          3HG2      VAL   9  -9.982   0.110  -0.327
  319    H    GLN  10           H        GLN  10  -8.685   2.995   3.657
  320    HA   GLN  10           HA       GLN  10  -6.265   4.247   3.187
  321   1HB   GLN  10          1HB       GLN  10  -6.713   5.610   5.079
  322   2HB   GLN  10          2HB       GLN  10  -8.274   5.197   4.385
  323   1HG   GLN  10          1HG       GLN  10  -8.918   4.518   6.385
  324   2HG   GLN  10          2HG       GLN  10  -7.750   3.204   6.268
  325   1HE2  GLN  10          2HE2      GLN  10  -7.583   3.323   8.565
  326   2HE2  GLN  10          1HE2      GLN  10  -6.592   4.528   9.307
  327    H    ALA  11           H        ALA  11  -6.944   1.505   5.190
  328    HA   ALA  11           HA       ALA  11  -4.582   1.684   6.794
  329   1HB   ALA  11          1HB       ALA  11  -6.471  -0.608   6.292
  330   2HB   ALA  11          2HB       ALA  11  -5.165  -0.622   7.476
  331   3HB   ALA  11          3HB       ALA  11  -6.501   0.516   7.650
  332    H    LEU  12           H        LEU  12  -4.978   0.975   3.560
  333    HA   LEU  12           HA       LEU  12  -2.682  -0.862   3.533
  334   1HB   LEU  12          1HB       LEU  12  -4.238  -0.318   1.061
  335   2HB   LEU  12          2HB       LEU  12  -3.441  -1.788   1.577
  336    HG   LEU  12           HG       LEU  12  -5.914  -0.839   2.985
  337   1HD1  LEU  12          1HD1      LEU  12  -6.134  -1.032   0.398
  338   2HD1  LEU  12          2HD1      LEU  12  -6.076  -2.766   0.714
  339   3HD1  LEU  12          3HD1      LEU  12  -7.341  -1.778   1.444
  340   1HD2  LEU  12          1HD2      LEU  12  -4.348  -3.359   2.750
  341   2HD2  LEU  12          2HD2      LEU  12  -5.066  -2.603   4.172
  342   3HD2  LEU  12          3HD2      LEU  12  -6.087  -3.464   3.021
  343    H    LYS  13           H        LYS  13  -4.003   1.991   1.881
  344    HA   LYS  13           HA       LYS  13  -1.544   2.514   0.499
  345   1HB   LYS  13          1HB       LYS  13  -2.712   4.670  -0.137
  346   2HB   LYS  13          2HB       LYS  13  -3.493   3.183  -0.651
  347   1HG   LYS  13          1HG       LYS  13  -5.159   4.701   0.139
  348   2HG   LYS  13          2HG       LYS  13  -5.025   3.375   1.292
  349   1HD   LYS  13          1HD       LYS  13  -4.210   4.708   2.931
  350   2HD   LYS  13          2HD       LYS  13  -3.311   5.723   1.802
  351   1HE   LYS  13          1HE       LYS  13  -6.070   6.106   1.288
  352   2HE   LYS  13          2HE       LYS  13  -5.834   6.215   3.033
  353   1HZ   LYS  13          1HZ       LYS  13  -3.799   7.688   2.180
  354   2HZ   LYS  13          2HZ       LYS  13  -4.892   7.975   0.922
  355   3HZ   LYS  13          3HZ       LYS  13  -5.327   8.331   2.517
  356    H    ALA  14           H        ALA  14  -2.792   3.309   3.591
  357    HA   ALA  14           HA       ALA  14  -1.610   5.780   4.092
  358   1HB   ALA  14          1HB       ALA  14  -2.337   3.475   5.860
  359   2HB   ALA  14          2HB       ALA  14  -1.537   4.902   6.517
  360   3HB   ALA  14          3HB       ALA  14  -3.102   5.058   5.719
  361    H    ARG  15           H        ARG  15  -0.278   2.521   4.605
  362    HA   ARG  15           HA       ARG  15   2.316   3.639   5.290
  363   1HB   ARG  15          1HB       ARG  15   1.122   1.521   6.300
  364   2HB   ARG  15          2HB       ARG  15   1.840   0.710   4.915
  365   1HG   ARG  15          1HG       ARG  15   3.558   0.398   6.322
  366   2HG   ARG  15          2HG       ARG  15   3.987   2.041   5.843
  367   1HD   ARG  15          1HD       ARG  15   3.887   2.600   7.994
  368   2HD   ARG  15          2HD       ARG  15   2.143   2.360   7.905
  369    HE   ARG  15           HE       ARG  15   3.180  -0.136   8.348
  370   1HH1  ARG  15          1HH1      ARG  15   3.330   2.942   9.987
  371   2HH1  ARG  15          2HH1      ARG  15   3.502   2.237  11.559
  372   1HH2  ARG  15          1HH2      ARG  15   3.406  -1.065  10.416
  373   2HH2  ARG  15          2HH2      ARG  15   3.547  -0.037  11.803
  374    H    ASN  16           H        ASN  16   0.797   1.811   2.687
  375    HA   ASN  16           HA       ASN  16   3.053   1.162   1.194
  376   1HB   ASN  16          1HB       ASN  16   0.868   0.239   0.680
  377   2HB   ASN  16          2HB       ASN  16   0.258   1.831   0.252
  378   1HD2  ASN  16          2HD2      ASN  16  -0.184   0.146  -1.616
  379   2HD2  ASN  16          1HD2      ASN  16   0.947   0.238  -2.918
  380    H    TYR  17           H        TYR  17   1.118   4.131   1.192
  381    HA   TYR  17           HA       TYR  17   2.198   5.429  -0.987
  382   1HB   TYR  17          1HB       TYR  17   0.327   6.352   0.262
  383   2HB   TYR  17          2HB       TYR  17   1.357   6.616   1.665
  384    HD1  TYR  17           HD1      TYR  17   0.458   7.815  -1.676
  385    HD2  TYR  17           HD2      TYR  17   2.948   8.454   1.715
  386    HE1  TYR  17           HE1      TYR  17   1.004  10.063  -2.507
  387    HE2  TYR  17           HE2      TYR  17   3.499  10.705   0.893
  388    HH   TYR  17           HH       TYR  17   3.470  11.773  -1.706
  389    H    ALA  18           H        ALA  18   3.536   5.092   2.254
  390    HA   ALA  18           HA       ALA  18   5.719   6.883   1.806
  391   1HB   ALA  18          1HB       ALA  18   4.940   4.976   3.953
  392   2HB   ALA  18          2HB       ALA  18   6.613   5.531   3.887
  393   3HB   ALA  18          3HB       ALA  18   5.302   6.700   4.048
  394    H    LEU  19           H        LEU  19   5.409   3.334   1.849
  395    HA   LEU  19           HA       LEU  19   8.121   2.823   1.253
  396   1HB   LEU  19          1HB       LEU  19   6.056   0.930   0.268
  397   2HB   LEU  19          2HB       LEU  19   7.562   0.608   1.097
  398    HG   LEU  19           HG       LEU  19   4.957   1.483   2.325
  399   1HD1  LEU  19          1HD1      LEU  19   6.457  -1.035   2.098
  400   2HD1  LEU  19          2HD1      LEU  19   5.800  -0.679   3.695
  401   3HD1  LEU  19          3HD1      LEU  19   4.728  -0.753   2.297
  402   1HD2  LEU  19          1HD2      LEU  19   7.732   1.668   3.345
  403   2HD2  LEU  19          2HD2      LEU  19   6.318   2.654   3.715
  404   3HD2  LEU  19          3HD2      LEU  19   6.502   1.065   4.457
  405    H    LYS  20           H        LYS  20   5.241   2.823  -0.846
  406    HA   LYS  20           HA       LYS  20   6.345   2.278  -3.275
  407   1HB   LYS  20          1HB       LYS  20   3.916   3.191  -2.419
  408   2HB   LYS  20          2HB       LYS  20   4.490   4.558  -3.363
  409   1HG   LYS  20          1HG       LYS  20   4.594   3.305  -5.333
  410   2HG   LYS  20          2HG       LYS  20   4.530   1.770  -4.463
  411   1HD   LYS  20          1HD       LYS  20   2.241   2.053  -3.942
  412   2HD   LYS  20          2HD       LYS  20   2.266   3.750  -4.424
  413   1HE   LYS  20          1HE       LYS  20   2.838   2.927  -6.755
  414   2HE   LYS  20          2HE       LYS  20   2.422   1.314  -6.181
  415   1HZ   LYS  20          1HZ       LYS  20   0.589   3.648  -6.101
  416   2HZ   LYS  20          2HZ       LYS  20   0.571   2.456  -7.301
  417   3HZ   LYS  20          3HZ       LYS  20   0.206   2.050  -5.700
  418    H    GLN  21           H        GLN  21   6.769   5.175  -1.401
  419    HA   GLN  21           HA       GLN  21   7.925   6.646  -3.610
  420   1HB   GLN  21          1HB       GLN  21   6.562   7.874  -2.048
  421   2HB   GLN  21          2HB       GLN  21   7.552   7.339  -0.698
  422   1HG   GLN  21          1HG       GLN  21   8.777   9.164  -0.926
  423   2HG   GLN  21          2HG       GLN  21   9.301   8.585  -2.507
  424   1HE2  GLN  21          2HE2      GLN  21   7.686  10.998  -0.844
  425   2HE2  GLN  21          1HE2      GLN  21   6.954  11.798  -2.189
  426    H    LYS  22           H        LYS  22   9.050   5.190  -0.563
  427    HA   LYS  22           HA       LYS  22  11.797   5.917  -1.184
  428   1HB   LYS  22          1HB       LYS  22  12.304   4.861   1.015
  429   2HB   LYS  22          2HB       LYS  22  11.142   6.178   1.104
  430   1HG   LYS  22          1HG       LYS  22   9.693   4.850   2.113
  431   2HG   LYS  22          2HG       LYS  22   9.707   3.760   0.726
  432   1HD   LYS  22          1HD       LYS  22  10.295   2.582   2.787
  433   2HD   LYS  22          2HD       LYS  22  11.645   2.596   1.651
  434   1HE   LYS  22          1HE       LYS  22  12.946   3.770   3.045
  435   2HE   LYS  22          2HE       LYS  22  11.642   4.876   3.470
  436   1HZ   LYS  22          1HZ       LYS  22  11.435   2.185   4.548
  437   2HZ   LYS  22          2HZ       LYS  22  12.691   3.135   5.172
  438   3HZ   LYS  22          3HZ       LYS  22  11.090   3.673   5.275
  439    H    VAL  23           H        VAL  23   9.787   3.037  -1.119
  440    HA   VAL  23           HA       VAL  23  11.454   0.941  -1.072
  441    HB   VAL  23           HB       VAL  23   9.191   1.376  -3.019
  442   1HG1  VAL  23          1HG1      VAL  23  11.110  -0.819  -2.844
  443   2HG1  VAL  23          2HG1      VAL  23   9.430  -1.343  -2.719
  444   3HG1  VAL  23          3HG1      VAL  23   9.961  -0.416  -4.120
  445   1HG2  VAL  23          1HG2      VAL  23   9.099   1.130  -0.329
  446   2HG2  VAL  23          2HG2      VAL  23   7.810   0.608  -1.413
  447   3HG2  VAL  23          3HG2      VAL  23   8.985  -0.562  -0.815
  448    H    GLN  24           H        GLN  24  10.693   2.517  -4.192
  449    HA   GLN  24           HA       GLN  24  12.629   1.223  -5.701
  450   1HB   GLN  24          1HB       GLN  24  12.428   3.151  -7.272
  451   2HB   GLN  24          2HB       GLN  24  10.885   2.459  -6.787
  452   1HG   GLN  24          1HG       GLN  24  10.894   4.320  -4.989
  453   2HG   GLN  24          2HG       GLN  24  12.107   5.076  -6.024
  454   1HE2  GLN  24          2HE2      GLN  24   8.958   5.115  -5.315
  455   2HE2  GLN  24          1HE2      GLN  24   8.297   5.617  -6.831
  456    H    ALA  25           H        ALA  25  12.935   3.938  -3.541
  457    HA   ALA  25           HA       ALA  25  15.482   4.817  -4.470
  458   1HB   ALA  25          1HB       ALA  25  13.632   5.946  -2.904
  459   2HB   ALA  25          2HB       ALA  25  14.721   5.332  -1.660
  460   3HB   ALA  25          3HB       ALA  25  15.325   6.437  -2.895
  461    H    LEU  26           H        LEU  26  14.393   2.598  -1.951
  462    HA   LEU  26           HA       LEU  26  16.935   2.182  -0.769
  463   1HB   LEU  26          1HB       LEU  26  14.661   0.207  -0.809
  464   2HB   LEU  26          2HB       LEU  26  15.931   0.353   0.390
  465    HG   LEU  26           HG       LEU  26  13.725   2.358  -0.078
  466   1HD1  LEU  26          1HD1      LEU  26  14.043   0.049   1.743
  467   2HD1  LEU  26          2HD1      LEU  26  13.347   1.521   2.420
  468   3HD1  LEU  26          3HD1      LEU  26  12.587   0.744   1.031
  469   1HD2  LEU  26          1HD2      LEU  26  16.214   2.858   0.944
  470   2HD2  LEU  26          2HD2      LEU  26  14.757   3.782   1.305
  471   3HD2  LEU  26          3HD2      LEU  26  15.277   2.496   2.394
  472    H    ARG  27           H        ARG  27  15.171   0.545  -3.351
  473    HA   ARG  27           HA       ARG  27  17.218  -1.463  -3.676
  474   1HB   ARG  27          1HB       ARG  27  15.851  -2.236  -5.572
  475   2HB   ARG  27          2HB       ARG  27  14.905  -2.066  -4.101
  476   1HG   ARG  27          1HG       ARG  27  14.438   0.333  -5.137
  477   2HG   ARG  27          2HG       ARG  27  14.776  -0.539  -6.633
  478   1HD   ARG  27          1HD       ARG  27  13.112  -2.256  -5.268
  479   2HD   ARG  27          2HD       ARG  27  12.459  -0.668  -4.868
  480    HE   ARG  27           HE       ARG  27  12.932  -0.798  -7.634
  481   1HH1  ARG  27          1HH1      ARG  27  10.801  -2.137  -5.215
  482   2HH1  ARG  27          2HH1      ARG  27   9.487  -2.366  -6.320
  483   1HH2  ARG  27          1HH2      ARG  27  11.205  -1.100  -9.089
  484   2HH2  ARG  27          2HH2      ARG  27   9.716  -1.778  -8.519
  485    H    HIS  28           H        HIS  28  17.178   1.713  -4.444
  486    HA   HIS  28           HA       HIS  28  18.342   1.466  -7.099
  487   1HB   HIS  28          1HB       HIS  28  16.842   3.437  -5.877
  488   2HB   HIS  28          2HB       HIS  28  18.469   4.105  -5.840
  489    HD1  HIS  28           HD1      HIS  28  15.653   4.378  -7.853
  490    HD2  HIS  28           HD2      HIS  28  19.634   3.521  -8.677
  491    HE1  HIS  28           HE1      HIS  28  16.005   4.924 -10.297
  492    H    LYS  29           H        LYS  29  19.301   2.191  -3.799
  493    HA   LYS  29           HA       LYS  29  21.986   2.927  -4.487
  494   1HB   LYS  29          1HB       LYS  29  20.899   3.792  -2.463
  495   2HB   LYS  29          2HB       LYS  29  20.789   2.159  -1.818
  496   1HG   LYS  29          1HG       LYS  29  22.897   2.183  -1.090
  497   2HG   LYS  29          2HG       LYS  29  23.499   2.915  -2.579
  498   1HD   LYS  29          1HD       LYS  29  22.850   5.108  -1.821
  499   2HD   LYS  29          2HD       LYS  29  22.066   4.424  -0.396
  500   1HE   LYS  29          1HE       LYS  29  24.209   5.326   0.235
  501   2HE   LYS  29          2HE       LYS  29  24.262   3.568   0.353
  502   1HZ   LYS  29          1HZ       LYS  29  25.292   3.587  -1.909
  503   2HZ   LYS  29          2HZ       LYS  29  25.427   5.268  -1.778
  504   3HZ   LYS  29          3HZ       LYS  29  26.250   4.265  -0.691
  505    H    GLY  30           H        GLY  30  20.453   0.044  -3.083
  506   1HA   GLY  30          1HA       GLY  30  22.989  -1.401  -3.267
  507   2HA   GLY  30          2HA       GLY  30  21.528  -1.969  -2.474
  508   1HN   NH2  31          1HN       NH2  31  21.993  -0.738  -5.756
  509   2HN   NH2  31          2HN       NH2  31  21.465  -2.173  -6.560
  Start of MODEL   15
    1   1H    ACE   0          1H        ACE   0 -23.313   1.561   0.304
    2   2H    ACE   0          2H        ACE   0 -24.814   0.662   0.524
    3   3H    ACE   0          3H        ACE   0 -24.491   1.477  -1.006
    4    H    GLU   1           H        GLU   1 -22.981   0.580  -2.454
    5    HA   GLU   1           HA       GLU   1 -22.901  -2.222  -2.571
    6   1HB   GLU   1          1HB       GLU   1 -21.372  -0.081  -4.038
    7   2HB   GLU   1          2HB       GLU   1 -21.127  -1.790  -4.369
    8   1HG   GLU   1          1HG       GLU   1 -23.899  -1.381  -4.434
    9   2HG   GLU   1          2HG       GLU   1 -23.180  -0.030  -5.310
   10    H    VAL   2           H        VAL   2 -21.758  -3.567  -1.360
   11    HA   VAL   2           HA       VAL   2 -19.430  -2.658   0.091
   12    HB   VAL   2           HB       VAL   2 -20.580  -5.449  -0.016
   13   1HG1  VAL   2          1HG1      VAL   2 -18.194  -4.692   0.983
   14   2HG1  VAL   2          2HG1      VAL   2 -19.221  -4.425   2.391
   15   3HG1  VAL   2          3HG1      VAL   2 -19.154  -6.018   1.638
   16   1HG2  VAL   2          1HG2      VAL   2 -21.271  -3.113   1.755
   17   2HG2  VAL   2          2HG2      VAL   2 -22.348  -4.044   0.712
   18   3HG2  VAL   2          3HG2      VAL   2 -21.664  -4.785   2.159
   19    H    ALA   3           H        ALA   3 -20.113  -5.198  -2.317
   20    HA   ALA   3           HA       ALA   3 -17.512  -6.140  -2.625
   21   1HB   ALA   3          1HB       ALA   3 -19.728  -7.054  -3.574
   22   2HB   ALA   3          2HB       ALA   3 -19.405  -5.988  -4.942
   23   3HB   ALA   3          3HB       ALA   3 -18.255  -7.258  -4.524
   24    H    GLN   4           H        GLN   4 -19.129  -3.388  -4.107
   25    HA   GLN   4           HA       GLN   4 -17.247  -2.786  -6.085
   26   1HB   GLN   4          1HB       GLN   4 -19.246  -1.150  -4.561
   27   2HB   GLN   4          2HB       GLN   4 -18.123  -0.364  -5.663
   28   1HG   GLN   4          1HG       GLN   4 -19.895  -2.638  -6.500
   29   2HG   GLN   4          2HG       GLN   4 -20.393  -0.950  -6.590
   30   1HE2  GLN   4          2HE2      GLN   4 -20.492  -0.711  -8.753
   31   2HE2  GLN   4          1HE2      GLN   4 -19.142  -0.878  -9.818
   32    H    LEU   5           H        LEU   5 -17.496  -1.586  -2.746
   33    HA   LEU   5           HA       LEU   5 -15.065  -0.088  -2.906
   34   1HB   LEU   5          1HB       LEU   5 -16.883  -0.892  -0.652
   35   2HB   LEU   5          2HB       LEU   5 -15.360  -0.081  -0.344
   36    HG   LEU   5           HG       LEU   5 -17.369   1.120  -2.220
   37   1HD1  LEU   5          1HD1      LEU   5 -17.543   0.875   0.709
   38   2HD1  LEU   5          2HD1      LEU   5 -17.809   2.489   0.053
   39   3HD1  LEU   5          3HD1      LEU   5 -18.810   1.142  -0.489
   40   1HD2  LEU   5          1HD2      LEU   5 -15.135   2.201  -0.512
   41   2HD2  LEU   5          2HD2      LEU   5 -15.196   2.117  -2.273
   42   3HD2  LEU   5          3HD2      LEU   5 -16.277   3.207  -1.404
   43    H    GLU   6           H        GLU   6 -15.918  -3.344  -2.058
   44    HA   GLU   6           HA       GLU   6 -13.775  -4.128  -0.485
   45   1HB   GLU   6          1HB       GLU   6 -15.651  -5.483  -2.328
   46   2HB   GLU   6          2HB       GLU   6 -14.175  -6.359  -1.961
   47   1HG   GLU   6          1HG       GLU   6 -14.677  -6.100   0.451
   48   2HG   GLU   6          2HG       GLU   6 -16.210  -5.350   0.012
   49    H    LYS   7           H        LYS   7 -14.027  -3.985  -4.011
   50    HA   LYS   7           HA       LYS   7 -11.500  -5.079  -4.573
   51   1HB   LYS   7          1HB       LYS   7 -12.787  -3.015  -6.332
   52   2HB   LYS   7          2HB       LYS   7 -11.837  -4.417  -6.796
   53   1HG   LYS   7          1HG       LYS   7 -14.661  -4.386  -5.765
   54   2HG   LYS   7          2HG       LYS   7 -14.109  -4.826  -7.379
   55   1HD   LYS   7          1HD       LYS   7 -12.907  -6.364  -5.173
   56   2HD   LYS   7          2HD       LYS   7 -14.638  -6.608  -5.411
   57   1HE   LYS   7          1HE       LYS   7 -14.282  -7.848  -7.223
   58   2HE   LYS   7          2HE       LYS   7 -13.247  -6.611  -7.936
   59   1HZ   LYS   7          1HZ       LYS   7 -12.069  -8.167  -5.784
   60   2HZ   LYS   7          2HZ       LYS   7 -12.377  -9.014  -7.215
   61   3HZ   LYS   7          3HZ       LYS   7 -11.388  -7.641  -7.240
   62    H    GLU   8           H        GLU   8 -12.517  -1.885  -3.641
   63    HA   GLU   8           HA       GLU   8 -10.308  -0.397  -4.478
   64   1HB   GLU   8          1HB       GLU   8 -12.476   0.465  -3.488
   65   2HB   GLU   8          2HB       GLU   8 -11.814   0.072  -1.908
   66   1HG   GLU   8          1HG       GLU   8 -10.106   1.672  -2.109
   67   2HG   GLU   8          2HG       GLU   8 -10.384   1.865  -3.839
   68    H    VAL   9           H        VAL   9 -10.694  -2.651  -1.869
   69    HA   VAL   9           HA       VAL   9  -8.250  -1.844  -0.532
   70    HB   VAL   9           HB       VAL   9 -10.071  -4.210  -0.042
   71   1HG1  VAL   9          1HG1      VAL   9  -7.730  -3.191   1.565
   72   2HG1  VAL   9          2HG1      VAL   9  -8.862  -4.434   2.096
   73   3HG1  VAL   9          3HG1      VAL   9  -7.825  -4.725   0.700
   74   1HG2  VAL   9          1HG2      VAL   9 -10.109  -1.418   0.813
   75   2HG2  VAL   9          2HG2      VAL   9 -11.389  -2.631   0.841
   76   3HG2  VAL   9          3HG2      VAL   9 -10.207  -2.567   2.147
   77    H    ALA  10           H        ALA  10  -9.434  -4.648  -2.371
   78    HA   ALA  10           HA       ALA  10  -7.064  -6.134  -2.363
   79   1HB   ALA  10          1HB       ALA  10  -9.510  -6.075  -4.039
   80   2HB   ALA  10          2HB       ALA  10  -8.100  -6.914  -4.686
   81   3HB   ALA  10          3HB       ALA  10  -8.786  -7.406  -3.137
   82    H    GLN  11           H        GLN  11  -8.029  -3.343  -4.181
   83    HA   GLN  11           HA       GLN  11  -6.286  -3.495  -6.358
   84   1HB   GLN  11          1HB       GLN  11  -8.098  -1.857  -6.221
   85   2HB   GLN  11          2HB       GLN  11  -7.296  -1.059  -4.876
   86   1HG   GLN  11          1HG       GLN  11  -6.504   0.308  -6.454
   87   2HG   GLN  11          2HG       GLN  11  -5.345  -0.987  -6.754
   88   1HE2  GLN  11          2HE2      GLN  11  -7.778   0.932  -8.062
   89   2HE2  GLN  11          1HE2      GLN  11  -7.971   0.106  -9.566
   90    H    LEU  12           H        LEU  12  -5.833  -1.530  -3.408
   91    HA   LEU  12           HA       LEU  12  -3.086  -1.060  -3.908
   92   1HB   LEU  12          1HB       LEU  12  -4.614  -0.876  -1.311
   93   2HB   LEU  12          2HB       LEU  12  -3.017  -0.214  -1.602
   94    HG   LEU  12           HG       LEU  12  -5.450   0.646  -3.160
   95   1HD1  LEU  12          1HD1      LEU  12  -5.776   1.120  -0.779
   96   2HD1  LEU  12          2HD1      LEU  12  -4.223   1.949  -0.739
   97   3HD1  LEU  12          3HD1      LEU  12  -5.540   2.595  -1.715
   98   1HD2  LEU  12          1HD2      LEU  12  -2.605   1.533  -2.964
   99   2HD2  LEU  12          2HD2      LEU  12  -3.610   1.295  -4.392
  100   3HD2  LEU  12          3HD2      LEU  12  -3.862   2.703  -3.361
  101    H    GLU  13           H        GLU  13  -4.820  -3.433  -1.943
  102    HA   GLU  13           HA       GLU  13  -2.773  -4.543  -0.489
  103   1HB   GLU  13          1HB       GLU  13  -5.301  -5.594  -1.638
  104   2HB   GLU  13          2HB       GLU  13  -4.133  -6.779  -1.071
  105   1HG   GLU  13          1HG       GLU  13  -4.118  -5.704   1.127
  106   2HG   GLU  13          2HG       GLU  13  -5.308  -4.536   0.555
  107    H    ALA  14           H        ALA  14  -3.359  -4.775  -3.906
  108    HA   ALA  14           HA       ALA  14  -1.462  -6.925  -4.303
  109   1HB   ALA  14          1HB       ALA  14  -3.432  -6.768  -5.739
  110   2HB   ALA  14          2HB       ALA  14  -2.894  -5.189  -6.313
  111   3HB   ALA  14          3HB       ALA  14  -1.946  -6.630  -6.681
  112    H    GLU  15           H        GLU  15  -1.642  -3.435  -4.859
  113    HA   GLU  15           HA       GLU  15   0.990  -3.274  -5.995
  114   1HB   GLU  15          1HB       GLU  15  -0.975  -1.676  -6.402
  115   2HB   GLU  15          2HB       GLU  15  -0.576  -0.973  -4.840
  116   1HG   GLU  15          1HG       GLU  15   1.622  -0.372  -5.623
  117   2HG   GLU  15          2HG       GLU  15   1.328  -1.183  -7.161
  118    H    ASN  16           H        ASN  16  -0.428  -2.066  -2.949
  119    HA   ASN  16           HA       ASN  16   1.854  -1.176  -1.706
  120   1HB   ASN  16          1HB       ASN  16  -0.441  -0.909  -0.819
  121   2HB   ASN  16          2HB       ASN  16  -0.458  -2.611  -0.378
  122   1HD2  ASN  16          2HD2      ASN  16  -0.973  -1.190   1.652
  123   2HD2  ASN  16          1HD2      ASN  16   0.378  -0.916   2.691
  124    H    TYR  17           H        TYR  17   0.825  -4.453  -2.245
  125    HA   TYR  17           HA       TYR  17   2.602  -5.659  -0.356
  126   1HB   TYR  17          1HB       TYR  17   0.757  -6.996  -0.910
  127   2HB   TYR  17          2HB       TYR  17   0.920  -6.676  -2.632
  128    HD1  TYR  17           HD1      TYR  17   2.482  -8.488   0.209
  129    HD2  TYR  17           HD2      TYR  17   2.131  -8.140  -4.017
  130    HE1  TYR  17           HE1      TYR  17   3.714 -10.599  -0.061
  131    HE2  TYR  17           HE2      TYR  17   3.360 -10.250  -4.299
  132    HH   TYR  17           HH       TYR  17   4.884 -11.668  -3.112
  133    H    GLN  18           H        GLN  18   2.777  -4.735  -3.730
  134    HA   GLN  18           HA       GLN  18   5.087  -6.175  -4.439
  135   1HB   GLN  18          1HB       GLN  18   3.371  -4.777  -5.874
  136   2HB   GLN  18          2HB       GLN  18   4.538  -3.486  -5.623
  137   1HG   GLN  18          1HG       GLN  18   6.244  -5.304  -6.440
  138   2HG   GLN  18          2HG       GLN  18   4.802  -6.009  -7.171
  139   1HE2  GLN  18          2HE2      GLN  18   3.409  -4.284  -8.319
  140   2HE2  GLN  18          1HE2      GLN  18   4.276  -3.217  -9.366
  141    H    LEU  19           H        LEU  19   4.635  -3.202  -2.682
  142    HA   LEU  19           HA       LEU  19   7.470  -2.544  -2.821
  143   1HB   LEU  19          1HB       LEU  19   5.411  -1.100  -1.188
  144   2HB   LEU  19          2HB       LEU  19   6.924  -0.485  -1.819
  145    HG   LEU  19           HG       LEU  19   4.465  -1.142  -3.439
  146   1HD1  LEU  19          1HD1      LEU  19   4.458   0.926  -1.978
  147   2HD1  LEU  19          2HD1      LEU  19   5.757   1.533  -3.004
  148   3HD1  LEU  19          3HD1      LEU  19   4.177   1.179  -3.699
  149   1HD2  LEU  19          1HD2      LEU  19   6.990  -1.356  -4.350
  150   2HD2  LEU  19          2HD2      LEU  19   5.631  -0.832  -5.346
  151   3HD2  LEU  19          3HD2      LEU  19   6.707   0.363  -4.621
  152    H    GLU  20           H        GLU  20   5.037  -3.047  -0.260
  153    HA   GLU  20           HA       GLU  20   6.647  -3.058   1.946
  154   1HB   GLU  20          1HB       GLU  20   4.026  -3.694   1.449
  155   2HB   GLU  20          2HB       GLU  20   4.678  -5.233   1.993
  156   1HG   GLU  20          1HG       GLU  20   5.307  -4.347   4.079
  157   2HG   GLU  20          2HG       GLU  20   5.086  -2.687   3.526
  158    H    GLN  21           H        GLN  21   6.348  -5.560  -0.478
  159    HA   GLN  21           HA       GLN  21   7.689  -7.596   0.983
  160   1HB   GLN  21          1HB       GLN  21   7.903  -8.690  -1.234
  161   2HB   GLN  21          2HB       GLN  21   6.260  -8.195  -0.864
  162   1HG   GLN  21          1HG       GLN  21   6.263  -7.306  -2.904
  163   2HG   GLN  21          2HG       GLN  21   7.230  -6.016  -2.191
  164   1HE2  GLN  21          2HE2      GLN  21   7.234  -6.924  -4.916
  165   2HE2  GLN  21          1HE2      GLN  21   8.835  -7.472  -5.264
  166    H    GLU  22           H        GLU  22   8.698  -5.045  -1.212
  167    HA   GLU  22           HA       GLU  22  11.463  -5.952  -1.183
  168   1HB   GLU  22          1HB       GLU  22  10.179  -4.846  -3.169
  169   2HB   GLU  22          2HB       GLU  22  10.552  -3.339  -2.343
  170   1HG   GLU  22          1HG       GLU  22  12.266  -3.604  -3.899
  171   2HG   GLU  22          2HG       GLU  22  12.975  -4.112  -2.367
  172    H    VAL  23           H        VAL  23   9.413  -3.632   0.375
  173    HA   VAL  23           HA       VAL  23  11.566  -2.048   1.457
  174    HB   VAL  23           HB       VAL  23   8.709  -2.076   2.418
  175   1HG1  VAL  23          1HG1      VAL  23  10.924  -0.733   3.342
  176   2HG1  VAL  23          2HG1      VAL  23  10.135   0.457   2.307
  177   3HG1  VAL  23          3HG1      VAL  23   9.244  -0.285   3.635
  178   1HG2  VAL  23          1HG2      VAL  23   9.582  -1.458  -0.196
  179   2HG2  VAL  23          2HG2      VAL  23   7.986  -1.199   0.509
  180   3HG2  VAL  23          3HG2      VAL  23   9.206   0.071   0.598
  181    H    ALA  24           H        ALA  24   9.171  -4.334   2.767
  182    HA   ALA  24           HA       ALA  24  10.132  -4.376   5.400
  183   1HB   ALA  24          1HB       ALA  24   7.934  -5.282   4.617
  184   2HB   ALA  24          2HB       ALA  24   8.803  -6.673   3.969
  185   3HB   ALA  24          3HB       ALA  24   8.819  -6.353   5.703
  186    H    GLN  25           H        GLN  25  10.995  -6.282   2.559
  187    HA   GLN  25           HA       GLN  25  12.762  -8.046   3.927
  188   1HB   GLN  25          1HB       GLN  25  12.269  -7.366   1.047
  189   2HB   GLN  25          2HB       GLN  25  13.656  -8.350   1.492
  190   1HG   GLN  25          1HG       GLN  25  12.050  -9.881   2.675
  191   2HG   GLN  25          2HG       GLN  25  10.747  -8.965   1.919
  192   1HE2  GLN  25          2HE2      GLN  25  10.013  -9.763   0.094
  193   2HE2  GLN  25          1HE2      GLN  25  10.883 -10.773  -1.005
  194    H    LEU  26           H        LEU  26  13.211  -5.070   2.050
  195    HA   LEU  26           HA       LEU  26  15.983  -4.967   2.018
  196   1HB   LEU  26          1HB       LEU  26  13.807  -2.951   1.890
  197   2HB   LEU  26          2HB       LEU  26  15.423  -2.357   2.216
  198    HG   LEU  26           HG       LEU  26  14.704  -4.073  -0.164
  199   1HD1  LEU  26          1HD1      LEU  26  13.797  -1.560   0.174
  200   2HD1  LEU  26          2HD1      LEU  26  15.374  -1.232  -0.541
  201   3HD1  LEU  26          3HD1      LEU  26  14.215  -2.252  -1.393
  202   1HD2  LEU  26          1HD2      LEU  26  17.065  -4.126   0.607
  203   2HD2  LEU  26          2HD2      LEU  26  16.864  -3.451  -1.008
  204   3HD2  LEU  26          3HD2      LEU  26  17.141  -2.382   0.367
  205    H    GLU  27           H        GLU  27  13.981  -3.018   4.204
  206    HA   GLU  27           HA       GLU  27  16.189  -2.894   6.089
  207   1HB   GLU  27          1HB       GLU  27  13.590  -1.592   6.705
  208   2HB   GLU  27          2HB       GLU  27  15.228  -1.010   6.942
  209   1HG   GLU  27          1HG       GLU  27  13.945  -1.194   4.238
  210   2HG   GLU  27          2HG       GLU  27  13.855   0.237   5.260
  211    H    HIS  28           H        HIS  28  15.457  -5.419   6.058
  212    HA   HIS  28           HA       HIS  28  13.448  -5.926   8.098
  213   1HB   HIS  28          1HB       HIS  28  13.767  -7.323   5.971
  214   2HB   HIS  28          2HB       HIS  28  15.188  -7.991   6.765
  215    HD1  HIS  28           HD1      HIS  28  11.567  -8.422   6.523
  216    HD2  HIS  28           HD2      HIS  28  14.562  -9.356   9.247
  217    HE1  HIS  28           HE1      HIS  28  10.601 -10.178   8.066
  218    H    GLU  29           H        GLU  29  16.684  -5.162   8.097
  219    HA   GLU  29           HA       GLU  29  17.967  -6.879   9.797
  220   1HB   GLU  29          1HB       GLU  29  18.866  -4.764   8.705
  221   2HB   GLU  29          2HB       GLU  29  18.179  -3.884  10.063
  222   1HG   GLU  29          1HG       GLU  29  19.938  -6.175  10.695
  223   2HG   GLU  29          2HG       GLU  29  20.696  -4.736  10.014
  224    H    GLY  30           H        GLY  30  15.572  -4.435  10.625
  225   1HA   GLY  30          1HA       GLY  30  14.357  -4.099  12.543
  226   2HA   GLY  30          2HA       GLY  30  14.794  -5.739  12.996
  227   1HN   NH2  31          1HN       NH2  31  14.894  -2.683  14.035
  228   2HN   NH2  31          2HN       NH2  31  16.304  -2.731  15.033
  229   1H    ACE   0          1H        ACE   0 -15.035  -5.762   6.306
  230   2H    ACE   0          2H        ACE   0 -16.426  -6.344   7.220
  231   3H    ACE   0          3H        ACE   0 -15.747  -4.754   7.566
  232    H    GLU   1           H        GLU   1 -17.698  -3.669   7.157
  233    HA   GLU   1           HA       GLU   1 -18.915  -3.925   4.530
  234   1HB   GLU   1          1HB       GLU   1 -20.533  -2.201   5.487
  235   2HB   GLU   1          2HB       GLU   1 -20.519  -3.782   6.254
  236   1HG   GLU   1          1HG       GLU   1 -19.275  -2.957   8.106
  237   2HG   GLU   1          2HG       GLU   1 -18.990  -1.417   7.298
  238    H    VAL   2           H        VAL   2 -19.829  -1.475   3.941
  239    HA   VAL   2           HA       VAL   2 -17.954  -0.254   2.453
  240    HB   VAL   2           HB       VAL   2 -19.308   1.963   3.050
  241   1HG1  VAL   2          1HG1      VAL   2 -19.416  -0.008   1.095
  242   2HG1  VAL   2          2HG1      VAL   2 -21.090   0.200   1.609
  243   3HG1  VAL   2          3HG1      VAL   2 -20.167   1.587   1.033
  244   1HG2  VAL   2          1HG2      VAL   2 -20.416   0.331   4.906
  245   2HG2  VAL   2          2HG2      VAL   2 -21.229   1.728   4.204
  246   3HG2  VAL   2          3HG2      VAL   2 -21.539   0.114   3.564
  247    H    GLN   3           H        GLN   3 -18.936   1.603   5.273
  248    HA   GLN   3           HA       GLN   3 -16.631   3.114   5.455
  249   1HB   GLN   3          1HB       GLN   3 -18.852   3.508   6.616
  250   2HB   GLN   3          2HB       GLN   3 -18.323   2.353   7.832
  251   1HG   GLN   3          1HG       GLN   3 -16.420   3.763   8.371
  252   2HG   GLN   3          2HG       GLN   3 -16.900   4.908   7.119
  253   1HE2  GLN   3          2HE2      GLN   3 -19.288   5.597   7.366
  254   2HE2  GLN   3          1HE2      GLN   3 -19.756   6.069   8.960
  255    H    ALA   4           H        ALA   4 -17.209  -0.120   6.551
  256    HA   ALA   4           HA       ALA   4 -15.031  -0.202   8.416
  257   1HB   ALA   4          1HB       ALA   4 -17.204  -1.768   8.030
  258   2HB   ALA   4          2HB       ALA   4 -15.947  -2.752   7.283
  259   3HB   ALA   4          3HB       ALA   4 -15.786  -2.246   8.964
  260    H    LEU   5           H        LEU   5 -15.366  -0.646   5.002
  261    HA   LEU   5           HA       LEU   5 -12.610  -1.689   4.839
  262   1HB   LEU   5          1HB       LEU   5 -15.048  -2.048   3.178
  263   2HB   LEU   5          2HB       LEU   5 -13.513  -2.007   2.341
  264    HG   LEU   5           HG       LEU   5 -13.870  -3.850   4.671
  265   1HD1  LEU   5          1HD1      LEU   5 -15.796  -4.062   2.999
  266   2HD1  LEU   5          2HD1      LEU   5 -14.580  -4.671   1.875
  267   3HD1  LEU   5          3HD1      LEU   5 -14.883  -5.520   3.391
  268   1HD2  LEU   5          1HD2      LEU   5 -11.720  -3.293   3.190
  269   2HD2  LEU   5          2HD2      LEU   5 -12.021  -4.891   3.872
  270   3HD2  LEU   5          3HD2      LEU   5 -12.426  -4.562   2.188
  271    H    LYS   6           H        LYS   6 -14.906   0.559   3.471
  272    HA   LYS   6           HA       LYS   6 -13.460   1.942   1.620
  273   1HB   LYS   6          1HB       LYS   6 -15.770   2.401   1.912
  274   2HB   LYS   6          2HB       LYS   6 -15.549   2.790   3.608
  275   1HG   LYS   6          1HG       LYS   6 -15.213   4.937   3.148
  276   2HG   LYS   6          2HG       LYS   6 -13.986   4.551   1.941
  277   1HD   LYS   6          1HD       LYS   6 -15.580   5.607   0.652
  278   2HD   LYS   6          2HD       LYS   6 -16.047   3.915   0.468
  279   1HE   LYS   6          1HE       LYS   6 -17.264   5.926   2.357
  280   2HE   LYS   6          2HE       LYS   6 -18.004   5.277   0.894
  281   1HZ   LYS   6          1HZ       LYS   6 -17.737   3.028   2.007
  282   2HZ   LYS   6          2HZ       LYS   6 -17.445   3.880   3.440
  283   3HZ   LYS   6          3HZ       LYS   6 -18.924   4.054   2.639
  284    H    LYS   7           H        LYS   7 -13.519   2.500   5.132
  285    HA   LYS   7           HA       LYS   7 -11.611   4.653   4.959
  286   1HB   LYS   7          1HB       LYS   7 -13.278   3.425   7.040
  287   2HB   LYS   7          2HB       LYS   7 -11.709   3.972   7.614
  288   1HG   LYS   7          1HG       LYS   7 -12.592   5.994   7.808
  289   2HG   LYS   7          2HG       LYS   7 -12.638   6.066   6.045
  290   1HD   LYS   7          1HD       LYS   7 -14.871   4.585   7.218
  291   2HD   LYS   7          2HD       LYS   7 -14.808   6.278   7.711
  292   1HE   LYS   7          1HE       LYS   7 -14.307   6.418   5.017
  293   2HE   LYS   7          2HE       LYS   7 -15.468   5.095   5.122
  294   1HZ   LYS   7          1HZ       LYS   7 -16.644   6.848   6.704
  295   2HZ   LYS   7          2HZ       LYS   7 -15.823   7.930   5.697
  296   3HZ   LYS   7          3HZ       LYS   7 -16.909   6.814   5.034
  297    H    ARG   8           H        ARG   8 -11.307   1.332   4.828
  298    HA   ARG   8           HA       ARG   8  -8.809   1.207   6.297
  299   1HB   ARG   8          1HB       ARG   8  -9.009  -1.072   6.252
  300   2HB   ARG   8          2HB       ARG   8 -10.699  -0.620   6.111
  301   1HG   ARG   8          1HG       ARG   8 -10.777  -1.962   4.345
  302   2HG   ARG   8          2HG       ARG   8  -9.844  -0.739   3.484
  303   1HD   ARG   8          1HD       ARG   8  -8.234  -2.252   3.225
  304   2HD   ARG   8          2HD       ARG   8  -7.973  -2.189   4.968
  305    HE   ARG   8           HE       ARG   8 -10.035  -3.995   3.968
  306   1HH1  ARG   8          1HH1      ARG   8  -6.809  -3.593   5.250
  307   2HH1  ARG   8          2HH1      ARG   8  -6.658  -5.252   5.716
  308   1HH2  ARG   8          1HH2      ARG   8  -9.830  -6.172   4.579
  309   2HH2  ARG   8          2HH2      ARG   8  -8.370  -6.716   5.334
  310    H    VAL   9           H        VAL   9  -9.917   1.569   3.040
  311    HA   VAL   9           HA       VAL   9  -7.786   0.606   1.560
  312    HB   VAL   9           HB       VAL   9  -9.506   3.036   1.032
  313   1HG1  VAL   9          1HG1      VAL   9  -7.398   3.160  -0.236
  314   2HG1  VAL   9          2HG1      VAL   9  -7.709   1.554  -0.894
  315   3HG1  VAL   9          3HG1      VAL   9  -8.784   2.894  -1.290
  316   1HG2  VAL   9          1HG2      VAL   9 -10.524   0.692   1.227
  317   2HG2  VAL   9          2HG2      VAL   9 -10.901   1.637  -0.214
  318   3HG2  VAL   9          3HG2      VAL   9  -9.697   0.350  -0.292
  319    H    GLN  10           H        GLN  10  -8.169   3.818   3.037
  320    HA   GLN  10           HA       GLN  10  -5.850   5.013   2.103
  321   1HB   GLN  10          1HB       GLN  10  -5.978   6.449   4.120
  322   2HB   GLN  10          2HB       GLN  10  -7.522   6.285   3.297
  323   1HG   GLN  10          1HG       GLN  10  -7.995   4.414   4.985
  324   2HG   GLN  10          2HG       GLN  10  -6.642   5.086   5.892
  325   1HE2  GLN  10          2HE2      GLN  10  -6.778   7.480   6.272
  326   2HE2  GLN  10          1HE2      GLN  10  -8.327   8.120   6.688
  327    H    ALA  11           H        ALA  11  -6.229   2.511   4.458
  328    HA   ALA  11           HA       ALA  11  -3.713   2.870   5.760
  329   1HB   ALA  11          1HB       ALA  11  -5.939   1.500   6.394
  330   2HB   ALA  11          2HB       ALA  11  -4.934   0.189   5.781
  331   3HB   ALA  11          3HB       ALA  11  -4.361   1.189   7.115
  332    H    LEU  12           H        LEU  12  -4.717   1.364   2.816
  333    HA   LEU  12           HA       LEU  12  -2.321  -0.271   2.635
  334   1HB   LEU  12          1HB       LEU  12  -4.199   0.111   0.345
  335   2HB   LEU  12          2HB       LEU  12  -3.268  -1.303   0.789
  336    HG   LEU  12           HG       LEU  12  -5.503  -0.412   2.569
  337   1HD1  LEU  12          1HD1      LEU  12  -6.105  -0.660   0.001
  338   2HD1  LEU  12          2HD1      LEU  12  -6.092  -2.372   0.424
  339   3HD1  LEU  12          3HD1      LEU  12  -7.167  -1.263   1.274
  340   1HD2  LEU  12          1HD2      LEU  12  -3.886  -2.844   2.089
  341   2HD2  LEU  12          2HD2      LEU  12  -4.507  -2.171   3.596
  342   3HD2  LEU  12          3HD2      LEU  12  -5.578  -3.078   2.529
  343    H    LYS  13           H        LYS  13  -3.709   2.612   1.155
  344    HA   LYS  13           HA       LYS  13  -1.436   2.940  -0.603
  345   1HB   LYS  13          1HB       LYS  13  -2.604   5.065  -1.268
  346   2HB   LYS  13          2HB       LYS  13  -3.498   3.584  -1.566
  347   1HG   LYS  13          1HG       LYS  13  -5.197   4.653  -0.585
  348   2HG   LYS  13          2HG       LYS  13  -4.373   4.270   0.927
  349   1HD   LYS  13          1HD       LYS  13  -4.330   6.466   1.310
  350   2HD   LYS  13          2HD       LYS  13  -3.094   6.552   0.054
  351   1HE   LYS  13          1HE       LYS  13  -5.396   6.531  -1.416
  352   2HE   LYS  13          2HE       LYS  13  -5.887   7.435   0.016
  353   1HZ   LYS  13          1HZ       LYS  13  -3.534   8.568  -0.531
  354   2HZ   LYS  13          2HZ       LYS  13  -4.043   8.170  -2.094
  355   3HZ   LYS  13          3HZ       LYS  13  -5.013   9.148  -1.111
  356    H    ALA  14           H        ALA  14  -2.369   3.976   2.543
  357    HA   ALA  14           HA       ALA  14  -1.074   6.419   2.779
  358   1HB   ALA  14          1HB       ALA  14  -1.699   4.229   4.706
  359   2HB   ALA  14          2HB       ALA  14  -0.662   5.558   5.223
  360   3HB   ALA  14          3HB       ALA  14  -2.297   5.887   4.652
  361    H    ARG  15           H        ARG  15   0.234   3.152   3.185
  362    HA   ARG  15           HA       ARG  15   2.931   4.199   3.488
  363   1HB   ARG  15          1HB       ARG  15   1.569   1.730   4.129
  364   2HB   ARG  15          2HB       ARG  15   3.028   1.398   3.206
  365   1HG   ARG  15          1HG       ARG  15   3.625   3.343   5.197
  366   2HG   ARG  15          2HG       ARG  15   2.787   1.985   5.949
  367   1HD   ARG  15          1HD       ARG  15   5.074   1.572   4.061
  368   2HD   ARG  15          2HD       ARG  15   5.344   1.889   5.771
  369    HE   ARG  15           HE       ARG  15   3.489  -0.222   5.431
  370   1HH1  ARG  15          1HH1      ARG  15   6.895   0.501   5.191
  371   2HH1  ARG  15          2HH1      ARG  15   7.391  -1.124   5.526
  372   1HH2  ARG  15          1HH2      ARG  15   4.140  -2.360   5.875
  373   2HH2  ARG  15          2HH2      ARG  15   5.828  -2.748   5.913
  374    H    ASN  16           H        ASN  16   1.222   1.950   1.333
  375    HA   ASN  16           HA       ASN  16   3.032   1.353  -0.559
  376   1HB   ASN  16          1HB       ASN  16   0.692   0.623  -0.628
  377   2HB   ASN  16          2HB       ASN  16   0.195   2.239  -1.104
  378   1HD2  ASN  16          2HD2      ASN  16  -0.559   1.949  -3.092
  379   2HD2  ASN  16          1HD2      ASN  16   0.333   1.269  -4.407
  380    H    TYR  17           H        TYR  17   1.517   4.499  -0.138
  381    HA   TYR  17           HA       TYR  17   2.373   5.593  -2.602
  382   1HB   TYR  17          1HB       TYR  17   0.622   6.756  -1.541
  383   2HB   TYR  17          2HB       TYR  17   1.473   6.811   0.000
  384    HD1  TYR  17           HD1      TYR  17   1.701   8.083  -3.499
  385    HD2  TYR  17           HD2      TYR  17   2.639   8.734   0.599
  386    HE1  TYR  17           HE1      TYR  17   2.566  10.316  -4.057
  387    HE2  TYR  17           HE2      TYR  17   3.503  10.970   0.053
  388    HH   TYR  17           HH       TYR  17   3.018  12.429  -3.022
  389    H    ALA  18           H        ALA  18   3.559   6.390   0.663
  390    HA   ALA  18           HA       ALA  18   5.849   7.741  -0.089
  391   1HB   ALA  18          1HB       ALA  18   4.932   7.741   2.185
  392   2HB   ALA  18          2HB       ALA  18   5.475   6.077   2.398
  393   3HB   ALA  18          3HB       ALA  18   6.655   7.367   2.172
  394    H    LEU  19           H        LEU  19   5.657   4.302   0.877
  395    HA   LEU  19           HA       LEU  19   8.296   3.621   0.563
  396   1HB   LEU  19          1HB       LEU  19   6.169   1.762  -0.436
  397   2HB   LEU  19          2HB       LEU  19   7.667   1.375   0.384
  398    HG   LEU  19           HG       LEU  19   5.357   2.762   1.706
  399   1HD1  LEU  19          1HD1      LEU  19   5.660   0.003   1.021
  400   2HD1  LEU  19          2HD1      LEU  19   5.681   0.198   2.775
  401   3HD1  LEU  19          3HD1      LEU  19   4.322   0.814   1.835
  402   1HD2  LEU  19          1HD2      LEU  19   7.932   2.761   2.478
  403   2HD2  LEU  19          2HD2      LEU  19   6.573   2.812   3.602
  404   3HD2  LEU  19          3HD2      LEU  19   7.371   1.279   3.250
  405    H    LYS  20           H        LYS  20   5.782   3.536  -1.947
  406    HA   LYS  20           HA       LYS  20   7.112   2.596  -4.092
  407   1HB   LYS  20          1HB       LYS  20   4.743   3.744  -3.832
  408   2HB   LYS  20          2HB       LYS  20   5.584   5.119  -4.523
  409   1HG   LYS  20          1HG       LYS  20   5.048   4.246  -6.498
  410   2HG   LYS  20          2HG       LYS  20   6.331   3.075  -6.186
  411   1HD   LYS  20          1HD       LYS  20   4.870   1.399  -5.701
  412   2HD   LYS  20          2HD       LYS  20   3.669   2.499  -5.024
  413   1HE   LYS  20          1HE       LYS  20   3.176   1.298  -7.265
  414   2HE   LYS  20          2HE       LYS  20   2.769   3.004  -7.089
  415   1HZ   LYS  20          1HZ       LYS  20   5.372   2.183  -8.211
  416   2HZ   LYS  20          2HZ       LYS  20   3.994   2.248  -9.190
  417   3HZ   LYS  20          3HZ       LYS  20   4.544   3.644  -8.410
  418    H    GLN  21           H        GLN  21   7.566   5.703  -2.590
  419    HA   GLN  21           HA       GLN  21   9.325   6.656  -4.679
  420   1HB   GLN  21          1HB       GLN  21   7.809   8.226  -3.614
  421   2HB   GLN  21          2HB       GLN  21   8.511   7.879  -2.040
  422   1HG   GLN  21          1HG       GLN  21  10.723   8.663  -3.246
  423   2HG   GLN  21          2HG       GLN  21   9.576   9.503  -4.287
  424   1HE2  GLN  21          2HE2      GLN  21   8.253  11.113  -3.397
  425   2HE2  GLN  21          1HE2      GLN  21   8.643  11.880  -1.899
  426    H    LYS  22           H        LYS  22   9.613   5.580  -1.307
  427    HA   LYS  22           HA       LYS  22  12.487   5.999  -1.371
  428   1HB   LYS  22          1HB       LYS  22  12.448   5.364   0.979
  429   2HB   LYS  22          2HB       LYS  22  11.250   6.605   0.641
  430   1HG   LYS  22          1HG       LYS  22   9.612   5.322   1.396
  431   2HG   LYS  22          2HG       LYS  22  10.096   3.996   0.339
  432   1HD   LYS  22          1HD       LYS  22  10.121   3.394   2.745
  433   2HD   LYS  22          2HD       LYS  22  11.690   3.210   1.961
  434   1HE   LYS  22          1HE       LYS  22  11.578   4.329   4.285
  435   2HE   LYS  22          2HE       LYS  22  12.589   5.055   3.037
  436   1HZ   LYS  22          1HZ       LYS  22   9.801   5.943   3.411
  437   2HZ   LYS  22          2HZ       LYS  22  11.035   6.555   4.396
  438   3HZ   LYS  22          3HZ       LYS  22  11.100   6.778   2.720
  439    H    VAL  23           H        VAL  23  10.511   3.470  -2.353
  440    HA   VAL  23           HA       VAL  23  11.629   1.175  -1.322
  441    HB   VAL  23           HB       VAL  23  10.867   1.574  -4.223
  442   1HG1  VAL  23          1HG1      VAL  23  11.676  -0.784  -2.624
  443   2HG1  VAL  23          2HG1      VAL  23  10.322  -1.000  -3.733
  444   3HG1  VAL  23          3HG1      VAL  23  11.885  -0.455  -4.344
  445   1HG2  VAL  23          1HG2      VAL  23   9.293   1.321  -1.772
  446   2HG2  VAL  23          2HG2      VAL  23   8.822   1.901  -3.370
  447   3HG2  VAL  23          3HG2      VAL  23   8.842   0.171  -3.031
  448    H    GLN  24           H        GLN  24  12.778   2.976  -4.174
  449    HA   GLN  24           HA       GLN  24  15.098   1.372  -4.527
  450   1HB   GLN  24          1HB       GLN  24  15.834   3.296  -6.003
  451   2HB   GLN  24          2HB       GLN  24  14.305   2.540  -6.433
  452   1HG   GLN  24          1HG       GLN  24  13.068   4.361  -5.815
  453   2HG   GLN  24          2HG       GLN  24  14.269   4.919  -4.650
  454   1HE2  GLN  24          2HE2      GLN  24  15.932   6.217  -5.322
  455   2HE2  GLN  24          1HE2      GLN  24  16.002   6.928  -6.895
  456    H    ALA  25           H        ALA  25  14.354   4.200  -2.635
  457    HA   ALA  25           HA       ALA  25  16.996   5.074  -2.145
  458   1HB   ALA  25          1HB       ALA  25  14.995   6.456  -1.740
  459   2HB   ALA  25          2HB       ALA  25  14.571   5.412  -0.383
  460   3HB   ALA  25          3HB       ALA  25  16.052   6.368  -0.331
  461    H    LEU  26           H        LEU  26  14.966   2.634  -0.664
  462    HA   LEU  26           HA       LEU  26  16.530   2.233   1.666
  463   1HB   LEU  26          1HB       LEU  26  14.576   0.451   0.218
  464   2HB   LEU  26          2HB       LEU  26  15.337   0.004   1.733
  465    HG   LEU  26           HG       LEU  26  13.345   2.202   1.231
  466   1HD1  LEU  26          1HD1      LEU  26  13.361  -0.432   2.523
  467   2HD1  LEU  26          2HD1      LEU  26  12.568   0.846   3.445
  468   3HD1  LEU  26          3HD1      LEU  26  12.032   0.477   1.806
  469   1HD2  LEU  26          1HD2      LEU  26  15.418   2.004   3.323
  470   2HD2  LEU  26          2HD2      LEU  26  14.577   3.416   2.684
  471   3HD2  LEU  26          3HD2      LEU  26  13.787   2.384   3.875
  472    H    ARG  27           H        ARG  27  16.296   0.352  -1.351
  473    HA   ARG  27           HA       ARG  27  18.406  -1.406  -0.723
  474   1HB   ARG  27          1HB       ARG  27  18.409  -1.873  -3.204
  475   2HB   ARG  27          2HB       ARG  27  16.868  -2.093  -2.387
  476   1HG   ARG  27          1HG       ARG  27  16.735   0.514  -3.216
  477   2HG   ARG  27          2HG       ARG  27  17.614  -0.267  -4.529
  478   1HD   ARG  27          1HD       ARG  27  15.668  -2.081  -4.123
  479   2HD   ARG  27          2HD       ARG  27  14.820  -0.613  -3.640
  480    HE   ARG  27           HE       ARG  27  16.078  -0.096  -6.069
  481   1HH1  ARG  27          1HH1      ARG  27  13.551  -2.156  -4.825
  482   2HH1  ARG  27          2HH1      ARG  27  12.687  -2.212  -6.324
  483   1HH2  ARG  27          1HH2      ARG  27  14.941  -0.167  -8.041
  484   2HH2  ARG  27          2HH2      ARG  27  13.475  -1.083  -8.150
  485    H    HIS  28           H        HIS  28  18.390   1.813  -2.036
  486    HA   HIS  28           HA       HIS  28  21.163   1.616  -2.904
  487   1HB   HIS  28          1HB       HIS  28  18.965   3.565  -3.268
  488   2HB   HIS  28          2HB       HIS  28  20.590   4.236  -3.202
  489    HD1  HIS  28           HD1      HIS  28  20.607   4.857  -5.717
  490    HD2  HIS  28           HD2      HIS  28  19.981   0.819  -4.964
  491    HE1  HIS  28           HE1      HIS  28  20.860   3.672  -7.937
  492    H    LYS  29           H        LYS  29  20.078   1.614   0.024
  493    HA   LYS  29           HA       LYS  29  21.283   3.960   1.167
  494   1HB   LYS  29          1HB       LYS  29  19.352   2.345   2.057
  495   2HB   LYS  29          2HB       LYS  29  20.720   1.563   2.838
  496   1HG   LYS  29          1HG       LYS  29  20.201   4.509   3.086
  497   2HG   LYS  29          2HG       LYS  29  19.480   3.321   4.175
  498   1HD   LYS  29          1HD       LYS  29  21.609   2.624   4.962
  499   2HD   LYS  29          2HD       LYS  29  22.445   3.508   3.684
  500   1HE   LYS  29          1HE       LYS  29  21.071   5.518   4.848
  501   2HE   LYS  29          2HE       LYS  29  21.327   4.465   6.239
  502   1HZ   LYS  29          1HZ       LYS  29  23.508   5.345   4.431
  503   2HZ   LYS  29          2HZ       LYS  29  23.100   6.150   5.862
  504   3HZ   LYS  29          3HZ       LYS  29  23.664   4.556   5.919
  505    H    GLY  30           H        GLY  30  21.996   0.504   1.718
  506   1HA   GLY  30          1HA       GLY  30  24.561   0.972   2.784
  507   2HA   GLY  30          2HA       GLY  30  23.973  -0.569   2.176
  508   1HN   NH2  31          1HN       NH2  31  26.409  -0.486   1.655
  509   2HN   NH2  31          2HN       NH2  31  26.811   0.065   0.068
  Start of MODEL   16
    1   1H    ACE   0          1H        ACE   0 -22.032   6.450  -5.487
    2   2H    ACE   0          2H        ACE   0 -20.301   6.613  -5.196
    3   3H    ACE   0          3H        ACE   0 -21.370   6.094  -3.892
    4    H    GLU   1           H        GLU   1 -19.273   5.062  -6.295
    5    HA   GLU   1           HA       GLU   1 -20.474   2.544  -6.925
    6   1HB   GLU   1          1HB       GLU   1 -17.617   3.480  -7.240
    7   2HB   GLU   1          2HB       GLU   1 -18.290   2.017  -7.944
    8   1HG   GLU   1          1HG       GLU   1 -19.277   3.124  -9.619
    9   2HG   GLU   1          2HG       GLU   1 -19.773   4.459  -8.580
   10    H    VAL   2           H        VAL   2 -20.522   0.778  -5.710
   11    HA   VAL   2           HA       VAL   2 -18.998   0.672  -3.248
   12    HB   VAL   2           HB       VAL   2 -20.929  -1.375  -4.347
   13   1HG1  VAL   2          1HG1      VAL   2 -19.390  -2.194  -2.606
   14   2HG1  VAL   2          2HG1      VAL   2 -19.953  -0.914  -1.531
   15   3HG1  VAL   2          3HG1      VAL   2 -21.068  -2.171  -2.066
   16   1HG2  VAL   2          1HG2      VAL   2 -22.025   0.791  -4.099
   17   2HG2  VAL   2          2HG2      VAL   2 -22.597  -0.347  -2.880
   18   3HG2  VAL   2          3HG2      VAL   2 -21.439   0.908  -2.440
   19    H    ALA   3           H        ALA   3 -19.472  -1.544  -6.012
   20    HA   ALA   3           HA       ALA   3 -17.502  -3.384  -5.365
   21   1HB   ALA   3          1HB       ALA   3 -18.897  -2.602  -7.852
   22   2HB   ALA   3          2HB       ALA   3 -17.408  -3.531  -8.034
   23   3HB   ALA   3          3HB       ALA   3 -18.744  -4.182  -7.083
   24    H    GLN   4           H        GLN   4 -17.227  -0.271  -6.952
   25    HA   GLN   4           HA       GLN   4 -14.628  -0.516  -7.962
   26   1HB   GLN   4          1HB       GLN   4 -16.430   1.738  -7.261
   27   2HB   GLN   4          2HB       GLN   4 -14.720   2.110  -7.433
   28   1HG   GLN   4          1HG       GLN   4 -15.724   2.511  -9.530
   29   2HG   GLN   4          2HG       GLN   4 -14.806   1.015  -9.685
   30   1HE2  GLN   4          2HE2      GLN   4 -16.578   1.378 -11.568
   31   2HE2  GLN   4          1HE2      GLN   4 -17.991   0.408 -11.341
   32    H    LEU   5           H        LEU   5 -15.802   0.517  -4.790
   33    HA   LEU   5           HA       LEU   5 -13.176   1.114  -3.799
   34   1HB   LEU   5          1HB       LEU   5 -15.895   0.905  -2.543
   35   2HB   LEU   5          2HB       LEU   5 -14.457   1.088  -1.556
   36    HG   LEU   5           HG       LEU   5 -15.219   3.029  -3.734
   37   1HD1  LEU   5          1HD1      LEU   5 -15.990   2.918  -0.846
   38   2HD1  LEU   5          2HD1      LEU   5 -15.809   4.466  -1.671
   39   3HD1  LEU   5          3HD1      LEU   5 -16.983   3.287  -2.257
   40   1HD2  LEU   5          1HD2      LEU   5 -12.830   2.904  -2.988
   41   2HD2  LEU   5          2HD2      LEU   5 -13.603   4.470  -2.744
   42   3HD2  LEU   5          3HD2      LEU   5 -13.375   3.377  -1.379
   43    H    GLU   6           H        GLU   6 -15.349  -1.633  -3.747
   44    HA   GLU   6           HA       GLU   6 -14.132  -3.158  -1.744
   45   1HB   GLU   6          1HB       GLU   6 -15.684  -3.910  -4.212
   46   2HB   GLU   6          2HB       GLU   6 -15.061  -5.130  -3.110
   47   1HG   GLU   6          1HG       GLU   6 -16.421  -4.381  -1.347
   48   2HG   GLU   6          2HG       GLU   6 -16.814  -2.879  -2.182
   49    H    LYS   7           H        LYS   7 -13.299  -2.663  -5.109
   50    HA   LYS   7           HA       LYS   7 -11.273  -4.717  -5.128
   51   1HB   LYS   7          1HB       LYS   7 -11.363  -2.539  -7.173
   52   2HB   LYS   7          2HB       LYS   7 -10.986  -4.244  -7.376
   53   1HG   LYS   7          1HG       LYS   7 -13.632  -4.230  -6.548
   54   2HG   LYS   7          2HG       LYS   7 -13.510  -2.856  -7.648
   55   1HD   LYS   7          1HD       LYS   7 -12.677  -5.694  -8.248
   56   2HD   LYS   7          2HD       LYS   7 -14.129  -4.887  -8.847
   57   1HE   LYS   7          1HE       LYS   7 -11.330  -3.906  -9.375
   58   2HE   LYS   7          2HE       LYS   7 -12.209  -4.978 -10.465
   59   1HZ   LYS   7          1HZ       LYS   7 -13.989  -3.021 -10.110
   60   2HZ   LYS   7          2HZ       LYS   7 -12.550  -2.141  -9.986
   61   3HZ   LYS   7          3HZ       LYS   7 -12.867  -3.051 -11.375
   62    H    GLU   8           H        GLU   8 -11.471  -1.317  -4.452
   63    HA   GLU   8           HA       GLU   8  -8.832  -0.525  -4.813
   64   1HB   GLU   8          1HB       GLU   8 -10.783   0.952  -4.241
   65   2HB   GLU   8          2HB       GLU   8 -10.649   0.391  -2.581
   66   1HG   GLU   8          1HG       GLU   8  -8.349   1.279  -2.503
   67   2HG   GLU   8          2HG       GLU   8  -8.569   1.912  -4.135
   68    H    VAL   9           H        VAL   9 -10.278  -2.485  -2.332
   69    HA   VAL   9           HA       VAL   9  -8.098  -2.279  -0.481
   70    HB   VAL   9           HB       VAL   9 -10.344  -4.297  -0.653
   71   1HG1  VAL   9          1HG1      VAL   9  -8.065  -4.000   1.235
   72   2HG1  VAL   9          2HG1      VAL   9  -9.633  -4.473   1.887
   73   3HG1  VAL   9          3HG1      VAL   9  -8.862  -5.458   0.644
   74   1HG2  VAL   9          1HG2      VAL   9 -10.973  -1.912  -0.232
   75   2HG2  VAL   9          2HG2      VAL   9 -11.415  -3.025   1.062
   76   3HG2  VAL   9          3HG2      VAL   9 -10.008  -1.979   1.242
   77    H    ALA  10           H        ALA  10  -9.265  -4.896  -2.611
   78    HA   ALA  10           HA       ALA  10  -7.150  -6.664  -2.193
   79   1HB   ALA  10          1HB       ALA  10  -9.444  -6.759  -3.622
   80   2HB   ALA  10          2HB       ALA  10  -8.256  -6.625  -4.919
   81   3HB   ALA  10          3HB       ALA  10  -8.146  -7.946  -3.755
   82    H    GLN  11           H        GLN  11  -7.354  -3.779  -4.106
   83    HA   GLN  11           HA       GLN  11  -5.185  -4.246  -5.848
   84   1HB   GLN  11          1HB       GLN  11  -6.815  -2.488  -6.276
   85   2HB   GLN  11          2HB       GLN  11  -6.339  -1.653  -4.805
   86   1HG   GLN  11          1HG       GLN  11  -3.971  -1.910  -6.188
   87   2HG   GLN  11          2HG       GLN  11  -5.157  -1.591  -7.452
   88   1HE2  GLN  11          2HE2      GLN  11  -5.698   0.444  -7.813
   89   2HE2  GLN  11          1HE2      GLN  11  -5.383   1.776  -6.760
   90    H    LEU  12           H        LEU  12  -5.340  -2.274  -2.866
   91    HA   LEU  12           HA       LEU  12  -2.525  -1.909  -2.736
   92   1HB   LEU  12          1HB       LEU  12  -4.570  -1.662  -0.531
   93   2HB   LEU  12          2HB       LEU  12  -2.932  -1.039  -0.487
   94    HG   LEU  12           HG       LEU  12  -4.972  -0.127  -2.509
   95   1HD1  LEU  12          1HD1      LEU  12  -5.766   0.345  -0.239
   96   2HD1  LEU  12          2HD1      LEU  12  -4.244   1.156   0.119
   97   3HD1  LEU  12          3HD1      LEU  12  -5.329   1.819  -1.104
   98   1HD2  LEU  12          1HD2      LEU  12  -2.621   0.240  -3.094
   99   2HD2  LEU  12          2HD2      LEU  12  -3.457   1.760  -2.775
  100   3HD2  LEU  12          3HD2      LEU  12  -2.373   1.077  -1.562
  101    H    GLU  13           H        GLU  13  -4.724  -4.320  -1.483
  102    HA   GLU  13           HA       GLU  13  -3.093  -5.468   0.472
  103   1HB   GLU  13          1HB       GLU  13  -5.350  -6.460  -1.217
  104   2HB   GLU  13          2HB       GLU  13  -4.422  -7.625  -0.282
  105   1HG   GLU  13          1HG       GLU  13  -4.947  -6.457   1.765
  106   2HG   GLU  13          2HG       GLU  13  -5.791  -5.200   0.862
  107    H    ALA  14           H        ALA  14  -3.002  -5.674  -2.995
  108    HA   ALA  14           HA       ALA  14  -1.112  -7.887  -2.967
  109   1HB   ALA  14          1HB       ALA  14  -2.564  -6.395  -5.113
  110   2HB   ALA  14          2HB       ALA  14  -1.150  -7.371  -5.512
  111   3HB   ALA  14          3HB       ALA  14  -2.556  -8.122  -4.759
  112    H    GLU  15           H        GLU  15  -1.208  -4.428  -3.656
  113    HA   GLU  15           HA       GLU  15   1.552  -4.296  -4.444
  114   1HB   GLU  15          1HB       GLU  15  -0.412  -2.712  -5.091
  115   2HB   GLU  15          2HB       GLU  15  -0.056  -1.921  -3.561
  116   1HG   GLU  15          1HG       GLU  15   1.911  -1.066  -4.298
  117   2HG   GLU  15          2HG       GLU  15   2.217  -2.415  -5.392
  118    H    ASN  16           H        ASN  16  -0.260  -3.013  -1.647
  119    HA   ASN  16           HA       ASN  16   1.849  -2.078  -0.144
  120   1HB   ASN  16          1HB       ASN  16  -0.526  -1.751   0.434
  121   2HB   ASN  16          2HB       ASN  16  -0.649  -3.450   0.875
  122   1HD2  ASN  16          2HD2      ASN  16  -1.390  -2.494   2.905
  123   2HD2  ASN  16          1HD2      ASN  16  -0.212  -2.060   4.092
  124    H    TYR  17           H        TYR  17   0.763  -5.372  -0.594
  125    HA   TYR  17           HA       TYR  17   2.478  -6.429   1.477
  126   1HB   TYR  17          1HB       TYR  17   0.420  -7.591   1.141
  127   2HB   TYR  17          2HB       TYR  17   0.698  -7.718  -0.592
  128    HD1  TYR  17           HD1      TYR  17   1.859  -8.935   2.710
  129    HD2  TYR  17           HD2      TYR  17   1.892  -9.543  -1.501
  130    HE1  TYR  17           HE1      TYR  17   2.886 -11.144   3.042
  131    HE2  TYR  17           HE2      TYR  17   2.919 -11.755  -1.180
  132    HH   TYR  17           HH       TYR  17   4.203 -12.969   0.457
  133    H    GLN  18           H        GLN  18   2.603  -5.908  -1.964
  134    HA   GLN  18           HA       GLN  18   4.798  -7.673  -2.454
  135   1HB   GLN  18          1HB       GLN  18   3.141  -6.924  -4.187
  136   2HB   GLN  18          2HB       GLN  18   3.893  -5.337  -4.141
  137   1HG   GLN  18          1HG       GLN  18   6.076  -6.707  -4.626
  138   2HG   GLN  18          2HG       GLN  18   4.930  -7.899  -5.236
  139   1HE2  GLN  18          2HE2      GLN  18   6.665  -5.105  -5.922
  140   2HE2  GLN  18          1HE2      GLN  18   5.908  -4.695  -7.420
  141    H    LEU  19           H        LEU  19   4.474  -4.383  -1.391
  142    HA   LEU  19           HA       LEU  19   7.306  -3.848  -1.854
  143   1HB   LEU  19          1HB       LEU  19   5.082  -2.082  -0.846
  144   2HB   LEU  19          2HB       LEU  19   6.744  -1.561  -1.046
  145    HG   LEU  19           HG       LEU  19   5.120  -2.635  -3.342
  146   1HD1  LEU  19          1HD1      LEU  19   4.350  -0.430  -2.003
  147   2HD1  LEU  19          2HD1      LEU  19   5.521   0.271  -3.118
  148   3HD1  LEU  19          3HD1      LEU  19   4.149  -0.644  -3.741
  149   1HD2  LEU  19          1HD2      LEU  19   7.772  -2.249  -3.165
  150   2HD2  LEU  19          2HD2      LEU  19   6.856  -2.048  -4.658
  151   3HD2  LEU  19          3HD2      LEU  19   7.265  -0.640  -3.679
  152    H    GLU  20           H        GLU  20   4.974  -3.762   0.843
  153    HA   GLU  20           HA       GLU  20   6.663  -3.173   2.921
  154   1HB   GLU  20          1HB       GLU  20   4.149  -3.555   2.987
  155   2HB   GLU  20          2HB       GLU  20   4.506  -5.270   3.135
  156   1HG   GLU  20          1HG       GLU  20   5.942  -3.571   5.035
  157   2HG   GLU  20          2HG       GLU  20   4.189  -3.549   5.212
  158    H    GLN  21           H        GLN  21   6.418  -6.149   1.138
  159    HA   GLN  21           HA       GLN  21   8.059  -7.613   3.034
  160   1HB   GLN  21          1HB       GLN  21   6.213  -8.304   0.985
  161   2HB   GLN  21          2HB       GLN  21   7.765  -9.009   0.557
  162   1HG   GLN  21          1HG       GLN  21   7.734  -9.774   3.073
  163   2HG   GLN  21          2HG       GLN  21   5.994  -9.572   2.875
  164   1HE2  GLN  21          2HE2      GLN  21   5.293 -11.613   2.820
  165   2HE2  GLN  21          1HE2      GLN  21   5.812 -12.810   1.687
  166    H    GLU  22           H        GLU  22   8.403  -5.883   0.032
  167    HA   GLU  22           HA       GLU  22  11.046  -6.943  -0.497
  168   1HB   GLU  22          1HB       GLU  22   9.054  -5.630  -2.012
  169   2HB   GLU  22          2HB       GLU  22  10.457  -4.570  -2.012
  170   1HG   GLU  22          1HG       GLU  22  11.338  -5.808  -3.614
  171   2HG   GLU  22          2HG       GLU  22  11.442  -7.151  -2.477
  172    H    VAL  23           H        VAL  23   9.603  -3.990   0.757
  173    HA   VAL  23           HA       VAL  23  11.945  -2.430   0.864
  174    HB   VAL  23           HB       VAL  23   9.682  -2.197   2.837
  175   1HG1  VAL  23          1HG1      VAL  23  12.003  -0.671   2.274
  176   2HG1  VAL  23          2HG1      VAL  23  10.599   0.280   1.789
  177   3HG1  VAL  23          3HG1      VAL  23  10.723  -0.333   3.437
  178   1HG2  VAL  23          1HG2      VAL  23   9.469  -2.106  -0.007
  179   2HG2  VAL  23          2HG2      VAL  23   8.222  -1.816   1.206
  180   3HG2  VAL  23          3HG2      VAL  23   9.223  -0.482   0.634
  181    H    ALA  24           H        ALA  24  10.629  -4.881   2.973
  182    HA   ALA  24           HA       ALA  24  12.218  -4.319   5.250
  183   1HB   ALA  24          1HB       ALA  24  10.186  -5.662   5.383
  184   2HB   ALA  24          2HB       ALA  24  10.944  -6.919   4.405
  185   3HB   ALA  24          3HB       ALA  24  11.574  -6.550   6.010
  186    H    GLN  25           H        GLN  25  13.021  -5.579   2.212
  187    HA   GLN  25           HA       GLN  25  15.487  -6.771   3.292
  188   1HB   GLN  25          1HB       GLN  25  14.312  -7.382   0.587
  189   2HB   GLN  25          2HB       GLN  25  15.561  -8.268   1.451
  190   1HG   GLN  25          1HG       GLN  25  13.219  -8.192   3.066
  191   2HG   GLN  25          2HG       GLN  25  12.772  -8.709   1.442
  192   1HE2  GLN  25          2HE2      GLN  25  13.243  -9.991   4.232
  193   2HE2  GLN  25          1HE2      GLN  25  14.126 -11.425   3.846
  194    H    LEU  26           H        LEU  26  14.322  -4.075   1.774
  195    HA   LEU  26           HA       LEU  26  16.652  -3.715   0.047
  196   1HB   LEU  26          1HB       LEU  26  14.082  -2.185   0.371
  197   2HB   LEU  26          2HB       LEU  26  15.419  -1.583  -0.590
  198    HG   LEU  26           HG       LEU  26  14.137  -4.255  -1.117
  199   1HD1  LEU  26          1HD1      LEU  26  12.725  -1.973  -1.284
  200   2HD1  LEU  26          2HD1      LEU  26  13.493  -1.979  -2.872
  201   3HD1  LEU  26          3HD1      LEU  26  12.499  -3.345  -2.368
  202   1HD2  LEU  26          1HD2      LEU  26  16.484  -3.322  -2.007
  203   2HD2  LEU  26          2HD2      LEU  26  15.435  -4.364  -2.967
  204   3HD2  LEU  26          3HD2      LEU  26  15.413  -2.619  -3.219
  205    H    GLU  27           H        GLU  27  14.935  -1.920   2.614
  206    HA   GLU  27           HA       GLU  27  17.254  -0.207   2.977
  207   1HB   GLU  27          1HB       GLU  27  15.776   0.921   4.683
  208   2HB   GLU  27          2HB       GLU  27  15.191   0.952   3.027
  209   1HG   GLU  27          1HG       GLU  27  13.306  -0.037   3.616
  210   2HG   GLU  27          2HG       GLU  27  14.185  -1.372   4.359
  211    H    HIS  28           H        HIS  28  15.540  -2.747   4.733
  212    HA   HIS  28           HA       HIS  28  17.117  -2.394   7.108
  213   1HB   HIS  28          1HB       HIS  28  14.822  -3.240   7.245
  214   2HB   HIS  28          2HB       HIS  28  15.279  -4.661   6.316
  215    HD1  HIS  28           HD1      HIS  28  15.226  -3.316   9.751
  216    HD2  HIS  28           HD2      HIS  28  17.017  -6.457   7.707
  217    HE1  HIS  28           HE1      HIS  28  16.076  -4.918  11.514
  218    H    GLU  29           H        GLU  29  16.755  -5.617   5.734
  219    HA   GLU  29           HA       GLU  29  19.627  -5.985   5.999
  220   1HB   GLU  29          1HB       GLU  29  19.068  -8.393   5.514
  221   2HB   GLU  29          2HB       GLU  29  18.336  -7.735   6.970
  222   1HG   GLU  29          1HG       GLU  29  16.568  -7.332   4.772
  223   2HG   GLU  29          2HG       GLU  29  17.079  -9.017   4.802
  224    H    GLY  30           H        GLY  30  20.622  -7.480   4.244
  225   1HA   GLY  30          1HA       GLY  30  19.677  -7.458   1.608
  226   2HA   GLY  30          2HA       GLY  30  20.672  -6.027   1.831
  227   1HN   NH2  31          1HN       NH2  31  20.744  -9.528   2.397
  228   2HN   NH2  31          2HN       NH2  31  22.410  -9.735   1.987
  229   1H    ACE   0          1H        ACE   0 -18.191  -2.508   4.318
  230   2H    ACE   0          2H        ACE   0 -19.003  -3.842   3.497
  231   3H    ACE   0          3H        ACE   0 -19.923  -2.757   4.538
  232    H    GLU   1           H        GLU   1 -20.331  -0.606   3.822
  233    HA   GLU   1           HA       GLU   1 -20.581  -0.407   0.950
  234   1HB   GLU   1          1HB       GLU   1 -21.734   1.799   1.565
  235   2HB   GLU   1          2HB       GLU   1 -22.513   0.310   2.081
  236   1HG   GLU   1          1HG       GLU   1 -21.803   0.611   4.318
  237   2HG   GLU   1          2HG       GLU   1 -20.705   1.914   3.863
  238    H    VAL   2           H        VAL   2 -20.414   2.232   0.411
  239    HA   VAL   2           HA       VAL   2 -17.964   2.778  -0.427
  240    HB   VAL   2           HB       VAL   2 -18.502   5.294   0.324
  241   1HG1  VAL   2          1HG1      VAL   2 -19.702   3.632  -1.864
  242   2HG1  VAL   2          2HG1      VAL   2 -20.013   5.364  -1.740
  243   3HG1  VAL   2          3HG1      VAL   2 -18.363   4.777  -1.948
  244   1HG2  VAL   2          1HG2      VAL   2 -20.527   4.094   1.614
  245   2HG2  VAL   2          2HG2      VAL   2 -20.632   5.728   0.960
  246   3HG2  VAL   2          3HG2      VAL   2 -21.296   4.371   0.051
  247    H    GLN   3           H        GLN   3 -18.804   4.590   2.468
  248    HA   GLN   3           HA       GLN   3 -16.164   4.977   3.280
  249   1HB   GLN   3          1HB       GLN   3 -17.040   5.892   5.296
  250   2HB   GLN   3          2HB       GLN   3 -18.166   6.311   4.012
  251   1HG   GLN   3          1HG       GLN   3 -19.539   4.326   4.723
  252   2HG   GLN   3          2HG       GLN   3 -18.487   4.209   6.133
  253   1HE2  GLN   3          2HE2      GLN   3 -18.425   6.009   7.592
  254   2HE2  GLN   3          1HE2      GLN   3 -19.800   7.043   7.749
  255    H    ALA   4           H        ALA   4 -18.569   2.620   4.381
  256    HA   ALA   4           HA       ALA   4 -17.236   1.402   6.441
  257   1HB   ALA   4          1HB       ALA   4 -19.525   0.878   5.055
  258   2HB   ALA   4          2HB       ALA   4 -18.535  -0.531   4.675
  259   3HB   ALA   4          3HB       ALA   4 -18.872  -0.116   6.356
  260    H    LEU   5           H        LEU   5 -16.487   1.207   3.046
  261    HA   LEU   5           HA       LEU   5 -14.405  -0.802   3.638
  262   1HB   LEU   5          1HB       LEU   5 -16.096  -0.259   1.257
  263   2HB   LEU   5          2HB       LEU   5 -14.460  -0.799   0.965
  264    HG   LEU   5           HG       LEU   5 -16.378  -2.312   2.727
  265   1HD1  LEU   5          1HD1      LEU   5 -17.146  -1.985   0.311
  266   2HD1  LEU   5          2HD1      LEU   5 -15.770  -2.998  -0.129
  267   3HD1  LEU   5          3HD1      LEU   5 -17.038  -3.638   0.917
  268   1HD2  LEU   5          1HD2      LEU   5 -13.819  -3.085   1.332
  269   2HD2  LEU   5          2HD2      LEU   5 -14.029  -2.819   3.062
  270   3HD2  LEU   5          3HD2      LEU   5 -14.843  -4.170   2.274
  271    H    LYS   6           H        LYS   6 -15.158   2.089   1.814
  272    HA   LYS   6           HA       LYS   6 -12.740   2.798   0.748
  273   1HB   LYS   6          1HB       LYS   6 -14.721   4.031   0.229
  274   2HB   LYS   6          2HB       LYS   6 -14.975   4.441   1.915
  275   1HG   LYS   6          1HG       LYS   6 -13.738   6.279   1.741
  276   2HG   LYS   6          2HG       LYS   6 -12.415   5.401   0.970
  277   1HD   LYS   6          1HD       LYS   6 -12.970   6.779  -0.756
  278   2HD   LYS   6          2HD       LYS   6 -14.100   5.466  -1.088
  279   1HE   LYS   6          1HE       LYS   6 -14.712   7.994   0.440
  280   2HE   LYS   6          2HE       LYS   6 -15.205   7.639  -1.215
  281   1HZ   LYS   6          1HZ       LYS   6 -16.014   6.054   1.162
  282   2HZ   LYS   6          2HZ       LYS   6 -16.972   7.237   0.425
  283   3HZ   LYS   6          3HZ       LYS   6 -16.554   5.834  -0.425
  284    H    LYS   7           H        LYS   7 -13.813   3.018   4.070
  285    HA   LYS   7           HA       LYS   7 -11.598   4.660   4.909
  286   1HB   LYS   7          1HB       LYS   7 -12.514   4.486   7.119
  287   2HB   LYS   7          2HB       LYS   7 -13.845   4.734   5.999
  288   1HG   LYS   7          1HG       LYS   7 -13.964   2.114   6.049
  289   2HG   LYS   7          2HG       LYS   7 -13.123   2.323   7.585
  290   1HD   LYS   7          1HD       LYS   7 -15.739   3.625   6.822
  291   2HD   LYS   7          2HD       LYS   7 -15.557   2.227   7.883
  292   1HE   LYS   7          1HE       LYS   7 -15.500   3.722   9.545
  293   2HE   LYS   7          2HE       LYS   7 -13.849   4.041   9.012
  294   1HZ   LYS   7          1HZ       LYS   7 -15.231   5.625   7.373
  295   2HZ   LYS   7          2HZ       LYS   7 -16.233   5.668   8.734
  296   3HZ   LYS   7          3HZ       LYS   7 -14.612   6.134   8.864
  297    H    ARG   8           H        ARG   8 -12.302   1.262   4.672
  298    HA   ARG   8           HA       ARG   8 -10.222   0.428   6.460
  299   1HB   ARG   8          1HB       ARG   8 -10.823  -1.774   5.930
  300   2HB   ARG   8          2HB       ARG   8 -12.331  -0.882   5.825
  301   1HG   ARG   8          1HG       ARG   8 -12.634  -1.571   3.742
  302   2HG   ARG   8          2HG       ARG   8 -11.083  -0.888   3.256
  303   1HD   ARG   8          1HD       ARG   8 -10.321  -2.951   2.953
  304   2HD   ARG   8          2HD       ARG   8 -10.478  -3.225   4.685
  305    HE   ARG   8           HE       ARG   8 -12.192  -4.230   2.608
  306   1HH1  ARG   8          1HH1      ARG   8 -11.971  -3.419   5.995
  307   2HH1  ARG   8          2HH1      ARG   8 -13.251  -4.487   6.463
  308   1HH2  ARG   8          1HH2      ARG   8 -13.877  -5.636   3.222
  309   2HH2  ARG   8          2HH2      ARG   8 -14.333  -5.746   4.889
  310    H    VAL   9           H        VAL   9 -10.419   1.267   3.112
  311    HA   VAL   9           HA       VAL   9  -8.168  -0.096   2.128
  312    HB   VAL   9           HB       VAL   9  -9.272   2.572   1.228
  313   1HG1  VAL   9          1HG1      VAL   9  -6.944   1.917   0.447
  314   2HG1  VAL   9          2HG1      VAL   9  -7.724   0.600  -0.429
  315   3HG1  VAL   9          3HG1      VAL   9  -8.129   2.274  -0.807
  316   1HG2  VAL   9          1HG2      VAL   9 -10.657   0.262   1.289
  317   2HG2  VAL   9          2HG2      VAL   9 -10.886   1.509   0.064
  318   3HG2  VAL   9          3HG2      VAL   9  -9.867   0.112  -0.281
  319    H    GLN  10           H        GLN  10  -8.502   2.838   3.992
  320    HA   GLN  10           HA       GLN  10  -5.993   3.983   3.509
  321   1HB   GLN  10          1HB       GLN  10  -6.359   5.306   5.456
  322   2HB   GLN  10          2HB       GLN  10  -7.928   5.062   4.703
  323   1HG   GLN  10          1HG       GLN  10  -8.601   4.529   6.760
  324   2HG   GLN  10          2HG       GLN  10  -7.838   2.972   6.437
  325   1HE2  GLN  10          2HE2      GLN  10  -7.309   2.558   8.548
  326   2HE2  GLN  10          1HE2      GLN  10  -6.109   3.449   9.415
  327    H    ALA  11           H        ALA  11  -6.872   1.175   5.290
  328    HA   ALA  11           HA       ALA  11  -4.491   1.147   6.926
  329   1HB   ALA  11          1HB       ALA  11  -6.921   0.061   7.274
  330   2HB   ALA  11          2HB       ALA  11  -6.059  -1.331   6.616
  331   3HB   ALA  11          3HB       ALA  11  -5.465  -0.534   8.072
  332    H    LEU  12           H        LEU  12  -4.769   0.765   3.735
  333    HA   LEU  12           HA       LEU  12  -2.759  -1.386   3.649
  334   1HB   LEU  12          1HB       LEU  12  -4.351  -0.767   1.219
  335   2HB   LEU  12          2HB       LEU  12  -3.660  -2.285   1.742
  336    HG   LEU  12           HG       LEU  12  -5.955  -1.162   3.288
  337   1HD1  LEU  12          1HD1      LEU  12  -6.593  -0.991   0.910
  338   2HD1  LEU  12          2HD1      LEU  12  -6.264  -2.714   0.727
  339   3HD1  LEU  12          3HD1      LEU  12  -7.551  -2.171   1.802
  340   1HD2  LEU  12          1HD2      LEU  12  -4.882  -3.895   2.648
  341   2HD2  LEU  12          2HD2      LEU  12  -5.002  -3.106   4.221
  342   3HD2  LEU  12          3HD2      LEU  12  -6.462  -3.642   3.389
  343    H    LYS  13           H        LYS  13  -3.852   1.665   2.247
  344    HA   LYS  13           HA       LYS  13  -1.389   1.949   0.736
  345   1HB   LYS  13          1HB       LYS  13  -2.436   4.174   0.074
  346   2HB   LYS  13          2HB       LYS  13  -3.254   2.718  -0.470
  347   1HG   LYS  13          1HG       LYS  13  -4.881   4.306   0.275
  348   2HG   LYS  13          2HG       LYS  13  -4.842   2.962   1.416
  349   1HD   LYS  13          1HD       LYS  13  -4.033   4.244   3.098
  350   2HD   LYS  13          2HD       LYS  13  -3.043   5.224   2.015
  351   1HE   LYS  13          1HE       LYS  13  -5.870   5.633   1.544
  352   2HE   LYS  13          2HE       LYS  13  -5.438   5.963   3.221
  353   1HZ   LYS  13          1HZ       LYS  13  -3.556   7.335   2.233
  354   2HZ   LYS  13          2HZ       LYS  13  -4.402   7.249   0.771
  355   3HZ   LYS  13          3HZ       LYS  13  -5.118   7.974   2.123
  356    H    ALA  14           H        ALA  14  -2.675   2.933   3.776
  357    HA   ALA  14           HA       ALA  14  -1.365   5.323   4.264
  358   1HB   ALA  14          1HB       ALA  14  -2.174   3.066   6.061
  359   2HB   ALA  14          2HB       ALA  14  -1.327   4.477   6.697
  360   3HB   ALA  14          3HB       ALA  14  -2.887   4.670   5.897
  361    H    ARG  15           H        ARG  15  -0.193   2.070   5.147
  362    HA   ARG  15           HA       ARG  15   2.432   3.028   5.766
  363   1HB   ARG  15          1HB       ARG  15   1.191   0.939   6.685
  364   2HB   ARG  15          2HB       ARG  15   1.771   0.149   5.227
  365   1HG   ARG  15          1HG       ARG  15   3.346  -0.371   6.873
  366   2HG   ARG  15          2HG       ARG  15   4.092   0.910   5.915
  367   1HD   ARG  15          1HD       ARG  15   4.499   1.825   7.932
  368   2HD   ARG  15          2HD       ARG  15   2.834   2.384   7.790
  369    HE   ARG  15           HE       ARG  15   3.823   0.226   9.485
  370   1HH1  ARG  15          1HH1      ARG  15   1.085   2.040   8.284
  371   2HH1  ARG  15          2HH1      ARG  15   0.023   1.495   9.537
  372   1HH2  ARG  15          1HH2      ARG  15   2.422  -0.483  11.128
  373   2HH2  ARG  15          2HH2      ARG  15   0.780   0.066  11.149
  374    H    ASN  16           H        ASN  16   0.956   1.304   3.057
  375    HA   ASN  16           HA       ASN  16   3.248   0.727   1.589
  376   1HB   ASN  16          1HB       ASN  16   1.039  -0.179   1.037
  377   2HB   ASN  16          2HB       ASN  16   0.489   1.423   0.563
  378   1HD2  ASN  16          2HD2      ASN  16   0.272  -0.632  -1.182
  379   2HD2  ASN  16          1HD2      ASN  16   1.397  -0.438  -2.479
  380    H    TYR  17           H        TYR  17   1.153   3.606   1.408
  381    HA   TYR  17           HA       TYR  17   2.374   4.975  -0.631
  382   1HB   TYR  17          1HB       TYR  17   0.364   5.820   0.419
  383   2HB   TYR  17          2HB       TYR  17   1.219   6.086   1.934
  384    HD1  TYR  17           HD1      TYR  17   1.227   7.144  -1.640
  385    HD2  TYR  17           HD2      TYR  17   2.145   8.173   2.384
  386    HE1  TYR  17           HE1      TYR  17   1.778   9.431  -2.356
  387    HE2  TYR  17           HE2      TYR  17   2.699  10.463   1.679
  388    HH   TYR  17           HH       TYR  17   3.524  11.431  -0.945
  389    H    ALA  18           H        ALA  18   3.409   4.749   2.735
  390    HA   ALA  18           HA       ALA  18   5.502   6.648   2.545
  391   1HB   ALA  18          1HB       ALA  18   4.326   5.370   4.606
  392   2HB   ALA  18          2HB       ALA  18   5.826   4.451   4.483
  393   3HB   ALA  18          3HB       ALA  18   5.880   6.197   4.723
  394    H    LEU  19           H        LEU  19   5.496   3.086   2.358
  395    HA   LEU  19           HA       LEU  19   8.282   2.887   1.876
  396   1HB   LEU  19          1HB       LEU  19   6.477   0.805   0.776
  397   2HB   LEU  19          2HB       LEU  19   7.977   0.635   1.659
  398    HG   LEU  19           HG       LEU  19   5.237   1.151   2.785
  399   1HD1  LEU  19          1HD1      LEU  19   7.166  -1.094   2.740
  400   2HD1  LEU  19          2HD1      LEU  19   6.210  -0.859   4.203
  401   3HD1  LEU  19          3HD1      LEU  19   5.405  -1.107   2.654
  402   1HD2  LEU  19          1HD2      LEU  19   7.901   1.755   3.922
  403   2HD2  LEU  19          2HD2      LEU  19   6.334   2.500   4.240
  404   3HD2  LEU  19          3HD2      LEU  19   6.742   0.953   4.983
  405    H    LYS  20           H        LYS  20   5.474   2.658  -0.299
  406    HA   LYS  20           HA       LYS  20   6.629   2.290  -2.729
  407   1HB   LYS  20          1HB       LYS  20   4.146   2.960  -1.927
  408   2HB   LYS  20          2HB       LYS  20   4.640   4.486  -2.648
  409   1HG   LYS  20          1HG       LYS  20   4.933   3.511  -4.768
  410   2HG   LYS  20          2HG       LYS  20   4.880   1.875  -4.110
  411   1HD   LYS  20          1HD       LYS  20   2.554   2.045  -3.650
  412   2HD   LYS  20          2HD       LYS  20   2.552   3.780  -3.973
  413   1HE   LYS  20          1HE       LYS  20   3.512   2.800  -6.319
  414   2HE   LYS  20          2HE       LYS  20   2.419   1.507  -5.828
  415   1HZ   LYS  20          1HZ       LYS  20   1.402   4.228  -5.613
  416   2HZ   LYS  20          2HZ       LYS  20   1.618   3.630  -7.180
  417   3HZ   LYS  20          3HZ       LYS  20   0.611   2.811  -6.095
  418    H    GLN  21           H        GLN  21   6.770   5.158  -0.766
  419    HA   GLN  21           HA       GLN  21   7.857   6.858  -2.803
  420   1HB   GLN  21          1HB       GLN  21   6.550   7.816  -1.006
  421   2HB   GLN  21          2HB       GLN  21   7.654   7.153   0.192
  422   1HG   GLN  21          1HG       GLN  21   9.013   8.825  -1.749
  423   2HG   GLN  21          2HG       GLN  21   7.731   9.686  -0.900
  424   1HE2  GLN  21          2HE2      GLN  21   8.020  10.264   1.182
  425   2HE2  GLN  21          1HE2      GLN  21   9.451   9.941   2.093
  426    H    LYS  22           H        LYS  22   9.136   4.992  -0.090
  427    HA   LYS  22           HA       LYS  22  11.847   5.896  -0.594
  428   1HB   LYS  22          1HB       LYS  22  12.446   4.699   1.386
  429   2HB   LYS  22          2HB       LYS  22  10.930   5.529   1.714
  430   1HG   LYS  22          1HG       LYS  22   9.799   3.336   1.080
  431   2HG   LYS  22          2HG       LYS  22  11.393   2.610   1.233
  432   1HD   LYS  22          1HD       LYS  22   9.741   3.938   3.351
  433   2HD   LYS  22          2HD       LYS  22  10.331   2.283   3.310
  434   1HE   LYS  22          1HE       LYS  22  12.594   3.014   3.641
  435   2HE   LYS  22          2HE       LYS  22  12.117   4.706   3.492
  436   1HZ   LYS  22          1HZ       LYS  22  10.724   3.217   5.546
  437   2HZ   LYS  22          2HZ       LYS  22  12.381   3.416   5.819
  438   3HZ   LYS  22          3HZ       LYS  22  11.390   4.770   5.598
  439    H    VAL  23           H        VAL  23   9.975   2.903  -0.882
  440    HA   VAL  23           HA       VAL  23  11.644   0.923  -1.346
  441    HB   VAL  23           HB       VAL  23   9.496   1.562  -3.365
  442   1HG1  VAL  23          1HG1      VAL  23  11.179  -0.803  -2.794
  443   2HG1  VAL  23          2HG1      VAL  23   9.474  -1.107  -3.131
  444   3HG1  VAL  23          3HG1      VAL  23  10.468  -0.254  -4.313
  445   1HG2  VAL  23          1HG2      VAL  23   9.254   1.111  -0.583
  446   2HG2  VAL  23          2HG2      VAL  23   7.970   1.219  -1.786
  447   3HG2  VAL  23          3HG2      VAL  23   8.686  -0.345  -1.401
  448    H    GLN  24           H        GLN  24  10.917   3.224  -3.985
  449    HA   GLN  24           HA       GLN  24  12.786   2.204  -5.802
  450   1HB   GLN  24          1HB       GLN  24  12.600   4.424  -6.919
  451   2HB   GLN  24          2HB       GLN  24  11.049   3.674  -6.568
  452   1HG   GLN  24          1HG       GLN  24  11.309   5.137  -4.356
  453   2HG   GLN  24          2HG       GLN  24  12.275   6.121  -5.454
  454   1HE2  GLN  24          2HE2      GLN  24   9.414   6.094  -4.149
  455   2HE2  GLN  24          1HE2      GLN  24   8.424   6.670  -5.442
  456    H    ALA  25           H        ALA  25  13.075   4.843  -3.447
  457    HA   ALA  25           HA       ALA  25  15.666   5.660  -4.094
  458   1HB   ALA  25          1HB       ALA  25  13.806   6.523  -2.346
  459   2HB   ALA  25          2HB       ALA  25  14.941   5.751  -1.239
  460   3HB   ALA  25          3HB       ALA  25  15.493   7.035  -2.314
  461    H    LEU  26           H        LEU  26  14.519   3.093  -1.963
  462    HA   LEU  26           HA       LEU  26  17.036   2.443  -0.842
  463   1HB   LEU  26          1HB       LEU  26  14.762   0.511  -1.241
  464   2HB   LEU  26          2HB       LEU  26  15.999   0.476   0.001
  465    HG   LEU  26           HG       LEU  26  13.785   2.515  -0.213
  466   1HD1  LEU  26          1HD1      LEU  26  14.086  -0.043   1.232
  467   2HD1  LEU  26          2HD1      LEU  26  13.380   1.302   2.128
  468   3HD1  LEU  26          3HD1      LEU  26  12.636   0.758   0.626
  469   1HD2  LEU  26          1HD2      LEU  26  16.217   2.319   1.465
  470   2HD2  LEU  26          2HD2      LEU  26  15.355   3.741   0.876
  471   3HD2  LEU  26          3HD2      LEU  26  14.726   2.836   2.252
  472    H    ARG  27           H        ARG  27  15.142   0.764  -3.357
  473    HA   ARG  27           HA       ARG  27  17.149  -1.046  -4.093
  474   1HB   ARG  27          1HB       ARG  27  15.841  -1.305  -6.203
  475   2HB   ARG  27          2HB       ARG  27  14.870  -1.447  -4.744
  476   1HG   ARG  27          1HG       ARG  27  14.443   1.105  -5.150
  477   2HG   ARG  27          2HG       ARG  27  14.900   0.700  -6.805
  478   1HD   ARG  27          1HD       ARG  27  13.164  -1.317  -6.173
  479   2HD   ARG  27          2HD       ARG  27  12.470   0.054  -5.307
  480    HE   ARG  27           HE       ARG  27  13.094   0.861  -7.917
  481   1HH1  ARG  27          1HH1      ARG  27  10.870  -1.243  -6.242
  482   2HH1  ARG  27          2HH1      ARG  27   9.631  -1.096  -7.443
  483   1HH2  ARG  27          1HH2      ARG  27  11.466   1.055  -9.498
  484   2HH2  ARG  27          2HH2      ARG  27   9.969   0.208  -9.292
  485    H    HIS  28           H        HIS  28  16.252   2.089  -5.504
  486    HA   HIS  28           HA       HIS  28  18.131   2.099  -7.580
  487   1HB   HIS  28          1HB       HIS  28  16.806   4.353  -6.071
  488   2HB   HIS  28          2HB       HIS  28  17.857   4.620  -7.458
  489    HD1  HIS  28           HD1      HIS  28  16.443   1.817  -8.722
  490    HD2  HIS  28           HD2      HIS  28  14.771   5.489  -7.731
  491    HE1  HIS  28           HE1      HIS  28  14.313   2.015 -10.070
  492    H    LYS  29           H        LYS  29  18.475   2.721  -4.182
  493    HA   LYS  29           HA       LYS  29  20.779   4.273  -4.126
  494   1HB   LYS  29          1HB       LYS  29  19.364   3.642  -2.157
  495   2HB   LYS  29          2HB       LYS  29  20.103   2.047  -2.198
  496   1HG   LYS  29          1HG       LYS  29  22.242   2.934  -1.659
  497   2HG   LYS  29          2HG       LYS  29  21.677   4.590  -1.886
  498   1HD   LYS  29          1HD       LYS  29  20.819   4.695   0.181
  499   2HD   LYS  29          2HD       LYS  29  20.100   3.089   0.057
  500   1HE   LYS  29          1HE       LYS  29  23.036   3.154   0.285
  501   2HE   LYS  29          2HE       LYS  29  22.153   3.715   1.704
  502   1HZ   LYS  29          1HZ       LYS  29  20.845   1.597   1.534
  503   2HZ   LYS  29          2HZ       LYS  29  21.973   1.066   0.389
  504   3HZ   LYS  29          3HZ       LYS  29  22.468   1.410   1.969
  505    H    GLY  30           H        GLY  30  22.565   3.872  -5.267
  506   1HA   GLY  30          1HA       GLY  30  24.436   1.981  -4.684
  507   2HA   GLY  30          2HA       GLY  30  23.421   1.191  -5.881
  508   1HN   NH2  31          1HN       NH2  31  24.389   4.583  -5.666
  509   2HN   NH2  31          2HN       NH2  31  25.227   4.625  -7.177
  Start of MODEL   17
    1   1H    ACE   0          1H        ACE   0 -21.655   6.871  -2.648
    2   2H    ACE   0          2H        ACE   0 -19.940   6.826  -3.058
    3   3H    ACE   0          3H        ACE   0 -20.487   6.240  -1.487
    4    H    GLU   1           H        GLU   1 -19.385   5.216  -4.374
    5    HA   GLU   1           HA       GLU   1 -21.168   2.983  -4.799
    6   1HB   GLU   1          1HB       GLU   1 -18.636   3.939  -6.099
    7   2HB   GLU   1          2HB       GLU   1 -19.264   2.333  -6.444
    8   1HG   GLU   1          1HG       GLU   1 -20.898   4.832  -6.769
    9   2HG   GLU   1          2HG       GLU   1 -19.906   4.153  -8.058
   10    H    VAL   2           H        VAL   2 -21.018   1.053  -3.872
   11    HA   VAL   2           HA       VAL   2 -19.079   0.492  -1.887
   12    HB   VAL   2           HB       VAL   2 -20.882  -1.515  -3.241
   13   1HG1  VAL   2          1HG1      VAL   2 -19.152  -1.522  -0.850
   14   2HG1  VAL   2          2HG1      VAL   2 -20.739  -2.266  -0.663
   15   3HG1  VAL   2          3HG1      VAL   2 -19.634  -2.847  -1.909
   16   1HG2  VAL   2          1HG2      VAL   2 -21.469   0.635  -1.279
   17   2HG2  VAL   2          2HG2      VAL   2 -22.482  -0.044  -2.552
   18   3HG2  VAL   2          3HG2      VAL   2 -22.250  -0.928  -1.044
   19    H    ALA   3           H        ALA   3 -19.615  -0.899  -5.123
   20    HA   ALA   3           HA       ALA   3 -17.447  -2.664  -5.114
   21   1HB   ALA   3          1HB       ALA   3 -19.466  -2.186  -6.827
   22   2HB   ALA   3          2HB       ALA   3 -18.134  -1.433  -7.703
   23   3HB   ALA   3          3HB       ALA   3 -18.037  -3.132  -7.240
   24    H    GLN   4           H        GLN   4 -17.649   0.744  -5.978
   25    HA   GLN   4           HA       GLN   4 -15.142   1.035  -7.183
   26   1HB   GLN   4          1HB       GLN   4 -16.952   2.926  -5.712
   27   2HB   GLN   4          2HB       GLN   4 -15.376   3.458  -6.279
   28   1HG   GLN   4          1HG       GLN   4 -17.242   2.115  -8.176
   29   2HG   GLN   4          2HG       GLN   4 -17.500   3.805  -7.744
   30   1HE2  GLN   4          2HE2      GLN   4 -15.830   5.321  -8.210
   31   2HE2  GLN   4          1HE2      GLN   4 -14.706   5.020  -9.488
   32    H    LEU   5           H        LEU   5 -16.096   1.011  -3.802
   33    HA   LEU   5           HA       LEU   5 -13.449   1.745  -2.890
   34   1HB   LEU   5          1HB       LEU   5 -16.012   1.010  -1.506
   35   2HB   LEU   5          2HB       LEU   5 -14.508   1.160  -0.617
   36    HG   LEU   5           HG       LEU   5 -15.434   3.423  -2.342
   37   1HD1  LEU   5          1HD1      LEU   5 -16.413   2.794   0.437
   38   2HD1  LEU   5          2HD1      LEU   5 -16.596   4.356  -0.362
   39   3HD1  LEU   5          3HD1      LEU   5 -17.383   2.926  -1.030
   40   1HD2  LEU   5          1HD2      LEU   5 -13.499   2.958  -0.163
   41   2HD2  LEU   5          2HD2      LEU   5 -13.410   4.043  -1.551
   42   3HD2  LEU   5          3HD2      LEU   5 -14.356   4.500  -0.134
   43    H    GLU   6           H        GLU   6 -15.423  -1.151  -3.170
   44    HA   GLU   6           HA       GLU   6 -13.812  -2.890  -1.663
   45   1HB   GLU   6          1HB       GLU   6 -15.758  -3.328  -3.917
   46   2HB   GLU   6          2HB       GLU   6 -14.881  -4.669  -3.192
   47   1HG   GLU   6          1HG       GLU   6 -15.895  -3.347  -1.010
   48   2HG   GLU   6          2HG       GLU   6 -17.178  -3.186  -2.208
   49    H    LYS   7           H        LYS   7 -13.819  -2.148  -5.136
   50    HA   LYS   7           HA       LYS   7 -11.760  -3.926  -5.852
   51   1HB   LYS   7          1HB       LYS   7 -12.351  -1.313  -7.232
   52   2HB   LYS   7          2HB       LYS   7 -11.676  -2.774  -7.937
   53   1HG   LYS   7          1HG       LYS   7 -14.266  -3.253  -6.734
   54   2HG   LYS   7          2HG       LYS   7 -14.327  -1.991  -7.966
   55   1HD   LYS   7          1HD       LYS   7 -13.118  -4.728  -8.354
   56   2HD   LYS   7          2HD       LYS   7 -14.736  -4.256  -8.877
   57   1HE   LYS   7          1HE       LYS   7 -12.499  -2.528  -9.747
   58   2HE   LYS   7          2HE       LYS   7 -12.581  -4.135 -10.468
   59   1HZ   LYS   7          1HZ       LYS   7 -14.968  -2.404 -10.382
   60   2HZ   LYS   7          2HZ       LYS   7 -13.814  -2.217 -11.604
   61   3HZ   LYS   7          3HZ       LYS   7 -14.626  -3.691 -11.424
   62    H    GLU   8           H        GLU   8 -11.713  -0.604  -4.699
   63    HA   GLU   8           HA       GLU   8  -9.010  -0.061  -5.230
   64   1HB   GLU   8          1HB       GLU   8 -10.920   1.520  -4.510
   65   2HB   GLU   8          2HB       GLU   8 -10.447   1.098  -2.870
   66   1HG   GLU   8          1HG       GLU   8  -8.689   2.453  -2.936
   67   2HG   GLU   8          2HG       GLU   8  -8.167   1.823  -4.497
   68    H    VAL   9           H        VAL   9 -10.483  -2.082  -2.884
   69    HA   VAL   9           HA       VAL   9  -8.350  -1.974  -0.961
   70    HB   VAL   9           HB       VAL   9 -10.638  -3.919  -1.302
   71   1HG1  VAL   9          1HG1      VAL   9  -8.621  -3.746   0.937
   72   2HG1  VAL   9          2HG1      VAL   9 -10.067  -4.755   0.937
   73   3HG1  VAL   9          3HG1      VAL   9  -8.778  -5.063  -0.226
   74   1HG2  VAL   9          1HG2      VAL   9 -10.147  -1.617   0.577
   75   2HG2  VAL   9          2HG2      VAL   9 -11.415  -1.762  -0.641
   76   3HG2  VAL   9          3HG2      VAL   9 -11.441  -2.796   0.787
   77    H    ALA  10           H        ALA  10  -9.506  -4.558  -3.144
   78    HA   ALA  10           HA       ALA  10  -7.346  -6.284  -2.811
   79   1HB   ALA  10          1HB       ALA  10  -9.664  -6.427  -4.170
   80   2HB   ALA  10          2HB       ALA  10  -8.537  -6.198  -5.508
   81   3HB   ALA  10          3HB       ALA  10  -8.327  -7.553  -4.401
   82    H    GLN  11           H        GLN  11  -7.636  -3.368  -4.661
   83    HA   GLN  11           HA       GLN  11  -5.514  -3.764  -6.474
   84   1HB   GLN  11          1HB       GLN  11  -7.176  -2.008  -6.794
   85   2HB   GLN  11          2HB       GLN  11  -6.647  -1.208  -5.321
   86   1HG   GLN  11          1HG       GLN  11  -4.500  -1.648  -7.244
   87   2HG   GLN  11          2HG       GLN  11  -5.799  -0.623  -7.850
   88   1HE2  GLN  11          2HE2      GLN  11  -3.020   0.013  -7.138
   89   2HE2  GLN  11          1HE2      GLN  11  -3.116   1.278  -5.965
   90    H    LEU  12           H        LEU  12  -5.642  -2.242  -3.266
   91    HA   LEU  12           HA       LEU  12  -2.773  -1.816  -3.268
   92   1HB   LEU  12          1HB       LEU  12  -4.742  -1.387  -1.024
   93   2HB   LEU  12          2HB       LEU  12  -3.104  -0.768  -1.117
   94    HG   LEU  12           HG       LEU  12  -5.221   0.014  -3.108
   95   1HD1  LEU  12          1HD1      LEU  12  -4.535   1.302  -0.474
   96   2HD1  LEU  12          2HD1      LEU  12  -5.442   2.097  -1.759
   97   3HD1  LEU  12          3HD1      LEU  12  -6.097   0.658  -0.978
   98   1HD2  LEU  12          1HD2      LEU  12  -2.453   0.885  -2.435
   99   2HD2  LEU  12          2HD2      LEU  12  -3.211   0.654  -4.009
  100   3HD2  LEU  12          3HD2      LEU  12  -3.599   2.079  -3.045
  101    H    GLU  13           H        GLU  13  -5.107  -4.027  -1.878
  102    HA   GLU  13           HA       GLU  13  -3.509  -5.180   0.108
  103   1HB   GLU  13          1HB       GLU  13  -5.920  -6.010  -1.418
  104   2HB   GLU  13          2HB       GLU  13  -5.029  -7.275  -0.582
  105   1HG   GLU  13          1HG       GLU  13  -5.253  -6.037   1.517
  106   2HG   GLU  13          2HG       GLU  13  -6.167  -4.788   0.672
  107    H    ALA  14           H        ALA  14  -3.415  -5.506  -3.332
  108    HA   ALA  14           HA       ALA  14  -1.815  -7.934  -3.232
  109   1HB   ALA  14          1HB       ALA  14  -3.606  -7.077  -5.049
  110   2HB   ALA  14          2HB       ALA  14  -2.114  -6.500  -5.791
  111   3HB   ALA  14          3HB       ALA  14  -2.307  -8.213  -5.416
  112    H    GLU  15           H        GLU  15  -1.425  -4.491  -3.805
  113    HA   GLU  15           HA       GLU  15   1.377  -4.812  -4.519
  114   1HB   GLU  15          1HB       GLU  15  -0.259  -3.104  -5.547
  115   2HB   GLU  15          2HB       GLU  15  -0.026  -2.190  -4.064
  116   1HG   GLU  15          1HG       GLU  15   1.864  -1.342  -4.832
  117   2HG   GLU  15          2HG       GLU  15   2.521  -2.955  -5.103
  118    H    ASN  16           H        ASN  16  -0.492  -3.105  -2.007
  119    HA   ASN  16           HA       ASN  16   1.562  -2.149  -0.458
  120   1HB   ASN  16          1HB       ASN  16  -0.813  -1.652  -0.059
  121   2HB   ASN  16          2HB       ASN  16  -1.062  -3.294   0.525
  122   1HD2  ASN  16          2HD2      ASN  16  -1.786  -2.448   2.502
  123   2HD2  ASN  16          1HD2      ASN  16  -0.678  -1.835   3.678
  124    H    TYR  17           H        TYR  17   0.412  -5.436  -0.721
  125    HA   TYR  17           HA       TYR  17   1.930  -6.338   1.575
  126   1HB   TYR  17          1HB       TYR  17  -0.145  -7.468   1.187
  127   2HB   TYR  17          2HB       TYR  17   0.270  -7.786  -0.493
  128    HD1  TYR  17           HD1      TYR  17   1.761  -8.436   2.883
  129    HD2  TYR  17           HD2      TYR  17   0.833  -9.961  -0.979
  130    HE1  TYR  17           HE1      TYR  17   2.690 -10.619   3.527
  131    HE2  TYR  17           HE2      TYR  17   1.758 -12.149  -0.344
  132    HH   TYR  17           HH       TYR  17   3.566 -12.934   1.446
  133    H    GLN  18           H        GLN  18   2.271  -6.226  -1.902
  134    HA   GLN  18           HA       GLN  18   4.414  -8.080  -2.095
  135   1HB   GLN  18          1HB       GLN  18   2.801  -6.833  -3.900
  136   2HB   GLN  18          2HB       GLN  18   4.299  -5.936  -4.114
  137   1HG   GLN  18          1HG       GLN  18   5.451  -8.165  -4.375
  138   2HG   GLN  18          2HG       GLN  18   3.842  -8.883  -4.462
  139   1HE2  GLN  18          2HE2      GLN  18   3.118  -9.187  -6.432
  140   2HE2  GLN  18          1HE2      GLN  18   3.530  -8.260  -7.830
  141    H    LEU  19           H        LEU  19   4.235  -4.650  -1.425
  142    HA   LEU  19           HA       LEU  19   7.100  -4.290  -1.710
  143   1HB   LEU  19          1HB       LEU  19   4.954  -2.404  -0.745
  144   2HB   LEU  19          2HB       LEU  19   6.633  -1.969  -1.004
  145    HG   LEU  19           HG       LEU  19   4.866  -3.016  -3.208
  146   1HD1  LEU  19          1HD1      LEU  19   4.938  -0.380  -1.959
  147   2HD1  LEU  19          2HD1      LEU  19   5.210  -0.347  -3.702
  148   3HD1  LEU  19          3HD1      LEU  19   3.749  -1.089  -3.051
  149   1HD2  LEU  19          1HD2      LEU  19   7.476  -2.995  -3.257
  150   2HD2  LEU  19          2HD2      LEU  19   6.559  -2.441  -4.657
  151   3HD2  LEU  19          3HD2      LEU  19   7.261  -1.269  -3.543
  152    H    GLU  20           H        GLU  20   4.699  -4.510   0.868
  153    HA   GLU  20           HA       GLU  20   6.239  -3.751   3.042
  154   1HB   GLU  20          1HB       GLU  20   3.734  -4.472   2.871
  155   2HB   GLU  20          2HB       GLU  20   4.353  -6.070   3.260
  156   1HG   GLU  20          1HG       GLU  20   5.339  -5.183   5.316
  157   2HG   GLU  20          2HG       GLU  20   4.696  -3.588   4.927
  158    H    GLN  21           H        GLN  21   6.401  -6.643   1.138
  159    HA   GLN  21           HA       GLN  21   8.121  -7.968   3.093
  160   1HB   GLN  21          1HB       GLN  21   6.209  -8.991   1.485
  161   2HB   GLN  21          2HB       GLN  21   7.619  -9.231   0.465
  162   1HG   GLN  21          1HG       GLN  21   8.714 -10.406   2.361
  163   2HG   GLN  21          2HG       GLN  21   7.199 -10.276   3.254
  164   1HE2  GLN  21          2HE2      GLN  21   8.053 -11.121  -0.089
  165   2HE2  GLN  21          1HE2      GLN  21   7.188 -12.617  -0.111
  166    H    GLU  22           H        GLU  22   8.283  -6.211   0.113
  167    HA   GLU  22           HA       GLU  22  10.995  -7.100  -0.454
  168   1HB   GLU  22          1HB       GLU  22   9.350  -6.731  -2.286
  169   2HB   GLU  22          2HB       GLU  22   9.327  -5.021  -1.878
  170   1HG   GLU  22          1HG       GLU  22  11.945  -5.307  -2.212
  171   2HG   GLU  22          2HG       GLU  22  11.402  -6.621  -3.253
  172    H    VAL  23           H        VAL  23   9.369  -4.493   1.114
  173    HA   VAL  23           HA       VAL  23  11.688  -2.738   1.014
  174    HB   VAL  23           HB       VAL  23   9.138  -2.298   2.563
  175   1HG1  VAL  23          1HG1      VAL  23  11.454  -0.931   2.716
  176   2HG1  VAL  23          2HG1      VAL  23  10.663  -0.061   1.402
  177   3HG1  VAL  23          3HG1      VAL  23   9.868  -0.203   2.969
  178   1HG2  VAL  23          1HG2      VAL  23   9.397  -2.500  -0.234
  179   2HG2  VAL  23          2HG2      VAL  23   8.013  -1.910   0.685
  180   3HG2  VAL  23          3HG2      VAL  23   9.251  -0.782   0.134
  181    H    ALA  24           H        ALA  24  10.138  -4.969   3.191
  182    HA   ALA  24           HA       ALA  24  11.104  -4.149   5.651
  183   1HB   ALA  24          1HB       ALA  24  10.464  -6.855   4.536
  184   2HB   ALA  24          2HB       ALA  24  11.075  -6.669   6.179
  185   3HB   ALA  24          3HB       ALA  24   9.564  -5.891   5.706
  186    H    GLN  25           H        GLN  25  12.819  -5.601   3.003
  187    HA   GLN  25           HA       GLN  25  15.189  -5.984   4.699
  188   1HB   GLN  25          1HB       GLN  25  16.083  -7.225   2.693
  189   2HB   GLN  25          2HB       GLN  25  14.693  -7.961   3.477
  190   1HG   GLN  25          1HG       GLN  25  13.228  -7.193   1.758
  191   2HG   GLN  25          2HG       GLN  25  14.507  -6.222   1.033
  192   1HE2  GLN  25          2HE2      GLN  25  12.963  -9.222   1.097
  193   2HE2  GLN  25          1HE2      GLN  25  14.036 -10.077   0.047
  194    H    LEU  26           H        LEU  26  14.067  -4.395   1.744
  195    HA   LEU  26           HA       LEU  26  16.504  -3.300   0.924
  196   1HB   LEU  26          1HB       LEU  26  13.677  -2.314   0.584
  197   2HB   LEU  26          2HB       LEU  26  15.055  -1.549  -0.181
  198    HG   LEU  26           HG       LEU  26  14.336  -4.443  -0.613
  199   1HD1  LEU  26          1HD1      LEU  26  12.503  -2.975  -1.351
  200   2HD1  LEU  26          2HD1      LEU  26  13.647  -2.081  -2.353
  201   3HD1  LEU  26          3HD1      LEU  26  13.311  -3.777  -2.698
  202   1HD2  LEU  26          1HD2      LEU  26  16.283  -2.525  -1.842
  203   2HD2  LEU  26          2HD2      LEU  26  16.566  -4.148  -1.214
  204   3HD2  LEU  26          3HD2      LEU  26  15.698  -3.932  -2.733
  205    H    GLU  27           H        GLU  27  14.211  -2.256   3.358
  206    HA   GLU  27           HA       GLU  27  15.638   0.242   3.794
  207   1HB   GLU  27          1HB       GLU  27  13.886   0.781   5.364
  208   2HB   GLU  27          2HB       GLU  27  13.159   0.172   3.885
  209   1HG   GLU  27          1HG       GLU  27  11.996  -1.240   5.124
  210   2HG   GLU  27          2HG       GLU  27  13.506  -2.075   5.487
  211    H    HIS  28           H        HIS  28  17.378  -1.738   4.238
  212    HA   HIS  28           HA       HIS  28  17.401  -2.724   6.903
  213   1HB   HIS  28          1HB       HIS  28  19.661  -3.466   6.417
  214   2HB   HIS  28          2HB       HIS  28  18.624  -3.801   5.036
  215    HD1  HIS  28           HD1      HIS  28  21.111  -1.110   6.117
  216    HD2  HIS  28           HD2      HIS  28  19.622  -2.944   2.700
  217    HE1  HIS  28           HE1      HIS  28  22.435  -0.176   4.176
  218    H    GLU  29           H        GLU  29  18.547   0.190   5.374
  219    HA   GLU  29           HA       GLU  29  20.377   1.052   7.316
  220   1HB   GLU  29          1HB       GLU  29  20.188   2.089   5.103
  221   2HB   GLU  29          2HB       GLU  29  18.593   2.703   5.516
  222   1HG   GLU  29          1HG       GLU  29  20.269   4.445   5.688
  223   2HG   GLU  29          2HG       GLU  29  19.567   4.089   7.265
  224    H    GLY  30           H        GLY  30  16.879   1.555   7.030
  225   1HA   GLY  30          1HA       GLY  30  15.843   1.423   9.372
  226   2HA   GLY  30          2HA       GLY  30  16.894   2.791   9.704
  227   1HN   NH2  31          1HN       NH2  31  15.949   4.692   9.575
  228   2HN   NH2  31          2HN       NH2  31  14.591   5.095   8.586
  229   1H    ACE   0          1H        ACE   0 -23.923  -2.485   3.807
  230   2H    ACE   0          2H        ACE   0 -23.163  -1.935   2.315
  231   3H    ACE   0          3H        ACE   0 -23.937  -0.771   3.391
  232    H    GLU   1           H        GLU   1 -21.073  -2.547   2.695
  233    HA   GLU   1           HA       GLU   1 -19.793  -1.825   5.206
  234   1HB   GLU   1          1HB       GLU   1 -17.801  -2.870   3.650
  235   2HB   GLU   1          2HB       GLU   1 -18.757  -3.753   4.827
  236   1HG   GLU   1          1HG       GLU   1 -18.750  -5.016   2.842
  237   2HG   GLU   1          2HG       GLU   1 -20.354  -4.313   2.992
  238    H    VAL   2           H        VAL   2 -20.605   0.174   3.085
  239    HA   VAL   2           HA       VAL   2 -18.483   1.233   1.701
  240    HB   VAL   2           HB       VAL   2 -20.499   2.910   3.186
  241   1HG1  VAL   2          1HG1      VAL   2 -18.843   3.368   0.715
  242   2HG1  VAL   2          2HG1      VAL   2 -20.205   4.388   1.178
  243   3HG1  VAL   2          3HG1      VAL   2 -18.796   4.267   2.232
  244   1HG2  VAL   2          1HG2      VAL   2 -20.763   1.283   0.684
  245   2HG2  VAL   2          2HG2      VAL   2 -21.857   1.389   2.063
  246   3HG2  VAL   2          3HG2      VAL   2 -21.734   2.735   0.930
  247    H    GLN   3           H        GLN   3 -18.792   1.008   5.087
  248    HA   GLN   3           HA       GLN   3 -16.847   3.113   5.585
  249   1HB   GLN   3          1HB       GLN   3 -19.031   2.279   7.019
  250   2HB   GLN   3          2HB       GLN   3 -17.714   1.487   7.873
  251   1HG   GLN   3          1HG       GLN   3 -16.912   3.413   8.700
  252   2HG   GLN   3          2HG       GLN   3 -17.271   4.319   7.230
  253   1HE2  GLN   3          2HE2      GLN   3 -17.862   4.453  10.305
  254   2HE2  GLN   3          1HE2      GLN   3 -19.509   4.973  10.338
  255    H    ALA   4           H        ALA   4 -17.206  -0.153   6.914
  256    HA   ALA   4           HA       ALA   4 -14.570  -0.517   7.678
  257   1HB   ALA   4          1HB       ALA   4 -16.881  -2.304   7.223
  258   2HB   ALA   4          2HB       ALA   4 -15.289  -3.054   7.346
  259   3HB   ALA   4          3HB       ALA   4 -15.899  -2.057   8.667
  260    H    LEU   5           H        LEU   5 -15.845  -0.600   4.510
  261    HA   LEU   5           HA       LEU   5 -13.501  -2.074   3.524
  262   1HB   LEU   5          1HB       LEU   5 -16.246  -1.656   2.531
  263   2HB   LEU   5          2HB       LEU   5 -14.991  -1.747   1.328
  264    HG   LEU   5           HG       LEU   5 -15.719  -3.864   3.354
  265   1HD1  LEU   5          1HD1      LEU   5 -16.760  -3.296   0.824
  266   2HD1  LEU   5          2HD1      LEU   5 -15.687  -4.677   0.596
  267   3HD1  LEU   5          3HD1      LEU   5 -16.994  -4.761   1.776
  268   1HD2  LEU   5          1HD2      LEU   5 -13.414  -3.666   1.440
  269   2HD2  LEU   5          2HD2      LEU   5 -13.388  -4.027   3.166
  270   3HD2  LEU   5          3HD2      LEU   5 -14.015  -5.217   2.026
  271    H    LYS   6           H        LYS   6 -14.752   0.966   3.963
  272    HA   LYS   6           HA       LYS   6 -13.495   2.225   1.694
  273   1HB   LYS   6          1HB       LYS   6 -15.584   3.100   2.229
  274   2HB   LYS   6          2HB       LYS   6 -15.252   3.042   3.948
  275   1HG   LYS   6          1HG       LYS   6 -14.586   5.158   3.934
  276   2HG   LYS   6          2HG       LYS   6 -13.396   4.819   2.677
  277   1HD   LYS   6          1HD       LYS   6 -14.614   5.953   1.206
  278   2HD   LYS   6          2HD       LYS   6 -15.968   4.854   1.467
  279   1HE   LYS   6          1HE       LYS   6 -17.068   6.624   2.263
  280   2HE   LYS   6          2HE       LYS   6 -16.041   6.484   3.688
  281   1HZ   LYS   6          1HZ       LYS   6 -14.918   7.947   1.441
  282   2HZ   LYS   6          2HZ       LYS   6 -16.218   8.691   2.228
  283   3HZ   LYS   6          3HZ       LYS   6 -14.829   8.274   3.098
  284    H    LYS   7           H        LYS   7 -13.459   3.018   5.144
  285    HA   LYS   7           HA       LYS   7 -11.079   4.440   5.128
  286   1HB   LYS   7          1HB       LYS   7 -12.194   2.814   7.412
  287   2HB   LYS   7          2HB       LYS   7 -11.080   4.167   7.539
  288   1HG   LYS   7          1HG       LYS   7 -12.809   5.530   7.742
  289   2HG   LYS   7          2HG       LYS   7 -13.308   5.104   6.104
  290   1HD   LYS   7          1HD       LYS   7 -15.195   4.460   7.195
  291   2HD   LYS   7          2HD       LYS   7 -14.265   2.973   7.399
  292   1HE   LYS   7          1HE       LYS   7 -15.104   3.451   9.536
  293   2HE   LYS   7          2HE       LYS   7 -13.427   3.992   9.579
  294   1HZ   LYS   7          1HZ       LYS   7 -14.197   6.255   9.176
  295   2HZ   LYS   7          2HZ       LYS   7 -15.805   5.725   9.173
  296   3HZ   LYS   7          3HZ       LYS   7 -14.881   5.619  10.586
  297    H    ARG   8           H        ARG   8 -11.628   1.012   5.152
  298    HA   ARG   8           HA       ARG   8  -9.138   0.185   6.176
  299   1HB   ARG   8          1HB       ARG   8  -9.718  -1.980   5.512
  300   2HB   ARG   8          2HB       ARG   8 -11.262  -1.206   5.823
  301   1HG   ARG   8          1HG       ARG   8 -11.930  -1.826   3.809
  302   2HG   ARG   8          2HG       ARG   8 -10.713  -0.765   3.105
  303   1HD   ARG   8          1HD       ARG   8  -9.728  -2.572   2.264
  304   2HD   ARG   8          2HD       ARG   8  -9.320  -3.051   3.908
  305    HE   ARG   8           HE       ARG   8 -11.433  -4.132   2.243
  306   1HH1  ARG   8          1HH1      ARG   8 -10.078  -3.896   5.454
  307   2HH1  ARG   8          2HH1      ARG   8 -10.863  -5.327   6.023
  308   1HH2  ARG   8          1HH2      ARG   8 -12.460  -6.016   2.994
  309   2HH2  ARG   8          2HH2      ARG   8 -12.216  -6.531   4.629
  310    H    VAL   9           H        VAL   9 -10.158   1.206   2.992
  311    HA   VAL   9           HA       VAL   9  -7.997   0.206   1.504
  312    HB   VAL   9           HB       VAL   9  -9.621   2.706   1.003
  313   1HG1  VAL   9          1HG1      VAL   9  -7.281   2.024  -0.236
  314   2HG1  VAL   9          2HG1      VAL   9  -8.485   1.282  -1.289
  315   3HG1  VAL   9          3HG1      VAL   9  -8.556   3.011  -0.948
  316   1HG2  VAL   9          1HG2      VAL   9 -10.627   0.238   1.138
  317   2HG2  VAL   9          2HG2      VAL   9 -11.206   1.440  -0.014
  318   3HG2  VAL   9          3HG2      VAL   9 -10.053   0.210  -0.529
  319    H    GLN  10           H        GLN  10  -8.480   3.362   3.063
  320    HA   GLN  10           HA       GLN  10  -6.077   4.552   2.330
  321   1HB   GLN  10          1HB       GLN  10  -7.413   4.937   5.008
  322   2HB   GLN  10          2HB       GLN  10  -6.436   6.096   4.116
  323   1HG   GLN  10          1HG       GLN  10  -8.407   5.609   2.329
  324   2HG   GLN  10          2HG       GLN  10  -9.274   5.410   3.850
  325   1HE2  GLN  10          2HE2      GLN  10  -6.996   7.609   2.257
  326   2HE2  GLN  10          1HE2      GLN  10  -7.688   9.061   2.887
  327    H    ALA  11           H        ALA  11  -6.712   2.036   4.611
  328    HA   ALA  11           HA       ALA  11  -4.277   2.339   6.099
  329   1HB   ALA  11          1HB       ALA  11  -6.606   1.102   6.634
  330   2HB   ALA  11          2HB       ALA  11  -5.634  -0.276   6.119
  331   3HB   ALA  11          3HB       ALA  11  -5.090   0.734   7.458
  332    H    LEU  12           H        LEU  12  -5.154   0.849   3.120
  333    HA   LEU  12           HA       LEU  12  -2.884  -0.964   3.125
  334   1HB   LEU  12          1HB       LEU  12  -4.421  -0.430   0.639
  335   2HB   LEU  12          2HB       LEU  12  -3.764  -1.936   1.239
  336    HG   LEU  12           HG       LEU  12  -6.118  -0.678   2.605
  337   1HD1  LEU  12          1HD1      LEU  12  -6.187  -2.415   0.145
  338   2HD1  LEU  12          2HD1      LEU  12  -7.581  -2.031   1.156
  339   3HD1  LEU  12          3HD1      LEU  12  -6.749  -0.748   0.277
  340   1HD2  LEU  12          1HD2      LEU  12  -4.630  -2.822   3.256
  341   2HD2  LEU  12          2HD2      LEU  12  -6.344  -2.669   3.640
  342   3HD2  LEU  12          3HD2      LEU  12  -5.837  -3.585   2.221
  343    H    LYS  13           H        LYS  13  -3.984   1.887   1.341
  344    HA   LYS  13           HA       LYS  13  -1.544   2.128  -0.143
  345   1HB   LYS  13          1HB       LYS  13  -2.534   4.281  -0.913
  346   2HB   LYS  13          2HB       LYS  13  -3.562   2.883  -1.182
  347   1HG   LYS  13          1HG       LYS  13  -5.180   4.090  -0.246
  348   2HG   LYS  13          2HG       LYS  13  -4.373   3.762   1.289
  349   1HD   LYS  13          1HD       LYS  13  -4.052   5.946   1.535
  350   2HD   LYS  13          2HD       LYS  13  -2.990   5.902   0.125
  351   1HE   LYS  13          1HE       LYS  13  -5.487   5.925  -1.009
  352   2HE   LYS  13          2HE       LYS  13  -5.702   6.954   0.405
  353   1HZ   LYS  13          1HZ       LYS  13  -3.397   7.883  -0.556
  354   2HZ   LYS  13          2HZ       LYS  13  -4.147   7.413  -1.996
  355   3HZ   LYS  13          3HZ       LYS  13  -4.909   8.521  -0.970
  356    H    ALA  14           H        ALA  14  -2.682   3.281   2.915
  357    HA   ALA  14           HA       ALA  14  -1.233   5.615   3.257
  358   1HB   ALA  14          1HB       ALA  14  -2.230   3.515   5.113
  359   2HB   ALA  14          2HB       ALA  14  -1.101   4.717   5.736
  360   3HB   ALA  14          3HB       ALA  14  -2.631   5.230   5.024
  361    H    ARG  15           H        ARG  15  -0.206   2.342   4.236
  362    HA   ARG  15           HA       ARG  15   2.490   3.178   4.709
  363   1HB   ARG  15          1HB       ARG  15   1.515   1.327   5.971
  364   2HB   ARG  15          2HB       ARG  15   1.282   0.414   4.487
  365   1HG   ARG  15          1HG       ARG  15   3.245  -0.531   4.916
  366   2HG   ARG  15          2HG       ARG  15   3.975   1.008   4.455
  367   1HD   ARG  15          1HD       ARG  15   4.077   1.732   6.714
  368   2HD   ARG  15          2HD       ARG  15   3.058   0.401   7.255
  369    HE   ARG  15           HE       ARG  15   5.510  -0.446   6.015
  370   1HH1  ARG  15          1HH1      ARG  15   4.004   0.541   9.006
  371   2HH1  ARG  15          2HH1      ARG  15   5.171  -0.260  10.003
  372   1HH2  ARG  15          1HH2      ARG  15   7.046  -1.500   7.326
  373   2HH2  ARG  15          2HH2      ARG  15   6.898  -1.419   9.049
  374    H    ASN  16           H        ASN  16   0.902   1.185   2.232
  375    HA   ASN  16           HA       ASN  16   3.058   0.511   0.671
  376   1HB   ASN  16          1HB       ASN  16   0.855  -0.369   0.219
  377   2HB   ASN  16          2HB       ASN  16   0.251   1.230  -0.195
  378   1HD2  ASN  16          2HD2      ASN  16  -0.349  -0.271  -2.083
  379   2HD2  ASN  16          1HD2      ASN  16   0.759  -0.274  -3.409
  380    H    TYR  17           H        TYR  17   1.047   3.442   0.316
  381    HA   TYR  17           HA       TYR  17   2.364   4.607  -1.811
  382   1HB   TYR  17          1HB       TYR  17   0.306   5.541  -0.904
  383   2HB   TYR  17          2HB       TYR  17   1.132   5.976   0.589
  384    HD1  TYR  17           HD1      TYR  17   2.201   6.411  -2.956
  385    HD2  TYR  17           HD2      TYR  17   1.082   8.300   0.688
  386    HE1  TYR  17           HE1      TYR  17   2.783   8.597  -3.917
  387    HE2  TYR  17           HE2      TYR  17   1.660  10.493  -0.264
  388    HH   TYR  17           HH       TYR  17   3.373  10.818  -3.221
  389    H    ALA  18           H        ALA  18   3.197   4.693   1.619
  390    HA   ALA  18           HA       ALA  18   5.330   6.529   1.407
  391   1HB   ALA  18          1HB       ALA  18   4.358   4.615   3.438
  392   2HB   ALA  18          2HB       ALA  18   6.053   5.087   3.556
  393   3HB   ALA  18          3HB       ALA  18   4.791   6.317   3.597
  394    H    LEU  19           H        LEU  19   5.282   2.962   1.427
  395    HA   LEU  19           HA       LEU  19   8.058   2.633   1.122
  396   1HB   LEU  19          1HB       LEU  19   6.210   0.678  -0.158
  397   2HB   LEU  19          2HB       LEU  19   7.663   0.391   0.774
  398    HG   LEU  19           HG       LEU  19   4.929   1.077   1.834
  399   1HD1  LEU  19          1HD1      LEU  19   5.889  -1.330   1.127
  400   2HD1  LEU  19          2HD1      LEU  19   6.464  -1.245   2.792
  401   3HD1  LEU  19          3HD1      LEU  19   4.743  -1.081   2.445
  402   1HD2  LEU  19          1HD2      LEU  19   7.529   0.815   3.341
  403   2HD2  LEU  19          2HD2      LEU  19   6.603   2.299   3.118
  404   3HD2  LEU  19          3HD2      LEU  19   5.929   0.975   4.067
  405    H    LYS  20           H        LYS  20   5.466   2.462  -1.312
  406    HA   LYS  20           HA       LYS  20   6.793   2.103  -3.627
  407   1HB   LYS  20          1HB       LYS  20   4.283   2.896  -3.007
  408   2HB   LYS  20          2HB       LYS  20   4.903   4.371  -3.736
  409   1HG   LYS  20          1HG       LYS  20   4.263   3.460  -5.666
  410   2HG   LYS  20          2HG       LYS  20   5.724   2.480  -5.522
  411   1HD   LYS  20          1HD       LYS  20   4.367   0.707  -5.626
  412   2HD   LYS  20          2HD       LYS  20   3.896   1.118  -3.975
  413   1HE   LYS  20          1HE       LYS  20   1.843   1.035  -4.970
  414   2HE   LYS  20          2HE       LYS  20   2.231   2.738  -5.203
  415   1HZ   LYS  20          1HZ       LYS  20   3.256   1.809  -7.415
  416   2HZ   LYS  20          2HZ       LYS  20   2.135   0.567  -7.166
  417   3HZ   LYS  20          3HZ       LYS  20   1.608   2.170  -7.302
  418    H    GLN  21           H        GLN  21   6.889   5.000  -1.672
  419    HA   GLN  21           HA       GLN  21   8.247   6.554  -3.680
  420   1HB   GLN  21          1HB       GLN  21   6.724   7.657  -2.145
  421   2HB   GLN  21          2HB       GLN  21   7.676   7.117  -0.770
  422   1HG   GLN  21          1HG       GLN  21   9.393   8.603  -1.206
  423   2HG   GLN  21          2HG       GLN  21   8.928   8.800  -2.896
  424   1HE2  GLN  21          2HE2      GLN  21   9.372  11.072  -1.832
  425   2HE2  GLN  21          1HE2      GLN  21   7.942  11.908  -1.340
  426    H    LYS  22           H        LYS  22   9.132   4.925  -0.653
  427    HA   LYS  22           HA       LYS  22  11.904   5.745  -0.959
  428   1HB   LYS  22          1HB       LYS  22  12.201   4.464   1.193
  429   2HB   LYS  22          2HB       LYS  22  11.111   5.843   1.266
  430   1HG   LYS  22          1HG       LYS  22   9.430   4.567   1.937
  431   2HG   LYS  22          2HG       LYS  22   9.667   3.454   0.589
  432   1HD   LYS  22          1HD       LYS  22   9.892   2.291   2.718
  433   2HD   LYS  22          2HD       LYS  22  11.428   2.308   1.849
  434   1HE   LYS  22          1HE       LYS  22  12.137   2.895   3.945
  435   2HE   LYS  22          2HE       LYS  22  11.831   4.488   3.257
  436   1HZ   LYS  22          1HZ       LYS  22   9.478   4.097   4.265
  437   2HZ   LYS  22          2HZ       LYS  22  10.292   3.009   5.271
  438   3HZ   LYS  22          3HZ       LYS  22  10.745   4.639   5.248
  439    H    VAL  23           H        VAL  23   9.964   2.940  -1.618
  440    HA   VAL  23           HA       VAL  23  11.606   0.806  -1.431
  441    HB   VAL  23           HB       VAL  23   9.913   1.418  -3.861
  442   1HG1  VAL  23          1HG1      VAL  23  11.439  -0.971  -2.996
  443   2HG1  VAL  23          2HG1      VAL  23   9.830  -1.244  -3.665
  444   3HG1  VAL  23          3HG1      VAL  23  11.049  -0.399  -4.619
  445   1HG2  VAL  23          1HG2      VAL  23   9.180   0.949  -1.166
  446   2HG2  VAL  23          2HG2      VAL  23   8.132   1.086  -2.577
  447   3HG2  VAL  23          3HG2      VAL  23   8.752  -0.490  -2.090
  448    H    GLN  24           H        GLN  24  11.464   2.663  -4.483
  449    HA   GLN  24           HA       GLN  24  13.781   1.561  -5.588
  450   1HB   GLN  24          1HB       GLN  24  13.771   3.541  -7.092
  451   2HB   GLN  24          2HB       GLN  24  12.206   2.750  -6.974
  452   1HG   GLN  24          1HG       GLN  24  11.513   4.470  -5.332
  453   2HG   GLN  24          2HG       GLN  24  13.048   5.293  -5.604
  454   1HE2  GLN  24          2HE2      GLN  24  11.704   7.097  -6.230
  455   2HE2  GLN  24          1HE2      GLN  24  11.085   7.179  -7.840
  456    H    ALA  25           H        ALA  25  13.336   4.192  -3.338
  457    HA   ALA  25           HA       ALA  25  15.910   5.346  -3.576
  458   1HB   ALA  25          1HB       ALA  25  13.838   6.347  -2.477
  459   2HB   ALA  25          2HB       ALA  25  14.258   5.377  -1.066
  460   3HB   ALA  25          3HB       ALA  25  15.380   6.600  -1.661
  461    H    LEU  26           H        LEU  26  14.580   2.784  -1.545
  462    HA   LEU  26           HA       LEU  26  16.781   2.424   0.155
  463   1HB   LEU  26          1HB       LEU  26  14.786   0.383  -0.833
  464   2HB   LEU  26          2HB       LEU  26  15.879   0.149   0.517
  465    HG   LEU  26           HG       LEU  26  13.754   2.288   0.434
  466   1HD1  LEU  26          1HD1      LEU  26  13.707  -0.501   1.550
  467   2HD1  LEU  26          2HD1      LEU  26  12.613   0.769   2.098
  468   3HD1  LEU  26          3HD1      LEU  26  12.580   0.243   0.415
  469   1HD2  LEU  26          1HD2      LEU  26  15.890   1.541   2.304
  470   2HD2  LEU  26          2HD2      LEU  26  15.044   3.074   2.098
  471   3HD2  LEU  26          3HD2      LEU  26  14.304   1.779   3.040
  472    H    ARG  27           H        ARG  27  15.855   0.380  -2.613
  473    HA   ARG  27           HA       ARG  27  18.238  -1.049  -2.779
  474   1HB   ARG  27          1HB       ARG  27  17.534  -1.430  -5.199
  475   2HB   ARG  27          2HB       ARG  27  16.388  -1.912  -3.956
  476   1HG   ARG  27          1HG       ARG  27  15.702   0.712  -4.528
  477   2HG   ARG  27          2HG       ARG  27  16.104   0.011  -6.097
  478   1HD   ARG  27          1HD       ARG  27  14.622  -1.979  -5.024
  479   2HD   ARG  27          2HD       ARG  27  13.868  -0.575  -4.274
  480    HE   ARG  27           HE       ARG  27  12.919  -0.095  -6.284
  481   1HH1  ARG  27          1HH1      ARG  27  15.720  -2.096  -6.858
  482   2HH1  ARG  27          2HH1      ARG  27  15.435  -2.222  -8.561
  483   1HH2  ARG  27          1HH2      ARG  27  12.543  -0.261  -8.524
  484   2HH2  ARG  27          2HH2      ARG  27  13.633  -1.181  -9.508
  485    H    HIS  28           H        HIS  28  17.418   2.123  -3.969
  486    HA   HIS  28           HA       HIS  28  19.439   2.451  -5.880
  487   1HB   HIS  28          1HB       HIS  28  17.607   4.184  -4.388
  488   2HB   HIS  28          2HB       HIS  28  19.129   4.968  -4.798
  489    HD1  HIS  28           HD1      HIS  28  18.845   6.267  -6.902
  490    HD2  HIS  28           HD2      HIS  28  16.693   2.714  -6.955
  491    HE1  HIS  28           HE1      HIS  28  17.714   6.155  -9.163
  492    H    LYS  29           H        LYS  29  19.496   2.637  -2.394
  493    HA   LYS  29           HA       LYS  29  21.918   4.014  -2.057
  494   1HB   LYS  29          1HB       LYS  29  20.090   3.273  -0.330
  495   2HB   LYS  29          2HB       LYS  29  21.091   1.836  -0.177
  496   1HG   LYS  29          1HG       LYS  29  22.353   4.525   0.062
  497   2HG   LYS  29          2HG       LYS  29  21.435   3.867   1.418
  498   1HD   LYS  29          1HD       LYS  29  23.377   2.038   0.156
  499   2HD   LYS  29          2HD       LYS  29  24.061   3.409   1.030
  500   1HE   LYS  29          1HE       LYS  29  22.203   2.585   2.802
  501   2HE   LYS  29          2HE       LYS  29  22.604   1.050   2.033
  502   1HZ   LYS  29          1HZ       LYS  29  25.015   1.770   2.455
  503   2HZ   LYS  29          2HZ       LYS  29  24.354   2.860   3.566
  504   3HZ   LYS  29          3HZ       LYS  29  24.110   1.197   3.763
  505    H    GLY  30           H        GLY  30  21.343   0.494  -1.826
  506   1HA   GLY  30          1HA       GLY  30  22.910  -0.832  -3.311
  507   2HA   GLY  30          2HA       GLY  30  24.181   0.103  -2.540
  508   1HN   NH2  31          1HN       NH2  31  25.042  -0.637  -0.704
  509   2HN   NH2  31          2HN       NH2  31  24.441  -1.973   0.212
  Start of MODEL   18
    1   1H    ACE   0          1H        ACE   0 -23.114   4.172  -6.265
    2   2H    ACE   0          2H        ACE   0 -23.612   2.501  -5.998
    3   3H    ACE   0          3H        ACE   0 -23.759   3.221  -7.602
    4    H    GLU   1           H        GLU   1 -20.960   4.157  -5.912
    5    HA   GLU   1           HA       GLU   1 -19.300   2.591  -7.716
    6   1HB   GLU   1          1HB       GLU   1 -18.929   5.019  -6.049
    7   2HB   GLU   1          2HB       GLU   1 -17.506   4.041  -6.374
    8   1HG   GLU   1          1HG       GLU   1 -18.369   4.197  -8.851
    9   2HG   GLU   1          2HG       GLU   1 -19.182   5.637  -8.239
   10    H    VAL   2           H        VAL   2 -20.687   1.389  -5.382
   11    HA   VAL   2           HA       VAL   2 -19.195   0.799  -3.195
   12    HB   VAL   2           HB       VAL   2 -20.802  -1.163  -4.832
   13   1HG1  VAL   2          1HG1      VAL   2 -19.412  -1.400  -2.239
   14   2HG1  VAL   2          2HG1      VAL   2 -21.060  -2.026  -2.294
   15   3HG1  VAL   2          3HG1      VAL   2 -19.844  -2.642  -3.413
   16   1HG2  VAL   2          1HG2      VAL   2 -21.514   0.851  -2.739
   17   2HG2  VAL   2          2HG2      VAL   2 -22.299   0.513  -4.283
   18   3HG2  VAL   2          3HG2      VAL   2 -22.483  -0.609  -2.935
   19    H    ALA   3           H        ALA   3 -19.056  -1.081  -6.232
   20    HA   ALA   3           HA       ALA   3 -16.969  -2.771  -5.532
   21   1HB   ALA   3          1HB       ALA   3 -18.531  -2.527  -7.709
   22   2HB   ALA   3          2HB       ALA   3 -17.015  -1.886  -8.345
   23   3HB   ALA   3          3HB       ALA   3 -17.069  -3.512  -7.662
   24    H    GLN   4           H        GLN   4 -16.846   0.426  -7.059
   25    HA   GLN   4           HA       GLN   4 -14.154   0.601  -7.634
   26   1HB   GLN   4          1HB       GLN   4 -16.301   2.336  -7.669
   27   2HB   GLN   4          2HB       GLN   4 -15.221   3.075  -6.494
   28   1HG   GLN   4          1HG       GLN   4 -14.592   2.378  -9.352
   29   2HG   GLN   4          2HG       GLN   4 -14.770   3.989  -8.658
   30   1HE2  GLN   4          2HE2      GLN   4 -12.687   1.316  -9.163
   31   2HE2  GLN   4          1HE2      GLN   4 -11.272   1.992  -8.437
   32    H    LEU   5           H        LEU   5 -15.715   0.649  -4.539
   33    HA   LEU   5           HA       LEU   5 -13.268   1.546  -3.211
   34   1HB   LEU   5          1HB       LEU   5 -15.894   0.874  -1.902
   35   2HB   LEU   5          2HB       LEU   5 -14.575   1.823  -1.243
   36    HG   LEU   5           HG       LEU   5 -16.167   2.711  -3.642
   37   1HD1  LEU   5          1HD1      LEU   5 -16.712   3.068  -0.720
   38   2HD1  LEU   5          2HD1      LEU   5 -17.226   4.275  -1.899
   39   3HD1  LEU   5          3HD1      LEU   5 -17.822   2.619  -2.014
   40   1HD2  LEU   5          1HD2      LEU   5 -14.114   3.934  -1.851
   41   2HD2  LEU   5          2HD2      LEU   5 -14.228   3.961  -3.610
   42   3HD2  LEU   5          3HD2      LEU   5 -15.314   4.957  -2.640
   43    H    GLU   6           H        GLU   6 -15.331  -1.262  -3.593
   44    HA   GLU   6           HA       GLU   6 -14.262  -2.865  -1.553
   45   1HB   GLU   6          1HB       GLU   6 -15.575  -3.537  -4.180
   46   2HB   GLU   6          2HB       GLU   6 -15.048  -4.780  -3.054
   47   1HG   GLU   6          1HG       GLU   6 -16.526  -2.998  -1.512
   48   2HG   GLU   6          2HG       GLU   6 -17.423  -3.152  -3.022
   49    H    LYS   7           H        LYS   7 -13.592  -3.181  -5.047
   50    HA   LYS   7           HA       LYS   7 -11.350  -4.818  -4.766
   51   1HB   LYS   7          1HB       LYS   7 -10.726  -3.717  -7.081
   52   2HB   LYS   7          2HB       LYS   7 -12.086  -4.820  -6.939
   53   1HG   LYS   7          1HG       LYS   7 -13.651  -3.074  -7.022
   54   2HG   LYS   7          2HG       LYS   7 -12.418  -1.845  -6.725
   55   1HD   LYS   7          1HD       LYS   7 -11.439  -2.946  -8.974
   56   2HD   LYS   7          2HD       LYS   7 -13.162  -3.235  -9.225
   57   1HE   LYS   7          1HE       LYS   7 -12.337  -0.533  -8.320
   58   2HE   LYS   7          2HE       LYS   7 -11.966  -0.983  -9.984
   59   1HZ   LYS   7          1HZ       LYS   7 -14.323  -1.531 -10.288
   60   2HZ   LYS   7          2HZ       LYS   7 -14.651  -1.002  -8.715
   61   3HZ   LYS   7          3HZ       LYS   7 -14.099   0.095  -9.878
   62    H    GLU   8           H        GLU   8 -11.682  -1.435  -4.230
   63    HA   GLU   8           HA       GLU   8  -9.070  -0.564  -4.691
   64   1HB   GLU   8          1HB       GLU   8 -11.075   0.863  -4.114
   65   2HB   GLU   8          2HB       GLU   8 -10.829   0.397  -2.436
   66   1HG   GLU   8          1HG       GLU   8  -8.597   1.378  -2.487
   67   2HG   GLU   8          2HG       GLU   8  -8.838   1.842  -4.169
   68    H    VAL   9           H        VAL   9 -10.463  -2.411  -2.079
   69    HA   VAL   9           HA       VAL   9  -8.163  -2.164  -0.361
   70    HB   VAL   9           HB       VAL   9 -10.676  -3.814  -0.243
   71   1HG1  VAL   9          1HG1      VAL   9  -8.115  -4.343   1.120
   72   2HG1  VAL   9          2HG1      VAL   9  -9.546  -4.342   2.151
   73   3HG1  VAL   9          3HG1      VAL   9  -9.458  -5.428   0.765
   74   1HG2  VAL   9          1HG2      VAL   9 -10.730  -1.455   0.462
   75   2HG2  VAL   9          2HG2      VAL   9 -11.063  -2.561   1.793
   76   3HG2  VAL   9          3HG2      VAL   9  -9.479  -1.799   1.656
   77    H    ALA  10           H        ALA  10  -9.577  -4.716  -2.409
   78    HA   ALA  10           HA       ALA  10  -7.757  -6.746  -1.995
   79   1HB   ALA  10          1HB       ALA  10  -9.855  -6.578  -3.568
   80   2HB   ALA  10          2HB       ALA  10  -8.646  -6.190  -4.790
   81   3HB   ALA  10          3HB       ALA  10  -8.560  -7.722  -3.921
   82    H    GLN  11           H        GLN  11  -7.416  -3.768  -3.740
   83    HA   GLN  11           HA       GLN  11  -5.050  -4.349  -5.172
   84   1HB   GLN  11          1HB       GLN  11  -6.340  -2.459  -5.847
   85   2HB   GLN  11          2HB       GLN  11  -6.342  -1.790  -4.225
   86   1HG   GLN  11          1HG       GLN  11  -4.863  -0.472  -5.505
   87   2HG   GLN  11          2HG       GLN  11  -3.858  -1.477  -4.463
   88   1HE2  GLN  11          2HE2      GLN  11  -5.338  -1.535  -7.687
   89   2HE2  GLN  11          1HE2      GLN  11  -3.982  -2.249  -8.485
   90    H    LEU  12           H        LEU  12  -5.321  -2.075  -2.456
   91    HA   LEU  12           HA       LEU  12  -2.785  -1.795  -1.629
   92   1HB   LEU  12          1HB       LEU  12  -4.705  -2.400   0.542
   93   2HB   LEU  12          2HB       LEU  12  -3.605  -1.051   0.359
   94    HG   LEU  12           HG       LEU  12  -6.271  -1.404  -0.993
   95   1HD1  LEU  12          1HD1      LEU  12  -5.921  -0.572   1.469
   96   2HD1  LEU  12          2HD1      LEU  12  -5.539   0.939   0.658
   97   3HD1  LEU  12          3HD1      LEU  12  -7.101   0.169   0.399
   98   1HD2  LEU  12          1HD2      LEU  12  -4.211  -0.290  -2.252
   99   2HD2  LEU  12          2HD2      LEU  12  -5.853   0.323  -2.399
  100   3HD2  LEU  12          3HD2      LEU  12  -4.722   1.097  -1.300
  101    H    GLU  13           H        GLU  13  -4.905  -4.306  -0.217
  102    HA   GLU  13           HA       GLU  13  -2.998  -5.646   1.260
  103   1HB   GLU  13          1HB       GLU  13  -5.367  -6.899  -0.137
  104   2HB   GLU  13          2HB       GLU  13  -4.503  -7.564   1.242
  105   1HG   GLU  13          1HG       GLU  13  -5.323  -5.921   2.693
  106   2HG   GLU  13          2HG       GLU  13  -5.850  -4.891   1.364
  107    H    ALA  14           H        ALA  14  -3.624  -5.819  -2.166
  108    HA   ALA  14           HA       ALA  14  -1.907  -8.139  -2.514
  109   1HB   ALA  14          1HB       ALA  14  -3.595  -6.491  -4.361
  110   2HB   ALA  14          2HB       ALA  14  -2.402  -7.626  -4.990
  111   3HB   ALA  14          3HB       ALA  14  -3.719  -8.206  -3.971
  112    H    GLU  15           H        GLU  15  -1.848  -4.669  -3.082
  113    HA   GLU  15           HA       GLU  15   0.789  -4.809  -4.297
  114   1HB   GLU  15          1HB       GLU  15  -1.089  -3.255  -5.063
  115   2HB   GLU  15          2HB       GLU  15  -0.746  -2.307  -3.623
  116   1HG   GLU  15          1HG       GLU  15   0.475  -1.236  -5.268
  117   2HG   GLU  15          2HG       GLU  15   1.676  -2.264  -4.487
  118    H    ASN  16           H        ASN  16  -0.713  -3.171  -1.483
  119    HA   ASN  16           HA       ASN  16   1.524  -2.091  -0.317
  120   1HB   ASN  16          1HB       ASN  16  -0.811  -1.825   0.501
  121   2HB   ASN  16          2HB       ASN  16  -0.743  -3.456   1.157
  122   1HD2  ASN  16          2HD2      ASN  16  -1.333  -1.997   3.056
  123   2HD2  ASN  16          1HD2      ASN  16  -0.014  -1.451   4.027
  124    H    TYR  17           H        TYR  17   0.591  -5.441  -0.481
  125    HA   TYR  17           HA       TYR  17   2.468  -6.322   1.519
  126   1HB   TYR  17          1HB       TYR  17   0.470  -7.622   1.254
  127   2HB   TYR  17          2HB       TYR  17   0.743  -7.797  -0.476
  128    HD1  TYR  17           HD1      TYR  17   2.298  -8.646   2.807
  129    HD2  TYR  17           HD2      TYR  17   1.772  -9.718  -1.276
  130    HE1  TYR  17           HE1      TYR  17   3.482 -10.762   3.217
  131    HE2  TYR  17           HE2      TYR  17   2.953 -11.838  -0.878
  132    HH   TYR  17           HH       TYR  17   4.797 -12.599   0.968
  133    H    GLN  18           H        GLN  18   2.251  -6.441  -2.023
  134    HA   GLN  18           HA       GLN  18   4.515  -7.896  -2.609
  135   1HB   GLN  18          1HB       GLN  18   2.838  -5.950  -4.001
  136   2HB   GLN  18          2HB       GLN  18   4.499  -5.953  -4.575
  137   1HG   GLN  18          1HG       GLN  18   3.986  -8.608  -4.483
  138   2HG   GLN  18          2HG       GLN  18   2.392  -7.967  -4.875
  139   1HE2  GLN  18          2HE2      GLN  18   5.674  -8.345  -5.936
  140   2HE2  GLN  18          1HE2      GLN  18   5.411  -7.891  -7.582
  141    H    LEU  19           H        LEU  19   4.268  -4.441  -1.881
  142    HA   LEU  19           HA       LEU  19   7.042  -3.909  -2.313
  143   1HB   LEU  19          1HB       LEU  19   4.957  -2.345  -0.796
  144   2HB   LEU  19          2HB       LEU  19   6.548  -1.749  -1.224
  145    HG   LEU  19           HG       LEU  19   4.381  -2.516  -3.182
  146   1HD1  LEU  19          1HD1      LEU  19   4.333  -0.321  -1.683
  147   2HD1  LEU  19          2HD1      LEU  19   5.429   0.242  -2.943
  148   3HD1  LEU  19          3HD1      LEU  19   3.816  -0.328  -3.369
  149   1HD2  LEU  19          1HD2      LEU  19   7.138  -1.369  -3.597
  150   2HD2  LEU  19          2HD2      LEU  19   6.554  -2.948  -4.124
  151   3HD2  LEU  19          3HD2      LEU  19   5.896  -1.478  -4.844
  152    H    GLU  20           H        GLU  20   5.025  -4.219   0.608
  153    HA   GLU  20           HA       GLU  20   6.928  -3.845   2.551
  154   1HB   GLU  20          1HB       GLU  20   4.416  -4.293   2.803
  155   2HB   GLU  20          2HB       GLU  20   4.836  -6.000   2.772
  156   1HG   GLU  20          1HG       GLU  20   6.557  -5.074   4.649
  157   2HG   GLU  20          2HG       GLU  20   5.176  -4.008   4.892
  158    H    GLN  21           H        GLN  21   6.511  -6.583   0.448
  159    HA   GLN  21           HA       GLN  21   8.276  -8.288   1.979
  160   1HB   GLN  21          1HB       GLN  21   6.254  -8.828   0.259
  161   2HB   GLN  21          2HB       GLN  21   7.635  -9.000  -0.816
  162   1HG   GLN  21          1HG       GLN  21   8.421 -10.392   1.417
  163   2HG   GLN  21          2HG       GLN  21   6.694 -10.738   1.316
  164   1HE2  GLN  21          2HE2      GLN  21   9.763 -10.960  -0.339
  165   2HE2  GLN  21          1HE2      GLN  21   9.290 -12.183  -1.464
  166    H    GLU  22           H        GLU  22   8.469  -6.100  -0.725
  167    HA   GLU  22           HA       GLU  22  11.133  -7.016  -1.457
  168   1HB   GLU  22          1HB       GLU  22   9.192  -6.079  -3.007
  169   2HB   GLU  22          2HB       GLU  22   9.934  -4.537  -2.601
  170   1HG   GLU  22          1HG       GLU  22  11.875  -6.547  -3.404
  171   2HG   GLU  22          2HG       GLU  22  10.674  -6.210  -4.649
  172    H    VAL  23           H        VAL  23   9.595  -4.452   0.318
  173    HA   VAL  23           HA       VAL  23  11.881  -2.736   0.443
  174    HB   VAL  23           HB       VAL  23   9.562  -2.728   2.369
  175   1HG1  VAL  23          1HG1      VAL  23  11.858  -1.198   2.239
  176   2HG1  VAL  23          2HG1      VAL  23  10.636  -0.183   1.473
  177   3HG1  VAL  23          3HG1      VAL  23  10.379  -0.791   3.108
  178   1HG2  VAL  23          1HG2      VAL  23   9.407  -2.428  -0.441
  179   2HG2  VAL  23          2HG2      VAL  23   8.145  -2.147   0.759
  180   3HG2  VAL  23          3HG2      VAL  23   9.205  -0.826   0.269
  181    H    ALA  24           H        ALA  24  10.692  -5.430   2.292
  182    HA   ALA  24           HA       ALA  24  11.970  -5.036   4.730
  183   1HB   ALA  24          1HB       ALA  24  10.303  -6.828   4.159
  184   2HB   ALA  24          2HB       ALA  24  11.625  -7.714   3.398
  185   3HB   ALA  24          3HB       ALA  24  11.679  -7.361   5.125
  186    H    GLN  25           H        GLN  25  13.278  -5.968   1.648
  187    HA   GLN  25           HA       GLN  25  15.832  -6.728   2.846
  188   1HB   GLN  25          1HB       GLN  25  14.686  -6.949   0.075
  189   2HB   GLN  25          2HB       GLN  25  16.408  -7.159   0.365
  190   1HG   GLN  25          1HG       GLN  25  15.404  -8.819   2.231
  191   2HG   GLN  25          2HG       GLN  25  14.149  -8.930   0.998
  192   1HE2  GLN  25          2HE2      GLN  25  16.263 -10.819   1.980
  193   2HE2  GLN  25          1HE2      GLN  25  17.072 -11.348   0.548
  194    H    LEU  26           H        LEU  26  14.360  -4.212   0.905
  195    HA   LEU  26           HA       LEU  26  16.670  -2.911   0.013
  196   1HB   LEU  26          1HB       LEU  26  13.973  -1.751   0.717
  197   2HB   LEU  26          2HB       LEU  26  15.225  -0.901  -0.168
  198    HG   LEU  26           HG       LEU  26  14.031  -3.482  -1.154
  199   1HD1  LEU  26          1HD1      LEU  26  12.857  -0.822  -1.092
  200   2HD1  LEU  26          2HD1      LEU  26  12.999  -1.470  -2.726
  201   3HD1  LEU  26          3HD1      LEU  26  12.126  -2.377  -1.491
  202   1HD2  LEU  26          1HD2      LEU  26  16.266  -2.578  -1.997
  203   2HD2  LEU  26          2HD2      LEU  26  15.037  -2.963  -3.202
  204   3HD2  LEU  26          3HD2      LEU  26  15.322  -1.285  -2.738
  205    H    GLU  27           H        GLU  27  14.578  -1.738   2.655
  206    HA   GLU  27           HA       GLU  27  16.833  -0.310   3.796
  207   1HB   GLU  27          1HB       GLU  27  15.156   0.599   5.371
  208   2HB   GLU  27          2HB       GLU  27  14.707   0.850   3.688
  209   1HG   GLU  27          1HG       GLU  27  13.042  -0.796   3.771
  210   2HG   GLU  27          2HG       GLU  27  13.668  -1.473   5.273
  211    H    HIS  28           H        HIS  28  17.574  -2.801   4.005
  212    HA   HIS  28           HA       HIS  28  16.632  -4.236   6.257
  213   1HB   HIS  28          1HB       HIS  28  17.971  -5.158   4.303
  214   2HB   HIS  28          2HB       HIS  28  19.394  -4.451   5.060
  215    HD1  HIS  28           HD1      HIS  28  18.997  -7.556   4.645
  216    HD2  HIS  28           HD2      HIS  28  18.238  -5.450   8.146
  217    HE1  HIS  28           HE1      HIS  28  19.138  -9.236   6.530
  218    H    GLU  29           H        GLU  29  19.785  -2.615   5.839
  219    HA   GLU  29           HA       GLU  29  20.104  -2.455   8.714
  220   1HB   GLU  29          1HB       GLU  29  22.317  -1.486   8.172
  221   2HB   GLU  29          2HB       GLU  29  22.047  -3.040   7.397
  222   1HG   GLU  29          1HG       GLU  29  21.283  -0.694   5.804
  223   2HG   GLU  29          2HG       GLU  29  23.005  -0.854   6.145
  224    H    GLY  30           H        GLY  30  19.320  -0.351   6.037
  225   1HA   GLY  30          1HA       GLY  30  17.873   1.564   6.851
  226   2HA   GLY  30          2HA       GLY  30  19.232   1.938   7.900
  227   1HN   NH2  31          1HN       NH2  31  21.286   1.394   6.018
  228   2HN   NH2  31          2HN       NH2  31  21.248   2.640   4.823
  229   1H    ACE   0          1H        ACE   0 -17.998  -4.921   3.683
  230   2H    ACE   0          2H        ACE   0 -18.546  -3.771   4.903
  231   3H    ACE   0          3H        ACE   0 -16.955  -3.583   4.165
  232    H    GLU   1           H        GLU   1 -19.345  -1.773   4.264
  233    HA   GLU   1           HA       GLU   1 -20.150  -1.608   1.480
  234   1HB   GLU   1          1HB       GLU   1 -20.917   0.316   3.664
  235   2HB   GLU   1          2HB       GLU   1 -21.774  -0.028   2.168
  236   1HG   GLU   1          1HG       GLU   1 -21.455  -1.916   4.490
  237   2HG   GLU   1          2HG       GLU   1 -22.904  -0.993   4.094
  238    H    VAL   2           H        VAL   2 -20.481   1.165   1.255
  239    HA   VAL   2           HA       VAL   2 -18.238   2.018   0.019
  240    HB   VAL   2           HB       VAL   2 -20.143   3.774   1.562
  241   1HG1  VAL   2          1HG1      VAL   2 -17.741   4.469   0.269
  242   2HG1  VAL   2          2HG1      VAL   2 -19.051   4.996  -0.789
  243   3HG1  VAL   2          3HG1      VAL   2 -18.992   5.549   0.885
  244   1HG2  VAL   2          1HG2      VAL   2 -20.272   2.400  -1.052
  245   2HG2  VAL   2          2HG2      VAL   2 -21.561   2.822   0.075
  246   3HG2  VAL   2          3HG2      VAL   2 -20.883   4.053  -0.991
  247    H    GLN   3           H        GLN   3 -18.915   3.821   2.948
  248    HA   GLN   3           HA       GLN   3 -16.271   4.475   3.471
  249   1HB   GLN   3          1HB       GLN   3 -17.030   5.249   5.635
  250   2HB   GLN   3          2HB       GLN   3 -18.220   5.666   4.411
  251   1HG   GLN   3          1HG       GLN   3 -19.300   3.388   5.164
  252   2HG   GLN   3          2HG       GLN   3 -18.391   3.711   6.639
  253   1HE2  GLN   3          2HE2      GLN   3 -18.670   5.971   7.503
  254   2HE2  GLN   3          1HE2      GLN   3 -20.271   6.622   7.478
  255    H    ALA   4           H        ALA   4 -18.209   1.771   4.645
  256    HA   ALA   4           HA       ALA   4 -16.557   0.819   6.653
  257   1HB   ALA   4          1HB       ALA   4 -18.826  -0.102   5.284
  258   2HB   ALA   4          2HB       ALA   4 -17.637  -1.402   5.204
  259   3HB   ALA   4          3HB       ALA   4 -18.122  -0.744   6.767
  260    H    LEU   5           H        LEU   5 -16.161   0.590   3.193
  261    HA   LEU   5           HA       LEU   5 -13.747  -1.065   3.591
  262   1HB   LEU   5          1HB       LEU   5 -15.725  -0.818   1.391
  263   2HB   LEU   5          2HB       LEU   5 -14.065  -1.120   0.935
  264    HG   LEU   5           HG       LEU   5 -15.494  -2.866   2.924
  265   1HD1  LEU   5          1HD1      LEU   5 -16.585  -2.592   0.548
  266   2HD1  LEU   5          2HD1      LEU   5 -15.262  -3.653   0.063
  267   3HD1  LEU   5          3HD1      LEU   5 -16.412  -4.182   1.292
  268   1HD2  LEU   5          1HD2      LEU   5 -12.952  -2.944   1.390
  269   2HD2  LEU   5          2HD2      LEU   5 -13.293  -3.445   3.047
  270   3HD2  LEU   5          3HD2      LEU   5 -13.784  -4.469   1.698
  271    H    LYS   6           H        LYS   6 -15.093   1.697   1.943
  272    HA   LYS   6           HA       LYS   6 -12.935   2.711   0.580
  273   1HB   LYS   6          1HB       LYS   6 -15.081   3.666   0.261
  274   2HB   LYS   6          2HB       LYS   6 -15.264   3.995   1.973
  275   1HG   LYS   6          1HG       LYS   6 -14.371   6.017   1.757
  276   2HG   LYS   6          2HG       LYS   6 -12.966   5.373   0.906
  277   1HD   LYS   6          1HD       LYS   6 -13.781   5.942  -1.107
  278   2HD   LYS   6          2HD       LYS   6 -15.413   5.408  -0.699
  279   1HE   LYS   6          1HE       LYS   6 -14.210   7.968   0.330
  280   2HE   LYS   6          2HE       LYS   6 -15.143   7.874  -1.164
  281   1HZ   LYS   6          1HZ       LYS   6 -16.809   6.672   0.509
  282   2HZ   LYS   6          2HZ       LYS   6 -16.040   7.714   1.597
  283   3HZ   LYS   6          3HZ       LYS   6 -16.825   8.341   0.237
  284    H    LYS   7           H        LYS   7 -13.837   3.244   3.978
  285    HA   LYS   7           HA       LYS   7 -11.619   4.990   4.474
  286   1HB   LYS   7          1HB       LYS   7 -12.416   5.166   6.675
  287   2HB   LYS   7          2HB       LYS   7 -13.863   4.973   5.697
  288   1HG   LYS   7          1HG       LYS   7 -13.453   2.415   6.290
  289   2HG   LYS   7          2HG       LYS   7 -12.652   3.143   7.684
  290   1HD   LYS   7          1HD       LYS   7 -15.309   4.227   6.959
  291   2HD   LYS   7          2HD       LYS   7 -15.274   2.593   7.624
  292   1HE   LYS   7          1HE       LYS   7 -13.672   3.749   9.390
  293   2HE   LYS   7          2HE       LYS   7 -14.567   5.184   8.896
  294   1HZ   LYS   7          1HZ       LYS   7 -15.973   2.710   9.686
  295   2HZ   LYS   7          2HZ       LYS   7 -15.456   3.826  10.848
  296   3HZ   LYS   7          3HZ       LYS   7 -16.560   4.296   9.653
  297    H    ARG   8           H        ARG   8 -12.128   1.567   4.587
  298    HA   ARG   8           HA       ARG   8 -10.038   0.954   6.399
  299   1HB   ARG   8          1HB       ARG   8 -10.550  -1.244   6.042
  300   2HB   ARG   8          2HB       ARG   8 -12.044  -0.498   5.511
  301   1HG   ARG   8          1HG       ARG   8 -11.852  -1.444   3.520
  302   2HG   ARG   8          2HG       ARG   8 -10.269  -0.705   3.278
  303   1HD   ARG   8          1HD       ARG   8  -9.431  -2.772   3.346
  304   2HD   ARG   8          2HD       ARG   8  -9.767  -2.750   5.074
  305    HE   ARG   8           HE       ARG   8 -11.275  -4.133   3.013
  306   1HH1  ARG   8          1HH1      ARG   8 -11.142  -3.083   6.343
  307   2HH1  ARG   8          2HH1      ARG   8 -12.314  -4.237   6.880
  308   1HH2  ARG   8          1HH2      ARG   8 -12.816  -5.645   3.724
  309   2HH2  ARG   8          2HH2      ARG   8 -13.263  -5.690   5.397
  310    H    VAL   9           H        VAL   9 -10.097   1.747   3.029
  311    HA   VAL   9           HA       VAL   9  -7.698   0.581   2.169
  312    HB   VAL   9           HB       VAL   9  -9.011   3.179   1.313
  313   1HG1  VAL   9          1HG1      VAL   9  -6.416   2.608   0.754
  314   2HG1  VAL   9          2HG1      VAL   9  -7.227   1.831  -0.602
  315   3HG1  VAL   9          3HG1      VAL   9  -7.474   3.548  -0.295
  316   1HG2  VAL   9          1HG2      VAL   9 -10.002   0.715   1.021
  317   2HG2  VAL   9          2HG2      VAL   9 -10.250   2.000  -0.161
  318   3HG2  VAL   9          3HG2      VAL   9  -8.992   0.792  -0.423
  319    H    GLN  10           H        GLN  10  -8.359   3.423   4.080
  320    HA   GLN  10           HA       GLN  10  -5.798   4.610   3.921
  321   1HB   GLN  10          1HB       GLN  10  -7.696   4.825   6.254
  322   2HB   GLN  10          2HB       GLN  10  -6.495   5.998   5.731
  323   1HG   GLN  10          1HG       GLN  10  -7.823   6.230   3.602
  324   2HG   GLN  10          2HG       GLN  10  -9.084   5.282   4.389
  325   1HE2  GLN  10          2HE2      GLN  10 -10.604   6.871   4.476
  326   2HE2  GLN  10          1HE2      GLN  10 -10.447   8.295   5.441
  327    H    ALA  11           H        ALA  11  -6.843   1.753   5.406
  328    HA   ALA  11           HA       ALA  11  -4.835   1.832   7.504
  329   1HB   ALA  11          1HB       ALA  11  -7.297   0.733   7.462
  330   2HB   ALA  11          2HB       ALA  11  -6.314  -0.671   7.045
  331   3HB   ALA  11          3HB       ALA  11  -6.004   0.209   8.541
  332    H    LEU  12           H        LEU  12  -5.379   0.331   4.389
  333    HA   LEU  12           HA       LEU  12  -3.037  -1.376   4.698
  334   1HB   LEU  12          1HB       LEU  12  -4.485  -1.209   2.103
  335   2HB   LEU  12          2HB       LEU  12  -3.792  -2.577   2.896
  336    HG   LEU  12           HG       LEU  12  -6.279  -1.274   3.958
  337   1HD1  LEU  12          1HD1      LEU  12  -6.090  -2.544   1.462
  338   2HD1  LEU  12          2HD1      LEU  12  -6.853  -3.695   2.554
  339   3HD1  LEU  12          3HD1      LEU  12  -7.545  -2.089   2.341
  340   1HD2  LEU  12          1HD2      LEU  12  -5.033  -3.990   4.277
  341   2HD2  LEU  12          2HD2      LEU  12  -5.221  -2.740   5.508
  342   3HD2  LEU  12          3HD2      LEU  12  -6.641  -3.561   4.860
  343    H    LYS  13           H        LYS  13  -3.951   0.327   1.752
  344    HA   LYS  13           HA       LYS  13  -1.571   0.840   0.670
  345   1HB   LYS  13          1HB       LYS  13  -4.047   1.433   0.080
  346   2HB   LYS  13          2HB       LYS  13  -3.597   2.978   0.637
  347   1HG   LYS  13          1HG       LYS  13  -3.334   2.927  -1.722
  348   2HG   LYS  13          2HG       LYS  13  -1.735   3.000  -0.973
  349   1HD   LYS  13          1HD       LYS  13  -1.174   0.975  -1.701
  350   2HD   LYS  13          2HD       LYS  13  -2.750   0.293  -1.379
  351   1HE   LYS  13          1HE       LYS  13  -3.641   1.225  -3.407
  352   2HE   LYS  13          2HE       LYS  13  -2.137   2.090  -3.714
  353   1HZ   LYS  13          1HZ       LYS  13  -2.214  -0.860  -3.515
  354   2HZ   LYS  13          2HZ       LYS  13  -2.514  -0.060  -4.976
  355   3HZ   LYS  13          3HZ       LYS  13  -1.019   0.116  -4.208
  356    H    ALA  14           H        ALA  14  -3.032   2.558   3.352
  357    HA   ALA  14           HA       ALA  14  -1.826   4.937   3.282
  358   1HB   ALA  14          1HB       ALA  14  -2.678   3.186   5.472
  359   2HB   ALA  14          2HB       ALA  14  -1.499   4.415   5.932
  360   3HB   ALA  14          3HB       ALA  14  -3.022   4.893   5.184
  361    H    ARG  15           H        ARG  15  -0.341   1.899   4.163
  362    HA   ARG  15           HA       ARG  15   2.238   3.152   4.650
  363   1HB   ARG  15          1HB       ARG  15   1.436   1.294   6.101
  364   2HB   ARG  15          2HB       ARG  15   1.484   0.225   4.705
  365   1HG   ARG  15          1HG       ARG  15   3.969   1.694   5.322
  366   2HG   ARG  15          2HG       ARG  15   3.484   0.434   6.459
  367   1HD   ARG  15          1HD       ARG  15   3.628  -0.011   3.491
  368   2HD   ARG  15          2HD       ARG  15   5.003  -0.280   4.562
  369    HE   ARG  15           HE       ARG  15   2.792  -2.010   4.186
  370   1HH1  ARG  15          1HH1      ARG  15   4.983  -0.841   6.639
  371   2HH1  ARG  15          2HH1      ARG  15   4.829  -2.253   7.627
  372   1HH2  ARG  15          1HH2      ARG  15   2.588  -3.870   5.487
  373   2HH2  ARG  15          2HH2      ARG  15   3.470  -3.973   6.974
  374    H    ASN  16           H        ASN  16   0.528   1.312   2.212
  375    HA   ASN  16           HA       ASN  16   2.702   0.441   0.670
  376   1HB   ASN  16          1HB       ASN  16   0.384  -0.329   0.388
  377   2HB   ASN  16          2HB       ASN  16  -0.064   1.257  -0.212
  378   1HD2  ASN  16          2HD2      ASN  16  -0.621  -0.888  -1.704
  379   2HD2  ASN  16          1HD2      ASN  16   0.393  -0.927  -3.099
  380    H    TYR  17           H        TYR  17   0.714   3.374   0.370
  381    HA   TYR  17           HA       TYR  17   1.942   4.505  -1.828
  382   1HB   TYR  17          1HB       TYR  17  -0.110   5.405  -0.879
  383   2HB   TYR  17          2HB       TYR  17   0.750   5.895   0.578
  384    HD1  TYR  17           HD1      TYR  17   0.562   6.496  -3.086
  385    HD2  TYR  17           HD2      TYR  17   1.764   8.004   0.706
  386    HE1  TYR  17           HE1      TYR  17   1.039   8.679  -4.112
  387    HE2  TYR  17           HE2      TYR  17   2.243  10.191  -0.309
  388    HH   TYR  17           HH       TYR  17   1.122  11.289  -2.930
  389    H    ALA  18           H        ALA  18   3.038   4.378   1.482
  390    HA   ALA  18           HA       ALA  18   5.057   6.384   1.195
  391   1HB   ALA  18          1HB       ALA  18   4.144   4.555   3.296
  392   2HB   ALA  18          2HB       ALA  18   5.871   4.906   3.331
  393   3HB   ALA  18          3HB       ALA  18   4.703   6.224   3.406
  394    H    LEU  19           H        LEU  19   5.227   2.820   1.474
  395    HA   LEU  19           HA       LEU  19   7.973   2.623   0.984
  396   1HB   LEU  19          1HB       LEU  19   6.196   0.472  -0.045
  397   2HB   LEU  19          2HB       LEU  19   7.700   0.348   0.841
  398    HG   LEU  19           HG       LEU  19   4.972   0.949   1.962
  399   1HD1  LEU  19          1HD1      LEU  19   6.410  -1.440   1.540
  400   2HD1  LEU  19          2HD1      LEU  19   6.388  -1.135   3.277
  401   3HD1  LEU  19          3HD1      LEU  19   4.874  -1.217   2.376
  402   1HD2  LEU  19          1HD2      LEU  19   6.960   2.282   2.945
  403   2HD2  LEU  19          2HD2      LEU  19   5.886   1.418   4.044
  404   3HD2  LEU  19          3HD2      LEU  19   7.452   0.729   3.621
  405    H    LYS  20           H        LYS  20   5.245   2.260  -1.264
  406    HA   LYS  20           HA       LYS  20   6.505   1.754  -3.621
  407   1HB   LYS  20          1HB       LYS  20   3.973   2.401  -2.928
  408   2HB   LYS  20          2HB       LYS  20   4.440   3.857  -3.796
  409   1HG   LYS  20          1HG       LYS  20   4.378   2.839  -5.784
  410   2HG   LYS  20          2HG       LYS  20   5.159   1.380  -5.172
  411   1HD   LYS  20          1HD       LYS  20   3.186   0.358  -5.271
  412   2HD   LYS  20          2HD       LYS  20   2.618   1.432  -3.992
  413   1HE   LYS  20          1HE       LYS  20   2.609   2.419  -6.801
  414   2HE   LYS  20          2HE       LYS  20   1.367   1.271  -6.303
  415   1HZ   LYS  20          1HZ       LYS  20   1.564   3.245  -4.333
  416   2HZ   LYS  20          2HZ       LYS  20   1.471   4.030  -5.830
  417   3HZ   LYS  20          3HZ       LYS  20   0.268   2.933  -5.373
  418    H    GLN  21           H        GLN  21   6.515   4.755  -1.857
  419    HA   GLN  21           HA       GLN  21   7.650   6.252  -4.053
  420   1HB   GLN  21          1HB       GLN  21   6.096   7.358  -2.545
  421   2HB   GLN  21          2HB       GLN  21   7.145   7.014  -1.177
  422   1HG   GLN  21          1HG       GLN  21   8.290   8.873  -1.527
  423   2HG   GLN  21          2HG       GLN  21   8.633   8.396  -3.190
  424   1HE2  GLN  21          2HE2      GLN  21   8.258  10.157  -4.356
  425   2HE2  GLN  21          1HE2      GLN  21   6.802  11.085  -4.333
  426    H    LYS  22           H        LYS  22   8.751   4.904  -0.971
  427    HA   LYS  22           HA       LYS  22  11.438   5.918  -1.412
  428   1HB   LYS  22          1HB       LYS  22  11.907   4.838   0.799
  429   2HB   LYS  22          2HB       LYS  22  10.658   6.076   0.830
  430   1HG   LYS  22          1HG       LYS  22   9.156   4.647   1.611
  431   2HG   LYS  22          2HG       LYS  22   9.513   3.484   0.334
  432   1HD   LYS  22          1HD       LYS  22   9.963   2.405   2.404
  433   2HD   LYS  22          2HD       LYS  22  11.523   2.785   1.671
  434   1HE   LYS  22          1HE       LYS  22  11.333   3.268   4.133
  435   2HE   LYS  22          2HE       LYS  22  11.865   4.618   3.131
  436   1HZ   LYS  22          1HZ       LYS  22   8.999   4.387   3.612
  437   2HZ   LYS  22          2HZ       LYS  22   9.953   4.846   4.933
  438   3HZ   LYS  22          3HZ       LYS  22   9.972   5.767   3.514
  439    H    VAL  23           H        VAL  23   9.792   3.176  -2.425
  440    HA   VAL  23           HA       VAL  23  11.361   1.002  -1.972
  441    HB   VAL  23           HB       VAL  23  10.371   1.666  -4.744
  442   1HG1  VAL  23          1HG1      VAL  23  11.885  -0.399  -4.097
  443   2HG1  VAL  23          2HG1      VAL  23  10.342  -1.061  -3.556
  444   3HG1  VAL  23          3HG1      VAL  23  10.547  -0.561  -5.235
  445   1HG2  VAL  23          1HG2      VAL  23   8.895   0.811  -2.296
  446   2HG2  VAL  23          2HG2      VAL  23   8.440   1.976  -3.536
  447   3HG2  VAL  23          3HG2      VAL  23   8.360   0.251  -3.880
  448    H    GLN  24           H        GLN  24  11.860   3.044  -4.858
  449    HA   GLN  24           HA       GLN  24  14.435   1.979  -5.381
  450   1HB   GLN  24          1HB       GLN  24  13.508   4.666  -6.358
  451   2HB   GLN  24          2HB       GLN  24  14.566   3.513  -7.158
  452   1HG   GLN  24          1HG       GLN  24  12.478   1.981  -7.166
  453   2HG   GLN  24          2HG       GLN  24  11.593   3.481  -6.896
  454   1HE2  GLN  24          2HE2      GLN  24  13.172   5.208  -8.405
  455   2HE2  GLN  24          1HE2      GLN  24  12.998   4.801 -10.075
  456    H    ALA  25           H        ALA  25  13.269   4.704  -3.531
  457    HA   ALA  25           HA       ALA  25  15.684   6.116  -3.260
  458   1HB   ALA  25          1HB       ALA  25  13.443   7.004  -2.669
  459   2HB   ALA  25          2HB       ALA  25  13.442   5.958  -1.249
  460   3HB   ALA  25          3HB       ALA  25  14.645   7.239  -1.401
  461    H    LEU  26           H        LEU  26  14.409   3.306  -1.621
  462    HA   LEU  26           HA       LEU  26  16.229   3.321   0.563
  463   1HB   LEU  26          1HB       LEU  26  14.522   1.173  -0.677
  464   2HB   LEU  26          2HB       LEU  26  15.573   0.855   0.690
  465    HG   LEU  26           HG       LEU  26  13.187   2.692   0.607
  466   1HD1  LEU  26          1HD1      LEU  26  13.824   0.093   1.951
  467   2HD1  LEU  26          2HD1      LEU  26  12.578   1.172   2.578
  468   3HD1  LEU  26          3HD1      LEU  26  12.438   0.514   0.947
  469   1HD2  LEU  26          1HD2      LEU  26  15.480   2.570   2.487
  470   2HD2  LEU  26          2HD2      LEU  26  14.484   3.942   2.001
  471   3HD2  LEU  26          3HD2      LEU  26  13.866   2.774   3.169
  472    H    ARG  27           H        ARG  27  16.082   1.119  -2.242
  473    HA   ARG  27           HA       ARG  27  18.560  -0.067  -1.903
  474   1HB   ARG  27          1HB       ARG  27  18.459  -0.411  -4.443
  475   2HB   ARG  27          2HB       ARG  27  17.152  -1.079  -3.477
  476   1HG   ARG  27          1HG       ARG  27  16.265   1.459  -4.128
  477   2HG   ARG  27          2HG       ARG  27  17.082   0.900  -5.588
  478   1HD   ARG  27          1HD       ARG  27  15.670  -1.314  -4.869
  479   2HD   ARG  27          2HD       ARG  27  14.590  -0.023  -4.345
  480    HE   ARG  27           HE       ARG  27  15.248   0.731  -6.848
  481   1HH1  ARG  27          1HH1      ARG  27  14.055  -2.269  -5.523
  482   2HH1  ARG  27          2HH1      ARG  27  13.225  -2.725  -6.973
  483   1HH2  ARG  27          1HH2      ARG  27  14.158   0.133  -8.757
  484   2HH2  ARG  27          2HH2      ARG  27  13.285  -1.361  -8.809
  485    H    HIS  28           H        HIS  28  17.745   2.909  -3.633
  486    HA   HIS  28           HA       HIS  28  20.261   3.393  -4.768
  487   1HB   HIS  28          1HB       HIS  28  17.973   4.580  -5.148
  488   2HB   HIS  28          2HB       HIS  28  18.491   5.630  -3.834
  489    HD1  HIS  28           HD1      HIS  28  18.401   5.739  -7.310
  490    HD2  HIS  28           HD2      HIS  28  21.419   6.424  -4.539
  491    HE1  HIS  28           HE1      HIS  28  20.129   7.166  -8.481
  492    H    LYS  29           H        LYS  29  18.862   4.635  -1.734
  493    HA   LYS  29           HA       LYS  29  21.282   5.928  -0.939
  494   1HB   LYS  29          1HB       LYS  29  18.679   6.154  -0.181
  495   2HB   LYS  29          2HB       LYS  29  19.334   5.228   1.163
  496   1HG   LYS  29          1HG       LYS  29  20.984   6.935   1.589
  497   2HG   LYS  29          2HG       LYS  29  20.453   7.842   0.172
  498   1HD   LYS  29          1HD       LYS  29  18.377   8.370   1.164
  499   2HD   LYS  29          2HD       LYS  29  18.596   7.170   2.440
  500   1HE   LYS  29          1HE       LYS  29  19.038   9.214   3.487
  501   2HE   LYS  29          2HE       LYS  29  20.633   8.551   3.135
  502   1HZ   LYS  29          1HZ       LYS  29  19.215  10.593   1.509
  503   2HZ   LYS  29          2HZ       LYS  29  20.500  10.895   2.567
  504   3HZ   LYS  29          3HZ       LYS  29  20.749   9.962   1.178
  505    H    GLY  30           H        GLY  30  22.994   4.553  -0.786
  506   1HA   GLY  30          1HA       GLY  30  23.734   3.275   1.432
  507   2HA   GLY  30          2HA       GLY  30  22.723   2.051   0.679
  508   1HN   NH2  31          1HN       NH2  31  25.212   4.326  -0.449
  509   2HN   NH2  31          2HN       NH2  31  26.149   3.145  -1.293
  Start of MODEL   19
    1   1H    ACE   0          1H        ACE   0 -16.532   5.409  -8.657
    2   2H    ACE   0          2H        ACE   0 -16.311   3.680  -8.925
    3   3H    ACE   0          3H        ACE   0 -15.356   4.510  -7.697
    4    H    GLU   1           H        GLU   1 -17.755   2.385  -7.983
    5    HA   GLU   1           HA       GLU   1 -19.550   3.473  -5.971
    6   1HB   GLU   1          1HB       GLU   1 -19.988   1.845  -8.108
    7   2HB   GLU   1          2HB       GLU   1 -19.876   0.665  -6.809
    8   1HG   GLU   1          1HG       GLU   1 -21.526   2.445  -5.665
    9   2HG   GLU   1          2HG       GLU   1 -21.940   2.692  -7.360
   10    H    VAL   2           H        VAL   2 -20.267   1.705  -4.288
   11    HA   VAL   2           HA       VAL   2 -18.102   1.338  -2.520
   12    HB   VAL   2           HB       VAL   2 -20.889   0.200  -2.556
   13   1HG1  VAL   2          1HG1      VAL   2 -18.765  -0.123  -0.433
   14   2HG1  VAL   2          2HG1      VAL   2 -20.477  -0.468  -0.189
   15   3HG1  VAL   2          3HG1      VAL   2 -19.548  -1.402  -1.361
   16   1HG2  VAL   2          1HG2      VAL   2 -19.508   2.453  -1.101
   17   2HG2  VAL   2          2HG2      VAL   2 -20.952   2.523  -2.110
   18   3HG2  VAL   2          3HG2      VAL   2 -21.026   1.775  -0.516
   19    H    ALA   3           H        ALA   3 -19.789  -0.821  -4.721
   20    HA   ALA   3           HA       ALA   3 -18.544  -3.216  -3.991
   21   1HB   ALA   3          1HB       ALA   3 -20.505  -2.783  -5.595
   22   2HB   ALA   3          2HB       ALA   3 -19.258  -2.551  -6.821
   23   3HB   ALA   3          3HB       ALA   3 -19.387  -4.094  -5.974
   24    H    GLN   4           H        GLN   4 -17.530  -0.514  -5.955
   25    HA   GLN   4           HA       GLN   4 -15.218  -1.769  -7.069
   26   1HB   GLN   4          1HB       GLN   4 -16.310   1.001  -6.957
   27   2HB   GLN   4          2HB       GLN   4 -14.592   0.821  -7.280
   28   1HG   GLN   4          1HG       GLN   4 -16.700  -0.620  -8.857
   29   2HG   GLN   4          2HG       GLN   4 -16.108   0.983  -9.287
   30   1HE2  GLN   4          2HE2      GLN   4 -14.572   0.989 -10.748
   31   2HE2  GLN   4          1HE2      GLN   4 -13.416  -0.264 -11.025
   32    H    LEU   5           H        LEU   5 -15.907   0.201  -4.223
   33    HA   LEU   5           HA       LEU   5 -13.359   0.785  -3.333
   34   1HB   LEU   5          1HB       LEU   5 -15.952   0.259  -1.974
   35   2HB   LEU   5          2HB       LEU   5 -14.515   0.246  -0.981
   36    HG   LEU   5           HG       LEU   5 -15.584   2.582  -2.577
   37   1HD1  LEU   5          1HD1      LEU   5 -15.575   1.753   0.260
   38   2HD1  LEU   5          2HD1      LEU   5 -15.419   3.458  -0.118
   39   3HD1  LEU   5          3HD1      LEU   5 -16.823   2.566  -0.681
   40   1HD2  LEU   5          1HD2      LEU   5 -13.042   2.320  -2.547
   41   2HD2  LEU   5          2HD2      LEU   5 -13.709   3.836  -1.951
   42   3HD2  LEU   5          3HD2      LEU   5 -13.159   2.607  -0.813
   43    H    GLU   6           H        GLU   6 -15.260  -2.160  -2.826
   44    HA   GLU   6           HA       GLU   6 -13.522  -3.614  -1.232
   45   1HB   GLU   6          1HB       GLU   6 -15.693  -4.233  -3.121
   46   2HB   GLU   6          2HB       GLU   6 -14.541  -5.539  -2.896
   47   1HG   GLU   6          1HG       GLU   6 -15.023  -4.753  -0.324
   48   2HG   GLU   6          2HG       GLU   6 -16.590  -4.505  -1.091
   49    H    LYS   7           H        LYS   7 -13.670  -3.346  -4.741
   50    HA   LYS   7           HA       LYS   7 -11.512  -5.083  -5.262
   51   1HB   LYS   7          1HB       LYS   7 -12.917  -2.968  -6.877
   52   2HB   LYS   7          2HB       LYS   7 -11.529  -3.835  -7.519
   53   1HG   LYS   7          1HG       LYS   7 -13.415  -4.978  -8.323
   54   2HG   LYS   7          2HG       LYS   7 -12.791  -5.968  -7.004
   55   1HD   LYS   7          1HD       LYS   7 -14.473  -4.902  -5.505
   56   2HD   LYS   7          2HD       LYS   7 -15.164  -4.098  -6.919
   57   1HE   LYS   7          1HE       LYS   7 -15.036  -6.707  -7.733
   58   2HE   LYS   7          2HE       LYS   7 -15.403  -6.873  -6.017
   59   1HZ   LYS   7          1HZ       LYS   7 -17.140  -5.001  -6.643
   60   2HZ   LYS   7          2HZ       LYS   7 -17.023  -5.739  -8.161
   61   3HZ   LYS   7          3HZ       LYS   7 -17.494  -6.648  -6.814
   62    H    GLU   8           H        GLU   8 -11.735  -1.749  -4.367
   63    HA   GLU   8           HA       GLU   8  -9.122  -0.976  -5.202
   64   1HB   GLU   8          1HB       GLU   8 -11.073   0.566  -4.668
   65   2HB   GLU   8          2HB       GLU   8 -10.720   0.275  -2.973
   66   1HG   GLU   8          1HG       GLU   8  -9.083   1.764  -2.984
   67   2HG   GLU   8          2HG       GLU   8  -8.332   1.017  -4.394
   68    H    VAL   9           H        VAL   9 -10.411  -2.748  -2.557
   69    HA   VAL   9           HA       VAL   9  -8.238  -2.305  -0.737
   70    HB   VAL   9           HB       VAL   9 -10.278  -4.535  -0.725
   71   1HG1  VAL   9          1HG1      VAL   9  -8.001  -4.362   0.750
   72   2HG1  VAL   9          2HG1      VAL   9  -9.161  -3.550   1.802
   73   3HG1  VAL   9          3HG1      VAL   9  -9.467  -5.200   1.260
   74   1HG2  VAL   9          1HG2      VAL   9 -10.798  -1.844  -0.504
   75   2HG2  VAL   9          2HG2      VAL   9 -11.814  -3.146   0.113
   76   3HG2  VAL   9          3HG2      VAL   9 -10.648  -2.358   1.176
   77    H    ALA  10           H        ALA  10  -9.321  -5.175  -2.568
   78    HA   ALA  10           HA       ALA  10  -7.127  -6.797  -2.106
   79   1HB   ALA  10          1HB       ALA  10  -9.385  -7.164  -3.451
   80   2HB   ALA  10          2HB       ALA  10  -8.326  -6.849  -4.825
   81   3HB   ALA  10          3HB       ALA  10  -7.967  -8.177  -3.721
   82    H    GLN  11           H        GLN  11  -7.494  -4.065  -4.220
   83    HA   GLN  11           HA       GLN  11  -5.293  -4.466  -5.915
   84   1HB   GLN  11          1HB       GLN  11  -6.965  -2.804  -6.435
   85   2HB   GLN  11          2HB       GLN  11  -6.617  -1.925  -4.954
   86   1HG   GLN  11          1HG       GLN  11  -4.465  -2.336  -6.982
   87   2HG   GLN  11          2HG       GLN  11  -5.681  -1.083  -7.224
   88   1HE2  GLN  11          2HE2      GLN  11  -5.823   0.618  -5.702
   89   2HE2  GLN  11          1HE2      GLN  11  -4.475   1.036  -4.707
   90    H    LEU  12           H        LEU  12  -5.533  -2.447  -2.965
   91    HA   LEU  12           HA       LEU  12  -2.727  -1.964  -2.864
   92   1HB   LEU  12          1HB       LEU  12  -4.820  -1.683  -0.704
   93   2HB   LEU  12          2HB       LEU  12  -3.179  -1.080  -0.602
   94    HG   LEU  12           HG       LEU  12  -5.113  -0.173  -2.726
   95   1HD1  LEU  12          1HD1      LEU  12  -4.507   1.108  -0.067
   96   2HD1  LEU  12          2HD1      LEU  12  -5.470   1.822  -1.361
   97   3HD1  LEU  12          3HD1      LEU  12  -6.034   0.368  -0.538
   98   1HD2  LEU  12          1HD2      LEU  12  -2.418   0.734  -1.766
   99   2HD2  LEU  12          2HD2      LEU  12  -2.925   0.315  -3.403
  100   3HD2  LEU  12          3HD2      LEU  12  -3.497   1.807  -2.657
  101    H    GLU  13           H        GLU  13  -4.848  -4.403  -1.532
  102    HA   GLU  13           HA       GLU  13  -3.156  -5.443   0.443
  103   1HB   GLU  13          1HB       GLU  13  -5.356  -6.646  -1.217
  104   2HB   GLU  13          2HB       GLU  13  -4.448  -7.626  -0.073
  105   1HG   GLU  13          1HG       GLU  13  -5.143  -6.219   1.753
  106   2HG   GLU  13          2HG       GLU  13  -5.951  -5.117   0.640
  107    H    ALA  14           H        ALA  14  -3.075  -5.694  -3.008
  108    HA   ALA  14           HA       ALA  14  -1.190  -7.912  -2.973
  109   1HB   ALA  14          1HB       ALA  14  -2.429  -6.340  -5.226
  110   2HB   ALA  14          2HB       ALA  14  -1.250  -7.630  -5.459
  111   3HB   ALA  14          3HB       ALA  14  -2.813  -7.986  -4.724
  112    H    GLU  15           H        GLU  15  -1.270  -4.445  -3.548
  113    HA   GLU  15           HA       GLU  15   1.509  -4.336  -4.339
  114   1HB   GLU  15          1HB       GLU  15  -0.258  -2.779  -5.224
  115   2HB   GLU  15          2HB       GLU  15  -0.323  -2.041  -3.629
  116   1HG   GLU  15          1HG       GLU  15   1.053  -0.708  -5.069
  117   2HG   GLU  15          2HG       GLU  15   2.061  -1.457  -3.833
  118    H    ASN  16           H        ASN  16  -0.379  -2.962  -1.636
  119    HA   ASN  16           HA       ASN  16   1.654  -1.973  -0.088
  120   1HB   ASN  16          1HB       ASN  16  -0.698  -1.669   0.473
  121   2HB   ASN  16          2HB       ASN  16  -0.862  -3.384   0.828
  122   1HD2  ASN  16          2HD2      ASN  16  -1.691  -2.448   2.856
  123   2HD2  ASN  16          1HD2      ASN  16  -0.561  -2.108   4.115
  124    H    TYR  17           H        TYR  17   0.728  -5.305  -0.557
  125    HA   TYR  17           HA       TYR  17   2.402  -6.291   1.582
  126   1HB   TYR  17          1HB       TYR  17   0.640  -7.737   1.337
  127   2HB   TYR  17          2HB       TYR  17   0.515  -7.464  -0.395
  128    HD1  TYR  17           HD1      TYR  17   2.356  -9.317   2.220
  129    HD2  TYR  17           HD2      TYR  17   1.604  -8.901  -1.946
  130    HE1  TYR  17           HE1      TYR  17   3.490 -11.460   1.806
  131    HE2  TYR  17           HE2      TYR  17   2.734 -11.043  -2.372
  132    HH   TYR  17           HH       TYR  17   3.173 -13.229  -0.841
  133    H    GLN  18           H        GLN  18   2.521  -6.089  -1.942
  134    HA   GLN  18           HA       GLN  18   4.825  -7.630  -2.354
  135   1HB   GLN  18          1HB       GLN  18   3.114  -6.608  -4.045
  136   2HB   GLN  18          2HB       GLN  18   4.218  -5.241  -4.057
  137   1HG   GLN  18          1HG       GLN  18   5.179  -8.032  -4.562
  138   2HG   GLN  18          2HG       GLN  18   4.499  -7.037  -5.849
  139   1HE2  GLN  18          2HE2      GLN  18   5.523  -4.943  -6.223
  140   2HE2  GLN  18          1HE2      GLN  18   7.227  -4.793  -5.977
  141    H    LEU  19           H        LEU  19   4.426  -4.359  -1.231
  142    HA   LEU  19           HA       LEU  19   7.243  -3.745  -1.602
  143   1HB   LEU  19          1HB       LEU  19   5.012  -2.119  -0.393
  144   2HB   LEU  19          2HB       LEU  19   6.647  -1.546  -0.651
  145    HG   LEU  19           HG       LEU  19   4.632  -2.291  -2.770
  146   1HD1  LEU  19          1HD1      LEU  19   5.082   0.097  -1.402
  147   2HD1  LEU  19          2HD1      LEU  19   5.864   0.307  -2.968
  148   3HD1  LEU  19          3HD1      LEU  19   4.157  -0.126  -2.886
  149   1HD2  LEU  19          1HD2      LEU  19   7.572  -1.991  -2.879
  150   2HD2  LEU  19          2HD2      LEU  19   6.489  -2.949  -3.888
  151   3HD2  LEU  19          3HD2      LEU  19   6.645  -1.214  -4.163
  152    H    GLU  20           H        GLU  20   4.943  -3.927   1.118
  153    HA   GLU  20           HA       GLU  20   6.633  -3.463   3.221
  154   1HB   GLU  20          1HB       GLU  20   4.064  -4.153   3.060
  155   2HB   GLU  20          2HB       GLU  20   4.715  -5.713   3.543
  156   1HG   GLU  20          1HG       GLU  20   4.962  -3.110   5.027
  157   2HG   GLU  20          2HG       GLU  20   4.005  -4.515   5.490
  158    H    GLN  21           H        GLN  21   6.488  -6.296   1.204
  159    HA   GLN  21           HA       GLN  21   8.234  -7.803   2.986
  160   1HB   GLN  21          1HB       GLN  21   6.233  -8.538   1.207
  161   2HB   GLN  21          2HB       GLN  21   7.715  -9.008   0.387
  162   1HG   GLN  21          1HG       GLN  21   7.320 -10.905   1.562
  163   2HG   GLN  21          2HG       GLN  21   8.286 -10.031   2.750
  164   1HE2  GLN  21          2HE2      GLN  21   7.035  -8.711   4.320
  165   2HE2  GLN  21          1HE2      GLN  21   5.548  -9.362   4.909
  166    H    GLU  22           H        GLU  22   8.350  -5.980   0.021
  167    HA   GLU  22           HA       GLU  22  10.976  -6.954  -0.706
  168   1HB   GLU  22          1HB       GLU  22   9.155  -6.213  -2.338
  169   2HB   GLU  22          2HB       GLU  22   9.562  -4.565  -1.879
  170   1HG   GLU  22          1HG       GLU  22  10.993  -4.662  -3.584
  171   2HG   GLU  22          2HG       GLU  22  12.012  -5.576  -2.472
  172    H    VAL  23           H        VAL  23   9.571  -4.164   0.876
  173    HA   VAL  23           HA       VAL  23  11.810  -2.467   0.815
  174    HB   VAL  23           HB       VAL  23   9.734  -2.584   3.004
  175   1HG1  VAL  23          1HG1      VAL  23  11.949  -1.122   3.029
  176   2HG1  VAL  23          2HG1      VAL  23  10.953  -0.060   2.034
  177   3HG1  VAL  23          3HG1      VAL  23  10.416  -0.512   3.651
  178   1HG2  VAL  23          1HG2      VAL  23   9.218  -2.255   0.309
  179   2HG2  VAL  23          2HG2      VAL  23   8.175  -1.752   1.640
  180   3HG2  VAL  23          3HG2      VAL  23   9.305  -0.603   0.921
  181    H    ALA  24           H        ALA  24  10.925  -5.119   2.920
  182    HA   ALA  24           HA       ALA  24  12.719  -4.630   5.022
  183   1HB   ALA  24          1HB       ALA  24  11.171  -6.950   4.047
  184   2HB   ALA  24          2HB       ALA  24  12.556  -7.306   5.079
  185   3HB   ALA  24          3HB       ALA  24  11.272  -6.247   5.662
  186    H    GLN  25           H        GLN  25  13.180  -5.951   1.839
  187    HA   GLN  25           HA       GLN  25  15.861  -6.900   2.486
  188   1HB   GLN  25          1HB       GLN  25  14.192  -7.058  -0.024
  189   2HB   GLN  25          2HB       GLN  25  15.857  -7.617   0.063
  190   1HG   GLN  25          1HG       GLN  25  14.919  -8.977   2.122
  191   2HG   GLN  25          2HG       GLN  25  13.399  -8.774   1.252
  192   1HE2  GLN  25          2HE2      GLN  25  14.697 -11.236   1.744
  193   2HE2  GLN  25          1HE2      GLN  25  15.137 -11.917   0.218
  194    H    LEU  26           H        LEU  26  14.236  -4.348   0.707
  195    HA   LEU  26           HA       LEU  26  16.384  -3.348  -0.763
  196   1HB   LEU  26          1HB       LEU  26  14.029  -1.912   0.460
  197   2HB   LEU  26          2HB       LEU  26  15.147  -1.166  -0.665
  198    HG   LEU  26           HG       LEU  26  13.565  -3.631  -1.363
  199   1HD1  LEU  26          1HD1      LEU  26  12.338  -1.327  -0.739
  200   2HD1  LEU  26          2HD1      LEU  26  12.724  -1.017  -2.432
  201   3HD1  LEU  26          3HD1      LEU  26  11.764  -2.429  -1.991
  202   1HD2  LEU  26          1HD2      LEU  26  15.709  -2.617  -2.603
  203   2HD2  LEU  26          2HD2      LEU  26  14.382  -3.404  -3.459
  204   3HD2  LEU  26          3HD2      LEU  26  14.449  -1.644  -3.362
  205    H    GLU  27           H        GLU  27  15.191  -2.199   2.400
  206    HA   GLU  27           HA       GLU  27  17.675  -0.742   2.814
  207   1HB   GLU  27          1HB       GLU  27  16.555   0.078   4.878
  208   2HB   GLU  27          2HB       GLU  27  15.650   0.419   3.410
  209   1HG   GLU  27          1HG       GLU  27  13.887  -0.715   4.128
  210   2HG   GLU  27          2HG       GLU  27  14.872  -2.112   4.561
  211    H    HIS  28           H        HIS  28  18.332  -3.315   2.700
  212    HA   HIS  28           HA       HIS  28  18.287  -4.533   5.322
  213   1HB   HIS  28          1HB       HIS  28  18.168  -5.829   3.156
  214   2HB   HIS  28          2HB       HIS  28  19.862  -5.423   2.902
  215    HD1  HIS  28           HD1      HIS  28  18.182  -8.260   3.760
  216    HD2  HIS  28           HD2      HIS  28  21.125  -6.111   5.753
  217    HE1  HIS  28           HE1      HIS  28  19.268  -9.875   5.376
  218    H    GLU  29           H        GLU  29  20.894  -3.537   3.095
  219    HA   GLU  29           HA       GLU  29  22.817  -3.530   5.249
  220   1HB   GLU  29          1HB       GLU  29  23.153  -4.113   2.704
  221   2HB   GLU  29          2HB       GLU  29  23.392  -2.378   2.550
  222   1HG   GLU  29          1HG       GLU  29  24.907  -3.714   4.696
  223   2HG   GLU  29          2HG       GLU  29  25.368  -4.115   3.043
  224    H    GLY  30           H        GLY  30  20.920  -1.203   3.462
  225   1HA   GLY  30          1HA       GLY  30  22.380   1.089   4.404
  226   2HA   GLY  30          2HA       GLY  30  20.843   1.109   3.553
  227   1HN   NH2  31          1HN       NH2  31  22.181   2.092   6.274
  228   2HN   NH2  31          2HN       NH2  31  20.858   1.947   7.375
  229   1H    ACE   0          1H        ACE   0 -20.631   4.120  -4.348
  230   2H    ACE   0          2H        ACE   0 -19.721   5.485  -4.993
  231   3H    ACE   0          3H        ACE   0 -20.618   5.657  -3.485
  232    H    GLU   1           H        GLU   1 -18.063   6.368  -3.341
  233    HA   GLU   1           HA       GLU   1 -16.440   4.126  -2.420
  234   1HB   GLU   1          1HB       GLU   1 -15.349   6.741  -1.842
  235   2HB   GLU   1          2HB       GLU   1 -14.647   5.440  -2.816
  236   1HG   GLU   1          1HG       GLU   1 -16.137   6.230  -4.707
  237   2HG   GLU   1          2HG       GLU   1 -16.470   7.653  -3.719
  238    H    VAL   2           H        VAL   2 -18.854   5.758  -1.168
  239    HA   VAL   2           HA       VAL   2 -18.326   6.920   1.086
  240    HB   VAL   2           HB       VAL   2 -20.537   6.198   0.709
  241   1HG1  VAL   2          1HG1      VAL   2 -19.191   3.638   0.399
  242   2HG1  VAL   2          2HG1      VAL   2 -20.696   3.523   1.310
  243   3HG1  VAL   2          3HG1      VAL   2 -20.697   4.216  -0.312
  244   1HG2  VAL   2          1HG2      VAL   2 -19.338   5.998   3.199
  245   2HG2  VAL   2          2HG2      VAL   2 -21.069   6.084   2.875
  246   3HG2  VAL   2          3HG2      VAL   2 -20.283   4.517   3.057
  247    H    GLN   3           H        GLN   3 -16.858   6.802   2.470
  248    HA   GLN   3           HA       GLN   3 -14.859   5.154   2.977
  249   1HB   GLN   3          1HB       GLN   3 -16.291   7.071   4.552
  250   2HB   GLN   3          2HB       GLN   3 -15.829   5.723   5.580
  251   1HG   GLN   3          1HG       GLN   3 -13.806   6.590   5.747
  252   2HG   GLN   3          2HG       GLN   3 -13.575   6.324   4.021
  253   1HE2  GLN   3          2HE2      GLN   3 -15.697   8.562   5.755
  254   2HE2  GLN   3          1HE2      GLN   3 -15.043  10.000   5.056
  255    H    ALA   4           H        ALA   4 -17.879   4.086   2.795
  256    HA   ALA   4           HA       ALA   4 -18.456   2.275   4.767
  257   1HB   ALA   4          1HB       ALA   4 -18.758   2.111   1.760
  258   2HB   ALA   4          2HB       ALA   4 -19.476   0.932   2.855
  259   3HB   ALA   4          3HB       ALA   4 -19.972   2.622   2.930
  260    H    LEU   5           H        LEU   5 -16.498   1.900   1.924
  261    HA   LEU   5           HA       LEU   5 -14.979  -0.262   3.231
  262   1HB   LEU   5          1HB       LEU   5 -16.097  -0.055   0.488
  263   2HB   LEU   5          2HB       LEU   5 -14.522  -0.786   0.658
  264    HG   LEU   5           HG       LEU   5 -16.822  -1.753   2.322
  265   1HD1  LEU   5          1HD1      LEU   5 -16.241  -2.471  -0.542
  266   2HD1  LEU   5          2HD1      LEU   5 -17.213  -3.468   0.539
  267   3HD1  LEU   5          3HD1      LEU   5 -17.742  -1.836   0.132
  268   1HD2  LEU   5          1HD2      LEU   5 -14.450  -2.463   2.741
  269   2HD2  LEU   5          2HD2      LEU   5 -15.585  -3.776   2.428
  270   3HD2  LEU   5          3HD2      LEU   5 -14.481  -3.243   1.159
  271    H    LYS   6           H        LYS   6 -15.069   2.834   1.972
  272    HA   LYS   6           HA       LYS   6 -12.399   2.956   0.923
  273   1HB   LYS   6          1HB       LYS   6 -13.804   4.399  -0.127
  274   2HB   LYS   6          2HB       LYS   6 -14.765   4.658   1.299
  275   1HG   LYS   6          1HG       LYS   6 -13.364   6.357   2.059
  276   2HG   LYS   6          2HG       LYS   6 -12.046   5.862   0.981
  277   1HD   LYS   6          1HD       LYS   6 -12.895   7.598  -0.253
  278   2HD   LYS   6          2HD       LYS   6 -13.889   6.262  -0.870
  279   1HE   LYS   6          1HE       LYS   6 -15.271   8.210  -0.368
  280   2HE   LYS   6          2HE       LYS   6 -15.681   6.872   0.711
  281   1HZ   LYS   6          1HZ       LYS   6 -13.710   8.322   1.999
  282   2HZ   LYS   6          2HZ       LYS   6 -14.759   9.481   1.353
  283   3HZ   LYS   6          3HZ       LYS   6 -15.357   8.275   2.378
  284    H    LYS   7           H        LYS   7 -13.928   3.223   4.010
  285    HA   LYS   7           HA       LYS   7 -11.808   4.788   5.205
  286   1HB   LYS   7          1HB       LYS   7 -12.984   4.592   7.239
  287   2HB   LYS   7          2HB       LYS   7 -14.236   4.691   6.014
  288   1HG   LYS   7          1HG       LYS   7 -14.108   2.075   6.115
  289   2HG   LYS   7          2HG       LYS   7 -13.424   2.392   7.712
  290   1HD   LYS   7          1HD       LYS   7 -15.921   3.811   6.912
  291   2HD   LYS   7          2HD       LYS   7 -16.023   2.108   7.371
  292   1HE   LYS   7          1HE       LYS   7 -15.455   2.517   9.544
  293   2HE   LYS   7          2HE       LYS   7 -14.485   3.931   9.138
  294   1HZ   LYS   7          1HZ       LYS   7 -17.400   4.031   8.771
  295   2HZ   LYS   7          2HZ       LYS   7 -16.758   4.213  10.325
  296   3HZ   LYS   7          3HZ       LYS   7 -16.318   5.288   9.097
  297    H    ARG   8           H        ARG   8 -12.410   1.517   4.416
  298    HA   ARG   8           HA       ARG   8 -10.480   0.459   6.307
  299   1HB   ARG   8          1HB       ARG   8 -11.261  -1.662   5.731
  300   2HB   ARG   8          2HB       ARG   8 -12.697  -0.660   5.613
  301   1HG   ARG   8          1HG       ARG   8 -13.014  -1.327   3.522
  302   2HG   ARG   8          2HG       ARG   8 -11.428  -0.704   3.063
  303   1HD   ARG   8          1HD       ARG   8 -10.399  -2.738   3.298
  304   2HD   ARG   8          2HD       ARG   8 -11.556  -3.302   4.502
  305    HE   ARG   8           HE       ARG   8 -12.651  -2.965   1.858
  306   1HH1  ARG   8          1HH1      ARG   8 -11.053  -5.150   4.061
  307   2HH1  ARG   8          2HH1      ARG   8 -11.605  -6.574   3.247
  308   1HH2  ARG   8          1HH2      ARG   8 -13.377  -4.841   0.784
  309   2HH2  ARG   8          2HH2      ARG   8 -12.923  -6.400   1.389
  310    H    VAL   9           H        VAL   9 -10.716   1.298   2.928
  311    HA   VAL   9           HA       VAL   9  -8.472  -0.119   1.971
  312    HB   VAL   9           HB       VAL   9  -9.653   2.480   0.964
  313   1HG1  VAL   9          1HG1      VAL   9  -7.287   1.924   0.219
  314   2HG1  VAL   9          2HG1      VAL   9  -7.990   0.538  -0.617
  315   3HG1  VAL   9          3HG1      VAL   9  -8.479   2.174  -1.056
  316   1HG2  VAL   9          1HG2      VAL   9 -10.857   0.028   1.059
  317   2HG2  VAL   9          2HG2      VAL   9 -11.244   1.308  -0.091
  318   3HG2  VAL   9          3HG2      VAL   9 -10.127   0.022  -0.547
  319    H    GLN  10           H        GLN  10  -8.819   2.920   3.659
  320    HA   GLN  10           HA       GLN  10  -6.320   4.053   3.118
  321   1HB   GLN  10          1HB       GLN  10  -7.729   4.311   5.767
  322   2HB   GLN  10          2HB       GLN  10  -6.714   5.493   4.954
  323   1HG   GLN  10          1HG       GLN  10  -8.691   5.142   3.127
  324   2HG   GLN  10          2HG       GLN  10  -9.566   4.915   4.641
  325   1HE2  GLN  10          2HE2      GLN  10  -9.360   6.614   6.255
  326   2HE2  GLN  10          1HE2      GLN  10  -9.169   8.248   5.731
  327    H    ALA  11           H        ALA  11  -7.185   1.352   5.078
  328    HA   ALA  11           HA       ALA  11  -4.825   1.431   6.728
  329   1HB   ALA  11          1HB       ALA  11  -6.889  -0.728   6.332
  330   2HB   ALA  11          2HB       ALA  11  -5.600  -0.765   7.534
  331   3HB   ALA  11          3HB       ALA  11  -6.853   0.474   7.621
  332    H    LEU  12           H        LEU  12  -5.115   0.823   3.536
  333    HA   LEU  12           HA       LEU  12  -3.075  -1.303   3.573
  334   1HB   LEU  12          1HB       LEU  12  -4.530  -0.644   1.065
  335   2HB   LEU  12          2HB       LEU  12  -3.902  -2.179   1.618
  336    HG   LEU  12           HG       LEU  12  -6.238  -1.005   3.057
  337   1HD1  LEU  12          1HD1      LEU  12  -6.342  -2.359   0.374
  338   2HD1  LEU  12          2HD1      LEU  12  -7.727  -2.191   1.452
  339   3HD1  LEU  12          3HD1      LEU  12  -6.942  -0.755   0.796
  340   1HD2  LEU  12          1HD2      LEU  12  -5.001  -3.670   2.624
  341   2HD2  LEU  12          2HD2      LEU  12  -5.648  -2.947   4.096
  342   3HD2  LEU  12          3HD2      LEU  12  -6.745  -3.593   2.876
  343    H    LYS  13           H        LYS  13  -4.093   1.602   1.796
  344    HA   LYS  13           HA       LYS  13  -1.537   1.885   0.517
  345   1HB   LYS  13          1HB       LYS  13  -2.492   4.035  -0.324
  346   2HB   LYS  13          2HB       LYS  13  -3.450   2.614  -0.711
  347   1HG   LYS  13          1HG       LYS  13  -5.179   3.793   0.055
  348   2HG   LYS  13          2HG       LYS  13  -4.548   3.424   1.661
  349   1HD   LYS  13          1HD       LYS  13  -4.324   5.610   2.002
  350   2HD   LYS  13          2HD       LYS  13  -3.066   5.612   0.765
  351   1HE   LYS  13          1HE       LYS  13  -5.292   5.670  -0.773
  352   2HE   LYS  13          2HE       LYS  13  -5.851   6.559   0.643
  353   1HZ   LYS  13          1HZ       LYS  13  -3.689   7.868   0.369
  354   2HZ   LYS  13          2HZ       LYS  13  -3.639   7.223  -1.193
  355   3HZ   LYS  13          3HZ       LYS  13  -4.947   8.184  -0.718
  356    H    ALA  14           H        ALA  14  -2.882   2.892   3.508
  357    HA   ALA  14           HA       ALA  14  -1.569   5.296   3.987
  358   1HB   ALA  14          1HB       ALA  14  -2.571   3.107   5.748
  359   2HB   ALA  14          2HB       ALA  14  -1.601   4.404   6.447
  360   3HB   ALA  14          3HB       ALA  14  -3.109   4.781   5.614
  361    H    ARG  15           H        ARG  15  -0.498   2.080   5.108
  362    HA   ARG  15           HA       ARG  15   2.117   2.998   5.759
  363   1HB   ARG  15          1HB       ARG  15   0.937   1.025   6.800
  364   2HB   ARG  15          2HB       ARG  15   1.249   0.141   5.313
  365   1HG   ARG  15          1HG       ARG  15   2.878  -0.367   7.076
  366   2HG   ARG  15          2HG       ARG  15   3.631   0.338   5.645
  367   1HD   ARG  15          1HD       ARG  15   4.485   1.243   7.806
  368   2HD   ARG  15          2HD       ARG  15   3.832   2.465   6.714
  369    HE   ARG  15           HE       ARG  15   1.901   1.494   8.597
  370   1HH1  ARG  15          1HH1      ARG  15   4.511   3.763   8.121
  371   2HH1  ARG  15          2HH1      ARG  15   3.951   4.855   9.343
  372   1HH2  ARG  15          1HH2      ARG  15   1.163   2.930  10.203
  373   2HH2  ARG  15          2HH2      ARG  15   2.050   4.383  10.525
  374    H    ASN  16           H        ASN  16   0.704   1.307   3.007
  375    HA   ASN  16           HA       ASN  16   3.072   0.654   1.664
  376   1HB   ASN  16          1HB       ASN  16   0.925  -0.300   1.023
  377   2HB   ASN  16          2HB       ASN  16   0.332   1.286   0.545
  378   1HD2  ASN  16          2HD2      ASN  16  -0.057  -0.105  -1.425
  379   2HD2  ASN  16          1HD2      ASN  16   1.197  -0.123  -2.614
  380    H    TYR  17           H        TYR  17   1.056   3.565   1.525
  381    HA   TYR  17           HA       TYR  17   2.269   4.904  -0.561
  382   1HB   TYR  17          1HB       TYR  17   0.254   5.728   0.554
  383   2HB   TYR  17          2HB       TYR  17   1.184   6.082   2.006
  384    HD1  TYR  17           HD1      TYR  17   2.985   7.856   1.882
  385    HD2  TYR  17           HD2      TYR  17   0.111   7.289  -1.204
  386    HE1  TYR  17           HE1      TYR  17   3.466  10.111   1.027
  387    HE2  TYR  17           HE2      TYR  17   0.585   9.542  -2.069
  388    HH   TYR  17           HH       TYR  17   2.595  11.166  -1.972
  389    H    ALA  18           H        ALA  18   3.335   4.595   2.779
  390    HA   ALA  18           HA       ALA  18   5.442   6.496   2.594
  391   1HB   ALA  18          1HB       ALA  18   4.250   5.241   4.660
  392   2HB   ALA  18          2HB       ALA  18   5.735   4.297   4.535
  393   3HB   ALA  18          3HB       ALA  18   5.818   6.043   4.773
  394    H    LEU  19           H        LEU  19   5.390   2.934   2.442
  395    HA   LEU  19           HA       LEU  19   8.165   2.670   1.950
  396   1HB   LEU  19          1HB       LEU  19   6.302   0.640   0.838
  397   2HB   LEU  19          2HB       LEU  19   7.801   0.421   1.714
  398    HG   LEU  19           HG       LEU  19   5.100   1.069   2.880
  399   1HD1  LEU  19          1HD1      LEU  19   6.057  -1.335   2.169
  400   2HD1  LEU  19          2HD1      LEU  19   6.717  -1.215   3.800
  401   3HD1  LEU  19          3HD1      LEU  19   4.977  -1.081   3.540
  402   1HD2  LEU  19          1HD2      LEU  19   7.603   1.873   3.864
  403   2HD2  LEU  19          2HD2      LEU  19   6.056   1.885   4.711
  404   3HD2  LEU  19          3HD2      LEU  19   7.118   0.483   4.835
  405    H    LYS  20           H        LYS  20   5.355   2.558  -0.228
  406    HA   LYS  20           HA       LYS  20   6.544   2.152  -2.650
  407   1HB   LYS  20          1HB       LYS  20   4.047   2.809  -1.861
  408   2HB   LYS  20          2HB       LYS  20   4.532   4.320  -2.616
  409   1HG   LYS  20          1HG       LYS  20   4.901   3.259  -4.705
  410   2HG   LYS  20          2HG       LYS  20   4.751   1.654  -3.988
  411   1HD   LYS  20          1HD       LYS  20   2.372   2.869  -3.308
  412   2HD   LYS  20          2HD       LYS  20   2.687   3.484  -4.933
  413   1HE   LYS  20          1HE       LYS  20   2.397   0.631  -4.034
  414   2HE   LYS  20          2HE       LYS  20   1.441   1.505  -5.230
  415   1HZ   LYS  20          1HZ       LYS  20   3.841   1.689  -6.329
  416   2HZ   LYS  20          2HZ       LYS  20   4.037   0.223  -5.506
  417   3HZ   LYS  20          3HZ       LYS  20   2.791   0.400  -6.636
  418    H    GLN  21           H        GLN  21   6.657   5.031  -0.696
  419    HA   GLN  21           HA       GLN  21   7.728   6.697  -2.781
  420   1HB   GLN  21          1HB       GLN  21   6.364   7.698  -1.055
  421   2HB   GLN  21          2HB       GLN  21   7.454   7.117   0.195
  422   1HG   GLN  21          1HG       GLN  21   8.534   9.041   0.072
  423   2HG   GLN  21          2HG       GLN  21   9.044   8.607  -1.558
  424   1HE2  GLN  21          2HE2      GLN  21   6.301  10.004   0.195
  425   2HE2  GLN  21          1HE2      GLN  21   5.880  11.151  -1.027
  426    H    LYS  22           H        LYS  22   9.023   5.025   0.067
  427    HA   LYS  22           HA       LYS  22  11.713   5.940  -0.547
  428   1HB   LYS  22          1HB       LYS  22  12.337   4.726   1.522
  429   2HB   LYS  22          2HB       LYS  22  11.080   5.929   1.775
  430   1HG   LYS  22          1HG       LYS  22   9.818   4.379   2.717
  431   2HG   LYS  22          2HG       LYS  22   9.772   3.507   1.184
  432   1HD   LYS  22          1HD       LYS  22  10.639   1.894   2.575
  433   2HD   LYS  22          2HD       LYS  22  12.119   2.634   1.959
  434   1HE   LYS  22          1HE       LYS  22  12.406   2.411   4.298
  435   2HE   LYS  22          2HE       LYS  22  12.086   4.118   3.995
  436   1HZ   LYS  22          1HZ       LYS  22   9.624   3.277   4.425
  437   2HZ   LYS  22          2HZ       LYS  22  10.448   2.137   5.367
  438   3HZ   LYS  22          3HZ       LYS  22  10.638   3.790   5.679
  439    H    VAL  23           H        VAL  23   9.763   3.259  -1.329
  440    HA   VAL  23           HA       VAL  23  11.408   1.081  -1.315
  441    HB   VAL  23           HB       VAL  23   9.394   1.916  -3.396
  442   1HG1  VAL  23          1HG1      VAL  23  10.910  -0.685  -3.204
  443   2HG1  VAL  23          2HG1      VAL  23   9.456  -0.450  -4.174
  444   3HG1  VAL  23          3HG1      VAL  23  10.921   0.459  -4.546
  445   1HG2  VAL  23          1HG2      VAL  23   9.283   0.653  -0.810
  446   2HG2  VAL  23          2HG2      VAL  23   7.969   1.219  -1.838
  447   3HG2  VAL  23          3HG2      VAL  23   8.611  -0.407  -2.049
  448    H    GLN  24           H        GLN  24  11.034   3.098  -4.242
  449    HA   GLN  24           HA       GLN  24  13.292   2.084  -5.549
  450   1HB   GLN  24          1HB       GLN  24  13.100   4.044  -7.024
  451   2HB   GLN  24          2HB       GLN  24  11.540   3.284  -6.741
  452   1HG   GLN  24          1HG       GLN  24  10.807   5.016  -5.370
  453   2HG   GLN  24          2HG       GLN  24  12.442   5.620  -5.103
  454   1HE2  GLN  24          2HE2      GLN  24   9.684   6.430  -6.485
  455   2HE2  GLN  24          1HE2      GLN  24  10.242   7.333  -7.848
  456    H    ALA  25           H        ALA  25  12.950   4.589  -3.156
  457    HA   ALA  25           HA       ALA  25  15.448   5.862  -3.564
  458   1HB   ALA  25          1HB       ALA  25  13.525   6.834  -2.306
  459   2HB   ALA  25          2HB       ALA  25  13.888   5.718  -0.990
  460   3HB   ALA  25          3HB       ALA  25  15.069   6.940  -1.461
  461    H    LEU  26           H        LEU  26  14.406   3.152  -1.557
  462    HA   LEU  26           HA       LEU  26  16.767   2.858  -0.060
  463   1HB   LEU  26          1HB       LEU  26  14.652   0.868  -0.868
  464   2HB   LEU  26          2HB       LEU  26  15.977   0.469   0.208
  465    HG   LEU  26           HG       LEU  26  13.769   2.461   0.710
  466   1HD1  LEU  26          1HD1      LEU  26  14.469  -0.242   1.792
  467   2HD1  LEU  26          2HD1      LEU  26  13.514   0.900   2.738
  468   3HD1  LEU  26          3HD1      LEU  26  12.926   0.345   1.170
  469   1HD2  LEU  26          1HD2      LEU  26  16.421   2.112   1.979
  470   2HD2  LEU  26          2HD2      LEU  26  15.416   3.554   1.824
  471   3HD2  LEU  26          3HD2      LEU  26  15.041   2.345   3.053
  472    H    ARG  27           H        ARG  27  15.672   0.915  -2.846
  473    HA   ARG  27           HA       ARG  27  18.039  -0.488  -3.237
  474   1HB   ARG  27          1HB       ARG  27  17.211  -0.717  -5.634
  475   2HB   ARG  27          2HB       ARG  27  16.130  -1.278  -4.369
  476   1HG   ARG  27          1HG       ARG  27  15.391   1.355  -4.717
  477   2HG   ARG  27          2HG       ARG  27  15.760   0.806  -6.352
  478   1HD   ARG  27          1HD       ARG  27  14.331  -1.297  -5.323
  479   2HD   ARG  27          2HD       ARG  27  13.543   0.097  -4.585
  480    HE   ARG  27           HE       ARG  27  13.711   0.810  -7.181
  481   1HH1  ARG  27          1HH1      ARG  27  12.511  -2.054  -5.589
  482   2HH1  ARG  27          2HH1      ARG  27  11.330  -2.390  -6.811
  483   1HH2  ARG  27          1HH2      ARG  27  12.160   0.370  -8.789
  484   2HH2  ARG  27          2HH2      ARG  27  11.131  -1.013  -8.628
  485    H    HIS  28           H        HIS  28  17.142   2.738  -4.237
  486    HA   HIS  28           HA       HIS  28  19.160   3.134  -6.169
  487   1HB   HIS  28          1HB       HIS  28  17.127   4.583  -5.817
  488   2HB   HIS  28          2HB       HIS  28  17.931   5.257  -4.403
  489    HD1  HIS  28           HD1      HIS  28  18.468   7.597  -5.179
  490    HD2  HIS  28           HD2      HIS  28  19.579   4.694  -7.935
  491    HE1  HIS  28           HE1      HIS  28  19.753   8.799  -6.997
  492    H    LYS  29           H        LYS  29  19.140   3.327  -2.684
  493    HA   LYS  29           HA       LYS  29  21.736   4.605  -2.562
  494   1HB   LYS  29          1HB       LYS  29  19.558   4.100  -0.736
  495   2HB   LYS  29          2HB       LYS  29  21.081   3.581  -0.026
  496   1HG   LYS  29          1HG       LYS  29  21.961   5.888  -0.738
  497   2HG   LYS  29          2HG       LYS  29  20.257   6.316  -0.915
  498   1HD   LYS  29          1HD       LYS  29  20.998   4.960   1.600
  499   2HD   LYS  29          2HD       LYS  29  21.638   6.590   1.383
  500   1HE   LYS  29          1HE       LYS  29  19.600   6.948   2.445
  501   2HE   LYS  29          2HE       LYS  29  19.228   7.223   0.743
  502   1HZ   LYS  29          1HZ       LYS  29  18.884   4.502   1.707
  503   2HZ   LYS  29          2HZ       LYS  29  17.791   5.641   2.312
  504   3HZ   LYS  29          3HZ       LYS  29  17.927   5.404   0.644
  505    H    GLY  30           H        GLY  30  20.351   1.420  -1.811
  506   1HA   GLY  30          1HA       GLY  30  22.855   0.145  -2.465
  507   2HA   GLY  30          2HA       GLY  30  22.456   0.073  -0.756
  508   1HN   NH2  31          1HN       NH2  31  21.681  -1.062  -3.927
  509   2HN   NH2  31          2HN       NH2  31  20.563  -2.288  -3.449
  Start of MODEL   20
    1   1H    ACE   0          1H        ACE   0 -18.842   5.952  -5.569
    2   2H    ACE   0          2H        ACE   0 -17.915   5.326  -4.205
    3   3H    ACE   0          3H        ACE   0 -19.349   6.314  -3.918
    4    H    GLU   1           H        GLU   1 -18.604   3.461  -5.935
    5    HA   GLU   1           HA       GLU   1 -21.164   2.289  -5.219
    6   1HB   GLU   1          1HB       GLU   1 -19.175   1.911  -7.367
    7   2HB   GLU   1          2HB       GLU   1 -19.984   0.445  -6.830
    8   1HG   GLU   1          1HG       GLU   1 -22.128   1.351  -7.354
    9   2HG   GLU   1          2HG       GLU   1 -21.433   2.939  -7.679
   10    H    VAL   2           H        VAL   2 -21.403   0.264  -4.271
   11    HA   VAL   2           HA       VAL   2 -19.750  -0.332  -2.119
   12    HB   VAL   2           HB       VAL   2 -21.554  -2.302  -3.525
   13   1HG1  VAL   2          1HG1      VAL   2 -19.845  -2.787  -1.490
   14   2HG1  VAL   2          2HG1      VAL   2 -21.283  -2.298  -0.594
   15   3HG1  VAL   2          3HG1      VAL   2 -21.367  -3.647  -1.728
   16   1HG2  VAL   2          1HG2      VAL   2 -22.150   0.079  -1.885
   17   2HG2  VAL   2          2HG2      VAL   2 -23.116  -0.713  -3.129
   18   3HG2  VAL   2          3HG2      VAL   2 -23.057  -1.383  -1.499
   19    H    ALA   3           H        ALA   3 -19.932  -1.924  -5.296
   20    HA   ALA   3           HA       ALA   3 -17.868  -3.798  -4.747
   21   1HB   ALA   3          1HB       ALA   3 -19.362  -2.935  -7.168
   22   2HB   ALA   3          2HB       ALA   3 -17.861  -3.834  -7.385
   23   3HB   ALA   3          3HB       ALA   3 -19.184  -4.541  -6.460
   24    H    GLN   4           H        GLN   4 -17.937  -0.582  -6.166
   25    HA   GLN   4           HA       GLN   4 -15.393  -0.495  -7.288
   26   1HB   GLN   4          1HB       GLN   4 -17.369   1.477  -6.350
   27   2HB   GLN   4          2HB       GLN   4 -15.709   2.057  -6.378
   28   1HG   GLN   4          1HG       GLN   4 -17.121   0.800  -8.719
   29   2HG   GLN   4          2HG       GLN   4 -16.971   2.534  -8.447
   30   1HE2  GLN   4          2HE2      GLN   4 -14.487   2.976  -7.750
   31   2HE2  GLN   4          1HE2      GLN   4 -13.363   2.420  -8.939
   32    H    LEU   5           H        LEU   5 -16.422   0.031  -3.957
   33    HA   LEU   5           HA       LEU   5 -13.880   0.891  -3.011
   34   1HB   LEU   5          1HB       LEU   5 -16.179  -0.326  -1.477
   35   2HB   LEU   5          2HB       LEU   5 -14.820   0.534  -0.777
   36    HG   LEU   5           HG       LEU   5 -16.766   1.810  -2.694
   37   1HD1  LEU   5          1HD1      LEU   5 -16.882   1.429   0.256
   38   2HD1  LEU   5          2HD1      LEU   5 -17.460   2.946  -0.433
   39   3HD1  LEU   5          3HD1      LEU   5 -18.181   1.418  -0.938
   40   1HD2  LEU   5          1HD2      LEU   5 -14.487   2.807  -2.437
   41   2HD2  LEU   5          2HD2      LEU   5 -15.813   3.873  -1.973
   42   3HD2  LEU   5          3HD2      LEU   5 -14.857   3.063  -0.732
   43    H    GLU   6           H        GLU   6 -15.419  -2.215  -3.430
   44    HA   GLU   6           HA       GLU   6 -13.728  -3.763  -1.801
   45   1HB   GLU   6          1HB       GLU   6 -15.548  -4.314  -4.097
   46   2HB   GLU   6          2HB       GLU   6 -14.409  -5.567  -3.628
   47   1HG   GLU   6          1HG       GLU   6 -15.311  -5.497  -1.340
   48   2HG   GLU   6          2HG       GLU   6 -16.485  -4.289  -1.862
   49    H    LYS   7           H        LYS   7 -13.478  -2.745  -5.170
   50    HA   LYS   7           HA       LYS   7 -11.111  -4.273  -5.683
   51   1HB   LYS   7          1HB       LYS   7 -11.882  -1.878  -7.311
   52   2HB   LYS   7          2HB       LYS   7 -11.155  -3.389  -7.837
   53   1HG   LYS   7          1HG       LYS   7 -14.017  -2.937  -7.026
   54   2HG   LYS   7          2HG       LYS   7 -13.404  -3.291  -8.640
   55   1HD   LYS   7          1HD       LYS   7 -12.679  -5.255  -6.572
   56   2HD   LYS   7          2HD       LYS   7 -14.403  -5.149  -6.936
   57   1HE   LYS   7          1HE       LYS   7 -12.219  -5.542  -8.978
   58   2HE   LYS   7          2HE       LYS   7 -13.227  -6.827  -8.315
   59   1HZ   LYS   7          1HZ       LYS   7 -15.166  -5.435  -9.160
   60   2HZ   LYS   7          2HZ       LYS   7 -14.022  -4.595 -10.080
   61   3HZ   LYS   7          3HZ       LYS   7 -14.242  -6.257 -10.314
   62    H    GLU   8           H        GLU   8 -11.814  -1.058  -4.526
   63    HA   GLU   8           HA       GLU   8  -9.346   0.166  -4.970
   64   1HB   GLU   8          1HB       GLU   8 -11.526   1.196  -4.121
   65   2HB   GLU   8          2HB       GLU   8 -11.022   0.664  -2.523
   66   1HG   GLU   8          1HG       GLU   8  -8.984   1.997  -2.728
   67   2HG   GLU   8          2HG       GLU   8  -9.494   2.529  -4.328
   68    H    VAL   9           H        VAL   9 -10.301  -2.247  -2.679
   69    HA   VAL   9           HA       VAL   9  -8.034  -1.853  -0.932
   70    HB   VAL   9           HB       VAL   9 -10.023  -4.129  -1.066
   71   1HG1  VAL   9          1HG1      VAL   9  -7.854  -4.752  -0.041
   72   2HG1  VAL   9          2HG1      VAL   9  -8.072  -3.454   1.132
   73   3HG1  VAL   9          3HG1      VAL   9  -9.202  -4.807   1.095
   74   1HG2  VAL   9          1HG2      VAL   9  -9.941  -1.551   0.441
   75   2HG2  VAL   9          2HG2      VAL   9 -11.287  -2.313  -0.404
   76   3HG2  VAL   9          3HG2      VAL   9 -10.739  -2.957   1.143
   77    H    ALA  10           H        ALA  10  -9.094  -4.443  -3.151
   78    HA   ALA  10           HA       ALA  10  -6.819  -6.026  -3.030
   79   1HB   ALA  10          1HB       ALA  10  -8.898  -6.719  -4.126
   80   2HB   ALA  10          2HB       ALA  10  -8.595  -5.568  -5.427
   81   3HB   ALA  10          3HB       ALA  10  -7.505  -6.933  -5.187
   82    H    GLN  11           H        GLN  11  -7.337  -2.986  -4.602
   83    HA   GLN  11           HA       GLN  11  -5.234  -3.081  -6.482
   84   1HB   GLN  11          1HB       GLN  11  -7.006  -1.420  -6.639
   85   2HB   GLN  11          2HB       GLN  11  -6.533  -0.728  -5.094
   86   1HG   GLN  11          1HG       GLN  11  -4.941   0.521  -6.018
   87   2HG   GLN  11          2HG       GLN  11  -4.345  -0.814  -7.004
   88   1HE2  GLN  11          2HE2      GLN  11  -6.460  -1.419  -8.565
   89   2HE2  GLN  11          1HE2      GLN  11  -6.867  -0.082  -9.581
   90    H    LEU  12           H        LEU  12  -5.412  -1.802  -3.169
   91    HA   LEU  12           HA       LEU  12  -2.568  -1.236  -3.153
   92   1HB   LEU  12          1HB       LEU  12  -4.517  -1.073  -0.856
   93   2HB   LEU  12          2HB       LEU  12  -2.927  -0.340  -0.948
   94    HG   LEU  12           HG       LEU  12  -5.161   0.419  -2.820
   95   1HD1  LEU  12          1HD1      LEU  12  -4.451   1.562  -0.129
   96   2HD1  LEU  12          2HD1      LEU  12  -5.402   2.426  -1.335
   97   3HD1  LEU  12          3HD1      LEU  12  -6.004   0.916  -0.655
   98   1HD2  LEU  12          1HD2      LEU  12  -2.436   1.461  -2.181
   99   2HD2  LEU  12          2HD2      LEU  12  -3.196   1.189  -3.749
  100   3HD2  LEU  12          3HD2      LEU  12  -3.686   2.564  -2.759
  101    H    GLU  13           H        GLU  13  -4.814  -3.394  -1.431
  102    HA   GLU  13           HA       GLU  13  -3.107  -4.690   0.264
  103   1HB   GLU  13          1HB       GLU  13  -5.617  -5.387  -1.098
  104   2HB   GLU  13          2HB       GLU  13  -4.662  -6.773  -0.591
  105   1HG   GLU  13          1HG       GLU  13  -4.538  -5.544   1.683
  106   2HG   GLU  13          2HG       GLU  13  -5.920  -4.637   1.072
  107    H    ALA  14           H        ALA  14  -3.278  -4.985  -3.200
  108    HA   ALA  14           HA       ALA  14  -1.595  -7.343  -3.272
  109   1HB   ALA  14          1HB       ALA  14  -3.465  -6.796  -4.924
  110   2HB   ALA  14          2HB       ALA  14  -2.334  -5.646  -5.637
  111   3HB   ALA  14          3HB       ALA  14  -1.935  -7.364  -5.591
  112    H    GLU  15           H        GLU  15  -1.287  -3.879  -3.637
  113    HA   GLU  15           HA       GLU  15   1.467  -4.090  -4.557
  114   1HB   GLU  15          1HB       GLU  15  -0.349  -2.325  -5.264
  115   2HB   GLU  15          2HB       GLU  15   0.174  -1.498  -3.803
  116   1HG   GLU  15          1HG       GLU  15   1.961  -2.297  -6.089
  117   2HG   GLU  15          2HG       GLU  15   1.323  -0.680  -5.800
  118    H    ASN  16           H        ASN  16  -0.235  -2.508  -1.847
  119    HA   ASN  16           HA       ASN  16   1.923  -1.701  -0.353
  120   1HB   ASN  16          1HB       ASN  16  -0.387  -1.130   0.205
  121   2HB   ASN  16          2HB       ASN  16  -0.711  -2.801   0.651
  122   1HD2  ASN  16          2HD2      ASN  16  -1.387  -1.756   2.657
  123   2HD2  ASN  16          1HD2      ASN  16  -0.198  -1.442   3.870
  124    H    TYR  17           H        TYR  17   0.355  -4.884  -0.328
  125    HA   TYR  17           HA       TYR  17   1.979  -5.982   1.716
  126   1HB   TYR  17          1HB       TYR  17  -0.150  -6.996   1.202
  127   2HB   TYR  17          2HB       TYR  17   0.344  -7.299  -0.459
  128    HD1  TYR  17           HD1      TYR  17   0.811  -8.330   3.048
  129    HD2  TYR  17           HD2      TYR  17   1.689  -9.199  -1.023
  130    HE1  TYR  17           HE1      TYR  17   1.635 -10.551   3.705
  131    HE2  TYR  17           HE2      TYR  17   2.516 -11.422  -0.377
  132    HH   TYR  17           HH       TYR  17   2.177 -13.035   1.517
  133    H    GLN  18           H        GLN  18   2.192  -6.016  -1.816
  134    HA   GLN  18           HA       GLN  18   4.337  -7.791  -2.067
  135   1HB   GLN  18          1HB       GLN  18   2.799  -6.750  -3.876
  136   2HB   GLN  18          2HB       GLN  18   3.977  -5.444  -3.906
  137   1HG   GLN  18          1HG       GLN  18   5.667  -6.819  -4.717
  138   2HG   GLN  18          2HG       GLN  18   4.830  -8.293  -4.230
  139   1HE2  GLN  18          2HE2      GLN  18   5.844  -6.915  -6.845
  140   2HE2  GLN  18          1HE2      GLN  18   4.555  -7.229  -7.951
  141    H    LEU  19           H        LEU  19   4.259  -4.379  -1.283
  142    HA   LEU  19           HA       LEU  19   7.148  -4.138  -1.503
  143   1HB   LEU  19          1HB       LEU  19   5.022  -2.170  -0.678
  144   2HB   LEU  19          2HB       LEU  19   6.731  -1.792  -0.759
  145    HG   LEU  19           HG       LEU  19   4.949  -2.546  -3.075
  146   1HD1  LEU  19          1HD1      LEU  19   6.296   0.019  -2.258
  147   2HD1  LEU  19          2HD1      LEU  19   5.583  -0.256  -3.847
  148   3HD1  LEU  19          3HD1      LEU  19   4.567  -0.290  -2.407
  149   1HD2  LEU  19          1HD2      LEU  19   7.914  -2.277  -2.831
  150   2HD2  LEU  19          2HD2      LEU  19   6.962  -3.473  -3.713
  151   3HD2  LEU  19          3HD2      LEU  19   7.110  -1.830  -4.337
  152    H    GLU  20           H        GLU  20   4.655  -3.978   1.023
  153    HA   GLU  20           HA       GLU  20   6.153  -3.362   3.225
  154   1HB   GLU  20          1HB       GLU  20   3.634  -3.900   3.010
  155   2HB   GLU  20          2HB       GLU  20   4.107  -5.558   3.356
  156   1HG   GLU  20          1HG       GLU  20   5.276  -3.696   5.235
  157   2HG   GLU  20          2HG       GLU  20   3.518  -3.579   5.195
  158    H    GLN  21           H        GLN  21   6.160  -6.340   1.427
  159    HA   GLN  21           HA       GLN  21   7.773  -7.688   3.452
  160   1HB   GLN  21          1HB       GLN  21   5.848  -8.759   2.090
  161   2HB   GLN  21          2HB       GLN  21   7.022  -8.849   0.787
  162   1HG   GLN  21          1HG       GLN  21   6.824 -10.930   2.111
  163   2HG   GLN  21          2HG       GLN  21   8.453 -10.257   2.074
  164   1HE2  GLN  21          2HE2      GLN  21   9.465 -10.053   3.939
  165   2HE2  GLN  21          1HE2      GLN  21   8.727 -10.069   5.502
  166    H    GLU  22           H        GLU  22   8.036  -6.225   0.290
  167    HA   GLU  22           HA       GLU  22  10.684  -7.246  -0.208
  168   1HB   GLU  22          1HB       GLU  22   8.662  -5.955  -1.722
  169   2HB   GLU  22          2HB       GLU  22  10.094  -4.941  -1.806
  170   1HG   GLU  22          1HG       GLU  22  10.018  -6.522  -3.646
  171   2HG   GLU  22          2HG       GLU  22  11.405  -6.825  -2.600
  172    H    VAL  23           H        VAL  23   9.284  -4.472   1.323
  173    HA   VAL  23           HA       VAL  23  11.631  -2.829   1.207
  174    HB   VAL  23           HB       VAL  23   9.303  -2.579   3.114
  175   1HG1  VAL  23          1HG1      VAL  23  11.660  -0.930   2.470
  176   2HG1  VAL  23          2HG1      VAL  23  10.130  -0.066   2.612
  177   3HG1  VAL  23          3HG1      VAL  23  10.721  -1.039   3.958
  178   1HG2  VAL  23          1HG2      VAL  23   9.123  -2.512   0.373
  179   2HG2  VAL  23          2HG2      VAL  23   8.006  -1.738   1.496
  180   3HG2  VAL  23          3HG2      VAL  23   9.332  -0.811   0.793
  181    H    ALA  24           H        ALA  24  10.441  -5.309   3.323
  182    HA   ALA  24           HA       ALA  24  11.882  -4.677   5.649
  183   1HB   ALA  24          1HB       ALA  24  10.010  -6.464   5.160
  184   2HB   ALA  24          2HB       ALA  24  11.402  -7.525   4.936
  185   3HB   ALA  24          3HB       ALA  24  11.170  -6.687   6.471
  186    H    GLN  25           H        GLN  25  12.964  -5.828   2.614
  187    HA   GLN  25           HA       GLN  25  15.513  -6.701   3.803
  188   1HB   GLN  25          1HB       GLN  25  14.557  -7.316   1.011
  189   2HB   GLN  25          2HB       GLN  25  15.883  -8.068   1.888
  190   1HG   GLN  25          1HG       GLN  25  13.603  -8.453   3.467
  191   2HG   GLN  25          2HG       GLN  25  13.110  -8.785   1.808
  192   1HE2  GLN  25          2HE2      GLN  25  14.872  -9.874   4.520
  193   2HE2  GLN  25          1HE2      GLN  25  15.450 -11.353   3.842
  194    H    LEU  26           H        LEU  26  14.032  -4.613   1.393
  195    HA   LEU  26           HA       LEU  26  16.286  -3.761   0.018
  196   1HB   LEU  26          1HB       LEU  26  13.751  -2.301   0.730
  197   2HB   LEU  26          2HB       LEU  26  14.979  -1.613  -0.315
  198    HG   LEU  26           HG       LEU  26  13.680  -4.257  -0.920
  199   1HD1  LEU  26          1HD1      LEU  26  12.752  -1.488  -1.639
  200   2HD1  LEU  26          2HD1      LEU  26  12.261  -2.934  -2.522
  201   3HD1  LEU  26          3HD1      LEU  26  11.848  -2.759  -0.816
  202   1HD2  LEU  26          1HD2      LEU  26  15.721  -2.625  -2.132
  203   2HD2  LEU  26          2HD2      LEU  26  15.201  -4.260  -2.536
  204   3HD2  LEU  26          3HD2      LEU  26  14.372  -2.872  -3.240
  205    H    GLU  27           H        GLU  27  14.851  -2.354   2.962
  206    HA   GLU  27           HA       GLU  27  17.148  -0.588   3.255
  207   1HB   GLU  27          1HB       GLU  27  15.835   0.115   5.369
  208   2HB   GLU  27          2HB       GLU  27  15.194   0.558   3.794
  209   1HG   GLU  27          1HG       GLU  27  13.497  -0.271   5.404
  210   2HG   GLU  27          2HG       GLU  27  13.558  -1.163   3.886
  211    H    HIS  28           H        HIS  28  18.143  -3.017   3.409
  212    HA   HIS  28           HA       HIS  28  18.095  -4.185   6.007
  213   1HB   HIS  28          1HB       HIS  28  18.742  -5.261   3.736
  214   2HB   HIS  28          2HB       HIS  28  20.335  -4.579   4.042
  215    HD1  HIS  28           HD1      HIS  28  18.509  -7.602   4.556
  216    HD2  HIS  28           HD2      HIS  28  21.269  -5.428   6.774
  217    HE1  HIS  28           HE1      HIS  28  19.460  -9.201   6.268
  218    H    GLU  29           H        GLU  29  20.089  -1.783   4.422
  219    HA   GLU  29           HA       GLU  29  22.223  -1.772   6.271
  220   1HB   GLU  29          1HB       GLU  29  21.809  -0.584   3.886
  221   2HB   GLU  29          2HB       GLU  29  21.500   0.780   4.952
  222   1HG   GLU  29          1HG       GLU  29  23.997  -0.896   5.014
  223   2HG   GLU  29          2HG       GLU  29  23.836   0.631   4.149
  224    H    GLY  30           H        GLY  30  19.483   0.497   5.937
  225   1HA   GLY  30          1HA       GLY  30  18.307   1.650   7.546
  226   2HA   GLY  30          2HA       GLY  30  19.069   0.630   8.757
  227   1HN   NH2  31          1HN       NH2  31  20.584   2.801   6.420
  228   2HN   NH2  31          2HN       NH2  31  21.316   3.840   7.589
  229   1H    ACE   0          1H        ACE   0 -16.680  -4.756   4.708
  230   2H    ACE   0          2H        ACE   0 -16.042  -5.356   3.178
  231   3H    ACE   0          3H        ACE   0 -17.408  -6.167   3.942
  232    H    GLU   1           H        GLU   1 -18.474  -3.438   4.713
  233    HA   GLU   1           HA       GLU   1 -19.935  -2.988   2.242
  234   1HB   GLU   1          1HB       GLU   1 -20.415  -1.553   4.842
  235   2HB   GLU   1          2HB       GLU   1 -21.549  -1.852   3.533
  236   1HG   GLU   1          1HG       GLU   1 -22.217  -3.751   4.450
  237   2HG   GLU   1          2HG       GLU   1 -20.560  -4.338   4.580
  238    H    VAL   2           H        VAL   2 -20.685  -0.360   2.494
  239    HA   VAL   2           HA       VAL   2 -18.852   1.044   1.073
  240    HB   VAL   2           HB       VAL   2 -19.893   3.135   2.354
  241   1HG1  VAL   2          1HG1      VAL   2 -20.294   1.940  -0.022
  242   2HG1  VAL   2          2HG1      VAL   2 -21.891   1.739   0.700
  243   3HG1  VAL   2          3HG1      VAL   2 -21.196   3.352   0.528
  244   1HG2  VAL   2          1HG2      VAL   2 -20.956   1.237   3.920
  245   2HG2  VAL   2          2HG2      VAL   2 -21.754   2.775   3.596
  246   3HG2  VAL   2          3HG2      VAL   2 -22.215   1.335   2.690
  247    H    GLN   3           H        GLN   3 -19.329   2.385   4.273
  248    HA   GLN   3           HA       GLN   3 -16.741   3.384   4.486
  249   1HB   GLN   3          1HB       GLN   3 -17.270   3.924   6.767
  250   2HB   GLN   3          2HB       GLN   3 -18.700   4.197   5.782
  251   1HG   GLN   3          1HG       GLN   3 -18.879   1.552   6.696
  252   2HG   GLN   3          2HG       GLN   3 -18.359   2.517   8.075
  253   1HE2  GLN   3          2HE2      GLN   3 -19.630   4.529   8.447
  254   2HE2  GLN   3          1HE2      GLN   3 -21.339   4.450   8.201
  255    H    ALA   4           H        ALA   4 -18.087   0.300   5.489
  256    HA   ALA   4           HA       ALA   4 -16.080  -0.561   7.213
  257   1HB   ALA   4          1HB       ALA   4 -18.278  -1.761   5.779
  258   2HB   ALA   4          2HB       ALA   4 -16.891  -2.847   5.851
  259   3HB   ALA   4          3HB       ALA   4 -17.579  -2.195   7.339
  260    H    LEU   5           H        LEU   5 -16.116  -0.361   3.732
  261    HA   LEU   5           HA       LEU   5 -13.456  -1.633   3.648
  262   1HB   LEU   5          1HB       LEU   5 -15.727  -1.537   1.740
  263   2HB   LEU   5          2HB       LEU   5 -14.116  -1.507   1.059
  264    HG   LEU   5           HG       LEU   5 -15.034  -3.645   2.974
  265   1HD1  LEU   5          1HD1      LEU   5 -16.322  -3.367   0.712
  266   2HD1  LEU   5          2HD1      LEU   5 -14.867  -4.093   0.033
  267   3HD1  LEU   5          3HD1      LEU   5 -15.797  -4.960   1.254
  268   1HD2  LEU   5          1HD2      LEU   5 -12.525  -2.962   1.953
  269   2HD2  LEU   5          2HD2      LEU   5 -12.970  -4.448   2.791
  270   3HD2  LEU   5          3HD2      LEU   5 -13.038  -4.374   1.030
  271    H    LYS   6           H        LYS   6 -15.414   0.995   2.450
  272    HA   LYS   6           HA       LYS   6 -13.673   2.469   0.953
  273   1HB   LYS   6          1HB       LYS   6 -15.953   3.110   1.097
  274   2HB   LYS   6          2HB       LYS   6 -15.873   3.245   2.842
  275   1HG   LYS   6          1HG       LYS   6 -15.329   5.395   2.717
  276   2HG   LYS   6          2HG       LYS   6 -13.998   5.050   1.611
  277   1HD   LYS   6          1HD       LYS   6 -15.393   6.469   0.385
  278   2HD   LYS   6          2HD       LYS   6 -15.815   4.857  -0.195
  279   1HE   LYS   6          1HE       LYS   6 -17.932   5.254   0.337
  280   2HE   LYS   6          2HE       LYS   6 -17.461   5.369   2.032
  281   1HZ   LYS   6          1HZ       LYS   6 -16.792   7.783   1.257
  282   2HZ   LYS   6          2HZ       LYS   6 -17.994   7.496   0.101
  283   3HZ   LYS   6          3HZ       LYS   6 -18.369   7.413   1.748
  284    H    LYS   7           H        LYS   7 -13.849   2.249   4.470
  285    HA   LYS   7           HA       LYS   7 -11.824   4.313   4.784
  286   1HB   LYS   7          1HB       LYS   7 -12.271   4.252   7.097
  287   2HB   LYS   7          2HB       LYS   7 -13.833   4.057   6.318
  288   1HG   LYS   7          1HG       LYS   7 -13.284   1.497   6.611
  289   2HG   LYS   7          2HG       LYS   7 -12.241   2.109   7.898
  290   1HD   LYS   7          1HD       LYS   7 -15.137   2.892   7.654
  291   2HD   LYS   7          2HD       LYS   7 -14.614   1.467   8.555
  292   1HE   LYS   7          1HE       LYS   7 -13.411   2.762  10.107
  293   2HE   LYS   7          2HE       LYS   7 -13.471   4.194   9.081
  294   1HZ   LYS   7          1HZ       LYS   7 -16.047   3.826   9.431
  295   2HZ   LYS   7          2HZ       LYS   7 -15.510   3.092  10.857
  296   3HZ   LYS   7          3HZ       LYS   7 -15.114   4.706  10.535
  297    H    ARG   8           H        ARG   8 -12.083   0.837   4.839
  298    HA   ARG   8           HA       ARG   8  -9.677   0.300   6.218
  299   1HB   ARG   8          1HB       ARG   8 -10.013  -1.926   5.691
  300   2HB   ARG   8          2HB       ARG   8 -11.646  -1.287   5.602
  301   1HG   ARG   8          1HG       ARG   8 -11.767  -2.258   3.609
  302   2HG   ARG   8          2HG       ARG   8 -10.707  -0.975   3.029
  303   1HD   ARG   8          1HD       ARG   8  -9.264  -2.574   2.465
  304   2HD   ARG   8          2HD       ARG   8  -8.980  -2.808   4.187
  305    HE   ARG   8           HE       ARG   8 -10.637  -4.459   2.442
  306   1HH1  ARG   8          1HH1      ARG   8  -9.463  -3.805   5.670
  307   2HH1  ARG   8          2HH1      ARG   8  -9.886  -5.370   6.271
  308   1HH2  ARG   8          1HH2      ARG   8 -11.194  -6.514   3.242
  309   2HH2  ARG   8          2HH2      ARG   8 -10.867  -6.906   4.897
  310    H    VAL   9           H        VAL   9 -10.356   1.210   2.938
  311    HA   VAL   9           HA       VAL   9  -8.040   0.302   1.664
  312    HB   VAL   9           HB       VAL   9  -9.572   2.838   1.064
  313   1HG1  VAL   9          1HG1      VAL   9  -7.222   2.392   0.034
  314   2HG1  VAL   9          2HG1      VAL   9  -8.080   1.211  -0.955
  315   3HG1  VAL   9          3HG1      VAL   9  -8.546   2.911  -1.008
  316   1HG2  VAL   9          1HG2      VAL   9 -10.641   0.364   1.103
  317   2HG2  VAL   9          2HG2      VAL   9 -11.154   1.637  -0.006
  318   3HG2  VAL   9          3HG2      VAL   9 -10.009   0.408  -0.543
  319    H    GLN  10           H        GLN  10  -8.667   3.277   3.469
  320    HA   GLN  10           HA       GLN  10  -6.284   4.619   2.930
  321   1HB   GLN  10          1HB       GLN  10  -7.833   4.678   5.525
  322   2HB   GLN  10          2HB       GLN  10  -6.726   5.911   4.936
  323   1HG   GLN  10          1HG       GLN  10  -8.238   6.304   3.025
  324   2HG   GLN  10          2HG       GLN  10  -9.367   5.138   3.717
  325   1HE2  GLN  10          2HE2      GLN  10  -9.737   5.639   6.177
  326   2HE2  GLN  10          1HE2      GLN  10 -10.162   7.280   6.510
  327    H    ALA  11           H        ALA  11  -6.876   1.842   4.883
  328    HA   ALA  11           HA       ALA  11  -4.464   2.122   6.451
  329   1HB   ALA  11          1HB       ALA  11  -6.474  -0.110   6.229
  330   2HB   ALA  11          2HB       ALA  11  -5.080  -0.132   7.310
  331   3HB   ALA  11          3HB       ALA  11  -6.338   1.087   7.517
  332    H    LEU  12           H        LEU  12  -4.897   1.385   3.298
  333    HA   LEU  12           HA       LEU  12  -2.722  -0.600   3.296
  334   1HB   LEU  12          1HB       LEU  12  -4.356  -0.161   0.855
  335   2HB   LEU  12          2HB       LEU  12  -3.590  -1.622   1.435
  336    HG   LEU  12           HG       LEU  12  -5.966  -0.507   2.883
  337   1HD1  LEU  12          1HD1      LEU  12  -6.402  -0.742   0.380
  338   2HD1  LEU  12          2HD1      LEU  12  -6.217  -2.477   0.636
  339   3HD1  LEU  12          3HD1      LEU  12  -7.488  -1.591   1.479
  340   1HD2  LEU  12          1HD2      LEU  12  -4.535  -2.364   3.808
  341   2HD2  LEU  12          2HD2      LEU  12  -6.250  -2.738   3.631
  342   3HD2  LEU  12          3HD2      LEU  12  -5.088  -3.353   2.456
  343    H    LYS  13           H        LYS  13  -3.949   2.356   1.837
  344    HA   LYS  13           HA       LYS  13  -1.540   2.681   0.245
  345   1HB   LYS  13          1HB       LYS  13  -2.696   4.820  -0.487
  346   2HB   LYS  13          2HB       LYS  13  -3.486   3.313  -0.924
  347   1HG   LYS  13          1HG       LYS  13  -5.144   4.869  -0.198
  348   2HG   LYS  13          2HG       LYS  13  -5.000   3.607   1.023
  349   1HD   LYS  13          1HD       LYS  13  -4.196   5.030   2.583
  350   2HD   LYS  13          2HD       LYS  13  -3.264   5.955   1.405
  351   1HE   LYS  13          1HE       LYS  13  -5.958   6.420   0.785
  352   2HE   LYS  13          2HE       LYS  13  -5.846   6.518   2.541
  353   1HZ   LYS  13          1HZ       LYS  13  -3.752   7.962   1.930
  354   2HZ   LYS  13          2HZ       LYS  13  -4.625   8.222   0.505
  355   3HZ   LYS  13          3HZ       LYS  13  -5.301   8.638   1.999
  356    H    ALA  14           H        ALA  14  -2.804   3.729   3.274
  357    HA   ALA  14           HA       ALA  14  -1.483   6.174   3.592
  358   1HB   ALA  14          1HB       ALA  14  -2.363   4.099   5.580
  359   2HB   ALA  14          2HB       ALA  14  -1.622   5.623   6.065
  360   3HB   ALA  14          3HB       ALA  14  -3.143   5.627   5.172
  361    H    ARG  15           H        ARG  15  -0.444   2.910   4.575
  362    HA   ARG  15           HA       ARG  15   2.193   3.873   5.268
  363   1HB   ARG  15          1HB       ARG  15   1.146   2.104   6.601
  364   2HB   ARG  15          2HB       ARG  15   1.069   1.067   5.183
  365   1HG   ARG  15          1HG       ARG  15   2.923   0.274   6.311
  366   2HG   ARG  15          2HG       ARG  15   3.629   1.355   5.108
  367   1HD   ARG  15          1HD       ARG  15   3.473   3.148   6.953
  368   2HD   ARG  15          2HD       ARG  15   3.273   1.784   8.053
  369    HE   ARG  15           HE       ARG  15   5.691   2.635   6.792
  370   1HH1  ARG  15          1HH1      ARG  15   3.999  -0.151   8.039
  371   2HH1  ARG  15          2HH1      ARG  15   5.446  -1.046   8.355
  372   1HH2  ARG  15          1HH2      ARG  15   7.597   1.460   7.206
  373   2HH2  ARG  15          2HH2      ARG  15   7.490  -0.131   7.881
  374    H    ASN  16           H        ASN  16   0.655   2.128   2.646
  375    HA   ASN  16           HA       ASN  16   2.974   1.195   1.358
  376   1HB   ASN  16          1HB       ASN  16   0.742   0.354   0.818
  377   2HB   ASN  16          2HB       ASN  16   0.287   1.927   0.178
  378   1HD2  ASN  16          2HD2      ASN  16  -0.155   1.153  -1.857
  379   2HD2  ASN  16          1HD2      ASN  16   1.077   0.614  -2.942
  380    H    TYR  17           H        TYR  17   1.081   4.168   0.881
  381    HA   TYR  17           HA       TYR  17   2.393   5.263  -1.264
  382   1HB   TYR  17          1HB       TYR  17   0.430   6.306  -0.272
  383   2HB   TYR  17          2HB       TYR  17   1.339   6.696   1.184
  384    HD1  TYR  17           HD1      TYR  17   1.553   7.252  -2.510
  385    HD2  TYR  17           HD2      TYR  17   2.128   8.852   1.390
  386    HE1  TYR  17           HE1      TYR  17   2.194   9.411  -3.497
  387    HE2  TYR  17           HE2      TYR  17   2.770  11.015   0.414
  388    HH   TYR  17           HH       TYR  17   3.765  11.788  -1.860
  389    H    ALA  18           H        ALA  18   3.515   4.987   2.028
  390    HA   ALA  18           HA       ALA  18   5.709   6.811   1.707
  391   1HB   ALA  18          1HB       ALA  18   4.447   5.820   3.876
  392   2HB   ALA  18          2HB       ALA  18   5.871   4.781   3.838
  393   3HB   ALA  18          3HB       ALA  18   6.059   6.533   3.919
  394    H    LEU  19           H        LEU  19   5.469   3.257   1.979
  395    HA   LEU  19           HA       LEU  19   8.202   2.786   1.447
  396   1HB   LEU  19          1HB       LEU  19   6.210   0.758   0.584
  397   2HB   LEU  19          2HB       LEU  19   7.711   0.548   1.457
  398    HG   LEU  19           HG       LEU  19   5.066   1.448   2.583
  399   1HD1  LEU  19          1HD1      LEU  19   6.794  -0.983   2.966
  400   2HD1  LEU  19          2HD1      LEU  19   5.464  -0.557   4.044
  401   3HD1  LEU  19          3HD1      LEU  19   5.145  -0.908   2.345
  402   1HD2  LEU  19          1HD2      LEU  19   7.824   1.540   3.751
  403   2HD2  LEU  19          2HD2      LEU  19   6.570   2.781   3.759
  404   3HD2  LEU  19          3HD2      LEU  19   6.402   1.351   4.777
  405    H    LYS  20           H        LYS  20   5.333   2.603  -0.638
  406    HA   LYS  20           HA       LYS  20   6.396   1.885  -3.037
  407   1HB   LYS  20          1HB       LYS  20   3.981   2.793  -2.243
  408   2HB   LYS  20          2HB       LYS  20   4.536   4.182  -3.164
  409   1HG   LYS  20          1HG       LYS  20   4.738   2.905  -5.145
  410   2HG   LYS  20          2HG       LYS  20   4.535   1.388  -4.267
  411   1HD   LYS  20          1HD       LYS  20   2.291   1.562  -4.240
  412   2HD   LYS  20          2HD       LYS  20   2.333   3.300  -3.935
  413   1HE   LYS  20          1HE       LYS  20   3.234   3.267  -6.460
  414   2HE   LYS  20          2HE       LYS  20   2.234   1.815  -6.491
  415   1HZ   LYS  20          1HZ       LYS  20   1.029   4.166  -5.281
  416   2HZ   LYS  20          2HZ       LYS  20   1.291   4.255  -6.950
  417   3HZ   LYS  20          3HZ       LYS  20   0.349   3.006  -6.306
  418    H    GLN  21           H        GLN  21   6.784   4.925  -1.389
  419    HA   GLN  21           HA       GLN  21   7.947   6.248  -3.678
  420   1HB   GLN  21          1HB       GLN  21   6.584   7.522  -2.105
  421   2HB   GLN  21          2HB       GLN  21   7.691   7.119  -0.799
  422   1HG   GLN  21          1HG       GLN  21   9.374   8.248  -2.616
  423   2HG   GLN  21          2HG       GLN  21   7.890   9.163  -2.881
  424   1HE2  GLN  21          2HE2      GLN  21   8.653  11.056  -2.022
  425   2HE2  GLN  21          1HE2      GLN  21   8.988  11.265  -0.341
  426    H    LYS  22           H        LYS  22   9.062   4.851  -0.626
  427    HA   LYS  22           HA       LYS  22  11.810   5.589  -1.212
  428   1HB   LYS  22          1HB       LYS  22  12.325   4.667   0.987
  429   2HB   LYS  22          2HB       LYS  22  10.994   5.812   1.074
  430   1HG   LYS  22          1HG       LYS  22   9.657   4.290   1.964
  431   2HG   LYS  22          2HG       LYS  22   9.992   3.154   0.656
  432   1HD   LYS  22          1HD       LYS  22  10.625   2.152   2.757
  433   2HD   LYS  22          2HD       LYS  22  12.079   2.496   1.816
  434   1HE   LYS  22          1HE       LYS  22  12.677   3.256   3.910
  435   2HE   LYS  22          2HE       LYS  22  12.090   4.730   3.142
  436   1HZ   LYS  22          1HZ       LYS  22   9.843   3.836   4.222
  437   2HZ   LYS  22          2HZ       LYS  22  10.948   3.197   5.333
  438   3HZ   LYS  22          3HZ       LYS  22  10.910   4.862   5.041
  439    H    VAL  23           H        VAL  23   9.859   3.018  -2.110
  440    HA   VAL  23           HA       VAL  23  11.293   0.722  -1.683
  441    HB   VAL  23           HB       VAL  23  10.069   1.382  -4.363
  442   1HG1  VAL  23          1HG1      VAL  23  11.429  -0.665  -4.259
  443   2HG1  VAL  23          2HG1      VAL  23  10.428  -1.248  -2.929
  444   3HG1  VAL  23          3HG1      VAL  23   9.721  -1.015  -4.528
  445   1HG2  VAL  23          1HG2      VAL  23   8.818   0.732  -1.741
  446   2HG2  VAL  23          2HG2      VAL  23   8.281   1.827  -3.012
  447   3HG2  VAL  23          3HG2      VAL  23   8.092   0.087  -3.214
  448    H    GLN  24           H        GLN  24  11.610   2.600  -4.700
  449    HA   GLN  24           HA       GLN  24  13.997   1.357  -5.510
  450   1HB   GLN  24          1HB       GLN  24  14.199   3.377  -7.037
  451   2HB   GLN  24          2HB       GLN  24  12.720   2.437  -7.183
  452   1HG   GLN  24          1HG       GLN  24  11.430   4.068  -6.154
  453   2HG   GLN  24          2HG       GLN  24  12.829   4.843  -5.413
  454   1HE2  GLN  24          2HE2      GLN  24  10.556   5.505  -7.467
  455   2HE2  GLN  24          1HE2      GLN  24  11.399   6.433  -8.656
  456    H    ALA  25           H        ALA  25  13.370   4.240  -3.598
  457    HA   ALA  25           HA       ALA  25  15.930   5.351  -3.587
  458   1HB   ALA  25          1HB       ALA  25  13.636   6.170  -2.582
  459   2HB   ALA  25          2HB       ALA  25  14.294   5.463  -1.105
  460   3HB   ALA  25          3HB       ALA  25  15.174   6.744  -1.939
  461    H    LEU  26           H        LEU  26  14.654   2.583  -1.914
  462    HA   LEU  26           HA       LEU  26  16.783   2.426   0.009
  463   1HB   LEU  26          1HB       LEU  26  14.583   0.545  -0.812
  464   2HB   LEU  26          2HB       LEU  26  15.816   0.079   0.344
  465    HG   LEU  26           HG       LEU  26  13.743   2.244   0.647
  466   1HD1  LEU  26          1HD1      LEU  26  14.262  -0.415   1.913
  467   2HD1  LEU  26          2HD1      LEU  26  13.380   0.839   2.785
  468   3HD1  LEU  26          3HD1      LEU  26  12.764   0.235   1.247
  469   1HD2  LEU  26          1HD2      LEU  26  16.177   1.665   2.321
  470   2HD2  LEU  26          2HD2      LEU  26  15.728   3.186   1.551
  471   3HD2  LEU  26          3HD2      LEU  26  14.787   2.575   2.911
  472    H    ARG  27           H        ARG  27  15.863   0.438  -2.809
  473    HA   ARG  27           HA       ARG  27  18.214  -1.125  -2.777
  474   1HB   ARG  27          1HB       ARG  27  17.540  -1.700  -5.145
  475   2HB   ARG  27          2HB       ARG  27  16.335  -2.020  -3.907
  476   1HG   ARG  27          1HG       ARG  27  15.779   0.563  -4.746
  477   2HG   ARG  27          2HG       ARG  27  16.194  -0.303  -6.225
  478   1HD   ARG  27          1HD       ARG  27  14.604  -2.130  -5.096
  479   2HD   ARG  27          2HD       ARG  27  13.913  -0.676  -4.374
  480    HE   ARG  27           HE       ARG  27  13.037  -0.126  -6.414
  481   1HH1  ARG  27          1HH1      ARG  27  15.499  -2.557  -6.871
  482   2HH1  ARG  27          2HH1      ARG  27  15.143  -2.780  -8.550
  483   1HH2  ARG  27          1HH2      ARG  27  12.569  -0.416  -8.624
  484   2HH2  ARG  27          2HH2      ARG  27  13.481  -1.564  -9.546
  485    H    HIS  28           H        HIS  28  17.325   1.777  -4.618
  486    HA   HIS  28           HA       HIS  28  19.595   1.890  -6.251
  487   1HB   HIS  28          1HB       HIS  28  17.681   3.980  -5.248
  488   2HB   HIS  28          2HB       HIS  28  19.070   4.430  -6.230
  489    HD1  HIS  28           HD1      HIS  28  15.954   4.604  -7.068
  490    HD2  HIS  28           HD2      HIS  28  18.740   1.768  -8.275
  491    HE1  HIS  28           HE1      HIS  28  15.109   3.667  -9.260
  492    H    LYS  29           H        LYS  29  18.964   3.778  -3.286
  493    HA   LYS  29           HA       LYS  29  21.629   4.718  -3.075
  494   1HB   LYS  29          1HB       LYS  29  19.233   5.343  -1.881
  495   2HB   LYS  29          2HB       LYS  29  20.121   4.589  -0.564
  496   1HG   LYS  29          1HG       LYS  29  21.824   6.196  -0.643
  497   2HG   LYS  29          2HG       LYS  29  21.321   6.772  -2.234
  498   1HD   LYS  29          1HD       LYS  29  19.424   6.956   0.066
  499   2HD   LYS  29          2HD       LYS  29  20.727   8.138  -0.081
  500   1HE   LYS  29          1HE       LYS  29  19.958   8.710  -2.329
  501   2HE   LYS  29          2HE       LYS  29  18.668   7.515  -2.197
  502   1HZ   LYS  29          1HZ       LYS  29  18.980   9.920  -0.482
  503   2HZ   LYS  29          2HZ       LYS  29  17.859   9.739  -1.734
  504   3HZ   LYS  29          3HZ       LYS  29  17.743   8.773  -0.350
  505    H    GLY  30           H        GLY  30  19.860   2.115  -1.427
  506   1HA   GLY  30          1HA       GLY  30  22.336   1.253  -0.126
  507   2HA   GLY  30          2HA       GLY  30  20.721   0.656   0.222
  508   1HN   NH2  31          1HN       NH2  31  23.011   0.763  -2.494
  509   2HN   NH2  31          2HN       NH2  31  22.738  -0.864  -3.009
  Start of MODEL   21
    1   1H    ACE   0          1H        ACE   0 -21.189   6.123  -1.135
    2   2H    ACE   0          2H        ACE   0 -22.639   6.157  -2.139
    3   3H    ACE   0          3H        ACE   0 -21.248   7.155  -2.564
    4    H    GLU   1           H        GLU   1 -19.493   6.229  -3.608
    5    HA   GLU   1           HA       GLU   1 -19.979   4.018  -5.260
    6   1HB   GLU   1          1HB       GLU   1 -17.666   4.213  -5.943
    7   2HB   GLU   1          2HB       GLU   1 -18.361   5.819  -5.773
    8   1HG   GLU   1          1HG       GLU   1 -17.313   5.428  -3.299
    9   2HG   GLU   1          2HG       GLU   1 -16.169   4.546  -4.310
   10    H    VAL   2           H        VAL   2 -20.241   1.999  -4.569
   11    HA   VAL   2           HA       VAL   2 -18.806   1.043  -2.225
   12    HB   VAL   2           HB       VAL   2 -20.804  -0.453  -3.925
   13   1HG1  VAL   2          1HG1      VAL   2 -19.098  -1.470  -2.092
   14   2HG1  VAL   2          2HG1      VAL   2 -20.473  -1.063  -1.066
   15   3HG1  VAL   2          3HG1      VAL   2 -20.689  -2.145  -2.442
   16   1HG2  VAL   2          1HG2      VAL   2 -21.360   1.809  -2.504
   17   2HG2  VAL   2          2HG2      VAL   2 -22.518   0.527  -2.861
   18   3HG2  VAL   2          3HG2      VAL   2 -21.674   0.547  -1.312
   19    H    ALA   3           H        ALA   3 -19.335  -0.122  -5.560
   20    HA   ALA   3           HA       ALA   3 -17.483  -2.185  -5.539
   21   1HB   ALA   3          1HB       ALA   3 -18.515  -0.461  -7.769
   22   2HB   ALA   3          2HB       ALA   3 -17.391  -1.789  -8.053
   23   3HB   ALA   3          3HB       ALA   3 -18.974  -2.110  -7.347
   24    H    GLN   4           H        GLN   4 -16.961   1.244  -5.795
   25    HA   GLN   4           HA       GLN   4 -14.258   0.984  -6.772
   26   1HB   GLN   4          1HB       GLN   4 -15.934   3.304  -5.854
   27   2HB   GLN   4          2HB       GLN   4 -14.219   3.491  -6.193
   28   1HG   GLN   4          1HG       GLN   4 -14.535   3.476  -8.397
   29   2HG   GLN   4          2HG       GLN   4 -15.664   2.126  -8.319
   30   1HE2  GLN   4          2HE2      GLN   4 -17.644   2.567  -8.936
   31   2HE2  GLN   4          1HE2      GLN   4 -18.411   4.115  -8.887
   32    H    LEU   5           H        LEU   5 -15.549   0.272  -3.862
   33    HA   LEU   5           HA       LEU   5 -13.141   1.151  -2.412
   34   1HB   LEU   5          1HB       LEU   5 -15.928   0.668  -1.359
   35   2HB   LEU   5          2HB       LEU   5 -14.530   0.972  -0.346
   36    HG   LEU   5           HG       LEU   5 -15.556   2.915  -2.414
   37   1HD1  LEU   5          1HD1      LEU   5 -16.116   2.683   0.529
   38   2HD1  LEU   5          2HD1      LEU   5 -16.322   4.187  -0.369
   39   3HD1  LEU   5          3HD1      LEU   5 -17.270   2.764  -0.801
   40   1HD2  LEU   5          1HD2      LEU   5 -13.113   2.955  -1.636
   41   2HD2  LEU   5          2HD2      LEU   5 -14.035   4.455  -1.544
   42   3HD2  LEU   5          3HD2      LEU   5 -13.758   3.499  -0.087
   43    H    GLU   6           H        GLU   6 -15.485  -1.458  -2.862
   44    HA   GLU   6           HA       GLU   6 -14.374  -3.338  -1.121
   45   1HB   GLU   6          1HB       GLU   6 -15.793  -3.793  -3.752
   46   2HB   GLU   6          2HB       GLU   6 -15.486  -5.035  -2.550
   47   1HG   GLU   6          1HG       GLU   6 -16.784  -2.881  -1.252
   48   2HG   GLU   6          2HG       GLU   6 -17.665  -3.228  -2.737
   49    H    LYS   7           H        LYS   7 -14.089  -3.592  -4.654
   50    HA   LYS   7           HA       LYS   7 -11.866  -5.270  -4.639
   51   1HB   LYS   7          1HB       LYS   7 -11.521  -4.251  -7.024
   52   2HB   LYS   7          2HB       LYS   7 -12.938  -5.235  -6.686
   53   1HG   LYS   7          1HG       LYS   7 -14.345  -3.349  -6.568
   54   2HG   LYS   7          2HG       LYS   7 -12.976  -2.239  -6.495
   55   1HD   LYS   7          1HD       LYS   7 -12.526  -3.584  -8.843
   56   2HD   LYS   7          2HD       LYS   7 -14.286  -3.465  -8.804
   57   1HE   LYS   7          1HE       LYS   7 -14.221  -1.300  -9.314
   58   2HE   LYS   7          2HE       LYS   7 -13.072  -0.970  -8.018
   59   1HZ   LYS   7          1HZ       LYS   7 -11.318  -1.834  -9.570
   60   2HZ   LYS   7          2HZ       LYS   7 -12.478  -1.800 -10.800
   61   3HZ   LYS   7          3HZ       LYS   7 -12.027  -0.367 -10.025
   62    H    GLU   8           H        GLU   8 -12.081  -1.854  -4.180
   63    HA   GLU   8           HA       GLU   8  -9.523  -1.044  -4.944
   64   1HB   GLU   8          1HB       GLU   8 -11.495   0.394  -4.204
   65   2HB   GLU   8          2HB       GLU   8 -10.985   0.062  -2.555
   66   1HG   GLU   8          1HG       GLU   8  -9.145   1.377  -2.711
   67   2HG   GLU   8          2HG       GLU   8  -8.936   1.074  -4.433
   68    H    VAL   9           H        VAL   9 -10.635  -2.804  -2.159
   69    HA   VAL   9           HA       VAL   9  -8.296  -2.418  -0.565
   70    HB   VAL   9           HB       VAL   9 -10.491  -4.491  -0.418
   71   1HG1  VAL   9          1HG1      VAL   9  -8.199  -3.976   1.474
   72   2HG1  VAL   9          2HG1      VAL   9  -9.622  -4.937   1.876
   73   3HG1  VAL   9          3HG1      VAL   9  -8.539  -5.461   0.586
   74   1HG2  VAL   9          1HG2      VAL   9 -11.140  -2.147   0.022
   75   2HG2  VAL   9          2HG2      VAL   9 -11.313  -3.184   1.437
   76   3HG2  VAL   9          3HG2      VAL   9  -9.940  -2.084   1.313
   77    H    ALA  10           H        ALA  10  -9.530  -5.249  -2.362
   78    HA   ALA  10           HA       ALA  10  -7.299  -6.880  -2.068
   79   1HB   ALA  10          1HB       ALA  10  -9.703  -7.174  -3.257
   80   2HB   ALA  10          2HB       ALA  10  -8.664  -7.042  -4.675
   81   3HB   ALA  10          3HB       ALA  10  -8.357  -8.294  -3.472
   82    H    GLN  11           H        GLN  11  -7.808  -4.123  -4.102
   83    HA   GLN  11           HA       GLN  11  -5.782  -4.604  -6.012
   84   1HB   GLN  11          1HB       GLN  11  -7.509  -2.968  -6.441
   85   2HB   GLN  11          2HB       GLN  11  -7.037  -2.034  -5.030
   86   1HG   GLN  11          1HG       GLN  11  -5.712  -0.827  -6.320
   87   2HG   GLN  11          2HG       GLN  11  -4.735  -2.263  -6.617
   88   1HE2  GLN  11          2HE2      GLN  11  -6.960  -0.023  -7.915
   89   2HE2  GLN  11          1HE2      GLN  11  -7.061  -0.693  -9.504
   90    H    LEU  12           H        LEU  12  -5.802  -2.556  -3.084
   91    HA   LEU  12           HA       LEU  12  -3.000  -2.021  -3.244
   92   1HB   LEU  12          1HB       LEU  12  -4.875  -1.691  -0.901
   93   2HB   LEU  12          2HB       LEU  12  -3.272  -0.997  -1.042
   94    HG   LEU  12           HG       LEU  12  -5.522  -0.329  -2.933
   95   1HD1  LEU  12          1HD1      LEU  12  -4.644   1.036  -0.400
   96   2HD1  LEU  12          2HD1      LEU  12  -5.636   1.807  -1.636
   97   3HD1  LEU  12          3HD1      LEU  12  -6.239   0.389  -0.778
   98   1HD2  LEU  12          1HD2      LEU  12  -2.711   0.552  -2.560
   99   2HD2  LEU  12          2HD2      LEU  12  -3.646   0.344  -4.040
  100   3HD2  LEU  12          3HD2      LEU  12  -3.902   1.766  -3.030
  101    H    GLU  13           H        GLU  13  -4.986  -4.420  -1.657
  102    HA   GLU  13           HA       GLU  13  -3.139  -5.353   0.231
  103   1HB   GLU  13          1HB       GLU  13  -5.550  -6.476  -1.104
  104   2HB   GLU  13          2HB       GLU  13  -4.480  -7.604  -0.283
  105   1HG   GLU  13          1HG       GLU  13  -4.741  -6.417   1.793
  106   2HG   GLU  13          2HG       GLU  13  -5.694  -5.166   0.997
  107    H    ALA  14           H        ALA  14  -3.318  -5.781  -3.201
  108    HA   ALA  14           HA       ALA  14  -1.432  -7.997  -3.193
  109   1HB   ALA  14          1HB       ALA  14  -3.450  -7.606  -4.818
  110   2HB   ALA  14          2HB       ALA  14  -2.286  -6.611  -5.691
  111   3HB   ALA  14          3HB       ALA  14  -1.950  -8.318  -5.409
  112    H    GLU  15           H        GLU  15  -1.550  -4.566  -3.972
  113    HA   GLU  15           HA       GLU  15   1.162  -4.521  -4.965
  114   1HB   GLU  15          1HB       GLU  15  -0.788  -2.990  -5.684
  115   2HB   GLU  15          2HB       GLU  15  -0.453  -2.100  -4.205
  116   1HG   GLU  15          1HG       GLU  15   1.114  -0.965  -5.266
  117   2HG   GLU  15          2HG       GLU  15   2.015  -2.461  -5.508
  118    H    ASN  16           H        ASN  16  -0.526  -3.084  -2.170
  119    HA   ASN  16           HA       ASN  16   1.647  -2.003  -0.858
  120   1HB   ASN  16          1HB       ASN  16  -0.652  -1.611  -0.147
  121   2HB   ASN  16          2HB       ASN  16  -0.817  -3.293   0.341
  122   1HD2  ASN  16          2HD2      ASN  16  -1.450  -2.231   2.371
  123   2HD2  ASN  16          1HD2      ASN  16  -0.210  -1.813   3.499
  124    H    TYR  17           H        TYR  17   0.629  -5.339  -1.049
  125    HA   TYR  17           HA       TYR  17   2.348  -6.258   1.058
  126   1HB   TYR  17          1HB       TYR  17   0.351  -7.521   0.571
  127   2HB   TYR  17          2HB       TYR  17   0.834  -7.725  -1.109
  128    HD1  TYR  17           HD1      TYR  17   2.708  -8.214   2.086
  129    HD2  TYR  17           HD2      TYR  17   1.198  -9.980  -1.477
  130    HE1  TYR  17           HE1      TYR  17   3.821 -10.327   2.669
  131    HE2  TYR  17           HE2      TYR  17   2.307 -12.098  -0.905
  132    HH   TYR  17           HH       TYR  17   3.092 -13.180   1.482
  133    H    GLN  18           H        GLN  18   2.479  -6.199  -2.478
  134    HA   GLN  18           HA       GLN  18   4.788  -7.703  -2.856
  135   1HB   GLN  18          1HB       GLN  18   3.065  -6.451  -4.510
  136   2HB   GLN  18          2HB       GLN  18   4.432  -5.350  -4.618
  137   1HG   GLN  18          1HG       GLN  18   5.128  -8.183  -4.871
  138   2HG   GLN  18          2HG       GLN  18   4.088  -7.558  -6.151
  139   1HE2  GLN  18          2HE2      GLN  18   7.092  -8.290  -5.709
  140   2HE2  GLN  18          1HE2      GLN  18   7.910  -7.008  -6.528
  141    H    LEU  19           H        LEU  19   4.412  -4.458  -1.678
  142    HA   LEU  19           HA       LEU  19   7.263  -3.906  -1.975
  143   1HB   LEU  19          1HB       LEU  19   5.078  -2.141  -0.880
  144   2HB   LEU  19          2HB       LEU  19   6.722  -1.652  -1.243
  145    HG   LEU  19           HG       LEU  19   4.755  -2.629  -3.313
  146   1HD1  LEU  19          1HD1      LEU  19   4.458  -0.317  -1.992
  147   2HD1  LEU  19          2HD1      LEU  19   5.604   0.198  -3.230
  148   3HD1  LEU  19          3HD1      LEU  19   4.060  -0.514  -3.700
  149   1HD2  LEU  19          1HD2      LEU  19   7.439  -2.626  -3.496
  150   2HD2  LEU  19          2HD2      LEU  19   6.366  -2.342  -4.866
  151   3HD2  LEU  19          3HD2      LEU  19   7.093  -0.977  -4.018
  152    H    GLU  20           H        GLU  20   4.789  -4.090   0.572
  153    HA   GLU  20           HA       GLU  20   6.297  -3.518   2.790
  154   1HB   GLU  20          1HB       GLU  20   3.782  -4.200   2.524
  155   2HB   GLU  20          2HB       GLU  20   4.378  -5.811   2.901
  156   1HG   GLU  20          1HG       GLU  20   5.340  -3.743   4.723
  157   2HG   GLU  20          2HG       GLU  20   3.589  -3.941   4.722
  158    H    GLN  21           H        GLN  21   6.412  -6.377   0.814
  159    HA   GLN  21           HA       GLN  21   8.072  -7.790   2.753
  160   1HB   GLN  21          1HB       GLN  21   6.191  -8.743   1.101
  161   2HB   GLN  21          2HB       GLN  21   7.586  -8.910   0.045
  162   1HG   GLN  21          1HG       GLN  21   7.101 -10.952   1.317
  163   2HG   GLN  21          2HG       GLN  21   8.703 -10.301   1.656
  164   1HE2  GLN  21          2HE2      GLN  21   9.253 -10.017   3.703
  165   2HE2  GLN  21          1HE2      GLN  21   8.171 -10.031   5.051
  166    H    GLU  22           H        GLU  22   8.323  -6.045  -0.253
  167    HA   GLU  22           HA       GLU  22  11.026  -6.924  -0.774
  168   1HB   GLU  22          1HB       GLU  22   9.175  -6.165  -2.472
  169   2HB   GLU  22          2HB       GLU  22   9.780  -4.555  -2.114
  170   1HG   GLU  22          1HG       GLU  22  11.951  -5.108  -2.910
  171   2HG   GLU  22          2HG       GLU  22  11.529  -6.815  -3.043
  172    H    VAL  23           H        VAL  23   9.451  -4.313   0.872
  173    HA   VAL  23           HA       VAL  23  11.716  -2.553   0.891
  174    HB   VAL  23           HB       VAL  23   9.338  -2.489   2.748
  175   1HG1  VAL  23          1HG1      VAL  23  11.672  -0.956   2.659
  176   2HG1  VAL  23          2HG1      VAL  23  10.416   0.058   1.949
  177   3HG1  VAL  23          3HG1      VAL  23  10.199  -0.612   3.565
  178   1HG2  VAL  23          1HG2      VAL  23   9.257  -2.298  -0.027
  179   2HG2  VAL  23          2HG2      VAL  23   8.012  -1.774   1.107
  180   3HG2  VAL  23          3HG2      VAL  23   9.224  -0.626   0.537
  181    H    ALA  24           H        ALA  24  10.446  -5.069   2.960
  182    HA   ALA  24           HA       ALA  24  11.855  -4.510   5.309
  183   1HB   ALA  24          1HB       ALA  24  10.164  -6.549   4.372
  184   2HB   ALA  24          2HB       ALA  24  11.638  -7.343   4.928
  185   3HB   ALA  24          3HB       ALA  24  10.736  -6.291   6.020
  186    H    GLN  25           H        GLN  25  12.829  -6.140   2.359
  187    HA   GLN  25           HA       GLN  25  15.329  -7.067   3.449
  188   1HB   GLN  25          1HB       GLN  25  14.527  -6.890   0.543
  189   2HB   GLN  25          2HB       GLN  25  15.793  -7.893   1.237
  190   1HG   GLN  25          1HG       GLN  25  13.858  -8.945   2.603
  191   2HG   GLN  25          2HG       GLN  25  12.831  -8.234   1.360
  192   1HE2  GLN  25          2HE2      GLN  25  15.685 -10.280   1.781
  193   2HE2  GLN  25          1HE2      GLN  25  15.383 -11.289   0.412
  194    H    LEU  26           H        LEU  26  14.233  -4.405   1.410
  195    HA   LEU  26           HA       LEU  26  16.736  -3.415   0.642
  196   1HB   LEU  26          1HB       LEU  26  14.086  -2.043   1.055
  197   2HB   LEU  26          2HB       LEU  26  15.495  -1.212   0.426
  198    HG   LEU  26           HG       LEU  26  14.039  -3.520  -0.859
  199   1HD1  LEU  26          1HD1      LEU  26  13.039  -1.211  -0.984
  200   2HD1  LEU  26          2HD1      LEU  26  14.471  -0.730  -1.895
  201   3HD1  LEU  26          3HD1      LEU  26  13.397  -1.976  -2.532
  202   1HD2  LEU  26          1HD2      LEU  26  16.586  -2.123  -1.658
  203   2HD2  LEU  26          2HD2      LEU  26  16.369  -3.833  -1.286
  204   3HD2  LEU  26          3HD2      LEU  26  15.640  -3.147  -2.738
  205    H    GLU  27           H        GLU  27  14.611  -1.986   3.127
  206    HA   GLU  27           HA       GLU  27  16.933  -0.765   4.386
  207   1HB   GLU  27          1HB       GLU  27  15.246   0.375   5.813
  208   2HB   GLU  27          2HB       GLU  27  15.002   0.653   4.094
  209   1HG   GLU  27          1HG       GLU  27  13.191  -0.914   4.037
  210   2HG   GLU  27          2HG       GLU  27  13.500  -1.396   5.705
  211    H    HIS  28           H        HIS  28  17.266  -3.369   4.679
  212    HA   HIS  28           HA       HIS  28  16.016  -4.501   6.973
  213   1HB   HIS  28          1HB       HIS  28  17.492  -5.519   4.929
  214   2HB   HIS  28          2HB       HIS  28  18.686  -5.516   6.223
  215    HD1  HIS  28           HD1      HIS  28  15.250  -6.935   5.442
  216    HD2  HIS  28           HD2      HIS  28  18.447  -7.523   8.029
  217    HE1  HIS  28           HE1      HIS  28  14.765  -9.079   6.693
  218    H    GLU  29           H        GLU  29  18.934  -2.633   6.432
  219    HA   GLU  29           HA       GLU  29  20.045  -3.074   9.023
  220   1HB   GLU  29          1HB       GLU  29  21.573  -1.234   8.446
  221   2HB   GLU  29          2HB       GLU  29  21.463  -2.423   7.155
  222   1HG   GLU  29          1HG       GLU  29  21.048  -0.759   5.760
  223   2HG   GLU  29          2HG       GLU  29  19.497  -0.542   6.568
  224    H    GLY  30           H        GLY  30  17.824  -0.749   7.646
  225   1HA   GLY  30          1HA       GLY  30  16.240   0.137   9.382
  226   2HA   GLY  30          2HA       GLY  30  17.684   0.598  10.272
  227   1HN   NH2  31          1HN       NH2  31  16.186   2.628  10.000
  228   2HN   NH2  31          2HN       NH2  31  16.632   3.673   8.699
  229   1H    ACE   0          1H        ACE   0 -18.987  -4.292   5.333
  230   2H    ACE   0          2H        ACE   0 -17.374  -3.593   5.197
  231   3H    ACE   0          3H        ACE   0 -17.873  -4.880   4.100
  232    H    GLU   1           H        GLU   1 -19.373  -1.827   5.178
  233    HA   GLU   1           HA       GLU   1 -20.173  -1.276   2.441
  234   1HB   GLU   1          1HB       GLU   1 -21.342   0.709   3.552
  235   2HB   GLU   1          2HB       GLU   1 -21.925  -0.895   3.969
  236   1HG   GLU   1          1HG       GLU   1 -20.811  -0.831   6.073
  237   2HG   GLU   1          2HG       GLU   1 -19.964   0.653   5.640
  238    H    VAL   2           H        VAL   2 -20.235   1.420   2.296
  239    HA   VAL   2           HA       VAL   2 -17.918   2.214   1.223
  240    HB   VAL   2           HB       VAL   2 -19.644   4.048   2.879
  241   1HG1  VAL   2          1HG1      VAL   2 -17.253   4.593   1.608
  242   2HG1  VAL   2          2HG1      VAL   2 -18.471   5.113   0.444
  243   3HG1  VAL   2          3HG1      VAL   2 -18.476   5.773   2.079
  244   1HG2  VAL   2          1HG2      VAL   2 -19.938   2.990   0.085
  245   2HG2  VAL   2          2HG2      VAL   2 -21.115   2.981   1.398
  246   3HG2  VAL   2          3HG2      VAL   2 -20.698   4.497   0.600
  247    H    GLN   3           H        GLN   3 -18.597   3.685   4.351
  248    HA   GLN   3           HA       GLN   3 -15.934   4.246   4.928
  249   1HB   GLN   3          1HB       GLN   3 -16.663   4.790   7.164
  250   2HB   GLN   3          2HB       GLN   3 -17.863   5.352   6.010
  251   1HG   GLN   3          1HG       GLN   3 -18.369   2.663   7.036
  252   2HG   GLN   3          2HG       GLN   3 -18.384   3.922   8.266
  253   1HE2  GLN   3          2HE2      GLN   3 -19.940   2.631   5.463
  254   2HE2  GLN   3          1HE2      GLN   3 -21.358   3.614   5.536
  255    H    ALA   4           H        ALA   4 -17.844   1.383   5.624
  256    HA   ALA   4           HA       ALA   4 -16.111   0.213   7.512
  257   1HB   ALA   4          1HB       ALA   4 -18.547  -0.441   6.454
  258   2HB   ALA   4          2HB       ALA   4 -17.498  -1.696   5.794
  259   3HB   ALA   4          3HB       ALA   4 -17.596  -1.453   7.539
  260    H    LEU   5           H        LEU   5 -15.932   0.472   4.060
  261    HA   LEU   5           HA       LEU   5 -13.630  -1.372   4.035
  262   1HB   LEU   5          1HB       LEU   5 -15.713  -0.685   2.042
  263   2HB   LEU   5          2HB       LEU   5 -14.108  -0.996   1.427
  264    HG   LEU   5           HG       LEU   5 -15.702  -2.922   3.121
  265   1HD1  LEU   5          1HD1      LEU   5 -15.542  -2.458   0.202
  266   2HD1  LEU   5          2HD1      LEU   5 -15.528  -4.133   0.755
  267   3HD1  LEU   5          3HD1      LEU   5 -16.871  -3.074   1.182
  268   1HD2  LEU   5          1HD2      LEU   5 -12.968  -2.809   2.654
  269   2HD2  LEU   5          2HD2      LEU   5 -13.884  -4.206   3.216
  270   3HD2  LEU   5          3HD2      LEU   5 -13.559  -4.000   1.495
  271    H    LYS   6           H        LYS   6 -14.878   1.639   2.760
  272    HA   LYS   6           HA       LYS   6 -12.763   2.750   1.472
  273   1HB   LYS   6          1HB       LYS   6 -14.874   3.859   1.533
  274   2HB   LYS   6          2HB       LYS   6 -14.837   3.959   3.285
  275   1HG   LYS   6          1HG       LYS   6 -13.635   5.853   3.273
  276   2HG   LYS   6          2HG       LYS   6 -12.605   5.311   1.946
  277   1HD   LYS   6          1HD       LYS   6 -13.745   7.058   0.960
  278   2HD   LYS   6          2HD       LYS   6 -14.749   5.680   0.505
  279   1HE   LYS   6          1HE       LYS   6 -16.114   7.546   1.288
  280   2HE   LYS   6          2HE       LYS   6 -16.257   6.155   2.363
  281   1HZ   LYS   6          1HZ       LYS   6 -14.352   8.349   2.910
  282   2HZ   LYS   6          2HZ       LYS   6 -15.961   8.422   3.427
  283   3HZ   LYS   6          3HZ       LYS   6 -14.949   7.183   3.981
  284    H    LYS   7           H        LYS   7 -13.336   2.679   4.953
  285    HA   LYS   7           HA       LYS   7 -11.061   4.247   5.637
  286   1HB   LYS   7          1HB       LYS   7 -12.778   2.364   7.252
  287   2HB   LYS   7          2HB       LYS   7 -11.501   3.356   7.942
  288   1HG   LYS   7          1HG       LYS   7 -12.660   5.337   7.544
  289   2HG   LYS   7          2HG       LYS   7 -13.732   4.580   6.364
  290   1HD   LYS   7          1HD       LYS   7 -15.056   4.846   8.281
  291   2HD   LYS   7          2HD       LYS   7 -14.572   3.150   8.310
  292   1HE   LYS   7          1HE       LYS   7 -13.585   3.408  10.279
  293   2HE   LYS   7          2HE       LYS   7 -12.617   4.748   9.668
  294   1HZ   LYS   7          1HZ       LYS   7 -14.967   5.946   9.990
  295   2HZ   LYS   7          2HZ       LYS   7 -15.072   4.789  11.219
  296   3HZ   LYS   7          3HZ       LYS   7 -13.785   5.888  11.198
  297    H    ARG   8           H        ARG   8 -11.697   0.788   5.387
  298    HA   ARG   8           HA       ARG   8  -9.204  -0.021   6.481
  299   1HB   ARG   8          1HB       ARG   8  -9.857  -2.201   6.035
  300   2HB   ARG   8          2HB       ARG   8 -11.393  -1.374   6.224
  301   1HG   ARG   8          1HG       ARG   8 -12.036  -2.048   4.216
  302   2HG   ARG   8          2HG       ARG   8 -10.637  -1.280   3.472
  303   1HD   ARG   8          1HD       ARG   8  -9.814  -3.288   3.005
  304   2HD   ARG   8          2HD       ARG   8  -9.703  -3.625   4.731
  305    HE   ARG   8           HE       ARG   8 -11.630  -4.671   2.891
  306   1HH1  ARG   8          1HH1      ARG   8 -11.076  -3.824   6.231
  307   2HH1  ARG   8          2HH1      ARG   8 -12.260  -4.932   6.839
  308   1HH2  ARG   8          1HH2      ARG   8 -13.188  -6.130   3.689
  309   2HH2  ARG   8          2HH2      ARG   8 -13.459  -6.242   5.396
  310    H    VAL   9           H        VAL   9 -10.223   0.961   3.309
  311    HA   VAL   9           HA       VAL   9  -8.112  -0.222   1.833
  312    HB   VAL   9           HB       VAL   9  -9.737   2.244   1.180
  313   1HG1  VAL   9          1HG1      VAL   9  -7.467   1.752  -0.037
  314   2HG1  VAL   9          2HG1      VAL   9  -8.421   0.532  -0.879
  315   3HG1  VAL   9          3HG1      VAL   9  -8.891   2.230  -0.958
  316   1HG2  VAL   9          1HG2      VAL   9 -10.729  -0.229   1.501
  317   2HG2  VAL   9          2HG2      VAL   9 -11.359   0.922   0.323
  318   3HG2  VAL   9          3HG2      VAL   9 -10.223  -0.327  -0.186
  319    H    GLN  10           H        GLN  10  -8.563   3.072   3.112
  320    HA   GLN  10           HA       GLN  10  -6.223   4.227   2.242
  321   1HB   GLN  10          1HB       GLN  10  -6.442   5.807   4.058
  322   2HB   GLN  10          2HB       GLN  10  -8.037   5.425   3.427
  323   1HG   GLN  10          1HG       GLN  10  -8.733   4.723   5.406
  324   2HG   GLN  10          2HG       GLN  10  -7.347   3.650   5.583
  325   1HE2  GLN  10          2HE2      GLN  10  -7.295   4.153   7.809
  326   2HE2  GLN  10          1HE2      GLN  10  -6.629   5.644   8.372
  327    H    ALA  11           H        ALA  11  -6.672   1.894   4.783
  328    HA   ALA  11           HA       ALA  11  -4.173   2.273   6.078
  329   1HB   ALA  11          1HB       ALA  11  -6.406   0.915   6.713
  330   2HB   ALA  11          2HB       ALA  11  -5.383  -0.413   6.168
  331   3HB   ALA  11          3HB       ALA  11  -4.842   0.637   7.479
  332    H    LEU  12           H        LEU  12  -5.061   0.763   3.129
  333    HA   LEU  12           HA       LEU  12  -2.677  -0.912   3.064
  334   1HB   LEU  12          1HB       LEU  12  -4.452  -0.605   0.696
  335   2HB   LEU  12          2HB       LEU  12  -3.599  -2.021   1.268
  336    HG   LEU  12           HG       LEU  12  -5.902  -0.961   2.860
  337   1HD1  LEU  12          1HD1      LEU  12  -6.552  -1.157   0.422
  338   2HD1  LEU  12          2HD1      LEU  12  -6.254  -2.887   0.584
  339   3HD1  LEU  12          3HD1      LEU  12  -7.495  -2.111   1.566
  340   1HD2  LEU  12          1HD2      LEU  12  -4.523  -2.739   3.797
  341   2HD2  LEU  12          2HD2      LEU  12  -6.147  -3.324   3.431
  342   3HD2  LEU  12          3HD2      LEU  12  -4.804  -3.724   2.360
  343    H    LYS  13           H        LYS  13  -4.059   1.890   1.418
  344    HA   LYS  13           HA       LYS  13  -1.733   2.195  -0.272
  345   1HB   LYS  13          1HB       LYS  13  -2.925   4.214  -1.111
  346   2HB   LYS  13          2HB       LYS  13  -3.841   2.724  -1.268
  347   1HG   LYS  13          1HG       LYS  13  -5.516   3.885  -0.361
  348   2HG   LYS  13          2HG       LYS  13  -4.670   3.636   1.167
  349   1HD   LYS  13          1HD       LYS  13  -4.400   5.829   1.372
  350   2HD   LYS  13          2HD       LYS  13  -3.467   5.845  -0.125
  351   1HE   LYS  13          1HE       LYS  13  -6.301   5.664  -0.661
  352   2HE   LYS  13          2HE       LYS  13  -5.934   7.065   0.343
  353   1HZ   LYS  13          1HZ       LYS  13  -4.329   6.514  -2.065
  354   2HZ   LYS  13          2HZ       LYS  13  -5.829   7.285  -2.206
  355   3HZ   LYS  13          3HZ       LYS  13  -4.600   7.986  -1.278
  356    H    ALA  14           H        ALA  14  -2.899   3.480   2.740
  357    HA   ALA  14           HA       ALA  14  -1.567   5.911   2.870
  358   1HB   ALA  14          1HB       ALA  14  -2.352   3.917   4.957
  359   2HB   ALA  14          2HB       ALA  14  -1.421   5.349   5.396
  360   3HB   ALA  14          3HB       ALA  14  -3.006   5.525   4.642
  361    H    ARG  15           H        ARG  15  -0.383   2.730   3.949
  362    HA   ARG  15           HA       ARG  15   2.278   3.749   4.376
  363   1HB   ARG  15          1HB       ARG  15   1.184   1.892   5.717
  364   2HB   ARG  15          2HB       ARG  15   1.421   0.856   4.315
  365   1HG   ARG  15          1HG       ARG  15   3.321   0.329   5.398
  366   2HG   ARG  15          2HG       ARG  15   3.916   1.787   4.600
  367   1HD   ARG  15          1HD       ARG  15   2.972   2.966   6.742
  368   2HD   ARG  15          2HD       ARG  15   3.137   1.359   7.448
  369    HE   ARG  15           HE       ARG  15   5.410   1.630   7.451
  370   1HH1  ARG  15          1HH1      ARG  15   3.988   4.050   5.378
  371   2HH1  ARG  15          2HH1      ARG  15   5.473   4.912   5.156
  372   1HH2  ARG  15          1HH2      ARG  15   7.364   2.763   7.161
  373   2HH2  ARG  15          2HH2      ARG  15   7.390   4.182   6.167
  374    H    ASN  16           H        ASN  16   0.687   1.589   2.056
  375    HA   ASN  16           HA       ASN  16   2.878   0.831   0.544
  376   1HB   ASN  16          1HB       ASN  16   0.676  -0.150   0.221
  377   2HB   ASN  16          2HB       ASN  16   0.048   1.380  -0.374
  378   1HD2  ASN  16          2HD2      ASN  16  -0.453  -0.484  -2.031
  379   2HD2  ASN  16          1HD2      ASN  16   0.645  -0.556  -3.362
  380    H    TYR  17           H        TYR  17   0.752   3.649   0.034
  381    HA   TYR  17           HA       TYR  17   1.990   4.694  -2.210
  382   1HB   TYR  17          1HB       TYR  17  -0.100   5.609  -1.413
  383   2HB   TYR  17          2HB       TYR  17   0.656   6.142   0.085
  384    HD1  TYR  17           HD1      TYR  17   1.662   6.498  -3.498
  385    HD2  TYR  17           HD2      TYR  17   0.647   8.455   0.142
  386    HE1  TYR  17           HE1      TYR  17   2.171   8.670  -4.531
  387    HE2  TYR  17           HE2      TYR  17   1.151  10.633  -0.882
  388    HH   TYR  17           HH       TYR  17   1.244  11.265  -3.909
  389    H    ALA  18           H        ALA  18   3.005   4.741   1.117
  390    HA   ALA  18           HA       ALA  18   5.008   6.772   0.758
  391   1HB   ALA  18          1HB       ALA  18   4.074   5.053   2.973
  392   2HB   ALA  18          2HB       ALA  18   5.754   5.589   3.047
  393   3HB   ALA  18          3HB       ALA  18   4.453   6.776   2.952
  394    H    LEU  19           H        LEU  19   5.003   3.225   1.023
  395    HA   LEU  19           HA       LEU  19   7.801   2.920   0.857
  396   1HB   LEU  19          1HB       LEU  19   6.064   0.816  -0.316
  397   2HB   LEU  19          2HB       LEU  19   7.448   0.661   0.742
  398    HG   LEU  19           HG       LEU  19   4.620   1.341   1.514
  399   1HD1  LEU  19          1HD1      LEU  19   6.488  -0.938   2.094
  400   2HD1  LEU  19          2HD1      LEU  19   5.026  -0.637   3.034
  401   3HD1  LEU  19          3HD1      LEU  19   4.909  -0.989   1.309
  402   1HD2  LEU  19          1HD2      LEU  19   7.166   1.886   2.914
  403   2HD2  LEU  19          2HD2      LEU  19   5.611   2.710   3.022
  404   3HD2  LEU  19          3HD2      LEU  19   5.864   1.188   3.876
  405    H    LYS  20           H        LYS  20   5.298   2.492  -1.647
  406    HA   LYS  20           HA       LYS  20   6.791   1.966  -3.850
  407   1HB   LYS  20          1HB       LYS  20   4.192   2.670  -3.414
  408   2HB   LYS  20          2HB       LYS  20   4.771   4.051  -4.336
  409   1HG   LYS  20          1HG       LYS  20   5.606   2.448  -6.060
  410   2HG   LYS  20          2HG       LYS  20   4.799   1.160  -5.166
  411   1HD   LYS  20          1HD       LYS  20   2.808   3.012  -5.396
  412   2HD   LYS  20          2HD       LYS  20   3.680   3.231  -6.913
  413   1HE   LYS  20          1HE       LYS  20   3.536   0.499  -6.689
  414   2HE   LYS  20          2HE       LYS  20   1.992   1.022  -6.016
  415   1HZ   LYS  20          1HZ       LYS  20   1.784   2.429  -8.089
  416   2HZ   LYS  20          2HZ       LYS  20   3.071   1.535  -8.723
  417   3HZ   LYS  20          3HZ       LYS  20   1.629   0.758  -8.299
  418    H    GLN  21           H        GLN  21   6.640   5.001  -2.146
  419    HA   GLN  21           HA       GLN  21   7.995   6.456  -4.247
  420   1HB   GLN  21          1HB       GLN  21   6.307   7.617  -2.963
  421   2HB   GLN  21          2HB       GLN  21   7.148   7.255  -1.462
  422   1HG   GLN  21          1HG       GLN  21   8.508   9.001  -1.680
  423   2HG   GLN  21          2HG       GLN  21   8.827   8.651  -3.378
  424   1HE2  GLN  21          2HE2      GLN  21   8.443  10.425  -4.494
  425   2HE2  GLN  21          1HE2      GLN  21   7.052  11.438  -4.345
  426    H    LYS  22           H        LYS  22   8.761   5.156  -1.045
  427    HA   LYS  22           HA       LYS  22  11.485   6.158  -1.217
  428   1HB   LYS  22          1HB       LYS  22  11.745   5.227   1.041
  429   2HB   LYS  22          2HB       LYS  22  10.354   6.296   0.926
  430   1HG   LYS  22          1HG       LYS  22   8.994   4.697   1.622
  431   2HG   LYS  22          2HG       LYS  22   9.559   3.603   0.360
  432   1HD   LYS  22          1HD       LYS  22   9.981   2.546   2.454
  433   2HD   LYS  22          2HD       LYS  22  11.535   3.089   1.819
  434   1HE   LYS  22          1HE       LYS  22  11.356   3.572   4.197
  435   2HE   LYS  22          2HE       LYS  22  11.434   5.063   3.259
  436   1HZ   LYS  22          1HZ       LYS  22   8.766   4.058   3.803
  437   2HZ   LYS  22          2HZ       LYS  22   9.625   4.604   5.155
  438   3HZ   LYS  22          3HZ       LYS  22   9.357   5.643   3.847
  439    H    VAL  23           H        VAL  23   9.792   3.232  -1.892
  440    HA   VAL  23           HA       VAL  23  11.501   1.193  -1.416
  441    HB   VAL  23           HB       VAL  23   9.939   1.656  -3.961
  442   1HG1  VAL  23          1HG1      VAL  23  11.699  -0.568  -3.134
  443   2HG1  VAL  23          2HG1      VAL  23  10.134  -1.020  -3.810
  444   3HG1  VAL  23          3HG1      VAL  23  11.244  -0.019  -4.747
  445   1HG2  VAL  23          1HG2      VAL  23   9.179   0.984  -1.302
  446   2HG2  VAL  23          2HG2      VAL  23   8.162   1.144  -2.732
  447   3HG2  VAL  23          3HG2      VAL  23   8.886  -0.414  -2.336
  448    H    GLN  24           H        GLN  24  11.789   3.513  -4.084
  449    HA   GLN  24           HA       GLN  24  14.134   2.286  -5.171
  450   1HB   GLN  24          1HB       GLN  24  14.280   4.306  -6.572
  451   2HB   GLN  24          2HB       GLN  24  12.673   3.597  -6.603
  452   1HG   GLN  24          1HG       GLN  24  11.922   5.278  -4.973
  453   2HG   GLN  24          2HG       GLN  24  13.526   6.008  -5.016
  454   1HE2  GLN  24          2HE2      GLN  24  11.023   7.242  -5.679
  455   2HE2  GLN  24          1HE2      GLN  24  11.124   7.734  -7.332
  456    H    ALA  25           H        ALA  25  13.475   4.852  -2.885
  457    HA   ALA  25           HA       ALA  25  16.079   5.939  -2.764
  458   1HB   ALA  25          1HB       ALA  25  13.755   6.757  -1.794
  459   2HB   ALA  25          2HB       ALA  25  14.361   5.961  -0.342
  460   3HB   ALA  25          3HB       ALA  25  15.287   7.264  -1.084
  461    H    LEU  26           H        LEU  26  14.582   3.164  -1.268
  462    HA   LEU  26           HA       LEU  26  16.576   2.761   0.734
  463   1HB   LEU  26          1HB       LEU  26  14.736   0.680  -0.440
  464   2HB   LEU  26          2HB       LEU  26  15.521   0.643   1.128
  465    HG   LEU  26           HG       LEU  26  13.372   2.597   0.317
  466   1HD1  LEU  26          1HD1      LEU  26  12.993  -0.034   0.813
  467   2HD1  LEU  26          2HD1      LEU  26  12.863   0.636   2.439
  468   3HD1  LEU  26          3HD1      LEU  26  11.808   1.225   1.155
  469   1HD2  LEU  26          1HD2      LEU  26  15.254   3.001   2.201
  470   2HD2  LEU  26          2HD2      LEU  26  13.608   3.623   2.311
  471   3HD2  LEU  26          3HD2      LEU  26  14.045   2.133   3.147
  472    H    ARG  27           H        ARG  27  15.819   0.834  -2.173
  473    HA   ARG  27           HA       ARG  27  18.116  -0.717  -2.168
  474   1HB   ARG  27          1HB       ARG  27  17.674  -0.938  -4.669
  475   2HB   ARG  27          2HB       ARG  27  16.370  -1.401  -3.590
  476   1HG   ARG  27          1HG       ARG  27  15.799   1.215  -4.052
  477   2HG   ARG  27          2HG       ARG  27  16.506   0.714  -5.591
  478   1HD   ARG  27          1HD       ARG  27  14.525  -1.089  -4.316
  479   2HD   ARG  27          2HD       ARG  27  13.934   0.394  -5.050
  480    HE   ARG  27           HE       ARG  27  14.705  -1.935  -6.412
  481   1HH1  ARG  27          1HH1      ARG  27  15.055   1.532  -6.649
  482   2HH1  ARG  27          2HH1      ARG  27  15.218   1.520  -8.371
  483   1HH2  ARG  27          1HH2      ARG  27  14.918  -1.947  -8.675
  484   2HH2  ARG  27          2HH2      ARG  27  15.140  -0.452  -9.522
  485    H    HIS  28           H        HIS  28  17.727   2.595  -3.084
  486    HA   HIS  28           HA       HIS  28  20.155   2.706  -4.640
  487   1HB   HIS  28          1HB       HIS  28  18.018   4.607  -3.862
  488   2HB   HIS  28          2HB       HIS  28  19.609   5.303  -4.150
  489    HD1  HIS  28           HD1      HIS  28  17.242   5.939  -6.046
  490    HD2  HIS  28           HD2      HIS  28  20.009   2.902  -6.660
  491    HE1  HIS  28           HE1      HIS  28  17.229   5.458  -8.529
  492    H    LYS  29           H        LYS  29  19.105   4.068  -1.515
  493    HA   LYS  29           HA       LYS  29  21.769   4.876  -0.822
  494   1HB   LYS  29          1HB       LYS  29  19.077   5.089   0.354
  495   2HB   LYS  29          2HB       LYS  29  20.382   4.975   1.523
  496   1HG   LYS  29          1HG       LYS  29  20.841   7.118   1.241
  497   2HG   LYS  29          2HG       LYS  29  21.159   6.837  -0.471
  498   1HD   LYS  29          1HD       LYS  29  18.322   6.867   0.041
  499   2HD   LYS  29          2HD       LYS  29  19.079   8.339   0.653
  500   1HE   LYS  29          1HE       LYS  29  19.926   8.912  -1.464
  501   2HE   LYS  29          2HE       LYS  29  19.641   7.294  -2.106
  502   1HZ   LYS  29          1HZ       LYS  29  17.172   7.930  -1.506
  503   2HZ   LYS  29          2HZ       LYS  29  17.763   9.500  -1.724
  504   3HZ   LYS  29          3HZ       LYS  29  17.866   8.376  -2.982
  505    H    GLY  30           H        GLY  30  22.219   4.222   1.722
  506   1HA   GLY  30          1HA       GLY  30  21.735   1.657   2.629
  507   2HA   GLY  30          2HA       GLY  30  23.112   1.521   1.547
  508   1HN   NH2  31          1HN       NH2  31  24.198   4.110   2.183
  509   2HN   NH2  31          2HN       NH2  31  24.871   3.996   3.769
  Start of MODEL   22
    1   1H    ACE   0          1H        ACE   0 -23.358   4.743  -3.971
    2   2H    ACE   0          2H        ACE   0 -22.768   4.230  -2.391
    3   3H    ACE   0          3H        ACE   0 -23.732   3.127  -3.372
    4    H    GLU   1           H        GLU   1 -20.588   4.326  -2.698
    5    HA   GLU   1           HA       GLU   1 -19.392   3.134  -5.067
    6   1HB   GLU   1          1HB       GLU   1 -18.437   4.884  -2.854
    7   2HB   GLU   1          2HB       GLU   1 -17.255   3.906  -3.712
    8   1HG   GLU   1          1HG       GLU   1 -18.172   4.911  -5.845
    9   2HG   GLU   1          2HG       GLU   1 -19.039   6.053  -4.818
   10    H    VAL   2           H        VAL   2 -20.716   1.502  -2.983
   11    HA   VAL   2           HA       VAL   2 -19.132   0.135  -1.254
   12    HB   VAL   2           HB       VAL   2 -21.172  -1.082  -3.118
   13   1HG1  VAL   2          1HG1      VAL   2 -19.447  -2.336  -1.267
   14   2HG1  VAL   2          2HG1      VAL   2 -21.055  -2.328  -0.544
   15   3HG1  VAL   2          3HG1      VAL   2 -20.808  -3.045  -2.136
   16   1HG2  VAL   2          1HG2      VAL   2 -21.382   0.392  -0.524
   17   2HG2  VAL   2          2HG2      VAL   2 -22.339   0.569  -1.996
   18   3HG2  VAL   2          3HG2      VAL   2 -22.579  -0.831  -0.950
   19    H    ALA   3           H        ALA   3 -19.710  -1.062  -4.573
   20    HA   ALA   3           HA       ALA   3 -17.660  -2.962  -4.547
   21   1HB   ALA   3          1HB       ALA   3 -19.657  -2.348  -6.268
   22   2HB   ALA   3          2HB       ALA   3 -18.255  -1.771  -7.167
   23   3HB   ALA   3          3HB       ALA   3 -18.332  -3.451  -6.636
   24    H    GLN   4           H        GLN   4 -17.665   0.394  -5.694
   25    HA   GLN   4           HA       GLN   4 -15.179   0.528  -6.875
   26   1HB   GLN   4          1HB       GLN   4 -17.084   2.338  -6.417
   27   2HB   GLN   4          2HB       GLN   4 -15.977   2.804  -5.132
   28   1HG   GLN   4          1HG       GLN   4 -14.594   3.797  -6.554
   29   2HG   GLN   4          2HG       GLN   4 -14.602   2.414  -7.647
   30   1HE2  GLN   4          2HE2      GLN   4 -15.180   2.985  -9.606
   31   2HE2  GLN   4          1HE2      GLN   4 -16.399   4.137 -10.020
   32    H    LEU   5           H        LEU   5 -15.976   0.309  -3.498
   33    HA   LEU   5           HA       LEU   5 -13.217   0.856  -2.706
   34   1HB   LEU   5          1HB       LEU   5 -15.594   0.205  -0.964
   35   2HB   LEU   5          2HB       LEU   5 -14.037   0.808  -0.427
   36    HG   LEU   5           HG       LEU   5 -15.622   2.457  -2.345
   37   1HD1  LEU   5          1HD1      LEU   5 -16.228   2.076   0.571
   38   2HD1  LEU   5          2HD1      LEU   5 -16.642   3.558  -0.292
   39   3HD1  LEU   5          3HD1      LEU   5 -17.334   2.018  -0.803
   40   1HD2  LEU   5          1HD2      LEU   5 -13.209   2.772  -1.099
   41   2HD2  LEU   5          2HD2      LEU   5 -14.196   4.078  -1.756
   42   3HD2  LEU   5          3HD2      LEU   5 -14.295   3.675  -0.043
   43    H    GLU   6           H        GLU   6 -15.485  -1.758  -3.071
   44    HA   GLU   6           HA       GLU   6 -14.231  -3.712  -1.502
   45   1HB   GLU   6          1HB       GLU   6 -15.943  -3.905  -3.978
   46   2HB   GLU   6          2HB       GLU   6 -15.361  -5.326  -3.121
   47   1HG   GLU   6          1HG       GLU   6 -16.475  -3.784  -1.127
   48   2HG   GLU   6          2HG       GLU   6 -17.557  -3.541  -2.496
   49    H    LYS   7           H        LYS   7 -13.653  -2.660  -4.817
   50    HA   LYS   7           HA       LYS   7 -11.613  -4.689  -5.215
   51   1HB   LYS   7          1HB       LYS   7 -12.068  -2.429  -7.123
   52   2HB   LYS   7          2HB       LYS   7 -11.596  -4.088  -7.457
   53   1HG   LYS   7          1HG       LYS   7 -14.334  -3.136  -6.641
   54   2HG   LYS   7          2HG       LYS   7 -13.839  -3.682  -8.244
   55   1HD   LYS   7          1HD       LYS   7 -13.557  -5.462  -5.847
   56   2HD   LYS   7          2HD       LYS   7 -15.091  -5.334  -6.711
   57   1HE   LYS   7          1HE       LYS   7 -13.379  -5.709  -8.772
   58   2HE   LYS   7          2HE       LYS   7 -12.566  -6.624  -7.504
   59   1HZ   LYS   7          1HZ       LYS   7 -15.421  -7.076  -7.732
   60   2HZ   LYS   7          2HZ       LYS   7 -14.501  -7.616  -9.045
   61   3HZ   LYS   7          3HZ       LYS   7 -14.164  -8.182  -7.486
   62    H    GLU   8           H        GLU   8 -11.848  -1.325  -4.372
   63    HA   GLU   8           HA       GLU   8  -9.270  -0.479  -5.029
   64   1HB   GLU   8          1HB       GLU   8 -11.293   0.875  -4.191
   65   2HB   GLU   8          2HB       GLU   8 -10.700   0.498  -2.580
   66   1HG   GLU   8          1HG       GLU   8  -9.007   1.955  -2.732
   67   2HG   GLU   8          2HG       GLU   8  -8.666   1.538  -4.409
   68    H    VAL   9           H        VAL   9 -10.395  -2.514  -2.459
   69    HA   VAL   9           HA       VAL   9  -8.095  -2.192  -0.780
   70    HB   VAL   9           HB       VAL   9 -10.227  -4.335  -0.826
   71   1HG1  VAL   9          1HG1      VAL   9  -7.688  -4.282   0.531
   72   2HG1  VAL   9          2HG1      VAL   9  -9.012  -4.266   1.696
   73   3HG1  VAL   9          3HG1      VAL   9  -8.912  -5.551   0.493
   74   1HG2  VAL   9          1HG2      VAL   9  -9.804  -1.864   0.835
   75   2HG2  VAL   9          2HG2      VAL   9 -11.188  -2.273  -0.179
   76   3HG2  VAL   9          3HG2      VAL   9 -10.894  -3.163   1.315
   77    H    ALA  10           H        ALA  10  -9.245  -4.922  -2.776
   78    HA   ALA  10           HA       ALA  10  -6.981  -6.509  -2.594
   79   1HB   ALA  10          1HB       ALA  10  -9.233  -6.282  -4.493
   80   2HB   ALA  10          2HB       ALA  10  -7.803  -7.140  -5.067
   81   3HB   ALA  10          3HB       ALA  10  -8.631  -7.683  -3.608
   82    H    GLN  11           H        GLN  11  -7.531  -3.616  -4.417
   83    HA   GLN  11           HA       GLN  11  -5.478  -3.904  -6.337
   84   1HB   GLN  11          1HB       GLN  11  -7.227  -2.265  -6.647
   85   2HB   GLN  11          2HB       GLN  11  -6.780  -1.443  -5.161
   86   1HG   GLN  11          1HG       GLN  11  -5.178  -0.263  -6.161
   87   2HG   GLN  11          2HG       GLN  11  -4.580  -1.661  -7.053
   88   1HE2  GLN  11          2HE2      GLN  11  -4.380   0.326  -8.559
   89   2HE2  GLN  11          1HE2      GLN  11  -5.689   0.541  -9.667
   90    H    LEU  12           H        LEU  12  -5.561  -2.196  -3.206
   91    HA   LEU  12           HA       LEU  12  -2.747  -1.610  -3.311
   92   1HB   LEU  12          1HB       LEU  12  -4.633  -1.409  -0.966
   93   2HB   LEU  12          2HB       LEU  12  -3.049  -0.672  -1.095
   94    HG   LEU  12           HG       LEU  12  -5.329   0.022  -2.937
   95   1HD1  LEU  12          1HD1      LEU  12  -4.494   1.258  -0.327
   96   2HD1  LEU  12          2HD1      LEU  12  -5.471   2.100  -1.528
   97   3HD1  LEU  12          3HD1      LEU  12  -6.078   0.627  -0.772
   98   1HD2  LEU  12          1HD2      LEU  12  -2.941   0.468  -3.627
   99   2HD2  LEU  12          2HD2      LEU  12  -4.004   1.874  -3.577
  100   3HD2  LEU  12          3HD2      LEU  12  -2.852   1.594  -2.272
  101    H    GLU  13           H        GLU  13  -4.783  -4.082  -1.912
  102    HA   GLU  13           HA       GLU  13  -2.993  -5.129  -0.031
  103   1HB   GLU  13          1HB       GLU  13  -5.366  -6.160  -1.499
  104   2HB   GLU  13          2HB       GLU  13  -4.318  -7.346  -0.733
  105   1HG   GLU  13          1HG       GLU  13  -4.652  -6.363   1.413
  106   2HG   GLU  13          2HG       GLU  13  -5.506  -4.991   0.709
  107    H    ALA  14           H        ALA  14  -3.097  -5.381  -3.489
  108    HA   ALA  14           HA       ALA  14  -1.183  -7.572  -3.552
  109   1HB   ALA  14          1HB       ALA  14  -2.662  -6.057  -5.685
  110   2HB   ALA  14          2HB       ALA  14  -1.371  -7.198  -6.064
  111   3HB   ALA  14          3HB       ALA  14  -2.821  -7.753  -5.230
  112    H    GLU  15           H        GLU  15  -1.340  -4.113  -4.190
  113    HA   GLU  15           HA       GLU  15   1.377  -3.975  -5.142
  114   1HB   GLU  15          1HB       GLU  15  -0.482  -2.426  -5.868
  115   2HB   GLU  15          2HB       GLU  15  -0.390  -1.685  -4.276
  116   1HG   GLU  15          1HG       GLU  15   0.891  -0.293  -5.618
  117   2HG   GLU  15          2HG       GLU  15   2.082  -1.302  -4.799
  118    H    ASN  16           H        ASN  16  -0.335  -2.730  -2.270
  119    HA   ASN  16           HA       ASN  16   1.835  -1.722  -0.888
  120   1HB   ASN  16          1HB       ASN  16  -0.481  -1.375  -0.177
  121   2HB   ASN  16          2HB       ASN  16  -0.630  -3.078   0.235
  122   1HD2  ASN  16          2HD2      ASN  16  -1.290  -1.951   2.283
  123   2HD2  ASN  16          1HD2      ASN  16  -0.047  -1.640   3.440
  124    H    TYR  17           H        TYR  17   0.791  -5.035  -1.260
  125    HA   TYR  17           HA       TYR  17   2.449  -6.110   0.803
  126   1HB   TYR  17          1HB       TYR  17   0.508  -7.356   0.145
  127   2HB   TYR  17          2HB       TYR  17   1.018  -7.375  -1.539
  128    HD1  TYR  17           HD1      TYR  17   2.580  -8.310   1.735
  129    HD2  TYR  17           HD2      TYR  17   1.678  -9.454  -2.262
  130    HE1  TYR  17           HE1      TYR  17   3.700 -10.468   2.105
  131    HE2  TYR  17           HE2      TYR  17   2.793 -11.615  -1.903
  132    HH   TYR  17           HH       TYR  17   3.449 -13.075  -0.120
  133    H    GLN  18           H        GLN  18   2.738  -5.777  -2.706
  134    HA   GLN  18           HA       GLN  18   5.079  -7.225  -3.097
  135   1HB   GLN  18          1HB       GLN  18   3.506  -5.291  -4.577
  136   2HB   GLN  18          2HB       GLN  18   5.224  -5.089  -4.889
  137   1HG   GLN  18          1HG       GLN  18   4.856  -6.642  -6.460
  138   2HG   GLN  18          2HG       GLN  18   5.015  -7.763  -5.108
  139   1HE2  GLN  18          2HE2      GLN  18   3.115  -8.608  -4.152
  140   2HE2  GLN  18          1HE2      GLN  18   1.632  -8.675  -5.035
  141    H    LEU  19           H        LEU  19   4.622  -4.105  -1.657
  142    HA   LEU  19           HA       LEU  19   7.482  -3.514  -1.809
  143   1HB   LEU  19          1HB       LEU  19   5.300  -1.806  -0.632
  144   2HB   LEU  19          2HB       LEU  19   6.929  -1.309  -1.039
  145    HG   LEU  19           HG       LEU  19   4.806  -2.129  -3.023
  146   1HD1  LEU  19          1HD1      LEU  19   4.810   0.173  -1.672
  147   2HD1  LEU  19          2HD1      LEU  19   5.938   0.600  -2.958
  148   3HD1  LEU  19          3HD1      LEU  19   4.310   0.053  -3.358
  149   1HD2  LEU  19          1HD2      LEU  19   7.475  -2.360  -3.380
  150   2HD2  LEU  19          2HD2      LEU  19   6.330  -2.007  -4.674
  151   3HD2  LEU  19          3HD2      LEU  19   7.219  -0.696  -3.900
  152    H    GLU  20           H        GLU  20   4.900  -3.815   0.621
  153    HA   GLU  20           HA       GLU  20   6.340  -3.413   2.924
  154   1HB   GLU  20          1HB       GLU  20   3.802  -4.170   2.397
  155   2HB   GLU  20          2HB       GLU  20   4.447  -5.684   3.014
  156   1HG   GLU  20          1HG       GLU  20   4.502  -4.937   5.115
  157   2HG   GLU  20          2HG       GLU  20   5.148  -3.367   4.640
  158    H    GLN  21           H        GLN  21   6.428  -6.161   0.793
  159    HA   GLN  21           HA       GLN  21   7.901  -7.797   2.684
  160   1HB   GLN  21          1HB       GLN  21   6.303  -8.313   0.427
  161   2HB   GLN  21          2HB       GLN  21   7.927  -8.821  -0.012
  162   1HG   GLN  21          1HG       GLN  21   7.825  -9.967   2.364
  163   2HG   GLN  21          2HG       GLN  21   6.091  -9.896   2.052
  164   1HE2  GLN  21          2HE2      GLN  21   8.729 -11.790   1.781
  165   2HE2  GLN  21          1HE2      GLN  21   8.241 -12.805   0.470
  166    H    GLU  22           H        GLU  22   8.521  -5.747  -0.074
  167    HA   GLU  22           HA       GLU  22  11.255  -6.644  -0.369
  168   1HB   GLU  22          1HB       GLU  22   9.971  -5.907  -2.329
  169   2HB   GLU  22          2HB       GLU  22   9.810  -4.304  -1.626
  170   1HG   GLU  22          1HG       GLU  22  11.539  -4.025  -3.119
  171   2HG   GLU  22          2HG       GLU  22  12.390  -4.307  -1.601
  172    H    VAL  23           H        VAL  23   9.541  -3.909   1.025
  173    HA   VAL  23           HA       VAL  23  11.780  -2.288   1.573
  174    HB   VAL  23           HB       VAL  23   9.262  -2.358   3.227
  175   1HG1  VAL  23          1HG1      VAL  23  11.198  -0.156   2.530
  176   2HG1  VAL  23          2HG1      VAL  23   9.709   0.056   3.451
  177   3HG1  VAL  23          3HG1      VAL  23  11.014  -0.940   4.098
  178   1HG2  VAL  23          1HG2      VAL  23   9.464  -1.915   0.422
  179   2HG2  VAL  23          2HG2      VAL  23   8.044  -1.786   1.460
  180   3HG2  VAL  23          3HG2      VAL  23   9.079  -0.382   1.204
  181    H    ALA  24           H        ALA  24  10.160  -4.821   3.421
  182    HA   ALA  24           HA       ALA  24  11.462  -4.480   5.867
  183   1HB   ALA  24          1HB       ALA  24  10.062  -6.731   4.528
  184   2HB   ALA  24          2HB       ALA  24  11.045  -7.094   5.947
  185   3HB   ALA  24          3HB       ALA  24   9.719  -5.938   6.066
  186    H    GLN  25           H        GLN  25  12.568  -5.875   2.882
  187    HA   GLN  25           HA       GLN  25  14.943  -6.990   4.178
  188   1HB   GLN  25          1HB       GLN  25  14.273  -7.136   1.244
  189   2HB   GLN  25          2HB       GLN  25  15.358  -8.171   2.163
  190   1HG   GLN  25          1HG       GLN  25  12.409  -8.056   2.706
  191   2HG   GLN  25          2HG       GLN  25  13.111  -9.138   1.503
  192   1HE2  GLN  25          2HE2      GLN  25  15.006 -10.449   2.376
  193   2HE2  GLN  25          1HE2      GLN  25  14.783 -11.159   3.934
  194    H    LEU  26           H        LEU  26  13.988  -4.583   1.770
  195    HA   LEU  26           HA       LEU  26  16.541  -3.799   0.942
  196   1HB   LEU  26          1HB       LEU  26  13.901  -2.375   1.060
  197   2HB   LEU  26          2HB       LEU  26  15.343  -1.555   0.501
  198    HG   LEU  26           HG       LEU  26  14.177  -4.048  -0.737
  199   1HD1  LEU  26          1HD1      LEU  26  12.895  -1.850  -0.972
  200   2HD1  LEU  26          2HD1      LEU  26  14.257  -1.307  -1.953
  201   3HD1  LEU  26          3HD1      LEU  26  13.316  -2.713  -2.451
  202   1HD2  LEU  26          1HD2      LEU  26  16.540  -2.327  -1.455
  203   2HD2  LEU  26          2HD2      LEU  26  16.525  -4.051  -1.090
  204   3HD2  LEU  26          3HD2      LEU  26  15.787  -3.459  -2.578
  205    H    GLU  27           H        GLU  27  14.447  -1.914   3.128
  206    HA   GLU  27           HA       GLU  27  16.784  -0.619   4.256
  207   1HB   GLU  27          1HB       GLU  27  15.127   0.733   5.508
  208   2HB   GLU  27          2HB       GLU  27  14.860   0.767   3.771
  209   1HG   GLU  27          1HG       GLU  27  12.857  -0.222   3.929
  210   2HG   GLU  27          2HG       GLU  27  13.386  -1.327   5.197
  211    H    HIS  28           H        HIS  28  17.213  -3.071   4.938
  212    HA   HIS  28           HA       HIS  28  15.897  -3.983   7.292
  213   1HB   HIS  28          1HB       HIS  28  17.197  -5.396   5.618
  214   2HB   HIS  28          2HB       HIS  28  18.659  -4.790   6.389
  215    HD1  HIS  28           HD1      HIS  28  15.429  -6.392   7.682
  216    HD2  HIS  28           HD2      HIS  28  19.550  -6.548   8.183
  217    HE1  HIS  28           HE1      HIS  28  15.864  -8.166   9.430
  218    H    GLU  29           H        GLU  29  18.971  -2.318   6.694
  219    HA   GLU  29           HA       GLU  29  19.653  -2.201   9.479
  220   1HB   GLU  29          1HB       GLU  29  21.320  -2.217   7.597
  221   2HB   GLU  29          2HB       GLU  29  20.818  -0.576   7.214
  222   1HG   GLU  29          1HG       GLU  29  21.807  -1.312   9.943
  223   2HG   GLU  29          2HG       GLU  29  22.915  -0.900   8.636
  224    H    GLY  30           H        GLY  30  19.111   0.452   7.149
  225   1HA   GLY  30          1HA       GLY  30  17.967   2.012   9.379
  226   2HA   GLY  30          2HA       GLY  30  18.804   2.713   8.003
  227   1HN   NH2  31          1HN       NH2  31  15.872   2.379   9.323
  228   2HN   NH2  31          2HN       NH2  31  14.880   2.436   7.910
  229   1H    ACE   0          1H        ACE   0 -18.673  -3.833   6.715
  230   2H    ACE   0          2H        ACE   0 -17.403  -4.678   5.831
  231   3H    ACE   0          3H        ACE   0 -19.039  -5.336   5.868
  232    H    GLU   1           H        GLU   1 -19.893  -2.350   5.658
  233    HA   GLU   1           HA       GLU   1 -20.006  -2.355   2.752
  234   1HB   GLU   1          1HB       GLU   1 -21.339  -0.352   4.560
  235   2HB   GLU   1          2HB       GLU   1 -21.808  -0.840   2.937
  236   1HG   GLU   1          1HG       GLU   1 -21.926  -3.191   4.368
  237   2HG   GLU   1          2HG       GLU   1 -22.519  -1.982   5.505
  238    H    VAL   2           H        VAL   2 -20.418   0.444   2.421
  239    HA   VAL   2           HA       VAL   2 -18.131   1.412   1.495
  240    HB   VAL   2           HB       VAL   2 -18.996   3.757   2.434
  241   1HG1  VAL   2          1HG1      VAL   2 -19.103   2.454   0.075
  242   2HG1  VAL   2          2HG1      VAL   2 -20.824   2.622   0.427
  243   3HG1  VAL   2          3HG1      VAL   2 -19.795   4.052   0.351
  244   1HG2  VAL   2          1HG2      VAL   2 -20.710   2.180   3.779
  245   2HG2  VAL   2          2HG2      VAL   2 -21.103   3.819   3.256
  246   3HG2  VAL   2          3HG2      VAL   2 -21.633   2.435   2.298
  247    H    GLN   3           H        GLN   3 -19.001   3.017   4.497
  248    HA   GLN   3           HA       GLN   3 -16.476   3.805   5.186
  249   1HB   GLN   3          1HB       GLN   3 -17.292   4.205   7.417
  250   2HB   GLN   3          2HB       GLN   3 -18.560   4.603   6.267
  251   1HG   GLN   3          1HG       GLN   3 -19.843   2.769   6.846
  252   2HG   GLN   3          2HG       GLN   3 -18.473   1.905   7.542
  253   1HE2  GLN   3          2HE2      GLN   3 -21.171   2.715   8.585
  254   2HE2  GLN   3          1HE2      GLN   3 -20.834   3.510  10.082
  255    H    ALA   4           H        ALA   4 -17.902   0.677   5.567
  256    HA   ALA   4           HA       ALA   4 -16.044  -0.304   7.505
  257   1HB   ALA   4          1HB       ALA   4 -18.393  -1.241   6.279
  258   2HB   ALA   4          2HB       ALA   4 -17.129  -2.413   5.912
  259   3HB   ALA   4          3HB       ALA   4 -17.478  -1.992   7.588
  260    H    LEU   5           H        LEU   5 -16.012   0.059   4.061
  261    HA   LEU   5           HA       LEU   5 -13.513  -1.503   3.890
  262   1HB   LEU   5          1HB       LEU   5 -15.754  -1.003   2.003
  263   2HB   LEU   5          2HB       LEU   5 -14.151  -1.132   1.318
  264    HG   LEU   5           HG       LEU   5 -15.068  -3.281   3.170
  265   1HD1  LEU   5          1HD1      LEU   5 -16.207  -2.683   0.493
  266   2HD1  LEU   5          2HD1      LEU   5 -15.867  -4.366   0.896
  267   3HD1  LEU   5          3HD1      LEU   5 -16.959  -3.420   1.906
  268   1HD2  LEU   5          1HD2      LEU   5 -12.784  -2.891   1.799
  269   2HD2  LEU   5          2HD2      LEU   5 -13.410  -4.485   2.223
  270   3HD2  LEU   5          3HD2      LEU   5 -13.700  -3.822   0.615
  271    H    LYS   6           H        LYS   6 -15.161   1.373   2.735
  272    HA   LYS   6           HA       LYS   6 -13.260   2.753   1.389
  273   1HB   LYS   6          1HB       LYS   6 -15.445   3.646   1.570
  274   2HB   LYS   6          2HB       LYS   6 -15.380   3.647   3.325
  275   1HG   LYS   6          1HG       LYS   6 -14.572   5.717   3.363
  276   2HG   LYS   6          2HG       LYS   6 -13.295   5.308   2.216
  277   1HD   LYS   6          1HD       LYS   6 -14.449   6.883   1.011
  278   2HD   LYS   6          2HD       LYS   6 -15.270   5.413   0.482
  279   1HE   LYS   6          1HE       LYS   6 -16.204   7.268   2.669
  280   2HE   LYS   6          2HE       LYS   6 -16.862   7.190   1.036
  281   1HZ   LYS   6          1HZ       LYS   6 -17.327   4.768   1.561
  282   2HZ   LYS   6          2HZ       LYS   6 -17.040   5.162   3.181
  283   3HZ   LYS   6          3HZ       LYS   6 -18.299   5.915   2.338
  284    H    LYS   7           H        LYS   7 -13.431   2.245   4.856
  285    HA   LYS   7           HA       LYS   7 -11.242   4.093   5.361
  286   1HB   LYS   7          1HB       LYS   7 -13.260   2.697   6.986
  287   2HB   LYS   7          2HB       LYS   7 -11.681   2.839   7.744
  288   1HG   LYS   7          1HG       LYS   7 -12.193   4.901   8.350
  289   2HG   LYS   7          2HG       LYS   7 -12.255   5.361   6.647
  290   1HD   LYS   7          1HD       LYS   7 -14.654   3.972   7.577
  291   2HD   LYS   7          2HD       LYS   7 -14.348   5.494   8.415
  292   1HE   LYS   7          1HE       LYS   7 -13.877   6.169   5.812
  293   2HE   LYS   7          2HE       LYS   7 -15.178   4.994   5.654
  294   1HZ   LYS   7          1HZ       LYS   7 -16.124   6.471   7.635
  295   2HZ   LYS   7          2HZ       LYS   7 -15.212   7.651   6.834
  296   3HZ   LYS   7          3HZ       LYS   7 -16.430   6.817   6.007
  297    H    ARG   8           H        ARG   8 -11.815   0.644   5.136
  298    HA   ARG   8           HA       ARG   8  -9.327  -0.108   6.314
  299   1HB   ARG   8          1HB       ARG   8  -9.957  -2.293   5.956
  300   2HB   ARG   8          2HB       ARG   8 -11.518  -1.492   6.002
  301   1HG   ARG   8          1HG       ARG   8 -11.625  -1.514   3.574
  302   2HG   ARG   8          2HG       ARG   8 -10.029  -2.265   3.501
  303   1HD   ARG   8          1HD       ARG   8 -11.562  -3.841   5.251
  304   2HD   ARG   8          2HD       ARG   8 -12.603  -3.485   3.876
  305    HE   ARG   8           HE       ARG   8 -11.235  -4.762   2.532
  306   1HH1  ARG   8          1HH1      ARG   8  -9.713  -4.284   5.638
  307   2HH1  ARG   8          2HH1      ARG   8  -8.490  -5.477   5.360
  308   1HH2  ARG   8          1HH2      ARG   8  -9.627  -6.333   2.169
  309   2HH2  ARG   8          2HH2      ARG   8  -8.439  -6.637   3.392
  310    H    VAL   9           H        VAL   9 -10.178   1.119   3.258
  311    HA   VAL   9           HA       VAL   9  -8.099  -0.138   1.737
  312    HB   VAL   9           HB       VAL   9  -9.697   2.366   1.163
  313   1HG1  VAL   9          1HG1      VAL   9  -7.358   1.886  -0.005
  314   2HG1  VAL   9          2HG1      VAL   9  -8.359   0.831  -1.000
  315   3HG1  VAL   9          3HG1      VAL   9  -8.726   2.552  -0.891
  316   1HG2  VAL   9          1HG2      VAL   9 -10.721  -0.078   1.313
  317   2HG2  VAL   9          2HG2      VAL   9 -11.246   1.084   0.095
  318   3HG2  VAL   9          3HG2      VAL   9 -10.080  -0.170  -0.327
  319    H    GLN  10           H        GLN  10  -8.542   3.128   3.093
  320    HA   GLN  10           HA       GLN  10  -6.163   4.279   2.350
  321   1HB   GLN  10          1HB       GLN  10  -6.392   5.729   4.332
  322   2HB   GLN  10          2HB       GLN  10  -7.909   5.541   3.464
  323   1HG   GLN  10          1HG       GLN  10  -8.902   4.418   5.157
  324   2HG   GLN  10          2HG       GLN  10  -7.400   3.665   5.689
  325   1HE2  GLN  10          2HE2      GLN  10  -5.760   5.647   6.260
  326   2HE2  GLN  10          1HE2      GLN  10  -6.404   6.686   7.481
  327    H    ALA  11           H        ALA  11  -6.724   1.888   4.821
  328    HA   ALA  11           HA       ALA  11  -4.287   2.188   6.225
  329   1HB   ALA  11          1HB       ALA  11  -6.453   0.895   6.857
  330   2HB   ALA  11          2HB       ALA  11  -5.675  -0.448   6.019
  331   3HB   ALA  11          3HB       ALA  11  -4.886   0.301   7.407
  332    H    LEU  12           H        LEU  12  -5.035   0.785   3.173
  333    HA   LEU  12           HA       LEU  12  -2.621  -0.842   3.129
  334   1HB   LEU  12          1HB       LEU  12  -4.299  -0.428   0.703
  335   2HB   LEU  12          2HB       LEU  12  -3.440  -1.858   1.227
  336    HG   LEU  12           HG       LEU  12  -5.819  -0.939   2.792
  337   1HD1  LEU  12          1HD1      LEU  12  -6.327  -1.029   0.284
  338   2HD1  LEU  12          2HD1      LEU  12  -6.099  -2.770   0.437
  339   3HD1  LEU  12          3HD1      LEU  12  -7.356  -1.960   1.371
  340   1HD2  LEU  12          1HD2      LEU  12  -4.275  -2.797   3.519
  341   2HD2  LEU  12          2HD2      LEU  12  -5.983  -3.219   3.400
  342   3HD2  LEU  12          3HD2      LEU  12  -4.862  -3.712   2.130
  343    H    LYS  13           H        LYS  13  -3.989   1.969   1.469
  344    HA   LYS  13           HA       LYS  13  -1.602   2.412  -0.076
  345   1HB   LYS  13          1HB       LYS  13  -2.773   4.473  -0.826
  346   2HB   LYS  13          2HB       LYS  13  -3.695   2.999  -1.083
  347   1HG   LYS  13          1HG       LYS  13  -5.378   4.121  -0.143
  348   2HG   LYS  13          2HG       LYS  13  -4.562   3.776   1.382
  349   1HD   LYS  13          1HD       LYS  13  -4.260   5.949   1.723
  350   2HD   LYS  13          2HD       LYS  13  -3.332   6.053   0.226
  351   1HE   LYS  13          1HE       LYS  13  -5.769   6.046  -0.831
  352   2HE   LYS  13          2HE       LYS  13  -6.183   6.702   0.752
  353   1HZ   LYS  13          1HZ       LYS  13  -4.055   8.184   0.119
  354   2HZ   LYS  13          2HZ       LYS  13  -4.698   7.913  -1.423
  355   3HZ   LYS  13          3HZ       LYS  13  -5.648   8.637  -0.223
  356    H    ALA  14           H        ALA  14  -2.833   3.466   2.989
  357    HA   ALA  14           HA       ALA  14  -1.544   5.898   3.332
  358   1HB   ALA  14          1HB       ALA  14  -2.401   3.743   5.205
  359   2HB   ALA  14          2HB       ALA  14  -1.410   5.068   5.817
  360   3HB   ALA  14          3HB       ALA  14  -2.968   5.407   5.064
  361    H    ARG  15           H        ARG  15  -0.323   2.658   4.171
  362    HA   ARG  15           HA       ARG  15   2.321   3.700   4.701
  363   1HB   ARG  15          1HB       ARG  15   1.111   1.693   5.849
  364   2HB   ARG  15          2HB       ARG  15   1.675   0.780   4.458
  365   1HG   ARG  15          1HG       ARG  15   3.261   0.475   6.189
  366   2HG   ARG  15          2HG       ARG  15   3.993   1.555   5.001
  367   1HD   ARG  15          1HD       ARG  15   4.400   2.306   7.302
  368   2HD   ARG  15          2HD       ARG  15   3.458   3.477   6.380
  369    HE   ARG  15           HE       ARG  15   1.705   1.776   7.763
  370   1HH1  ARG  15          1HH1      ARG  15   4.017   4.315   8.386
  371   2HH1  ARG  15          2HH1      ARG  15   3.222   4.857   9.825
  372   1HH2  ARG  15          1HH2      ARG  15   0.659   2.487   9.657
  373   2HH2  ARG  15          2HH2      ARG  15   1.316   3.820  10.547
  374    H    ASN  16           H        ASN  16   0.726   1.745   2.227
  375    HA   ASN  16           HA       ASN  16   2.929   1.002   0.712
  376   1HB   ASN  16          1HB       ASN  16   0.654   0.152   0.328
  377   2HB   ASN  16          2HB       ASN  16   0.166   1.727  -0.279
  378   1HD2  ASN  16          2HD2      ASN  16  -0.332   1.150  -2.326
  379   2HD2  ASN  16          1HD2      ASN  16   0.815   0.543  -3.466
  380    H    TYR  17           H        TYR  17   0.916   3.924   0.406
  381    HA   TYR  17           HA       TYR  17   2.141   5.089  -1.773
  382   1HB   TYR  17          1HB       TYR  17   0.159   6.086  -0.879
  383   2HB   TYR  17          2HB       TYR  17   0.924   6.361   0.682
  384    HD1  TYR  17           HD1      TYR  17   2.018   7.122  -2.810
  385    HD2  TYR  17           HD2      TYR  17   1.060   8.642   1.046
  386    HE1  TYR  17           HE1      TYR  17   2.688   9.373  -3.539
  387    HE2  TYR  17           HE2      TYR  17   1.728  10.898   0.329
  388    HH   TYR  17           HH       TYR  17   3.180  11.933  -1.382
  389    H    ALA  18           H        ALA  18   3.236   4.908   1.542
  390    HA   ALA  18           HA       ALA  18   5.358   6.812   1.227
  391   1HB   ALA  18          1HB       ALA  18   4.220   6.210   3.404
  392   2HB   ALA  18          2HB       ALA  18   5.157   4.716   3.374
  393   3HB   ALA  18          3HB       ALA  18   5.982   6.272   3.442
  394    H    LEU  19           H        LEU  19   5.150   3.264   1.287
  395    HA   LEU  19           HA       LEU  19   7.913   2.793   1.030
  396   1HB   LEU  19          1HB       LEU  19   6.028   0.899  -0.266
  397   2HB   LEU  19          2HB       LEU  19   7.411   0.577   0.753
  398    HG   LEU  19           HG       LEU  19   4.652   1.396   1.633
  399   1HD1  LEU  19          1HD1      LEU  19   6.176  -1.104   1.521
  400   2HD1  LEU  19          2HD1      LEU  19   5.367  -0.798   3.057
  401   3HD1  LEU  19          3HD1      LEU  19   4.435  -0.832   1.561
  402   1HD2  LEU  19          1HD2      LEU  19   7.125   2.022   2.881
  403   2HD2  LEU  19          2HD2      LEU  19   5.490   2.283   3.487
  404   3HD2  LEU  19          3HD2      LEU  19   6.330   0.772   3.839
  405    H    LYS  20           H        LYS  20   5.358   2.706  -1.460
  406    HA   LYS  20           HA       LYS  20   6.780   2.248  -3.716
  407   1HB   LYS  20          1HB       LYS  20   4.248   3.127  -3.184
  408   2HB   LYS  20          2HB       LYS  20   4.929   4.510  -4.028
  409   1HG   LYS  20          1HG       LYS  20   4.995   3.441  -6.006
  410   2HG   LYS  20          2HG       LYS  20   5.435   1.895  -5.277
  411   1HD   LYS  20          1HD       LYS  20   3.298   1.216  -5.154
  412   2HD   LYS  20          2HD       LYS  20   2.730   2.796  -4.612
  413   1HE   LYS  20          1HE       LYS  20   3.589   2.468  -7.446
  414   2HE   LYS  20          2HE       LYS  20   2.025   1.823  -6.953
  415   1HZ   LYS  20          1HZ       LYS  20   2.708   4.578  -6.216
  416   2HZ   LYS  20          2HZ       LYS  20   2.247   4.258  -7.812
  417   3HZ   LYS  20          3HZ       LYS  20   1.196   3.895  -6.539
  418    H    GLN  21           H        GLN  21   6.883   5.157  -1.798
  419    HA   GLN  21           HA       GLN  21   8.311   6.660  -3.809
  420   1HB   GLN  21          1HB       GLN  21   6.779   7.863  -2.396
  421   2HB   GLN  21          2HB       GLN  21   7.580   7.277  -0.946
  422   1HG   GLN  21          1HG       GLN  21   9.404   8.678  -1.235
  423   2HG   GLN  21          2HG       GLN  21   9.079   8.908  -2.953
  424   1HE2  GLN  21          2HE2      GLN  21   8.581  10.078   0.197
  425   2HE2  GLN  21          1HE2      GLN  21   7.530  11.391  -0.200
  426    H    LYS  22           H        LYS  22   9.064   5.073  -0.726
  427    HA   LYS  22           HA       LYS  22  11.863   5.833  -0.947
  428   1HB   LYS  22          1HB       LYS  22  12.101   4.693   1.237
  429   2HB   LYS  22          2HB       LYS  22  10.871   5.951   1.247
  430   1HG   LYS  22          1HG       LYS  22   9.367   4.503   1.969
  431   2HG   LYS  22          2HG       LYS  22   9.628   3.496   0.545
  432   1HD   LYS  22          1HD       LYS  22  10.073   2.082   2.363
  433   2HD   LYS  22          2HD       LYS  22  11.663   2.576   1.780
  434   1HE   LYS  22          1HE       LYS  22  11.636   2.693   4.183
  435   2HE   LYS  22          2HE       LYS  22  11.712   4.329   3.527
  436   1HZ   LYS  22          1HZ       LYS  22   9.041   3.325   4.014
  437   2HZ   LYS  22          2HZ       LYS  22   9.979   3.541   5.405
  438   3HZ   LYS  22          3HZ       LYS  22   9.709   4.842   4.357
  439    H    VAL  23           H        VAL  23   9.871   2.975  -1.347
  440    HA   VAL  23           HA       VAL  23  11.515   0.862  -1.190
  441    HB   VAL  23           HB       VAL  23   9.610   1.404  -3.470
  442   1HG1  VAL  23          1HG1      VAL  23  11.191  -1.020  -2.728
  443   2HG1  VAL  23          2HG1      VAL  23   9.586  -1.209  -3.435
  444   3HG1  VAL  23          3HG1      VAL  23  10.845  -0.349  -4.322
  445   1HG2  VAL  23          1HG2      VAL  23   9.065   1.108  -0.804
  446   2HG2  VAL  23          2HG2      VAL  23   7.940   0.773  -2.118
  447   3HG2  VAL  23          3HG2      VAL  23   8.884  -0.538  -1.410
  448    H    GLN  24           H        GLN  24  11.274   2.801  -4.184
  449    HA   GLN  24           HA       GLN  24  13.405   1.538  -5.501
  450   1HB   GLN  24          1HB       GLN  24  13.416   3.562  -6.962
  451   2HB   GLN  24          2HB       GLN  24  11.832   2.823  -6.770
  452   1HG   GLN  24          1HG       GLN  24  11.806   4.643  -4.761
  453   2HG   GLN  24          2HG       GLN  24  12.794   5.469  -5.965
  454   1HE2  GLN  24          2HE2      GLN  24  11.755   6.601  -7.439
  455   2HE2  GLN  24          1HE2      GLN  24  10.096   6.414  -7.884
  456    H    ALA  25           H        ALA  25  13.301   4.248  -3.281
  457    HA   ALA  25           HA       ALA  25  15.927   5.190  -3.697
  458   1HB   ALA  25          1HB       ALA  25  13.817   6.098  -2.294
  459   2HB   ALA  25          2HB       ALA  25  14.805   5.453  -0.984
  460   3HB   ALA  25          3HB       ALA  25  15.467   6.679  -2.064
  461    H    LEU  26           H        LEU  26  14.580   2.827  -1.427
  462    HA   LEU  26           HA       LEU  26  16.907   2.350   0.057
  463   1HB   LEU  26          1HB       LEU  26  14.747   0.344  -0.590
  464   2HB   LEU  26          2HB       LEU  26  15.852   0.295   0.771
  465    HG   LEU  26           HG       LEU  26  13.676   2.340   0.334
  466   1HD1  LEU  26          1HD1      LEU  26  13.902  -0.128   2.000
  467   2HD1  LEU  26          2HD1      LEU  26  12.921   1.228   2.556
  468   3HD1  LEU  26          3HD1      LEU  26  12.554   0.446   1.019
  469   1HD2  LEU  26          1HD2      LEU  26  15.886   2.109   2.327
  470   2HD2  LEU  26          2HD2      LEU  26  15.258   3.537   1.505
  471   3HD2  LEU  26          3HD2      LEU  26  14.338   2.799   2.817
  472    H    ARG  27           H        ARG  27  15.553   0.329  -2.560
  473    HA   ARG  27           HA       ARG  27  17.708  -1.395  -2.827
  474   1HB   ARG  27          1HB       ARG  27  16.872  -1.739  -5.180
  475   2HB   ARG  27          2HB       ARG  27  15.670  -1.950  -3.916
  476   1HG   ARG  27          1HG       ARG  27  15.240   0.622  -4.462
  477   2HG   ARG  27          2HG       ARG  27  15.871   0.107  -6.026
  478   1HD   ARG  27          1HD       ARG  27  14.127  -1.904  -5.439
  479   2HD   ARG  27          2HD       ARG  27  13.320  -0.511  -4.720
  480    HE   ARG  27           HE       ARG  27  14.164   0.175  -7.303
  481   1HH1  ARG  27          1HH1      ARG  27  11.849  -1.912  -5.731
  482   2HH1  ARG  27          2HH1      ARG  27  10.727  -1.866  -7.048
  483   1HH2  ARG  27          1HH2      ARG  27  12.690   0.237  -9.034
  484   2HH2  ARG  27          2HH2      ARG  27  11.203  -0.645  -8.925
  485    H    HIS  28           H        HIS  28  17.344   1.876  -3.939
  486    HA   HIS  28           HA       HIS  28  19.340   1.874  -5.935
  487   1HB   HIS  28          1HB       HIS  28  17.544   3.731  -4.895
  488   2HB   HIS  28          2HB       HIS  28  19.125   4.404  -4.515
  489    HD1  HIS  28           HD1      HIS  28  18.537   2.441  -7.676
  490    HD2  HIS  28           HD2      HIS  28  18.973   6.379  -6.428
  491    HE1  HIS  28           HE1      HIS  28  18.794   3.826  -9.776
  492    H    LYS  29           H        LYS  29  19.450   2.238  -2.453
  493    HA   LYS  29           HA       LYS  29  22.277   2.922  -2.494
  494   1HB   LYS  29          1HB       LYS  29  20.325   3.697  -0.825
  495   2HB   LYS  29          2HB       LYS  29  20.899   2.290   0.059
  496   1HG   LYS  29          1HG       LYS  29  23.226   3.597  -0.605
  497   2HG   LYS  29          2HG       LYS  29  22.104   4.915  -0.262
  498   1HD   LYS  29          1HD       LYS  29  21.630   3.088   1.767
  499   2HD   LYS  29          2HD       LYS  29  23.380   3.036   1.551
  500   1HE   LYS  29          1HE       LYS  29  23.554   5.402   1.891
  501   2HE   LYS  29          2HE       LYS  29  21.800   5.580   1.886
  502   1HZ   LYS  29          1HZ       LYS  29  21.805   4.089   3.890
  503   2HZ   LYS  29          2HZ       LYS  29  23.485   4.282   3.948
  504   3HZ   LYS  29          3HZ       LYS  29  22.474   5.626   4.125
  505    H    GLY  30           H        GLY  30  22.089   0.554  -3.682
  506   1HA   GLY  30          1HA       GLY  30  23.515  -1.174  -1.858
  507   2HA   GLY  30          2HA       GLY  30  21.963  -1.813  -2.377
  508   1HN   NH2  31          1HN       NH2  31  21.873  -2.888  -4.239
  509   2HN   NH2  31          2HN       NH2  31  23.126  -2.944  -5.427
  Start of MODEL   23
    1   1H    ACE   0          1H        ACE   0 -19.439   8.033  -3.963
    2   2H    ACE   0          2H        ACE   0 -18.966   8.773  -5.493
    3   3H    ACE   0          3H        ACE   0 -17.738   8.088  -4.429
    4    H    GLU   1           H        GLU   1 -16.955   6.634  -5.972
    5    HA   GLU   1           HA       GLU   1 -18.781   4.715  -7.169
    6   1HB   GLU   1          1HB       GLU   1 -15.775   4.761  -7.416
    7   2HB   GLU   1          2HB       GLU   1 -16.934   3.998  -8.495
    8   1HG   GLU   1          1HG       GLU   1 -16.643   5.821  -9.745
    9   2HG   GLU   1          2HG       GLU   1 -17.748   6.581  -8.601
   10    H    VAL   2           H        VAL   2 -19.403   3.041  -5.981
   11    HA   VAL   2           HA       VAL   2 -18.172   2.122  -3.650
   12    HB   VAL   2           HB       VAL   2 -19.906   0.453  -5.472
   13   1HG1  VAL   2          1HG1      VAL   2 -18.913   0.201  -2.706
   14   2HG1  VAL   2          2HG1      VAL   2 -20.610  -0.207  -2.961
   15   3HG1  VAL   2          3HG1      VAL   2 -19.355  -1.045  -3.874
   16   1HG2  VAL   2          1HG2      VAL   2 -20.567   2.734  -3.679
   17   2HG2  VAL   2          2HG2      VAL   2 -21.285   2.261  -5.218
   18   3HG2  VAL   2          3HG2      VAL   2 -21.685   1.371  -3.749
   19    H    ALA   3           H        ALA   3 -18.006   0.848  -6.962
   20    HA   ALA   3           HA       ALA   3 -16.434  -1.390  -6.482
   21   1HB   ALA   3          1HB       ALA   3 -17.550  -0.295  -8.684
   22   2HB   ALA   3          2HB       ALA   3 -15.845   0.051  -8.978
   23   3HB   ALA   3          3HB       ALA   3 -16.377  -1.611  -8.720
   24    H    GLN   4           H        GLN   4 -15.565   1.955  -6.444
   25    HA   GLN   4           HA       GLN   4 -12.723   1.430  -6.708
   26   1HB   GLN   4          1HB       GLN   4 -14.352   3.926  -6.296
   27   2HB   GLN   4          2HB       GLN   4 -12.598   3.938  -6.183
   28   1HG   GLN   4          1HG       GLN   4 -13.794   2.721  -8.600
   29   2HG   GLN   4          2HG       GLN   4 -13.897   4.473  -8.434
   30   1HE2  GLN   4          2HE2      GLN   4 -11.889   1.793  -9.120
   31   2HE2  GLN   4          1HE2      GLN   4 -10.432   2.671  -9.423
   32    H    LEU   5           H        LEU   5 -14.724   0.769  -4.304
   33    HA   LEU   5           HA       LEU   5 -12.854   1.654  -2.206
   34   1HB   LEU   5          1HB       LEU   5 -15.718   0.875  -1.728
   35   2HB   LEU   5          2HB       LEU   5 -14.636   1.742  -0.655
   36    HG   LEU   5           HG       LEU   5 -15.798   2.823  -3.224
   37   1HD1  LEU   5          1HD1      LEU   5 -16.608   2.976  -0.376
   38   2HD1  LEU   5          2HD1      LEU   5 -16.763   4.436  -1.353
   39   3HD1  LEU   5          3HD1      LEU   5 -17.594   2.958  -1.839
   40   1HD2  LEU   5          1HD2      LEU   5 -13.775   3.855  -1.295
   41   2HD2  LEU   5          2HD2      LEU   5 -13.824   3.979  -3.053
   42   3HD2  LEU   5          3HD2      LEU   5 -14.881   4.989  -2.068
   43    H    GLU   6           H        GLU   6 -14.869  -0.988  -3.393
   44    HA   GLU   6           HA       GLU   6 -13.971  -2.848  -1.399
   45   1HB   GLU   6          1HB       GLU   6 -15.254  -3.572  -4.025
   46   2HB   GLU   6          2HB       GLU   6 -15.301  -4.463  -2.511
   47   1HG   GLU   6          1HG       GLU   6 -16.720  -2.779  -1.520
   48   2HG   GLU   6          2HG       GLU   6 -16.608  -1.791  -2.975
   49    H    LYS   7           H        LYS   7 -13.537  -2.740  -4.940
   50    HA   LYS   7           HA       LYS   7 -11.523  -4.687  -5.042
   51   1HB   LYS   7          1HB       LYS   7 -11.891  -2.385  -6.962
   52   2HB   LYS   7          2HB       LYS   7 -11.097  -3.918  -7.293
   53   1HG   LYS   7          1HG       LYS   7 -13.272  -5.058  -6.918
   54   2HG   LYS   7          2HG       LYS   7 -14.025  -3.469  -6.766
   55   1HD   LYS   7          1HD       LYS   7 -12.440  -4.325  -9.178
   56   2HD   LYS   7          2HD       LYS   7 -14.187  -4.539  -9.043
   57   1HE   LYS   7          1HE       LYS   7 -14.613  -2.334  -9.312
   58   2HE   LYS   7          2HE       LYS   7 -13.161  -1.839  -8.442
   59   1HZ   LYS   7          1HZ       LYS   7 -13.233  -2.879 -11.224
   60   2HZ   LYS   7          2HZ       LYS   7 -13.044  -1.257 -10.786
   61   3HZ   LYS   7          3HZ       LYS   7 -11.847  -2.383 -10.391
   62    H    GLU   8           H        GLU   8 -11.415  -1.273  -4.359
   63    HA   GLU   8           HA       GLU   8  -8.738  -0.721  -4.834
   64   1HB   GLU   8          1HB       GLU   8 -10.637   0.848  -4.115
   65   2HB   GLU   8          2HB       GLU   8 -10.210   0.400  -2.469
   66   1HG   GLU   8          1HG       GLU   8  -8.344   1.643  -2.481
   67   2HG   GLU   8          2HG       GLU   8  -7.958   1.237  -4.150
   68    H    VAL   9           H        VAL   9 -10.226  -2.559  -2.292
   69    HA   VAL   9           HA       VAL   9  -8.025  -2.496  -0.482
   70    HB   VAL   9           HB       VAL   9 -10.325  -4.441  -0.714
   71   1HG1  VAL   9          1HG1      VAL   9  -8.059  -4.274   1.232
   72   2HG1  VAL   9          2HG1      VAL   9  -9.633  -4.876   1.751
   73   3HG1  VAL   9          3HG1      VAL   9  -8.762  -5.692   0.452
   74   1HG2  VAL   9          1HG2      VAL   9  -9.829  -2.112   1.135
   75   2HG2  VAL   9          2HG2      VAL   9 -11.024  -2.189  -0.159
   76   3HG2  VAL   9          3HG2      VAL   9 -11.185  -3.234   1.252
   77    H    ALA  10           H        ALA  10  -9.244  -5.047  -2.665
   78    HA   ALA  10           HA       ALA  10  -7.120  -6.827  -2.319
   79   1HB   ALA  10          1HB       ALA  10  -9.453  -6.828  -3.762
   80   2HB   ALA  10          2HB       ALA  10  -8.222  -6.813  -5.024
   81   3HB   ALA  10          3HB       ALA  10  -8.221  -8.089  -3.806
   82    H    GLN  11           H        GLN  11  -7.392  -3.918  -4.185
   83    HA   GLN  11           HA       GLN  11  -5.214  -4.360  -5.948
   84   1HB   GLN  11          1HB       GLN  11  -6.930  -2.690  -6.420
   85   2HB   GLN  11          2HB       GLN  11  -6.476  -1.785  -4.984
   86   1HG   GLN  11          1HG       GLN  11  -5.238  -0.576  -6.389
   87   2HG   GLN  11          2HG       GLN  11  -4.105  -1.923  -6.304
   88   1HE2  GLN  11          2HE2      GLN  11  -6.766  -0.556  -8.147
   89   2HE2  GLN  11          1HE2      GLN  11  -6.345  -1.288  -9.654
   90    H    LEU  12           H        LEU  12  -5.503  -2.526  -2.899
   91    HA   LEU  12           HA       LEU  12  -2.676  -1.995  -2.814
   92   1HB   LEU  12          1HB       LEU  12  -4.688  -1.673  -0.590
   93   2HB   LEU  12          2HB       LEU  12  -3.108  -0.922  -0.704
   94    HG   LEU  12           HG       LEU  12  -5.312  -0.369  -2.681
   95   1HD1  LEU  12          1HD1      LEU  12  -4.600   1.154  -0.179
   96   2HD1  LEU  12          2HD1      LEU  12  -5.729   1.689  -1.424
   97   3HD1  LEU  12          3HD1      LEU  12  -6.089   0.254  -0.465
   98   1HD2  LEU  12          1HD2      LEU  12  -2.584   0.696  -2.147
   99   2HD2  LEU  12          2HD2      LEU  12  -3.393   0.378  -3.681
  100   3HD2  LEU  12          3HD2      LEU  12  -3.824   1.803  -2.736
  101    H    GLU  13           H        GLU  13  -4.886  -4.308  -1.362
  102    HA   GLU  13           HA       GLU  13  -3.187  -5.324   0.619
  103   1HB   GLU  13          1HB       GLU  13  -5.591  -6.305  -0.822
  104   2HB   GLU  13          2HB       GLU  13  -4.609  -7.517  -0.009
  105   1HG   GLU  13          1HG       GLU  13  -4.834  -6.285   2.091
  106   2HG   GLU  13          2HG       GLU  13  -5.831  -5.082   1.273
  107    H    ALA  14           H        ALA  14  -3.260  -5.791  -2.819
  108    HA   ALA  14           HA       ALA  14  -1.432  -8.054  -2.715
  109   1HB   ALA  14          1HB       ALA  14  -2.997  -6.700  -4.858
  110   2HB   ALA  14          2HB       ALA  14  -1.573  -7.638  -5.306
  111   3HB   ALA  14          3HB       ALA  14  -2.901  -8.411  -4.440
  112    H    GLU  15           H        GLU  15  -1.451  -4.635  -3.538
  113    HA   GLU  15           HA       GLU  15   1.286  -4.661  -4.462
  114   1HB   GLU  15          1HB       GLU  15  -0.651  -3.093  -5.214
  115   2HB   GLU  15          2HB       GLU  15  -0.247  -2.174  -3.771
  116   1HG   GLU  15          1HG       GLU  15   0.952  -1.131  -5.464
  117   2HG   GLU  15          2HG       GLU  15   2.143  -2.158  -4.667
  118    H    ASN  16           H        ASN  16  -0.429  -3.079  -1.758
  119    HA   ASN  16           HA       ASN  16   1.742  -2.068  -0.395
  120   1HB   ASN  16          1HB       ASN  16  -0.609  -1.612   0.201
  121   2HB   ASN  16          2HB       ASN  16  -0.771  -3.254   0.807
  122   1HD2  ASN  16          2HD2      ASN  16  -1.401  -2.208   2.789
  123   2HD2  ASN  16          1HD2      ASN  16  -0.185  -1.651   3.883
  124    H    TYR  17           H        TYR  17   0.492  -5.348  -0.426
  125    HA   TYR  17           HA       TYR  17   2.146  -6.285   1.711
  126   1HB   TYR  17          1HB       TYR  17   0.068  -7.426   1.231
  127   2HB   TYR  17          2HB       TYR  17   0.581  -7.753  -0.420
  128    HD1  TYR  17           HD1      TYR  17   2.076  -8.262   2.976
  129    HD2  TYR  17           HD2      TYR  17   1.057  -9.971  -0.784
  130    HE1  TYR  17           HE1      TYR  17   3.025 -10.410   3.703
  131    HE2  TYR  17           HE2      TYR  17   2.003 -12.126  -0.068
  132    HH   TYR  17           HH       TYR  17   2.469 -13.304   2.094
  133    H    GLN  18           H        GLN  18   2.306  -6.455  -1.827
  134    HA   GLN  18           HA       GLN  18   4.557  -8.083  -2.052
  135   1HB   GLN  18          1HB       GLN  18   2.888  -6.734  -3.803
  136   2HB   GLN  18          2HB       GLN  18   4.455  -5.984  -4.077
  137   1HG   GLN  18          1HG       GLN  18   5.229  -7.762  -5.161
  138   2HG   GLN  18          2HG       GLN  18   4.626  -8.876  -3.935
  139   1HE2  GLN  18          2HE2      GLN  18   3.418 -10.358  -4.862
  140   2HE2  GLN  18          1HE2      GLN  18   2.230 -10.088  -6.086
  141    H    LEU  19           H        LEU  19   4.322  -4.565  -1.711
  142    HA   LEU  19           HA       LEU  19   7.144  -4.151  -1.921
  143   1HB   LEU  19          1HB       LEU  19   5.113  -2.280  -0.726
  144   2HB   LEU  19          2HB       LEU  19   6.686  -1.864  -1.375
  145    HG   LEU  19           HG       LEU  19   4.576  -3.072  -3.135
  146   1HD1  LEU  19          1HD1      LEU  19   3.852  -0.939  -1.822
  147   2HD1  LEU  19          2HD1      LEU  19   4.932  -0.117  -2.948
  148   3HD1  LEU  19          3HD1      LEU  19   3.566  -1.050  -3.558
  149   1HD2  LEU  19          1HD2      LEU  19   7.136  -1.578  -3.489
  150   2HD2  LEU  19          2HD2      LEU  19   6.571  -3.048  -4.285
  151   3HD2  LEU  19          3HD2      LEU  19   5.891  -1.484  -4.735
  152    H    GLU  20           H        GLU  20   4.835  -4.077   0.793
  153    HA   GLU  20           HA       GLU  20   6.489  -3.432   2.869
  154   1HB   GLU  20          1HB       GLU  20   3.994  -3.958   2.922
  155   2HB   GLU  20          2HB       GLU  20   4.457  -5.645   3.094
  156   1HG   GLU  20          1HG       GLU  20   5.919  -4.140   5.000
  157   2HG   GLU  20          2HG       GLU  20   4.228  -3.648   5.093
  158    H    GLN  21           H        GLN  21   6.407  -6.417   1.083
  159    HA   GLN  21           HA       GLN  21   8.063  -7.838   2.980
  160   1HB   GLN  21          1HB       GLN  21   6.288  -8.619   1.029
  161   2HB   GLN  21          2HB       GLN  21   7.842  -8.968   0.288
  162   1HG   GLN  21          1HG       GLN  21   7.999 -10.826   1.468
  163   2HG   GLN  21          2HG       GLN  21   7.935  -9.893   2.962
  164   1HE2  GLN  21          2HE2      GLN  21   6.443 -12.242   1.145
  165   2HE2  GLN  21          1HE2      GLN  21   4.906 -12.260   1.932
  166    H    GLU  22           H        GLU  22   8.448  -6.136  -0.071
  167    HA   GLU  22           HA       GLU  22  11.199  -6.956  -0.382
  168   1HB   GLU  22          1HB       GLU  22   9.226  -5.894  -2.067
  169   2HB   GLU  22          2HB       GLU  22  10.460  -4.647  -1.963
  170   1HG   GLU  22          1HG       GLU  22  12.135  -6.485  -2.499
  171   2HG   GLU  22          2HG       GLU  22  10.737  -7.468  -2.939
  172    H    VAL  23           H        VAL  23   9.449  -4.091   0.678
  173    HA   VAL  23           HA       VAL  23  11.637  -2.344   0.907
  174    HB   VAL  23           HB       VAL  23   9.198  -2.309   2.683
  175   1HG1  VAL  23          1HG1      VAL  23  11.403  -0.723   2.745
  176   2HG1  VAL  23          2HG1      VAL  23  10.353   0.187   1.660
  177   3HG1  VAL  23          3HG1      VAL  23   9.798  -0.229   3.281
  178   1HG2  VAL  23          1HG2      VAL  23   9.196  -2.261  -0.113
  179   2HG2  VAL  23          2HG2      VAL  23   7.878  -1.803   0.966
  180   3HG2  VAL  23          3HG2      VAL  23   9.008  -0.580   0.384
  181    H    ALA  24           H        ALA  24  10.290  -4.737   3.105
  182    HA   ALA  24           HA       ALA  24  11.668  -4.035   5.434
  183   1HB   ALA  24          1HB       ALA  24   9.781  -5.745   5.102
  184   2HB   ALA  24          2HB       ALA  24  11.071  -6.883   4.711
  185   3HB   ALA  24          3HB       ALA  24  11.030  -6.108   6.294
  186    H    GLN  25           H        GLN  25  12.749  -5.620   2.545
  187    HA   GLN  25           HA       GLN  25  15.275  -6.376   3.828
  188   1HB   GLN  25          1HB       GLN  25  14.183  -7.098   1.102
  189   2HB   GLN  25          2HB       GLN  25  15.707  -7.668   1.771
  190   1HG   GLN  25          1HG       GLN  25  13.835  -8.314   3.706
  191   2HG   GLN  25          2HG       GLN  25  13.017  -8.647   2.181
  192   1HE2  GLN  25          2HE2      GLN  25  15.747  -9.431   4.202
  193   2HE2  GLN  25          1HE2      GLN  25  16.149 -10.921   3.425
  194    H    LEU  26           H        LEU  26  13.889  -4.246   1.434
  195    HA   LEU  26           HA       LEU  26  16.261  -3.474   0.131
  196   1HB   LEU  26          1HB       LEU  26  13.590  -2.157   0.508
  197   2HB   LEU  26          2HB       LEU  26  14.893  -1.331  -0.324
  198    HG   LEU  26           HG       LEU  26  13.551  -3.899  -1.157
  199   1HD1  LEU  26          1HD1      LEU  26  13.397  -1.065  -1.988
  200   2HD1  LEU  26          2HD1      LEU  26  13.371  -2.280  -3.267
  201   3HD1  LEU  26          3HD1      LEU  26  12.157  -2.320  -1.987
  202   1HD2  LEU  26          1HD2      LEU  26  16.098  -2.626  -2.043
  203   2HD2  LEU  26          2HD2      LEU  26  15.708  -4.332  -1.825
  204   3HD2  LEU  26          3HD2      LEU  26  15.088  -3.458  -3.225
  205    H    GLU  27           H        GLU  27  14.545  -2.050   2.901
  206    HA   GLU  27           HA       GLU  27  16.709  -0.147   3.315
  207   1HB   GLU  27          1HB       GLU  27  15.242   0.618   5.233
  208   2HB   GLU  27          2HB       GLU  27  14.554   0.791   3.625
  209   1HG   GLU  27          1HG       GLU  27  12.884  -0.628   4.052
  210   2HG   GLU  27          2HG       GLU  27  13.927  -1.751   4.922
  211    H    HIS  28           H        HIS  28  17.819  -2.530   3.605
  212    HA   HIS  28           HA       HIS  28  17.720  -3.346   6.397
  213   1HB   HIS  28          1HB       HIS  28  18.000  -4.840   4.210
  214   2HB   HIS  28          2HB       HIS  28  19.703  -4.505   4.500
  215    HD1  HIS  28           HD1      HIS  28  17.000  -6.725   5.543
  216    HD2  HIS  28           HD2      HIS  28  20.578  -5.349   7.144
  217    HE1  HIS  28           HE1      HIS  28  17.581  -8.297   7.438
  218    H    GLU  29           H        GLU  29  20.161  -2.176   4.083
  219    HA   GLU  29           HA       GLU  29  22.018  -1.655   6.262
  220   1HB   GLU  29          1HB       GLU  29  22.207  -1.660   3.276
  221   2HB   GLU  29          2HB       GLU  29  23.411  -0.787   4.215
  222   1HG   GLU  29          1HG       GLU  29  22.809  -3.591   4.978
  223   2HG   GLU  29          2HG       GLU  29  23.743  -3.305   3.510
  224    H    GLY  30           H        GLY  30  19.444  -0.065   5.645
  225   1HA   GLY  30          1HA       GLY  30  20.576   2.579   5.136
  226   2HA   GLY  30          2HA       GLY  30  18.867   2.184   5.234
  227   1HN   NH2  31          1HN       NH2  31  19.658   4.386   6.502
  228   2HN   NH2  31          2HN       NH2  31  19.684   4.156   8.213
  229   1H    ACE   0          1H        ACE   0 -17.416  -4.271   3.801
  230   2H    ACE   0          2H        ACE   0 -18.531  -5.475   3.153
  231   3H    ACE   0          3H        ACE   0 -19.071  -4.356   4.406
  232    H    GLU   1           H        GLU   1 -19.857  -2.387   3.823
  233    HA   GLU   1           HA       GLU   1 -20.247  -1.914   0.985
  234   1HB   GLU   1          1HB       GLU   1 -21.303  -0.194   3.217
  235   2HB   GLU   1          2HB       GLU   1 -21.951  -0.396   1.595
  236   1HG   GLU   1          1HG       GLU   1 -22.352  -2.837   2.275
  237   2HG   GLU   1          2HG       GLU   1 -22.110  -2.266   3.925
  238    H    VAL   2           H        VAL   2 -20.530   0.860   0.985
  239    HA   VAL   2           HA       VAL   2 -18.100   1.786   0.213
  240    HB   VAL   2           HB       VAL   2 -20.285   3.415   1.502
  241   1HG1  VAL   2          1HG1      VAL   2 -17.692   4.217   0.741
  242   2HG1  VAL   2          2HG1      VAL   2 -18.799   4.837  -0.484
  243   3HG1  VAL   2          3HG1      VAL   2 -19.050   5.237   1.213
  244   1HG2  VAL   2          1HG2      VAL   2 -19.903   2.234  -1.174
  245   2HG2  VAL   2          2HG2      VAL   2 -21.386   2.615  -0.299
  246   3HG2  VAL   2          3HG2      VAL   2 -20.500   3.893  -1.130
  247    H    GLN   3           H        GLN   3 -19.304   3.398   3.081
  248    HA   GLN   3           HA       GLN   3 -16.808   4.006   4.116
  249   1HB   GLN   3          1HB       GLN   3 -19.324   4.735   4.736
  250   2HB   GLN   3          2HB       GLN   3 -19.002   3.636   6.071
  251   1HG   GLN   3          1HG       GLN   3 -17.331   4.960   6.938
  252   2HG   GLN   3          2HG       GLN   3 -17.017   5.756   5.396
  253   1HE2  GLN   3          2HE2      GLN   3 -17.279   7.838   5.949
  254   2HE2  GLN   3          1HE2      GLN   3 -18.742   8.512   6.574
  255    H    ALA   4           H        ALA   4 -18.674   1.091   4.422
  256    HA   ALA   4           HA       ALA   4 -17.404   0.057   6.735
  257   1HB   ALA   4          1HB       ALA   4 -19.471  -0.746   5.029
  258   2HB   ALA   4          2HB       ALA   4 -18.270  -2.037   4.970
  259   3HB   ALA   4          3HB       ALA   4 -18.941  -1.527   6.520
  260    H    LEU   5           H        LEU   5 -16.534   0.108   3.364
  261    HA   LEU   5           HA       LEU   5 -14.187  -1.588   3.943
  262   1HB   LEU   5          1HB       LEU   5 -15.867  -1.170   1.531
  263   2HB   LEU   5          2HB       LEU   5 -14.159  -1.440   1.274
  264    HG   LEU   5           HG       LEU   5 -15.853  -3.322   2.904
  265   1HD1  LEU   5          1HD1      LEU   5 -16.605  -2.929   0.457
  266   2HD1  LEU   5          2HD1      LEU   5 -15.142  -3.824   0.043
  267   3HD1  LEU   5          3HD1      LEU   5 -16.387  -4.580   1.037
  268   1HD2  LEU   5          1HD2      LEU   5 -13.105  -3.357   1.731
  269   2HD2  LEU   5          2HD2      LEU   5 -13.640  -3.805   3.350
  270   3HD2  LEU   5          3HD2      LEU   5 -13.975  -4.870   1.985
  271    H    LYS   6           H        LYS   6 -15.319   1.312   2.369
  272    HA   LYS   6           HA       LYS   6 -13.066   2.427   1.321
  273   1HB   LYS   6          1HB       LYS   6 -15.138   3.503   0.983
  274   2HB   LYS   6          2HB       LYS   6 -15.460   3.590   2.704
  275   1HG   LYS   6          1HG       LYS   6 -14.500   5.591   2.865
  276   2HG   LYS   6          2HG       LYS   6 -13.057   5.045   2.010
  277   1HD   LYS   6          1HD       LYS   6 -13.712   6.442   0.385
  278   2HD   LYS   6          2HD       LYS   6 -14.905   5.203  -0.006
  279   1HE   LYS   6          1HE       LYS   6 -16.380   6.879   0.263
  280   2HE   LYS   6          2HE       LYS   6 -16.183   6.526   1.979
  281   1HZ   LYS   6          1HZ       LYS   6 -14.249   8.364   0.835
  282   2HZ   LYS   6          2HZ       LYS   6 -15.837   8.941   0.929
  283   3HZ   LYS   6          3HZ       LYS   6 -15.042   8.417   2.327
  284    H    LYS   7           H        LYS   7 -13.941   2.129   4.695
  285    HA   LYS   7           HA       LYS   7 -11.871   3.936   5.595
  286   1HB   LYS   7          1HB       LYS   7 -14.160   2.583   6.765
  287   2HB   LYS   7          2HB       LYS   7 -12.741   2.463   7.796
  288   1HG   LYS   7          1HG       LYS   7 -13.787   4.398   8.524
  289   2HG   LYS   7          2HG       LYS   7 -12.521   4.996   7.449
  290   1HD   LYS   7          1HD       LYS   7 -15.080   4.421   6.131
  291   2HD   LYS   7          2HD       LYS   7 -15.141   5.723   7.320
  292   1HE   LYS   7          1HE       LYS   7 -12.886   5.720   5.391
  293   2HE   LYS   7          2HE       LYS   7 -14.483   6.145   4.779
  294   1HZ   LYS   7          1HZ       LYS   7 -14.396   7.638   6.970
  295   2HZ   LYS   7          2HZ       LYS   7 -12.747   7.601   6.597
  296   3HZ   LYS   7          3HZ       LYS   7 -13.857   8.182   5.462
  297    H    ARG   8           H        ARG   8 -12.194   0.550   4.963
  298    HA   ARG   8           HA       ARG   8  -9.922  -0.195   6.579
  299   1HB   ARG   8          1HB       ARG   8 -10.392  -2.408   6.005
  300   2HB   ARG   8          2HB       ARG   8 -11.974  -1.650   6.056
  301   1HG   ARG   8          1HG       ARG   8 -12.371  -2.371   4.001
  302   2HG   ARG   8          2HG       ARG   8 -11.023  -1.404   3.404
  303   1HD   ARG   8          1HD       ARG   8  -9.933  -3.276   2.912
  304   2HD   ARG   8          2HD       ARG   8  -9.903  -3.686   4.624
  305    HE   ARG   8           HE       ARG   8 -11.604  -4.815   2.597
  306   1HH1  ARG   8          1HH1      ARG   8 -11.209  -4.237   6.016
  307   2HH1  ARG   8          2HH1      ARG   8 -12.243  -5.544   6.483
  308   1HH2  ARG   8          1HH2      ARG   8 -12.965  -6.535   3.210
  309   2HH2  ARG   8          2HH2      ARG   8 -13.240  -6.849   4.891
  310    H    VAL   9           H        VAL   9 -10.521   0.763   3.303
  311    HA   VAL   9           HA       VAL   9  -8.212  -0.341   2.106
  312    HB   VAL   9           HB       VAL   9  -9.756   2.129   1.295
  313   1HG1  VAL   9          1HG1      VAL   9  -7.326   1.511   0.369
  314   2HG1  VAL   9          2HG1      VAL   9  -8.300   0.494  -0.691
  315   3HG1  VAL   9          3HG1      VAL   9  -8.580   2.233  -0.635
  316   1HG2  VAL   9          1HG2      VAL   9 -10.767  -0.359   1.453
  317   2HG2  VAL   9          2HG2      VAL   9 -11.267   0.823   0.243
  318   3HG2  VAL   9          3HG2      VAL   9 -10.074  -0.410  -0.168
  319    H    GLN  10           H        GLN  10  -8.829   2.692   3.789
  320    HA   GLN  10           HA       GLN  10  -6.484   4.052   3.139
  321   1HB   GLN  10          1HB       GLN  10  -6.882   5.397   5.120
  322   2HB   GLN  10          2HB       GLN  10  -8.402   5.081   4.296
  323   1HG   GLN  10          1HG       GLN  10  -9.258   4.237   6.145
  324   2HG   GLN  10          2HG       GLN  10  -7.978   3.026   6.213
  325   1HE2  GLN  10          2HE2      GLN  10  -5.868   3.862   7.103
  326   2HE2  GLN  10          1HE2      GLN  10  -5.962   4.900   8.481
  327    H    ALA  11           H        ALA  11  -6.957   1.303   5.156
  328    HA   ALA  11           HA       ALA  11  -4.522   1.669   6.667
  329   1HB   ALA  11          1HB       ALA  11  -6.799   0.345   7.210
  330   2HB   ALA  11          2HB       ALA  11  -5.797  -0.986   6.630
  331   3HB   ALA  11          3HB       ALA  11  -5.255  -0.001   7.988
  332    H    LEU  12           H        LEU  12  -4.924   0.969   3.528
  333    HA   LEU  12           HA       LEU  12  -2.715  -0.982   3.497
  334   1HB   LEU  12          1HB       LEU  12  -4.387  -0.588   1.073
  335   2HB   LEU  12          2HB       LEU  12  -3.577  -2.028   1.649
  336    HG   LEU  12           HG       LEU  12  -5.945  -0.991   3.156
  337   1HD1  LEU  12          1HD1      LEU  12  -6.027  -2.586   0.605
  338   2HD1  LEU  12          2HD1      LEU  12  -7.374  -2.447   1.735
  339   3HD1  LEU  12          3HD1      LEU  12  -6.764  -1.013   0.911
  340   1HD2  LEU  12          1HD2      LEU  12  -4.412  -3.511   2.901
  341   2HD2  LEU  12          2HD2      LEU  12  -5.152  -2.769   4.321
  342   3HD2  LEU  12          3HD2      LEU  12  -6.150  -3.648   3.164
  343    H    LYS  13           H        LYS  13  -4.139   1.717   1.673
  344    HA   LYS  13           HA       LYS  13  -1.735   2.180   0.185
  345   1HB   LYS  13          1HB       LYS  13  -2.966   4.287  -0.536
  346   2HB   LYS  13          2HB       LYS  13  -3.711   2.753  -0.956
  347   1HG   LYS  13          1HG       LYS  13  -5.393   4.294  -0.206
  348   2HG   LYS  13          2HG       LYS  13  -5.228   2.997   0.977
  349   1HD   LYS  13          1HD       LYS  13  -4.392   4.379   2.571
  350   2HD   LYS  13          2HD       LYS  13  -3.557   5.400   1.401
  351   1HE   LYS  13          1HE       LYS  13  -6.407   5.599   1.056
  352   2HE   LYS  13          2HE       LYS  13  -5.967   5.935   2.730
  353   1HZ   LYS  13          1HZ       LYS  13  -4.219   7.468   1.731
  354   2HZ   LYS  13          2HZ       LYS  13  -5.086   7.338   0.284
  355   3HZ   LYS  13          3HZ       LYS  13  -5.829   7.982   1.660
  356    H    ALA  14           H        ALA  14  -2.915   3.189   3.247
  357    HA   ALA  14           HA       ALA  14  -1.749   5.696   3.541
  358   1HB   ALA  14          1HB       ALA  14  -2.444   3.514   5.460
  359   2HB   ALA  14          2HB       ALA  14  -1.573   4.940   6.024
  360   3HB   ALA  14          3HB       ALA  14  -3.160   5.115   5.274
  361    H    ARG  15           H        ARG  15  -0.375   2.548   4.511
  362    HA   ARG  15           HA       ARG  15   2.222   3.724   4.946
  363   1HB   ARG  15          1HB       ARG  15   1.155   1.739   6.212
  364   2HB   ARG  15          2HB       ARG  15   1.659   0.772   4.832
  365   1HG   ARG  15          1HG       ARG  15   3.350   0.547   6.454
  366   2HG   ARG  15          2HG       ARG  15   3.992   1.640   5.226
  367   1HD   ARG  15          1HD       ARG  15   2.575   2.784   7.586
  368   2HD   ARG  15          2HD       ARG  15   4.222   2.189   7.786
  369    HE   ARG  15           HE       ARG  15   4.415   3.783   5.616
  370   1HH1  ARG  15          1HH1      ARG  15   3.096   4.272   8.809
  371   2HH1  ARG  15          2HH1      ARG  15   3.449   5.967   8.831
  372   1HH2  ARG  15          1HH2      ARG  15   4.881   6.011   5.643
  373   2HH2  ARG  15          2HH2      ARG  15   4.461   6.955   7.034
  374    H    ASN  16           H        ASN  16   0.686   1.674   2.519
  375    HA   ASN  16           HA       ASN  16   2.915   0.936   1.037
  376   1HB   ASN  16          1HB       ASN  16   0.689   0.006   0.637
  377   2HB   ASN  16          2HB       ASN  16   0.128   1.562   0.042
  378   1HD2  ASN  16          2HD2      ASN  16  -0.294  -0.395  -1.612
  379   2HD2  ASN  16          1HD2      ASN  16   0.837  -0.420  -2.918
  380    H    TYR  17           H        TYR  17   0.868   3.824   0.682
  381    HA   TYR  17           HA       TYR  17   2.045   4.963  -1.534
  382   1HB   TYR  17          1HB       TYR  17   0.041   5.888  -0.503
  383   2HB   TYR  17          2HB       TYR  17   0.961   6.360   0.921
  384    HD1  TYR  17           HD1      TYR  17   2.514   8.254   0.826
  385    HD2  TYR  17           HD2      TYR  17   0.142   7.179  -2.537
  386    HE1  TYR  17           HE1      TYR  17   2.993  10.436  -0.200
  387    HE2  TYR  17           HE2      TYR  17   0.614   9.358  -3.573
  388    HH   TYR  17           HH       TYR  17   1.882  11.951  -1.905
  389    H    ALA  18           H        ALA  18   3.248   4.812   1.740
  390    HA   ALA  18           HA       ALA  18   5.326   6.754   1.324
  391   1HB   ALA  18          1HB       ALA  18   4.153   5.781   3.548
  392   2HB   ALA  18          2HB       ALA  18   5.627   4.814   3.523
  393   3HB   ALA  18          3HB       ALA  18   5.728   6.574   3.538
  394    H    LEU  19           H        LEU  19   5.238   3.202   1.635
  395    HA   LEU  19           HA       LEU  19   7.995   2.837   1.137
  396   1HB   LEU  19          1HB       LEU  19   6.089   0.721   0.294
  397   2HB   LEU  19          2HB       LEU  19   7.596   0.582   1.171
  398    HG   LEU  19           HG       LEU  19   4.910   1.377   2.277
  399   1HD1  LEU  19          1HD1      LEU  19   6.771  -0.930   2.807
  400   2HD1  LEU  19          2HD1      LEU  19   5.316  -0.578   3.738
  401   3HD1  LEU  19          3HD1      LEU  19   5.190  -0.996   2.030
  402   1HD2  LEU  19          1HD2      LEU  19   7.639   1.855   3.309
  403   2HD2  LEU  19          2HD2      LEU  19   6.143   2.744   3.596
  404   3HD2  LEU  19          3HD2      LEU  19   6.451   1.236   4.457
  405    H    LYS  20           H        LYS  20   5.158   2.477  -0.975
  406    HA   LYS  20           HA       LYS  20   6.308   1.785  -3.347
  407   1HB   LYS  20          1HB       LYS  20   3.822   2.547  -2.594
  408   2HB   LYS  20          2HB       LYS  20   4.293   3.935  -3.564
  409   1HG   LYS  20          1HG       LYS  20   4.827   2.392  -5.427
  410   2HG   LYS  20          2HG       LYS  20   4.210   1.059  -4.450
  411   1HD   LYS  20          1HD       LYS  20   2.185   2.934  -4.335
  412   2HD   LYS  20          2HD       LYS  20   2.773   3.067  -5.994
  413   1HE   LYS  20          1HE       LYS  20   2.646   0.326  -5.477
  414   2HE   LYS  20          2HE       LYS  20   1.180   0.997  -4.764
  415   1HZ   LYS  20          1HZ       LYS  20   1.201   2.250  -7.105
  416   2HZ   LYS  20          2HZ       LYS  20   1.967   0.809  -7.552
  417   3HZ   LYS  20          3HZ       LYS  20   0.426   0.767  -6.856
  418    H    GLN  21           H        GLN  21   6.475   4.867  -1.747
  419    HA   GLN  21           HA       GLN  21   7.552   6.229  -4.058
  420   1HB   GLN  21          1HB       GLN  21   6.100   7.443  -2.530
  421   2HB   GLN  21          2HB       GLN  21   7.199   7.124  -1.197
  422   1HG   GLN  21          1HG       GLN  21   8.008   9.151  -1.661
  423   2HG   GLN  21          2HG       GLN  21   8.857   8.336  -2.972
  424   1HE2  GLN  21          2HE2      GLN  21   5.755   9.883  -2.241
  425   2HE2  GLN  21          1HE2      GLN  21   5.552  10.607  -3.796
  426    H    LYS  22           H        LYS  22   8.746   4.994  -0.962
  427    HA   LYS  22           HA       LYS  22  11.440   5.893  -1.564
  428   1HB   LYS  22          1HB       LYS  22  11.993   5.015   0.669
  429   2HB   LYS  22          2HB       LYS  22  10.652   6.153   0.705
  430   1HG   LYS  22          1HG       LYS  22   9.396   4.653   1.733
  431   2HG   LYS  22          2HG       LYS  22   9.575   3.557   0.363
  432   1HD   LYS  22          1HD       LYS  22  10.436   2.260   2.050
  433   2HD   LYS  22          2HD       LYS  22  11.902   3.054   1.473
  434   1HE   LYS  22          1HE       LYS  22  11.946   3.196   3.836
  435   2HE   LYS  22          2HE       LYS  22  11.519   4.801   3.246
  436   1HZ   LYS  22          1HZ       LYS  22   9.118   3.987   3.587
  437   2HZ   LYS  22          2HZ       LYS  22   9.809   2.806   4.580
  438   3HZ   LYS  22          3HZ       LYS  22  10.018   4.445   4.944
  439    H    VAL  23           H        VAL  23   9.675   3.185  -2.417
  440    HA   VAL  23           HA       VAL  23  11.186   0.975  -1.903
  441    HB   VAL  23           HB       VAL  23  10.094   1.546  -4.659
  442   1HG1  VAL  23          1HG1      VAL  23  11.582  -0.556  -3.863
  443   2HG1  VAL  23          2HG1      VAL  23   9.971  -1.141  -3.455
  444   3HG1  VAL  23          3HG1      VAL  23  10.337  -0.653  -5.109
  445   1HG2  VAL  23          1HG2      VAL  23   8.719   0.814  -2.112
  446   2HG2  VAL  23          2HG2      VAL  23   8.230   1.943  -3.372
  447   3HG2  VAL  23          3HG2      VAL  23   8.099   0.208  -3.648
  448    H    GLN  24           H        GLN  24  11.645   2.975  -4.825
  449    HA   GLN  24           HA       GLN  24  14.061   1.774  -5.597
  450   1HB   GLN  24          1HB       GLN  24  13.216   4.606  -6.208
  451   2HB   GLN  24          2HB       GLN  24  14.313   3.598  -7.141
  452   1HG   GLN  24          1HG       GLN  24  12.446   2.075  -7.644
  453   2HG   GLN  24          2HG       GLN  24  11.360   3.152  -6.767
  454   1HE2  GLN  24          2HE2      GLN  24  11.773   2.263  -9.682
  455   2HE2  GLN  24          1HE2      GLN  24  11.677   3.746 -10.563
  456    H    ALA  25           H        ALA  25  13.411   4.705  -3.710
  457    HA   ALA  25           HA       ALA  25  15.959   5.702  -3.413
  458   1HB   ALA  25          1HB       ALA  25  13.858   6.750  -2.576
  459   2HB   ALA  25          2HB       ALA  25  13.897   5.627  -1.217
  460   3HB   ALA  25          3HB       ALA  25  15.196   6.801  -1.429
  461    H    LEU  26           H        LEU  26  14.525   2.902  -1.897
  462    HA   LEU  26           HA       LEU  26  16.612   2.589   0.057
  463   1HB   LEU  26          1HB       LEU  26  14.425   0.724  -0.865
  464   2HB   LEU  26          2HB       LEU  26  15.536   0.365   0.442
  465    HG   LEU  26           HG       LEU  26  13.477   2.567   0.381
  466   1HD1  LEU  26          1HD1      LEU  26  13.695  -0.082   1.737
  467   2HD1  LEU  26          2HD1      LEU  26  12.811   1.231   2.513
  468   3HD1  LEU  26          3HD1      LEU  26  12.315   0.655   0.921
  469   1HD2  LEU  26          1HD2      LEU  26  15.729   2.004   2.275
  470   2HD2  LEU  26          2HD2      LEU  26  15.244   3.535   1.549
  471   3HD2  LEU  26          3HD2      LEU  26  14.257   2.810   2.818
  472    H    ARG  27           H        ARG  27  15.604   0.582  -2.722
  473    HA   ARG  27           HA       ARG  27  17.856  -1.063  -2.741
  474   1HB   ARG  27          1HB       ARG  27  17.239  -1.453  -5.178
  475   2HB   ARG  27          2HB       ARG  27  15.997  -1.800  -3.985
  476   1HG   ARG  27          1HG       ARG  27  15.490   0.815  -4.615
  477   2HG   ARG  27          2HG       ARG  27  16.029   0.145  -6.154
  478   1HD   ARG  27          1HD       ARG  27  14.358  -1.810  -5.265
  479   2HD   ARG  27          2HD       ARG  27  13.578  -0.366  -4.622
  480    HE   ARG  27           HE       ARG  27  14.063   0.297  -7.195
  481   1HH1  ARG  27          1HH1      ARG  27  12.514  -2.447  -5.696
  482   2HH1  ARG  27          2HH1      ARG  27  11.436  -2.722  -7.024
  483   1HH2  ARG  27          1HH2      ARG  27  12.648  -0.063  -8.943
  484   2HH2  ARG  27          2HH2      ARG  27  11.513  -1.369  -8.868
  485    H    HIS  28           H        HIS  28  17.203   1.776  -4.810
  486    HA   HIS  28           HA       HIS  28  19.693   1.784  -6.094
  487   1HB   HIS  28          1HB       HIS  28  17.369   3.463  -6.007
  488   2HB   HIS  28          2HB       HIS  28  18.808   4.470  -5.892
  489    HD1  HIS  28           HD1      HIS  28  18.126   1.374  -8.030
  490    HD2  HIS  28           HD2      HIS  28  19.259   5.356  -8.375
  491    HE1  HIS  28           HE1      HIS  28  18.602   1.767 -10.483
  492    H    LYS  29           H        LYS  29  18.650   4.178  -3.664
  493    HA   LYS  29           HA       LYS  29  21.262   5.052  -3.087
  494   1HB   LYS  29          1HB       LYS  29  18.813   6.011  -2.526
  495   2HB   LYS  29          2HB       LYS  29  19.203   5.297  -0.967
  496   1HG   LYS  29          1HG       LYS  29  20.949   6.748  -0.586
  497   2HG   LYS  29          2HG       LYS  29  21.178   7.088  -2.302
  498   1HD   LYS  29          1HD       LYS  29  18.562   7.860  -1.189
  499   2HD   LYS  29          2HD       LYS  29  19.947   8.765  -0.574
  500   1HE   LYS  29          1HE       LYS  29  20.615   9.297  -2.867
  501   2HE   LYS  29          2HE       LYS  29  19.232   8.393  -3.482
  502   1HZ   LYS  29          1HZ       LYS  29  19.025  10.760  -1.702
  503   2HZ   LYS  29          2HZ       LYS  29  18.865  10.816  -3.385
  504   3HZ   LYS  29          3HZ       LYS  29  17.748   9.946  -2.458
  505    H    GLY  30           H        GLY  30  22.397   4.858  -1.015
  506   1HA   GLY  30          1HA       GLY  30  22.130   3.324   1.107
  507   2HA   GLY  30          2HA       GLY  30  22.346   2.076  -0.110
  508   1HN   NH2  31          1HN       NH2  31  23.908   5.232   0.248
  509   2HN   NH2  31          2HN       NH2  31  25.519   4.618   0.365
  Start of MODEL   24
    1   1H    ACE   0          1H        ACE   0 -23.514   0.143  -4.352
    2   2H    ACE   0          2H        ACE   0 -24.212   1.193  -3.117
    3   3H    ACE   0          3H        ACE   0 -25.212  -0.031  -3.903
    4    H    GLU   1           H        GLU   1 -23.134  -2.070  -3.848
    5    HA   GLU   1           HA       GLU   1 -23.497  -2.933  -1.092
    6   1HB   GLU   1          1HB       GLU   1 -22.691  -5.115  -1.900
    7   2HB   GLU   1          2HB       GLU   1 -24.046  -4.520  -2.847
    8   1HG   GLU   1          1HG       GLU   1 -21.881  -3.555  -4.226
    9   2HG   GLU   1          2HG       GLU   1 -21.315  -5.123  -3.654
   10    H    VAL   2           H        VAL   2 -21.987  -2.716   0.405
   11    HA   VAL   2           HA       VAL   2 -19.603  -1.432   0.234
   12    HB   VAL   2           HB       VAL   2 -20.397  -3.697   2.034
   13   1HG1  VAL   2          1HG1      VAL   2 -17.877  -2.042   2.105
   14   2HG1  VAL   2          2HG1      VAL   2 -18.488  -2.931   3.500
   15   3HG1  VAL   2          3HG1      VAL   2 -18.021  -3.799   2.037
   16   1HG2  VAL   2          1HG2      VAL   2 -21.355  -1.197   1.973
   17   2HG2  VAL   2          2HG2      VAL   2 -21.138  -2.073   3.489
   18   3HG2  VAL   2          3HG2      VAL   2 -19.928  -0.904   2.965
   19    H    ALA   3           H        ALA   3 -20.157  -4.871  -0.284
   20    HA   ALA   3           HA       ALA   3 -17.618  -5.854  -0.416
   21   1HB   ALA   3          1HB       ALA   3 -19.894  -6.992  -0.764
   22   2HB   ALA   3          2HB       ALA   3 -19.629  -6.645  -2.472
   23   3HB   ALA   3          3HB       ALA   3 -18.478  -7.646  -1.588
   24    H    GLN   4           H        GLN   4 -19.159  -3.687  -2.656
   25    HA   GLN   4           HA       GLN   4 -17.510  -4.082  -4.900
   26   1HB   GLN   4          1HB       GLN   4 -19.158  -1.795  -3.884
   27   2HB   GLN   4          2HB       GLN   4 -18.073  -1.535  -5.243
   28   1HG   GLN   4          1HG       GLN   4 -20.124  -3.727  -5.202
   29   2HG   GLN   4          2HG       GLN   4 -20.470  -2.103  -5.794
   30   1HE2  GLN   4          2HE2      GLN   4 -19.760  -5.085  -6.787
   31   2HE2  GLN   4          1HE2      GLN   4 -18.925  -4.743  -8.260
   32    H    LEU   5           H        LEU   5 -16.973  -2.600  -1.847
   33    HA   LEU   5           HA       LEU   5 -14.681  -1.038  -2.595
   34   1HB   LEU   5          1HB       LEU   5 -16.037  -1.771  -0.041
   35   2HB   LEU   5          2HB       LEU   5 -14.402  -1.160   0.014
   36    HG   LEU   5           HG       LEU   5 -16.659   0.358  -1.288
   37   1HD1  LEU   5          1HD1      LEU   5 -16.121  -0.127   1.492
   38   2HD1  LEU   5          2HD1      LEU   5 -15.981   1.577   1.099
   39   3HD1  LEU   5          3HD1      LEU   5 -17.467   0.712   0.734
   40   1HD2  LEU   5          1HD2      LEU   5 -14.169   0.783  -1.809
   41   2HD2  LEU   5          2HD2      LEU   5 -15.192   2.152  -1.373
   42   3HD2  LEU   5          3HD2      LEU   5 -14.105   1.446  -0.178
   43    H    GLU   6           H        GLU   6 -15.302  -4.212  -1.203
   44    HA   GLU   6           HA       GLU   6 -12.848  -4.966  -0.249
   45   1HB   GLU   6          1HB       GLU   6 -15.128  -6.367  -1.464
   46   2HB   GLU   6          2HB       GLU   6 -13.612  -7.237  -1.578
   47   1HG   GLU   6          1HG       GLU   6 -14.024  -6.160   1.075
   48   2HG   GLU   6          2HG       GLU   6 -15.355  -7.203   0.574
   49    H    LYS   7           H        LYS   7 -13.886  -4.579  -3.530
   50    HA   LYS   7           HA       LYS   7 -11.576  -5.801  -4.681
   51   1HB   LYS   7          1HB       LYS   7 -13.107  -3.937  -6.370
   52   2HB   LYS   7          2HB       LYS   7 -12.655  -5.608  -6.668
   53   1HG   LYS   7          1HG       LYS   7 -14.997  -4.615  -5.053
   54   2HG   LYS   7          2HG       LYS   7 -15.041  -5.457  -6.600
   55   1HD   LYS   7          1HD       LYS   7 -13.666  -6.851  -4.383
   56   2HD   LYS   7          2HD       LYS   7 -15.421  -6.683  -4.237
   57   1HE   LYS   7          1HE       LYS   7 -14.485  -7.534  -6.887
   58   2HE   LYS   7          2HE       LYS   7 -14.139  -8.676  -5.590
   59   1HZ   LYS   7          1HZ       LYS   7 -16.834  -7.516  -5.866
   60   2HZ   LYS   7          2HZ       LYS   7 -16.372  -8.831  -6.827
   61   3HZ   LYS   7          3HZ       LYS   7 -16.370  -8.972  -5.141
   62    H    GLU   8           H        GLU   8 -12.589  -2.593  -3.784
   63    HA   GLU   8           HA       GLU   8 -10.521  -1.162  -5.096
   64   1HB   GLU   8          1HB       GLU   8 -12.589  -0.091  -4.257
   65   2HB   GLU   8          2HB       GLU   8 -12.078  -0.424  -2.608
   66   1HG   GLU   8          1HG       GLU   8 -10.724   1.341  -2.551
   67   2HG   GLU   8          2HG       GLU   8 -10.073   1.009  -4.155
   68    H    VAL   9           H        VAL   9 -10.675  -3.097  -2.250
   69    HA   VAL   9           HA       VAL   9  -8.304  -1.985  -1.024
   70    HB   VAL   9           HB       VAL   9  -9.819  -4.525  -0.382
   71   1HG1  VAL   9          1HG1      VAL   9  -7.255  -3.837   0.400
   72   2HG1  VAL   9          2HG1      VAL   9  -8.259  -3.344   1.762
   73   3HG1  VAL   9          3HG1      VAL   9  -8.311  -5.009   1.187
   74   1HG2  VAL   9          1HG2      VAL   9  -9.952  -1.752   0.785
   75   2HG2  VAL   9          2HG2      VAL   9 -11.246  -2.658   0.001
   76   3HG2  VAL   9          3HG2      VAL   9 -10.632  -3.177   1.571
   77    H    ALA  10           H        ALA  10  -9.210  -4.998  -2.679
   78    HA   ALA  10           HA       ALA  10  -6.714  -6.243  -2.652
   79   1HB   ALA  10          1HB       ALA  10  -9.150  -6.938  -3.577
   80   2HB   ALA  10          2HB       ALA  10  -8.323  -6.602  -5.097
   81   3HB   ALA  10          3HB       ALA  10  -7.667  -7.802  -3.984
   82    H    GLN  11           H        GLN  11  -7.903  -3.563  -4.463
   83    HA   GLN  11           HA       GLN  11  -6.243  -3.573  -6.692
   84   1HB   GLN  11          1HB       GLN  11  -7.944  -1.998  -6.766
   85   2HB   GLN  11          2HB       GLN  11  -7.651  -1.447  -5.127
   86   1HG   GLN  11          1HG       GLN  11  -7.016   0.300  -6.594
   87   2HG   GLN  11          2HG       GLN  11  -5.530  -0.399  -5.955
   88   1HE2  GLN  11          2HE2      GLN  11  -4.159  -1.504  -7.319
   89   2HE2  GLN  11          1HE2      GLN  11  -4.327  -1.478  -9.038
   90    H    LEU  12           H        LEU  12  -5.703  -1.708  -3.657
   91    HA   LEU  12           HA       LEU  12  -2.976  -1.206  -4.341
   92   1HB   LEU  12          1HB       LEU  12  -4.252  -1.001  -1.607
   93   2HB   LEU  12          2HB       LEU  12  -2.709  -0.335  -2.092
   94    HG   LEU  12           HG       LEU  12  -5.184   0.525  -3.536
   95   1HD1  LEU  12          1HD1      LEU  12  -5.576   0.751  -1.084
   96   2HD1  LEU  12          2HD1      LEU  12  -4.156   1.786  -1.010
   97   3HD1  LEU  12          3HD1      LEU  12  -5.554   2.282  -1.959
   98   1HD2  LEU  12          1HD2      LEU  12  -2.551   1.850  -2.890
   99   2HD2  LEU  12          2HD2      LEU  12  -3.007   1.145  -4.440
  100   3HD2  LEU  12          3HD2      LEU  12  -3.858   2.566  -3.833
  101    H    GLU  13           H        GLU  13  -4.533  -3.325  -1.935
  102    HA   GLU  13           HA       GLU  13  -2.513  -4.535  -0.687
  103   1HB   GLU  13          1HB       GLU  13  -4.992  -5.728  -1.871
  104   2HB   GLU  13          2HB       GLU  13  -3.836  -6.753  -1.032
  105   1HG   GLU  13          1HG       GLU  13  -4.127  -5.573   0.999
  106   2HG   GLU  13          2HG       GLU  13  -5.034  -4.289   0.201
  107    H    ALA  14           H        ALA  14  -3.277  -5.019  -4.087
  108    HA   ALA  14           HA       ALA  14  -1.499  -7.168  -4.558
  109   1HB   ALA  14          1HB       ALA  14  -3.331  -6.449  -6.099
  110   2HB   ALA  14          2HB       ALA  14  -2.345  -5.053  -6.537
  111   3HB   ALA  14          3HB       ALA  14  -1.772  -6.683  -6.892
  112    H    GLU  15           H        GLU  15  -1.146  -3.663  -5.201
  113    HA   GLU  15           HA       GLU  15   1.651  -3.895  -5.687
  114   1HB   GLU  15          1HB       GLU  15   1.349  -1.327  -5.608
  115   2HB   GLU  15          2HB       GLU  15   0.676  -2.221  -6.945
  116   1HG   GLU  15          1HG       GLU  15  -1.508  -2.000  -6.105
  117   2HG   GLU  15          2HG       GLU  15  -0.929  -1.460  -4.531
  118    H    ASN  16           H        ASN  16  -0.449  -2.627  -3.123
  119    HA   ASN  16           HA       ASN  16   1.391  -1.494  -1.427
  120   1HB   ASN  16          1HB       ASN  16  -1.320  -2.308  -1.337
  121   2HB   ASN  16          2HB       ASN  16  -0.557  -2.959   0.103
  122   1HD2  ASN  16          2HD2      ASN  16  -0.795  -1.697   1.751
  123   2HD2  ASN  16          1HD2      ASN  16  -0.697   0.018   1.751
  124    H    TYR  17           H        TYR  17   0.822  -4.859  -2.099
  125    HA   TYR  17           HA       TYR  17   2.321  -5.800   0.185
  126   1HB   TYR  17          1HB       TYR  17   0.559  -7.235  -0.511
  127   2HB   TYR  17          2HB       TYR  17   1.069  -7.169  -2.195
  128    HD1  TYR  17           HD1      TYR  17   3.141  -8.372  -2.894
  129    HD2  TYR  17           HD2      TYR  17   1.471  -8.837   0.990
  130    HE1  TYR  17           HE1      TYR  17   4.449 -10.431  -2.586
  131    HE2  TYR  17           HE2      TYR  17   2.774 -10.897   1.310
  132    HH   TYR  17           HH       TYR  17   5.340 -11.776  -0.661
  133    H    GLN  18           H        GLN  18   2.958  -4.867  -3.073
  134    HA   GLN  18           HA       GLN  18   5.410  -6.328  -3.352
  135   1HB   GLN  18          1HB       GLN  18   3.744  -5.222  -5.144
  136   2HB   GLN  18          2HB       GLN  18   4.918  -3.920  -5.015
  137   1HG   GLN  18          1HG       GLN  18   5.968  -5.049  -6.636
  138   2HG   GLN  18          2HG       GLN  18   6.572  -6.024  -5.297
  139   1HE2  GLN  18          2HE2      GLN  18   4.773  -7.728  -4.631
  140   2HE2  GLN  18          1HE2      GLN  18   4.210  -8.688  -5.952
  141    H    LEU  19           H        LEU  19   4.661  -3.822  -1.382
  142    HA   LEU  19           HA       LEU  19   7.400  -2.765  -1.482
  143   1HB   LEU  19          1HB       LEU  19   4.821  -1.306  -0.936
  144   2HB   LEU  19          2HB       LEU  19   6.385  -0.648  -0.510
  145    HG   LEU  19           HG       LEU  19   5.359  -1.248  -3.281
  146   1HD1  LEU  19          1HD1      LEU  19   5.718   1.181  -1.637
  147   2HD1  LEU  19          2HD1      LEU  19   6.163   1.298  -3.340
  148   3HD1  LEU  19          3HD1      LEU  19   4.528   0.817  -2.888
  149   1HD2  LEU  19          1HD2      LEU  19   8.118  -0.525  -2.333
  150   2HD2  LEU  19          2HD2      LEU  19   7.630  -1.872  -3.361
  151   3HD2  LEU  19          3HD2      LEU  19   7.570  -0.223  -3.982
  152    H    GLU  20           H        GLU  20   4.543  -2.914   0.657
  153    HA   GLU  20           HA       GLU  20   5.872  -2.674   3.076
  154   1HB   GLU  20          1HB       GLU  20   3.296  -2.907   2.394
  155   2HB   GLU  20          2HB       GLU  20   3.569  -4.547   2.963
  156   1HG   GLU  20          1HG       GLU  20   4.706  -2.938   4.916
  157   2HG   GLU  20          2HG       GLU  20   3.222  -2.105   4.459
  158    H    GLN  21           H        GLN  21   5.607  -5.425   0.959
  159    HA   GLN  21           HA       GLN  21   6.846  -7.156   2.975
  160   1HB   GLN  21          1HB       GLN  21   4.809  -7.656   1.199
  161   2HB   GLN  21          2HB       GLN  21   6.198  -8.355   0.379
  162   1HG   GLN  21          1HG       GLN  21   5.976  -9.024   3.226
  163   2HG   GLN  21          2HG       GLN  21   4.677  -9.642   2.205
  164   1HE2  GLN  21          2HE2      GLN  21   8.214  -9.352   2.224
  165   2HE2  GLN  21          1HE2      GLN  21   8.517 -10.918   1.561
  166    H    GLU  22           H        GLU  22   7.383  -5.672  -0.148
  167    HA   GLU  22           HA       GLU  22   9.818  -7.100  -0.680
  168   1HB   GLU  22          1HB       GLU  22   8.153  -5.890  -2.324
  169   2HB   GLU  22          2HB       GLU  22   9.167  -4.492  -1.988
  170   1HG   GLU  22          1HG       GLU  22  10.439  -5.214  -3.660
  171   2HG   GLU  22          2HG       GLU  22  11.008  -6.445  -2.534
  172    H    VAL  23           H        VAL  23   8.914  -4.180   0.961
  173    HA   VAL  23           HA       VAL  23  11.386  -2.838   0.949
  174    HB   VAL  23           HB       VAL  23   9.097  -2.791   2.917
  175   1HG1  VAL  23          1HG1      VAL  23  11.741  -1.439   3.034
  176   2HG1  VAL  23          2HG1      VAL  23  10.315  -0.525   3.529
  177   3HG1  VAL  23          3HG1      VAL  23  10.716  -2.040   4.337
  178   1HG2  VAL  23          1HG2      VAL  23   9.391  -1.695   0.379
  179   2HG2  VAL  23          2HG2      VAL  23   8.175  -1.267   1.581
  180   3HG2  VAL  23          3HG2      VAL  23   9.675  -0.347   1.480
  181    H    ALA  24           H        ALA  24   9.973  -5.201   3.171
  182    HA   ALA  24           HA       ALA  24  11.916  -5.219   5.149
  183   1HB   ALA  24          1HB       ALA  24   9.613  -6.551   4.769
  184   2HB   ALA  24          2HB       ALA  24  10.769  -7.840   4.432
  185   3HB   ALA  24          3HB       ALA  24  10.810  -7.002   5.983
  186    H    GLN  25           H        GLN  25  12.051  -6.467   1.920
  187    HA   GLN  25           HA       GLN  25  14.524  -7.921   2.534
  188   1HB   GLN  25          1HB       GLN  25  14.246  -9.030   0.390
  189   2HB   GLN  25          2HB       GLN  25  12.776  -9.182   1.342
  190   1HG   GLN  25          1HG       GLN  25  11.630  -7.618   0.019
  191   2HG   GLN  25          2HG       GLN  25  13.117  -7.043  -0.731
  192   1HE2  GLN  25          2HE2      GLN  25  12.706  -7.461  -2.822
  193   2HE2  GLN  25          1HE2      GLN  25  12.395  -9.034  -3.467
  194    H    LEU  26           H        LEU  26  13.222  -5.267   0.670
  195    HA   LEU  26           HA       LEU  26  15.305  -4.772  -1.092
  196   1HB   LEU  26          1HB       LEU  26  13.273  -3.038   0.240
  197   2HB   LEU  26          2HB       LEU  26  14.549  -2.291  -0.700
  198    HG   LEU  26           HG       LEU  26  12.951  -4.473  -1.958
  199   1HD1  LEU  26          1HD1      LEU  26  12.005  -1.646  -1.533
  200   2HD1  LEU  26          2HD1      LEU  26  11.335  -2.741  -2.742
  201   3HD1  LEU  26          3HD1      LEU  26  11.207  -3.135  -1.028
  202   1HD2  LEU  26          1HD2      LEU  26  14.496  -2.065  -2.833
  203   2HD2  LEU  26          2HD2      LEU  26  14.657  -3.743  -3.346
  204   3HD2  LEU  26          3HD2      LEU  26  13.283  -2.783  -3.893
  205    H    GLU  27           H        GLU  27  14.824  -3.340   2.125
  206    HA   GLU  27           HA       GLU  27  17.117  -1.816   2.250
  207   1HB   GLU  27          1HB       GLU  27  16.897  -2.144   4.777
  208   2HB   GLU  27          2HB       GLU  27  15.532  -1.439   3.923
  209   1HG   GLU  27          1HG       GLU  27  14.287  -2.948   4.969
  210   2HG   GLU  27          2HG       GLU  27  14.972  -4.128   3.854
  211    H    HIS  28           H        HIS  28  16.759  -5.249   3.145
  212    HA   HIS  28           HA       HIS  28  19.562  -5.335   3.901
  213   1HB   HIS  28          1HB       HIS  28  19.145  -7.358   4.940
  214   2HB   HIS  28          2HB       HIS  28  17.598  -6.540   5.103
  215    HD1  HIS  28           HD1      HIS  28  15.726  -8.126   4.703
  216    HD2  HIS  28           HD2      HIS  28  19.037  -9.011   2.355
  217    HE1  HIS  28           HE1      HIS  28  15.113 -10.175   3.353
  218    H    GLU  29           H        GLU  29  17.685  -6.013   1.106
  219    HA   GLU  29           HA       GLU  29  19.679  -7.831   0.015
  220   1HB   GLU  29          1HB       GLU  29  18.193  -8.192  -1.800
  221   2HB   GLU  29          2HB       GLU  29  17.204  -8.148  -0.348
  222   1HG   GLU  29          1HG       GLU  29  15.926  -6.644  -1.336
  223   2HG   GLU  29          2HG       GLU  29  17.278  -5.515  -1.275
  224    H    GLY  30           H        GLY  30  20.950  -5.549   0.525
  225   1HA   GLY  30          1HA       GLY  30  20.941  -3.866  -1.854
  226   2HA   GLY  30          2HA       GLY  30  21.881  -3.600  -0.394
  227   1HN   NH2  31          1HN       NH2  31  21.616  -5.985  -3.015
  228   2HN   NH2  31          2HN       NH2  31  23.318  -6.191  -3.229
  229   1H    ACE   0          1H        ACE   0 -21.562  -0.337  -1.127
  230   2H    ACE   0          2H        ACE   0 -20.915  -0.575  -2.752
  231   3H    ACE   0          3H        ACE   0 -21.636   0.971  -2.306
  232    H    GLU   1           H        GLU   1 -20.254   2.522  -1.777
  233    HA   GLU   1           HA       GLU   1 -17.483   1.845  -1.179
  234   1HB   GLU   1          1HB       GLU   1 -17.899   4.657  -1.084
  235   2HB   GLU   1          2HB       GLU   1 -16.961   3.735  -2.267
  236   1HG   GLU   1          1HG       GLU   1 -19.913   4.326  -2.447
  237   2HG   GLU   1          2HG       GLU   1 -18.637   5.159  -3.333
  238    H    VAL   2           H        VAL   2 -20.268   2.613   0.488
  239    HA   VAL   2           HA       VAL   2 -19.698   4.219   2.466
  240    HB   VAL   2           HB       VAL   2 -21.615   3.121   2.947
  241   1HG1  VAL   2          1HG1      VAL   2 -20.100   0.733   2.019
  242   2HG1  VAL   2          2HG1      VAL   2 -21.609   0.533   2.911
  243   3HG1  VAL   2          3HG1      VAL   2 -21.593   1.430   1.393
  244   1HG2  VAL   2          1HG2      VAL   2 -20.314   3.133   5.032
  245   2HG2  VAL   2          2HG2      VAL   2 -21.402   1.747   4.950
  246   3HG2  VAL   2          3HG2      VAL   2 -19.680   1.536   4.639
  247    H    GLN   3           H        GLN   3 -18.026   4.750   3.426
  248    HA   GLN   3           HA       GLN   3 -15.557   3.921   3.583
  249   1HB   GLN   3          1HB       GLN   3 -17.257   5.372   5.465
  250   2HB   GLN   3          2HB       GLN   3 -15.865   4.618   6.230
  251   1HG   GLN   3          1HG       GLN   3 -14.361   5.783   4.759
  252   2HG   GLN   3          2HG       GLN   3 -15.713   6.429   3.831
  253   1HE2  GLN   3          2HE2      GLN   3 -15.240   6.157   7.326
  254   2HE2  GLN   3          1HE2      GLN   3 -15.373   7.847   7.654
  255    H    ALA   4           H        ALA   4 -17.791   1.809   4.105
  256    HA   ALA   4           HA       ALA   4 -17.226   0.320   6.381
  257   1HB   ALA   4          1HB       ALA   4 -18.114  -0.453   3.597
  258   2HB   ALA   4          2HB       ALA   4 -18.015  -1.623   4.911
  259   3HB   ALA   4          3HB       ALA   4 -19.125  -0.256   5.028
  260    H    LEU   5           H        LEU   5 -15.950   0.254   3.176
  261    HA   LEU   5           HA       LEU   5 -13.449  -0.953   4.142
  262   1HB   LEU   5          1HB       LEU   5 -15.177  -1.722   1.857
  263   2HB   LEU   5          2HB       LEU   5 -13.450  -1.759   1.600
  264    HG   LEU   5           HG       LEU   5 -14.557  -3.146   3.998
  265   1HD1  LEU   5          1HD1      LEU   5 -14.755  -4.166   1.173
  266   2HD1  LEU   5          2HD1      LEU   5 -14.870  -5.191   2.603
  267   3HD1  LEU   5          3HD1      LEU   5 -16.067  -3.926   2.325
  268   1HD2  LEU   5          1HD2      LEU   5 -12.055  -2.868   2.948
  269   2HD2  LEU   5          2HD2      LEU   5 -12.561  -4.163   4.034
  270   3HD2  LEU   5          3HD2      LEU   5 -12.554  -4.426   2.291
  271    H    LYS   6           H        LYS   6 -15.026   1.649   2.835
  272    HA   LYS   6           HA       LYS   6 -12.976   2.490   0.994
  273   1HB   LYS   6          1HB       LYS   6 -15.042   3.119   0.300
  274   2HB   LYS   6          2HB       LYS   6 -15.645   3.280   1.924
  275   1HG   LYS   6          1HG       LYS   6 -14.896   5.476   2.096
  276   2HG   LYS   6          2HG       LYS   6 -13.792   5.294   0.721
  277   1HD   LYS   6          1HD       LYS   6 -15.507   6.312  -0.386
  278   2HD   LYS   6          2HD       LYS   6 -16.070   4.633  -0.498
  279   1HE   LYS   6          1HE       LYS   6 -17.876   6.125   0.192
  280   2HE   LYS   6          2HE       LYS   6 -17.498   4.978   1.478
  281   1HZ   LYS   6          1HZ       LYS   6 -15.907   7.153   1.987
  282   2HZ   LYS   6          2HZ       LYS   6 -17.371   7.835   1.488
  283   3HZ   LYS   6          3HZ       LYS   6 -17.344   6.753   2.787
  284    H    LYS   7           H        LYS   7 -13.591   2.652   4.365
  285    HA   LYS   7           HA       LYS   7 -11.934   5.039   4.723
  286   1HB   LYS   7          1HB       LYS   7 -12.564   5.008   6.986
  287   2HB   LYS   7          2HB       LYS   7 -14.006   4.487   6.135
  288   1HG   LYS   7          1HG       LYS   7 -13.179   2.101   6.610
  289   2HG   LYS   7          2HG       LYS   7 -12.120   2.867   7.795
  290   1HD   LYS   7          1HD       LYS   7 -15.073   3.403   7.749
  291   2HD   LYS   7          2HD       LYS   7 -14.401   2.010   8.599
  292   1HE   LYS   7          1HE       LYS   7 -12.966   3.525   9.902
  293   2HE   LYS   7          2HE       LYS   7 -13.694   4.902   9.077
  294   1HZ   LYS   7          1HZ       LYS   7 -15.885   3.838   9.963
  295   2HZ   LYS   7          2HZ       LYS   7 -14.856   3.121  11.100
  296   3HZ   LYS   7          3HZ       LYS   7 -14.939   4.806  10.977
  297    H    ARG   8           H        ARG   8 -11.630   1.649   4.542
  298    HA   ARG   8           HA       ARG   8  -9.200   1.519   6.115
  299   1HB   ARG   8          1HB       ARG   8  -9.354  -0.813   5.930
  300   2HB   ARG   8          2HB       ARG   8 -11.016  -0.267   6.074
  301   1HG   ARG   8          1HG       ARG   8 -11.428  -1.549   4.296
  302   2HG   ARG   8          2HG       ARG   8 -10.622  -0.292   3.359
  303   1HD   ARG   8          1HD       ARG   8  -9.243  -1.917   2.692
  304   2HD   ARG   8          2HD       ARG   8  -8.504  -1.744   4.281
  305    HE   ARG   8           HE       ARG   8 -10.306  -3.868   3.410
  306   1HH1  ARG   8          1HH1      ARG   8  -8.398  -2.450   5.975
  307   2HH1  ARG   8          2HH1      ARG   8  -8.444  -3.874   6.957
  308   1HH2  ARG   8          1HH2      ARG   8 -10.360  -5.732   4.706
  309   2HH2  ARG   8          2HH2      ARG   8  -9.553  -5.734   6.239
  310    H    VAL   9           H        VAL   9 -10.140   1.488   2.709
  311    HA   VAL   9           HA       VAL   9  -7.912   0.483   1.468
  312    HB   VAL   9           HB       VAL   9  -9.486   2.923   0.613
  313   1HG1  VAL   9          1HG1      VAL   9  -7.515   1.213  -0.895
  314   2HG1  VAL   9          2HG1      VAL   9  -8.665   2.297  -1.679
  315   3HG1  VAL   9          3HG1      VAL   9  -7.436   2.950  -0.597
  316   1HG2  VAL   9          1HG2      VAL   9 -10.374   0.350   0.901
  317   2HG2  VAL   9          2HG2      VAL   9 -11.069   1.553  -0.186
  318   3HG2  VAL   9          3HG2      VAL   9  -9.890   0.391  -0.794
  319    H    GLN  10           H        GLN  10  -8.314   3.813   2.670
  320    HA   GLN  10           HA       GLN  10  -5.931   4.902   1.806
  321   1HB   GLN  10          1HB       GLN  10  -6.061   6.353   3.859
  322   2HB   GLN  10          2HB       GLN  10  -7.526   6.313   2.888
  323   1HG   GLN  10          1HG       GLN  10  -8.731   5.521   4.573
  324   2HG   GLN  10          2HG       GLN  10  -7.542   4.272   4.937
  325   1HE2  GLN  10          2HE2      GLN  10  -8.368   7.649   5.450
  326   2HE2  GLN  10          1HE2      GLN  10  -7.517   7.824   6.943
  327    H    ALA  11           H        ALA  11  -6.535   2.654   4.403
  328    HA   ALA  11           HA       ALA  11  -4.113   2.858   5.788
  329   1HB   ALA  11          1HB       ALA  11  -6.315   1.524   6.294
  330   2HB   ALA  11          2HB       ALA  11  -5.446   0.211   5.500
  331   3HB   ALA  11          3HB       ALA  11  -4.763   0.982   6.932
  332    H    LEU  12           H        LEU  12  -4.797   1.558   2.666
  333    HA   LEU  12           HA       LEU  12  -2.329  -0.005   2.662
  334   1HB   LEU  12          1HB       LEU  12  -3.958   0.209   0.191
  335   2HB   LEU  12          2HB       LEU  12  -3.116  -1.155   0.834
  336    HG   LEU  12           HG       LEU  12  -5.524  -0.230   2.316
  337   1HD1  LEU  12          1HD1      LEU  12  -5.536  -1.569  -0.359
  338   2HD1  LEU  12          2HD1      LEU  12  -6.807  -1.882   0.820
  339   3HD1  LEU  12          3HD1      LEU  12  -6.538  -0.243   0.229
  340   1HD2  LEU  12          1HD2      LEU  12  -3.960  -2.087   3.039
  341   2HD2  LEU  12          2HD2      LEU  12  -5.674  -2.491   2.957
  342   3HD2  LEU  12          3HD2      LEU  12  -4.584  -3.010   1.673
  343    H    LYS  13           H        LYS  13  -3.876   2.540   0.701
  344    HA   LYS  13           HA       LYS  13  -1.450   3.101  -0.713
  345   1HB   LYS  13          1HB       LYS  13  -2.756   5.006  -1.672
  346   2HB   LYS  13          2HB       LYS  13  -3.479   3.422  -1.900
  347   1HG   LYS  13          1HG       LYS  13  -5.326   4.567  -1.257
  348   2HG   LYS  13          2HG       LYS  13  -4.740   4.098   0.340
  349   1HD   LYS  13          1HD       LYS  13  -4.372   6.218   0.923
  350   2HD   LYS  13          2HD       LYS  13  -3.508   6.549  -0.579
  351   1HE   LYS  13          1HE       LYS  13  -6.407   6.271  -0.895
  352   2HE   LYS  13          2HE       LYS  13  -5.920   7.624   0.124
  353   1HZ   LYS  13          1HZ       LYS  13  -4.490   7.279  -2.394
  354   2HZ   LYS  13          2HZ       LYS  13  -6.090   7.816  -2.494
  355   3HZ   LYS  13          3HZ       LYS  13  -4.955   8.698  -1.601
  356    H    ALA  14           H        ALA  14  -3.263   4.808   1.839
  357    HA   ALA  14           HA       ALA  14  -1.758   7.131   1.930
  358   1HB   ALA  14          1HB       ALA  14  -3.869   6.581   3.225
  359   2HB   ALA  14          2HB       ALA  14  -2.817   5.802   4.407
  360   3HB   ALA  14          3HB       ALA  14  -2.644   7.525   4.072
  361    H    ARG  15           H        ARG  15  -1.060   3.989   3.384
  362    HA   ARG  15           HA       ARG  15   1.358   5.021   4.631
  363   1HB   ARG  15          1HB       ARG  15  -0.016   3.421   5.874
  364   2HB   ARG  15          2HB       ARG  15   0.200   2.230   4.599
  365   1HG   ARG  15          1HG       ARG  15   1.668   1.684   6.394
  366   2HG   ARG  15          2HG       ARG  15   2.643   2.278   5.048
  367   1HD   ARG  15          1HD       ARG  15   3.550   3.343   6.917
  368   2HD   ARG  15          2HD       ARG  15   2.496   4.561   6.202
  369    HE   ARG  15           HE       ARG  15   1.293   4.546   8.133
  370   1HH1  ARG  15          1HH1      ARG  15   2.989   1.506   7.892
  371   2HH1  ARG  15          2HH1      ARG  15   2.464   0.948   9.445
  372   1HH2  ARG  15          1HH2      ARG  15   0.602   3.813  10.176
  373   2HH2  ARG  15          2HH2      ARG  15   1.108   2.256  10.741
  374    H    ASN  16           H        ASN  16   0.412   2.989   1.917
  375    HA   ASN  16           HA       ASN  16   3.057   2.066   1.364
  376   1HB   ASN  16          1HB       ASN  16   1.114   0.790   0.660
  377   2HB   ASN  16          2HB       ASN  16   0.589   2.115  -0.374
  378   1HD2  ASN  16          2HD2      ASN  16   0.722   1.209  -2.328
  379   2HD2  ASN  16          1HD2      ASN  16   2.166   0.564  -3.022
  380    H    TYR  17           H        TYR  17   1.075   4.750   0.249
  381    HA   TYR  17           HA       TYR  17   2.422   5.578  -1.986
  382   1HB   TYR  17          1HB       TYR  17   0.528   6.842  -1.481
  383   2HB   TYR  17          2HB       TYR  17   1.019   7.094   0.192
  384    HD1  TYR  17           HD1      TYR  17   1.620   8.149  -3.298
  385    HD2  TYR  17           HD2      TYR  17   2.373   8.956   0.810
  386    HE1  TYR  17           HE1      TYR  17   2.558  10.339  -3.905
  387    HE2  TYR  17           HE2      TYR  17   3.310  11.149   0.216
  388    HH   TYR  17           HH       TYR  17   4.433  12.145  -1.944
  389    H    ALA  18           H        ALA  18   3.215   6.321   1.389
  390    HA   ALA  18           HA       ALA  18   5.453   7.943   0.879
  391   1HB   ALA  18          1HB       ALA  18   4.166   7.711   3.046
  392   2HB   ALA  18          2HB       ALA  18   5.096   6.240   3.330
  393   3HB   ALA  18          3HB       ALA  18   5.922   7.791   3.186
  394    H    LEU  19           H        LEU  19   5.172   4.452   1.446
  395    HA   LEU  19           HA       LEU  19   7.913   3.894   1.554
  396   1HB   LEU  19          1HB       LEU  19   6.139   1.895   0.279
  397   2HB   LEU  19          2HB       LEU  19   7.379   1.679   1.495
  398    HG   LEU  19           HG       LEU  19   4.593   2.729   1.951
  399   1HD1  LEU  19          1HD1      LEU  19   5.960   0.137   2.338
  400   2HD1  LEU  19          2HD1      LEU  19   4.821   0.653   3.582
  401   3HD1  LEU  19          3HD1      LEU  19   4.285   0.486   1.910
  402   1HD2  LEU  19          1HD2      LEU  19   6.294   3.885   3.342
  403   2HD2  LEU  19          2HD2      LEU  19   5.147   2.923   4.275
  404   3HD2  LEU  19          3HD2      LEU  19   6.777   2.314   3.982
  405    H    LYS  20           H        LYS  20   5.653   3.862  -1.165
  406    HA   LYS  20           HA       LYS  20   7.209   2.978  -3.223
  407   1HB   LYS  20          1HB       LYS  20   4.762   4.142  -3.045
  408   2HB   LYS  20          2HB       LYS  20   5.664   5.407  -3.868
  409   1HG   LYS  20          1HG       LYS  20   6.403   3.621  -5.505
  410   2HG   LYS  20          2HG       LYS  20   5.176   2.586  -4.771
  411   1HD   LYS  20          1HD       LYS  20   3.602   4.621  -5.218
  412   2HD   LYS  20          2HD       LYS  20   4.840   5.076  -6.392
  413   1HE   LYS  20          1HE       LYS  20   4.586   2.986  -7.550
  414   2HE   LYS  20          2HE       LYS  20   3.492   2.381  -6.307
  415   1HZ   LYS  20          1HZ       LYS  20   2.029   4.337  -6.934
  416   2HZ   LYS  20          2HZ       LYS  20   2.995   4.495  -8.315
  417   3HZ   LYS  20          3HZ       LYS  20   2.121   3.069  -8.049
  418    H    GLN  21           H        GLN  21   7.465   6.001  -1.534
  419    HA   GLN  21           HA       GLN  21   9.242   7.200  -3.468
  420   1HB   GLN  21          1HB       GLN  21   7.708   8.626  -2.258
  421   2HB   GLN  21          2HB       GLN  21   8.342   8.064  -0.717
  422   1HG   GLN  21          1HG       GLN  21  10.585   9.027  -1.964
  423   2HG   GLN  21          2HG       GLN  21   9.329  10.133  -2.519
  424   1HE2  GLN  21          2HE2      GLN  21  10.244   8.498   0.500
  425   2HE2  GLN  21          1HE2      GLN  21  10.079   9.893   1.504
  426    H    LYS  22           H        LYS  22   9.492   5.547  -0.376
  427    HA   LYS  22           HA       LYS  22  12.341   6.098  -0.176
  428   1HB   LYS  22          1HB       LYS  22  12.232   5.024   1.973
  429   2HB   LYS  22          2HB       LYS  22  10.855   6.110   1.828
  430   1HG   LYS  22          1HG       LYS  22   9.450   4.193   1.207
  431   2HG   LYS  22          2HG       LYS  22  10.820   3.124   1.462
  432   1HD   LYS  22          1HD       LYS  22   9.253   4.685   3.471
  433   2HD   LYS  22          2HD       LYS  22   9.617   2.964   3.447
  434   1HE   LYS  22          1HE       LYS  22  12.048   3.613   3.757
  435   2HE   LYS  22          2HE       LYS  22  11.469   5.241   4.106
  436   1HZ   LYS  22          1HZ       LYS  22   9.935   3.816   5.742
  437   2HZ   LYS  22          2HZ       LYS  22  11.311   2.832   5.719
  438   3HZ   LYS  22          3HZ       LYS  22  11.435   4.449   6.198
  439    H    VAL  23           H        VAL  23  10.422   3.767  -1.693
  440    HA   VAL  23           HA       VAL  23  11.481   1.327  -1.279
  441    HB   VAL  23           HB       VAL  23  11.010   2.482  -4.029
  442   1HG1  VAL  23          1HG1      VAL  23  12.279   0.361  -4.025
  443   2HG1  VAL  23          2HG1      VAL  23  10.975  -0.391  -3.105
  444   3HG1  VAL  23          3HG1      VAL  23  10.677   0.191  -4.742
  445   1HG2  VAL  23          1HG2      VAL  23   9.169   1.157  -2.050
  446   2HG2  VAL  23          2HG2      VAL  23   9.044   2.778  -2.728
  447   3HG2  VAL  23          3HG2      VAL  23   8.776   1.372  -3.756
  448    H    GLN  24           H        GLN  24  12.937   3.688  -3.534
  449    HA   GLN  24           HA       GLN  24  15.264   2.123  -3.996
  450   1HB   GLN  24          1HB       GLN  24  15.164   5.103  -4.356
  451   2HB   GLN  24          2HB       GLN  24  16.055   3.912  -5.293
  452   1HG   GLN  24          1HG       GLN  24  13.824   3.041  -6.080
  453   2HG   GLN  24          2HG       GLN  24  13.106   4.472  -5.345
  454   1HE2  GLN  24          2HE2      GLN  24  15.963   3.799  -7.347
  455   2HE2  GLN  24          1HE2      GLN  24  15.644   5.032  -8.514
  456    H    ALA  25           H        ALA  25  14.390   4.565  -1.661
  457    HA   ALA  25           HA       ALA  25  16.996   5.148  -0.722
  458   1HB   ALA  25          1HB       ALA  25  14.890   6.499  -0.333
  459   2HB   ALA  25          2HB       ALA  25  14.478   5.323   0.915
  460   3HB   ALA  25          3HB       ALA  25  15.948   6.288   1.063
  461    H    LEU  26           H        LEU  26  14.871   2.482  -0.244
  462    HA   LEU  26           HA       LEU  26  16.009   1.601   2.239
  463   1HB   LEU  26          1HB       LEU  26  14.233   0.212   0.233
  464   2HB   LEU  26          2HB       LEU  26  14.704  -0.479   1.775
  465    HG   LEU  26           HG       LEU  26  13.282   2.161   1.632
  466   1HD1  LEU  26          1HD1      LEU  26  12.165  -0.578   1.314
  467   2HD1  LEU  26          2HD1      LEU  26  11.259   0.613   2.247
  468   3HD1  LEU  26          3HD1      LEU  26  11.671   0.940   0.566
  469   1HD2  LEU  26          1HD2      LEU  26  14.452   1.330   3.722
  470   2HD2  LEU  26          2HD2      LEU  26  12.749   1.751   3.893
  471   3HD2  LEU  26          3HD2      LEU  26  13.231   0.059   3.781
  472    H    ARG  27           H        ARG  27  16.041   0.202  -1.052
  473    HA   ARG  27           HA       ARG  27  17.902  -1.779  -0.636
  474   1HB   ARG  27          1HB       ARG  27  18.545  -1.300  -3.123
  475   2HB   ARG  27          2HB       ARG  27  16.942  -1.898  -2.729
  476   1HG   ARG  27          1HG       ARG  27  16.748   0.891  -2.631
  477   2HG   ARG  27          2HG       ARG  27  17.726   0.527  -4.051
  478   1HD   ARG  27          1HD       ARG  27  15.743  -1.341  -4.235
  479   2HD   ARG  27          2HD       ARG  27  14.886   0.034  -3.540
  480    HE   ARG  27           HE       ARG  27  16.365   1.026  -5.652
  481   1HH1  ARG  27          1HH1      ARG  27  13.807  -1.305  -5.202
  482   2HH1  ARG  27          2HH1      ARG  27  13.130  -1.052  -6.775
  483   1HH2  ARG  27          1HH2      ARG  27  15.472   1.362  -7.721
  484   2HH2  ARG  27          2HH2      ARG  27  14.075   0.463  -8.206
  485    H    HIS  28           H        HIS  28  18.443   1.639  -0.827
  486    HA   HIS  28           HA       HIS  28  21.182   1.637  -1.471
  487   1HB   HIS  28          1HB       HIS  28  19.229   3.558  -0.414
  488   2HB   HIS  28          2HB       HIS  28  20.876   3.846   0.134
  489    HD1  HIS  28           HD1      HIS  28  22.221   2.905  -2.619
  490    HD2  HIS  28           HD2      HIS  28  19.157   5.672  -2.158
  491    HE1  HIS  28           HE1      HIS  28  22.291   4.389  -4.666
  492    H    LYS  29           H        LYS  29  19.474   1.075   1.524
  493    HA   LYS  29           HA       LYS  29  21.538   1.498   3.356
  494   1HB   LYS  29          1HB       LYS  29  18.954   0.140   3.340
  495   2HB   LYS  29          2HB       LYS  29  20.117  -0.642   4.400
  496   1HG   LYS  29          1HG       LYS  29  20.517   1.844   5.202
  497   2HG   LYS  29          2HG       LYS  29  18.872   2.043   4.593
  498   1HD   LYS  29          1HD       LYS  29  19.746  -0.037   6.599
  499   2HD   LYS  29          2HD       LYS  29  18.936   1.479   6.995
  500   1HE   LYS  29          1HE       LYS  29  17.383   0.246   5.000
  501   2HE   LYS  29          2HE       LYS  29  17.808  -1.020   6.151
  502   1HZ   LYS  29          1HZ       LYS  29  16.921   1.498   7.297
  503   2HZ   LYS  29          2HZ       LYS  29  15.741   0.612   6.470
  504   3HZ   LYS  29          3HZ       LYS  29  16.572  -0.089   7.767
  505    H    GLY  30           H        GLY  30  22.102  -0.715   4.760
  506   1HA   GLY  30          1HA       GLY  30  23.651  -2.331   2.834
  507   2HA   GLY  30          2HA       GLY  30  24.163  -1.979   4.478
  508   1HN   NH2  31          1HN       NH2  31  22.825  -2.897   6.219
  509   2HN   NH2  31          2HN       NH2  31  22.104  -4.448   5.972
  Start of MODEL   25
    1   1H    ACE   0          1H        ACE   0 -23.875   3.248  -4.790
    2   2H    ACE   0          2H        ACE   0 -23.735   4.630  -5.876
    3   3H    ACE   0          3H        ACE   0 -23.103   4.733  -4.233
    4    H    GLU   1           H        GLU   1 -20.950   4.701  -4.229
    5    HA   GLU   1           HA       GLU   1 -19.493   3.363  -6.364
    6   1HB   GLU   1          1HB       GLU   1 -18.874   5.422  -4.326
    7   2HB   GLU   1          2HB       GLU   1 -17.544   4.387  -4.827
    8   1HG   GLU   1          1HG       GLU   1 -18.092   4.999  -7.197
    9   2HG   GLU   1          2HG       GLU   1 -19.214   6.196  -6.550
   10    H    VAL   2           H        VAL   2 -20.916   1.884  -4.203
   11    HA   VAL   2           HA       VAL   2 -19.427   0.773  -2.237
   12    HB   VAL   2           HB       VAL   2 -21.223  -0.734  -4.140
   13   1HG1  VAL   2          1HG1      VAL   2 -19.828  -1.511  -1.655
   14   2HG1  VAL   2          2HG1      VAL   2 -21.521  -1.994  -1.780
   15   3HG1  VAL   2          3HG1      VAL   2 -20.364  -2.500  -3.013
   16   1HG2  VAL   2          1HG2      VAL   2 -21.778   0.802  -1.612
   17   2HG2  VAL   2          2HG2      VAL   2 -22.453   1.069  -3.219
   18   3HG2  VAL   2          3HG2      VAL   2 -22.909  -0.365  -2.299
   19    H    ALA   3           H        ALA   3 -19.525  -0.530  -5.564
   20    HA   ALA   3           HA       ALA   3 -17.526  -2.450  -5.225
   21   1HB   ALA   3          1HB       ALA   3 -19.208  -1.932  -7.206
   22   2HB   ALA   3          2HB       ALA   3 -17.785  -1.129  -7.871
   23   3HB   ALA   3          3HB       ALA   3 -17.720  -2.843  -7.461
   24    H    GLN   4           H        GLN   4 -17.320   0.977  -5.812
   25    HA   GLN   4           HA       GLN   4 -14.595   1.009  -6.646
   26   1HB   GLN   4          1HB       GLN   4 -16.503   2.809  -6.885
   27   2HB   GLN   4          2HB       GLN   4 -15.881   3.369  -5.339
   28   1HG   GLN   4          1HG       GLN   4 -13.995   4.193  -6.241
   29   2HG   GLN   4          2HG       GLN   4 -13.859   2.887  -7.417
   30   1HE2  GLN   4          2HE2      GLN   4 -16.118   3.019  -8.831
   31   2HE2  GLN   4          1HE2      GLN   4 -16.264   4.541  -9.634
   32    H    LEU   5           H        LEU   5 -16.006   0.417  -3.651
   33    HA   LEU   5           HA       LEU   5 -13.641   1.393  -2.203
   34   1HB   LEU   5          1HB       LEU   5 -16.205   0.434  -0.958
   35   2HB   LEU   5          2HB       LEU   5 -14.935   1.388  -0.217
   36    HG   LEU   5           HG       LEU   5 -16.558   2.457  -2.509
   37   1HD1  LEU   5          1HD1      LEU   5 -17.335   2.106   0.319
   38   2HD1  LEU   5          2HD1      LEU   5 -17.667   3.680  -0.404
   39   3HD1  LEU   5          3HD1      LEU   5 -18.333   2.218  -1.130
   40   1HD2  LEU   5          1HD2      LEU   5 -14.747   3.602  -0.414
   41   2HD2  LEU   5          2HD2      LEU   5 -14.685   3.794  -2.166
   42   3HD2  LEU   5          3HD2      LEU   5 -15.944   4.605  -1.234
   43    H    GLU   6           H        GLU   6 -15.551  -1.446  -2.938
   44    HA   GLU   6           HA       GLU   6 -14.202  -3.179  -1.109
   45   1HB   GLU   6          1HB       GLU   6 -15.729  -3.986  -3.584
   46   2HB   GLU   6          2HB       GLU   6 -15.414  -4.962  -2.156
   47   1HG   GLU   6          1HG       GLU   6 -16.987  -3.852  -0.885
   48   2HG   GLU   6          2HG       GLU   6 -16.954  -2.418  -1.911
   49    H    LYS   7           H        LYS   7 -14.108  -2.916  -4.667
   50    HA   LYS   7           HA       LYS   7 -11.957  -4.689  -5.023
   51   1HB   LYS   7          1HB       LYS   7 -12.648  -2.372  -6.832
   52   2HB   LYS   7          2HB       LYS   7 -11.840  -3.870  -7.275
   53   1HG   LYS   7          1HG       LYS   7 -14.056  -4.969  -6.432
   54   2HG   LYS   7          2HG       LYS   7 -14.721  -3.360  -6.723
   55   1HD   LYS   7          1HD       LYS   7 -13.164  -4.932  -8.770
   56   2HD   LYS   7          2HD       LYS   7 -14.925  -4.943  -8.653
   57   1HE   LYS   7          1HE       LYS   7 -13.334  -2.410  -8.955
   58   2HE   LYS   7          2HE       LYS   7 -13.904  -3.344 -10.339
   59   1HZ   LYS   7          1HZ       LYS   7 -16.151  -3.119  -8.939
   60   2HZ   LYS   7          2HZ       LYS   7 -15.395  -1.677  -8.486
   61   3HZ   LYS   7          3HZ       LYS   7 -15.681  -2.005 -10.121
   62    H    GLU   8           H        GLU   8 -12.076  -1.307  -4.203
   63    HA   GLU   8           HA       GLU   8  -9.486  -0.535  -4.897
   64   1HB   GLU   8          1HB       GLU   8 -11.417   0.907  -4.064
   65   2HB   GLU   8          2HB       GLU   8 -10.922   0.447  -2.441
   66   1HG   GLU   8          1HG       GLU   8  -8.767   1.460  -2.756
   67   2HG   GLU   8          2HG       GLU   8  -9.131   1.795  -4.448
   68    H    VAL   9           H        VAL   9 -10.635  -2.532  -2.309
   69    HA   VAL   9           HA       VAL   9  -8.315  -2.289  -0.651
   70    HB   VAL   9           HB       VAL   9 -10.466  -4.413  -0.688
   71   1HG1  VAL   9          1HG1      VAL   9  -8.399  -5.224   0.347
   72   2HG1  VAL   9          2HG1      VAL   9  -8.386  -3.823   1.419
   73   3HG1  VAL   9          3HG1      VAL   9  -9.681  -5.015   1.539
   74   1HG2  VAL   9          1HG2      VAL   9 -11.323  -2.184  -0.194
   75   2HG2  VAL   9          2HG2      VAL   9 -11.370  -3.208   1.241
   76   3HG2  VAL   9          3HG2      VAL   9 -10.109  -1.987   1.069
   77    H    ALA  10           H        ALA  10  -9.560  -5.028  -2.579
   78    HA   ALA  10           HA       ALA  10  -7.341  -6.666  -2.411
   79   1HB   ALA  10          1HB       ALA  10  -9.731  -6.906  -3.592
   80   2HB   ALA  10          2HB       ALA  10  -8.732  -6.629  -5.019
   81   3HB   ALA  10          3HB       ALA  10  -8.375  -7.978  -3.940
   82    H    GLN  11           H        GLN  11  -7.803  -3.785  -4.281
   83    HA   GLN  11           HA       GLN  11  -5.770  -4.192  -6.203
   84   1HB   GLN  11          1HB       GLN  11  -7.483  -2.519  -6.553
   85   2HB   GLN  11          2HB       GLN  11  -6.993  -1.656  -5.103
   86   1HG   GLN  11          1HG       GLN  11  -5.660  -0.411  -6.349
   87   2HG   GLN  11          2HG       GLN  11  -4.696  -1.846  -6.697
   88   1HE2  GLN  11          2HE2      GLN  11  -6.560  -3.259  -8.221
   89   2HE2  GLN  11          1HE2      GLN  11  -6.793  -2.426  -9.716
   90    H    LEU  12           H        LEU  12  -5.785  -2.306  -3.168
   91    HA   LEU  12           HA       LEU  12  -2.953  -1.848  -3.302
   92   1HB   LEU  12          1HB       LEU  12  -4.837  -1.434  -0.980
   93   2HB   LEU  12          2HB       LEU  12  -3.215  -0.784  -1.130
   94    HG   LEU  12           HG       LEU  12  -5.428  -0.082  -3.051
   95   1HD1  LEU  12          1HD1      LEU  12  -4.587   1.310  -0.516
   96   2HD1  LEU  12          2HD1      LEU  12  -5.594   2.036  -1.766
   97   3HD1  LEU  12          3HD1      LEU  12  -6.168   0.623  -0.882
   98   1HD2  LEU  12          1HD2      LEU  12  -2.678   0.985  -2.479
   99   2HD2  LEU  12          2HD2      LEU  12  -3.342   0.412  -4.010
  100   3HD2  LEU  12          3HD2      LEU  12  -3.898   1.938  -3.324
  101    H    GLU  13           H        GLU  13  -5.074  -4.148  -1.737
  102    HA   GLU  13           HA       GLU  13  -3.311  -5.156   0.187
  103   1HB   GLU  13          1HB       GLU  13  -5.763  -6.121  -1.161
  104   2HB   GLU  13          2HB       GLU  13  -4.747  -7.356  -0.430
  105   1HG   GLU  13          1HG       GLU  13  -4.848  -6.135   1.706
  106   2HG   GLU  13          2HG       GLU  13  -5.933  -4.965   0.958
  107    H    ALA  14           H        ALA  14  -3.405  -5.575  -3.246
  108    HA   ALA  14           HA       ALA  14  -1.632  -7.881  -3.186
  109   1HB   ALA  14          1HB       ALA  14  -3.433  -7.811  -4.840
  110   2HB   ALA  14          2HB       ALA  14  -2.739  -6.346  -5.534
  111   3HB   ALA  14          3HB       ALA  14  -1.848  -7.867  -5.614
  112    H    GLU  15           H        GLU  15  -1.546  -4.447  -3.963
  113    HA   GLU  15           HA       GLU  15   1.210  -4.572  -4.846
  114   1HB   GLU  15          1HB       GLU  15  -0.644  -2.985  -5.717
  115   2HB   GLU  15          2HB       GLU  15  -0.303  -2.040  -4.273
  116   1HG   GLU  15          1HG       GLU  15   0.937  -1.111  -6.075
  117   2HG   GLU  15          2HG       GLU  15   2.073  -1.916  -4.993
  118    H    ASN  16           H        ASN  16  -0.555  -2.971  -2.194
  119    HA   ASN  16           HA       ASN  16   1.549  -1.871  -0.816
  120   1HB   ASN  16          1HB       ASN  16  -0.789  -1.502  -0.206
  121   2HB   ASN  16          2HB       ASN  16  -0.930  -3.170   0.339
  122   1HD2  ASN  16          2HD2      ASN  16  -1.587  -2.315   2.368
  123   2HD2  ASN  16          1HD2      ASN  16  -0.416  -1.728   3.495
  124    H    TYR  17           H        TYR  17   0.541  -5.223  -0.911
  125    HA   TYR  17           HA       TYR  17   2.225  -6.055   1.258
  126   1HB   TYR  17          1HB       TYR  17   0.253  -7.350   0.812
  127   2HB   TYR  17          2HB       TYR  17   0.722  -7.590  -0.867
  128    HD1  TYR  17           HD1      TYR  17   2.369  -8.106   2.458
  129    HD2  TYR  17           HD2      TYR  17   1.338  -9.756  -1.325
  130    HE1  TYR  17           HE1      TYR  17   3.486 -10.207   3.076
  131    HE2  TYR  17           HE2      TYR  17   2.450 -11.862  -0.718
  132    HH   TYR  17           HH       TYR  17   4.579 -12.308   1.287
  133    H    GLN  18           H        GLN  18   2.474  -5.967  -2.252
  134    HA   GLN  18           HA       GLN  18   4.753  -7.554  -2.565
  135   1HB   GLN  18          1HB       GLN  18   3.250  -6.697  -4.394
  136   2HB   GLN  18          2HB       GLN  18   4.048  -5.138  -4.234
  137   1HG   GLN  18          1HG       GLN  18   5.465  -5.864  -5.778
  138   2HG   GLN  18          2HG       GLN  18   6.152  -6.883  -4.514
  139   1HE2  GLN  18          2HE2      GLN  18   6.405  -7.645  -7.093
  140   2HE2  GLN  18          1HE2      GLN  18   5.401  -9.013  -7.419
  141    H    LEU  19           H        LEU  19   4.403  -4.244  -1.518
  142    HA   LEU  19           HA       LEU  19   7.271  -3.763  -1.697
  143   1HB   LEU  19          1HB       LEU  19   4.964  -2.019  -0.864
  144   2HB   LEU  19          2HB       LEU  19   6.636  -1.503  -0.787
  145    HG   LEU  19           HG       LEU  19   5.049  -2.176  -3.261
  146   1HD1  LEU  19          1HD1      LEU  19   4.762   0.067  -2.168
  147   2HD1  LEU  19          2HD1      LEU  19   6.464   0.369  -2.508
  148   3HD1  LEU  19          3HD1      LEU  19   5.333   0.108  -3.836
  149   1HD2  LEU  19          1HD2      LEU  19   7.998  -1.761  -2.876
  150   2HD2  LEU  19          2HD2      LEU  19   7.166  -3.051  -3.745
  151   3HD2  LEU  19          3HD2      LEU  19   7.204  -1.419  -4.414
  152    H    GLU  20           H        GLU  20   4.749  -3.646   0.824
  153    HA   GLU  20           HA       GLU  20   6.292  -3.180   3.035
  154   1HB   GLU  20          1HB       GLU  20   3.692  -3.740   2.666
  155   2HB   GLU  20          2HB       GLU  20   4.215  -5.270   3.355
  156   1HG   GLU  20          1HG       GLU  20   5.026  -2.764   4.723
  157   2HG   GLU  20          2HG       GLU  20   3.348  -3.290   4.858
  158    H    GLN  21           H        GLN  21   6.100  -6.112   1.170
  159    HA   GLN  21           HA       GLN  21   7.562  -7.635   3.176
  160   1HB   GLN  21          1HB       GLN  21   5.740  -8.287   1.119
  161   2HB   GLN  21          2HB       GLN  21   7.272  -9.028   0.679
  162   1HG   GLN  21          1HG       GLN  21   6.312  -9.351   3.469
  163   2HG   GLN  21          2HG       GLN  21   5.508 -10.265   2.194
  164   1HE2  GLN  21          2HE2      GLN  21   7.122 -11.339   0.643
  165   2HE2  GLN  21          1HE2      GLN  21   8.435 -12.174   1.393
  166    H    GLU  22           H        GLU  22   8.134  -5.901   0.227
  167    HA   GLU  22           HA       GLU  22  10.744  -7.127  -0.171
  168   1HB   GLU  22          1HB       GLU  22   9.098  -5.131  -1.691
  169   2HB   GLU  22          2HB       GLU  22  10.814  -5.302  -2.032
  170   1HG   GLU  22          1HG       GLU  22  10.370  -7.765  -2.368
  171   2HG   GLU  22          2HG       GLU  22   8.653  -7.363  -2.329
  172    H    VAL  23           H        VAL  23   9.348  -4.123   0.976
  173    HA   VAL  23           HA       VAL  23  11.711  -2.591   1.064
  174    HB   VAL  23           HB       VAL  23   9.340  -2.317   2.912
  175   1HG1  VAL  23          1HG1      VAL  23  11.726  -0.967   2.915
  176   2HG1  VAL  23          2HG1      VAL  23  10.691   0.085   1.948
  177   3HG1  VAL  23          3HG1      VAL  23  10.208  -0.368   3.582
  178   1HG2  VAL  23          1HG2      VAL  23   9.233  -2.270   0.154
  179   2HG2  VAL  23          2HG2      VAL  23   8.068  -1.530   1.252
  180   3HG2  VAL  23          3HG2      VAL  23   9.386  -0.567   0.587
  181    H    ALA  24           H        ALA  24  10.385  -5.003   3.198
  182    HA   ALA  24           HA       ALA  24  11.755  -4.403   5.557
  183   1HB   ALA  24          1HB       ALA  24  10.670  -6.950   4.412
  184   2HB   ALA  24          2HB       ALA  24  11.543  -6.939   5.944
  185   3HB   ALA  24          3HB       ALA  24  10.067  -5.991   5.763
  186    H    GLN  25           H        GLN  25  12.845  -5.885   2.602
  187    HA   GLN  25           HA       GLN  25  15.387  -6.646   3.842
  188   1HB   GLN  25          1HB       GLN  25  14.159  -7.283   1.160
  189   2HB   GLN  25          2HB       GLN  25  15.819  -7.693   1.570
  190   1HG   GLN  25          1HG       GLN  25  14.776  -9.649   2.084
  191   2HG   GLN  25          2HG       GLN  25  14.693  -8.833   3.645
  192   1HE2  GLN  25          2HE2      GLN  25  12.949 -10.302   1.156
  193   2HE2  GLN  25          1HE2      GLN  25  11.358  -9.914   1.705
  194    H    LEU  26           H        LEU  26  13.985  -4.402   1.564
  195    HA   LEU  26           HA       LEU  26  16.265  -3.524   0.231
  196   1HB   LEU  26          1HB       LEU  26  13.762  -2.050   1.037
  197   2HB   LEU  26          2HB       LEU  26  15.000  -1.344   0.015
  198    HG   LEU  26           HG       LEU  26  13.569  -3.899  -0.691
  199   1HD1  LEU  26          1HD1      LEU  26  12.314  -1.487  -0.480
  200   2HD1  LEU  26          2HD1      LEU  26  12.847  -1.477  -2.162
  201   3HD1  LEU  26          3HD1      LEU  26  11.834  -2.790  -1.566
  202   1HD2  LEU  26          1HD2      LEU  26  15.800  -3.329  -1.731
  203   2HD2  LEU  26          2HD2      LEU  26  14.464  -3.586  -2.854
  204   3HD2  LEU  26          3HD2      LEU  26  14.998  -1.948  -2.476
  205    H    GLU  27           H        GLU  27  14.772  -2.128   3.154
  206    HA   GLU  27           HA       GLU  27  17.161  -0.539   3.632
  207   1HB   GLU  27          1HB       GLU  27  15.849   0.412   5.515
  208   2HB   GLU  27          2HB       GLU  27  15.046   0.574   3.960
  209   1HG   GLU  27          1HG       GLU  27  13.498  -1.123   4.465
  210   2HG   GLU  27          2HG       GLU  27  14.435  -1.669   5.854
  211    H    HIS  28           H        HIS  28  18.097  -2.932   3.824
  212    HA   HIS  28           HA       HIS  28  17.801  -4.028   6.493
  213   1HB   HIS  28          1HB       HIS  28  18.064  -5.448   4.414
  214   2HB   HIS  28          2HB       HIS  28  19.737  -4.907   4.347
  215    HD1  HIS  28           HD1      HIS  28  17.508  -6.495   7.026
  216    HD2  HIS  28           HD2      HIS  28  21.368  -6.672   5.502
  217    HE1  HIS  28           HE1      HIS  28  18.703  -8.304   8.329
  218    H    GLU  29           H        GLU  29  20.387  -2.575   4.533
  219    HA   GLU  29           HA       GLU  29  22.260  -2.560   6.700
  220   1HB   GLU  29          1HB       GLU  29  22.320  -1.085   4.064
  221   2HB   GLU  29          2HB       GLU  29  23.671  -1.235   5.178
  222   1HG   GLU  29          1HG       GLU  29  24.272  -3.081   4.127
  223   2HG   GLU  29          2HG       GLU  29  22.786  -3.847   4.688
  224    H    GLY  30           H        GLY  30  20.714   0.106   4.893
  225   1HA   GLY  30          1HA       GLY  30  21.331   1.962   7.029
  226   2HA   GLY  30          2HA       GLY  30  20.518   2.340   5.517
  227   1HN   NH2  31          1HN       NH2  31  18.327   0.891   5.458
  228   2HN   NH2  31          2HN       NH2  31  17.307   1.194   6.819
  229   1H    ACE   0          1H        ACE   0 -16.876  -4.335   5.336
  230   2H    ACE   0          2H        ACE   0 -16.890  -5.502   4.015
  231   3H    ACE   0          3H        ACE   0 -18.179  -5.518   5.219
  232    H    GLU   1           H        GLU   1 -19.133  -3.113   5.441
  233    HA   GLU   1           HA       GLU   1 -20.326  -2.577   2.888
  234   1HB   GLU   1          1HB       GLU   1 -21.556  -0.779   4.197
  235   2HB   GLU   1          2HB       GLU   1 -21.804  -2.435   4.731
  236   1HG   GLU   1          1HG       GLU   1 -19.605  -0.990   6.042
  237   2HG   GLU   1          2HG       GLU   1 -21.228  -0.386   6.370
  238    H    VAL   2           H        VAL   2 -20.763   0.043   2.721
  239    HA   VAL   2           HA       VAL   2 -18.753   1.127   1.325
  240    HB   VAL   2           HB       VAL   2 -20.510   2.741   3.166
  241   1HG1  VAL   2          1HG1      VAL   2 -18.417   3.600   1.590
  242   2HG1  VAL   2          2HG1      VAL   2 -19.833   3.874   0.575
  243   3HG1  VAL   2          3HG1      VAL   2 -19.748   4.594   2.182
  244   1HG2  VAL   2          1HG2      VAL   2 -21.045   1.286   0.654
  245   2HG2  VAL   2          2HG2      VAL   2 -22.130   1.699   1.982
  246   3HG2  VAL   2          3HG2      VAL   2 -21.711   2.915   0.775
  247    H    GLN   3           H        GLN   3 -19.230   2.622   4.475
  248    HA   GLN   3           HA       GLN   3 -16.634   3.591   4.696
  249   1HB   GLN   3          1HB       GLN   3 -18.799   3.084   6.715
  250   2HB   GLN   3          2HB       GLN   3 -17.226   3.690   7.213
  251   1HG   GLN   3          1HG       GLN   3 -17.596   5.524   5.464
  252   2HG   GLN   3          2HG       GLN   3 -19.282   5.007   5.481
  253   1HE2  GLN   3          2HE2      GLN   3 -17.697   7.448   6.442
  254   2HE2  GLN   3          1HE2      GLN   3 -18.307   7.717   8.036
  255    H    ALA   4           H        ALA   4 -18.060   0.626   6.006
  256    HA   ALA   4           HA       ALA   4 -15.954  -0.237   7.584
  257   1HB   ALA   4          1HB       ALA   4 -18.236  -1.278   7.377
  258   2HB   ALA   4          2HB       ALA   4 -17.640  -2.093   5.933
  259   3HB   ALA   4          3HB       ALA   4 -16.886  -2.407   7.494
  260    H    LEU   5           H        LEU   5 -16.208  -0.222   4.108
  261    HA   LEU   5           HA       LEU   5 -13.662  -1.706   3.941
  262   1HB   LEU   5          1HB       LEU   5 -16.024  -1.500   2.160
  263   2HB   LEU   5          2HB       LEU   5 -14.460  -1.635   1.388
  264    HG   LEU   5           HG       LEU   5 -15.569  -3.603   3.390
  265   1HD1  LEU   5          1HD1      LEU   5 -16.622  -3.360   1.009
  266   2HD1  LEU   5          2HD1      LEU   5 -15.160  -4.206   0.500
  267   3HD1  LEU   5          3HD1      LEU   5 -16.253  -4.955   1.666
  268   1HD2  LEU   5          1HD2      LEU   5 -12.929  -3.140   2.473
  269   2HD2  LEU   5          2HD2      LEU   5 -13.520  -4.446   3.498
  270   3HD2  LEU   5          3HD2      LEU   5 -13.492  -4.645   1.747
  271    H    LYS   6           H        LYS   6 -15.457   1.015   2.679
  272    HA   LYS   6           HA       LYS   6 -13.671   2.269   1.045
  273   1HB   LYS   6          1HB       LYS   6 -15.883   3.106   1.249
  274   2HB   LYS   6          2HB       LYS   6 -15.713   3.319   2.983
  275   1HG   LYS   6          1HG       LYS   6 -14.521   5.281   2.761
  276   2HG   LYS   6          2HG       LYS   6 -13.970   4.884   1.132
  277   1HD   LYS   6          1HD       LYS   6 -15.551   6.445   0.616
  278   2HD   LYS   6          2HD       LYS   6 -16.568   5.003   0.625
  279   1HE   LYS   6          1HE       LYS   6 -17.701   5.665   2.450
  280   2HE   LYS   6          2HE       LYS   6 -16.252   6.283   3.244
  281   1HZ   LYS   6          1HZ       LYS   6 -17.427   7.740   0.969
  282   2HZ   LYS   6          2HZ       LYS   6 -18.082   7.920   2.517
  283   3HZ   LYS   6          3HZ       LYS   6 -16.466   8.327   2.230
  284    H    LYS   7           H        LYS   7 -13.800   2.358   4.575
  285    HA   LYS   7           HA       LYS   7 -11.651   4.265   4.778
  286   1HB   LYS   7          1HB       LYS   7 -13.296   2.702   6.735
  287   2HB   LYS   7          2HB       LYS   7 -11.829   3.512   7.270
  288   1HG   LYS   7          1HG       LYS   7 -12.797   5.520   7.244
  289   2HG   LYS   7          2HG       LYS   7 -13.565   5.230   5.683
  290   1HD   LYS   7          1HD       LYS   7 -15.393   5.416   7.085
  291   2HD   LYS   7          2HD       LYS   7 -15.139   3.672   7.050
  292   1HE   LYS   7          1HE       LYS   7 -14.009   3.730   9.163
  293   2HE   LYS   7          2HE       LYS   7 -14.026   5.493   9.175
  294   1HZ   LYS   7          1HZ       LYS   7 -16.593   5.107   9.009
  295   2HZ   LYS   7          2HZ       LYS   7 -16.210   3.609   9.696
  296   3HZ   LYS   7          3HZ       LYS   7 -15.805   5.040  10.504
  297    H    ARG   8           H        ARG   8 -12.037   0.776   5.286
  298    HA   ARG   8           HA       ARG   8  -9.552   0.201   6.357
  299   1HB   ARG   8          1HB       ARG   8  -9.967  -2.034   5.872
  300   2HB   ARG   8          2HB       ARG   8 -11.579  -1.342   5.945
  301   1HG   ARG   8          1HG       ARG   8 -11.993  -2.168   3.936
  302   2HG   ARG   8          2HG       ARG   8 -10.739  -1.129   3.264
  303   1HD   ARG   8          1HD       ARG   8  -9.598  -2.961   2.737
  304   2HD   ARG   8          2HD       ARG   8  -9.379  -3.262   4.459
  305    HE   ARG   8           HE       ARG   8 -11.236  -4.586   2.671
  306   1HH1  ARG   8          1HH1      ARG   8 -10.308  -3.976   5.983
  307   2HH1  ARG   8          2HH1      ARG   8 -11.120  -5.375   6.597
  308   1HH2  ARG   8          1HH2      ARG   8 -12.304  -6.425   3.481
  309   2HH2  ARG   8          2HH2      ARG   8 -12.252  -6.764   5.179
  310    H    VAL   9           H        VAL   9 -10.360   1.086   3.105
  311    HA   VAL   9           HA       VAL   9  -8.152   0.035   1.737
  312    HB   VAL   9           HB       VAL   9  -9.642   2.597   1.144
  313   1HG1  VAL   9          1HG1      VAL   9  -7.398   2.256   0.012
  314   2HG1  VAL   9          2HG1      VAL   9  -8.129   0.874  -0.803
  315   3HG1  VAL   9          3HG1      VAL   9  -8.782   2.493  -1.053
  316   1HG2  VAL   9          1HG2      VAL   9 -10.750   0.144   1.272
  317   2HG2  VAL   9          2HG2      VAL   9 -11.285   1.405   0.160
  318   3HG2  VAL   9          3HG2      VAL   9 -10.183   0.146  -0.397
  319    H    GLN  10           H        GLN  10  -8.577   3.119   3.432
  320    HA   GLN  10           HA       GLN  10  -6.184   4.339   2.725
  321   1HB   GLN  10          1HB       GLN  10  -6.489   5.776   4.606
  322   2HB   GLN  10          2HB       GLN  10  -8.085   5.393   3.978
  323   1HG   GLN  10          1HG       GLN  10  -8.668   4.828   6.035
  324   2HG   GLN  10          2HG       GLN  10  -7.597   3.435   5.888
  325   1HE2  GLN  10          2HE2      GLN  10  -6.987   6.910   6.245
  326   2HE2  GLN  10          1HE2      GLN  10  -6.009   6.768   7.663
  327    H    ALA  11           H        ALA  11  -6.743   1.662   4.829
  328    HA   ALA  11           HA       ALA  11  -4.254   1.911   6.255
  329   1HB   ALA  11          1HB       ALA  11  -6.516   0.751   6.954
  330   2HB   ALA  11          2HB       ALA  11  -5.758  -0.651   6.200
  331   3HB   ALA  11          3HB       ALA  11  -4.961   0.166   7.544
  332    H    LEU  12           H        LEU  12  -4.835   1.133   3.130
  333    HA   LEU  12           HA       LEU  12  -2.695  -0.888   3.050
  334   1HB   LEU  12          1HB       LEU  12  -4.390  -0.376   0.664
  335   2HB   LEU  12          2HB       LEU  12  -3.648  -1.865   1.205
  336    HG   LEU  12           HG       LEU  12  -5.942  -0.701   2.742
  337   1HD1  LEU  12          1HD1      LEU  12  -6.145  -2.418   0.273
  338   2HD1  LEU  12          2HD1      LEU  12  -7.471  -2.049   1.375
  339   3HD1  LEU  12          3HD1      LEU  12  -6.712  -0.756   0.447
  340   1HD2  LEU  12          1HD2      LEU  12  -4.517  -3.289   2.531
  341   2HD2  LEU  12          2HD2      LEU  12  -5.203  -2.482   3.941
  342   3HD2  LEU  12          3HD2      LEU  12  -6.256  -3.345   2.818
  343    H    LYS  13           H        LYS  13  -3.994   1.895   1.262
  344    HA   LYS  13           HA       LYS  13  -1.597   2.237  -0.269
  345   1HB   LYS  13          1HB       LYS  13  -2.703   4.344  -1.037
  346   2HB   LYS  13          2HB       LYS  13  -3.649   2.887  -1.297
  347   1HG   LYS  13          1HG       LYS  13  -5.298   4.146  -0.431
  348   2HG   LYS  13          2HG       LYS  13  -4.604   3.623   1.103
  349   1HD   LYS  13          1HD       LYS  13  -4.022   5.705   1.631
  350   2HD   LYS  13          2HD       LYS  13  -3.210   5.924   0.081
  351   1HE   LYS  13          1HE       LYS  13  -6.095   5.960  -0.194
  352   2HE   LYS  13          2HE       LYS  13  -5.530   7.187   0.939
  353   1HZ   LYS  13          1HZ       LYS  13  -3.980   7.961  -0.778
  354   2HZ   LYS  13          2HZ       LYS  13  -4.615   6.828  -1.863
  355   3HZ   LYS  13          3HZ       LYS  13  -5.591   8.079  -1.279
  356    H    ALA  14           H        ALA  14  -2.784   3.461   2.758
  357    HA   ALA  14           HA       ALA  14  -1.402   5.841   3.016
  358   1HB   ALA  14          1HB       ALA  14  -2.207   3.761   5.014
  359   2HB   ALA  14          2HB       ALA  14  -1.298   5.189   5.509
  360   3HB   ALA  14          3HB       ALA  14  -2.878   5.370   4.747
  361    H    ARG  15           H        ARG  15  -0.265   2.581   3.879
  362    HA   ARG  15           HA       ARG  15   2.403   3.546   4.412
  363   1HB   ARG  15          1HB       ARG  15   1.044   1.482   5.428
  364   2HB   ARG  15          2HB       ARG  15   1.841   0.639   4.106
  365   1HG   ARG  15          1HG       ARG  15   3.236   0.364   5.972
  366   2HG   ARG  15          2HG       ARG  15   4.012   1.597   4.978
  367   1HD   ARG  15          1HD       ARG  15   4.071   2.883   6.793
  368   2HD   ARG  15          2HD       ARG  15   2.319   3.022   6.657
  369    HE   ARG  15           HE       ARG  15   2.792   0.673   8.021
  370   1HH1  ARG  15          1HH1      ARG  15   3.480   4.063   8.493
  371   2HH1  ARG  15          2HH1      ARG  15   3.448   3.956  10.221
  372   1HH2  ARG  15          1HH2      ARG  15   2.749   0.533  10.294
  373   2HH2  ARG  15          2HH2      ARG  15   3.033   1.953  11.244
  374    H    ASN  16           H        ASN  16   0.844   1.470   1.989
  375    HA   ASN  16           HA       ASN  16   3.025   0.790   0.451
  376   1HB   ASN  16          1HB       ASN  16   0.869  -0.180   0.017
  377   2HB   ASN  16          2HB       ASN  16   0.185   1.386  -0.396
  378   1HD2  ASN  16          2HD2      ASN  16  -0.464   0.198  -2.338
  379   2HD2  ASN  16          1HD2      ASN  16   0.648   0.097  -3.656
  380    H    TYR  17           H        TYR  17   0.992   3.699   0.143
  381    HA   TYR  17           HA       TYR  17   2.216   4.828  -2.072
  382   1HB   TYR  17          1HB       TYR  17   0.172   5.757  -1.155
  383   2HB   TYR  17          2HB       TYR  17   1.001   6.201   0.334
  384    HD1  TYR  17           HD1      TYR  17   1.228   6.802  -3.349
  385    HD2  TYR  17           HD2      TYR  17   1.727   8.382   0.570
  386    HE1  TYR  17           HE1      TYR  17   1.766   9.001  -4.310
  387    HE2  TYR  17           HE2      TYR  17   2.266  10.585  -0.380
  388    HH   TYR  17           HH       TYR  17   3.238  11.411  -2.678
  389    H    ALA  18           H        ALA  18   3.233   4.791   1.280
  390    HA   ALA  18           HA       ALA  18   5.329   6.711   0.949
  391   1HB   ALA  18          1HB       ALA  18   4.366   4.948   3.117
  392   2HB   ALA  18          2HB       ALA  18   6.062   5.427   3.184
  393   3HB   ALA  18          3HB       ALA  18   4.799   6.658   3.150
  394    H    LEU  19           H        LEU  19   5.252   3.157   1.238
  395    HA   LEU  19           HA       LEU  19   8.023   2.784   0.926
  396   1HB   LEU  19          1HB       LEU  19   6.172   0.726  -0.158
  397   2HB   LEU  19          2HB       LEU  19   7.607   0.531   0.826
  398    HG   LEU  19           HG       LEU  19   4.836   1.266   1.735
  399   1HD1  LEU  19          1HD1      LEU  19   5.588  -1.144   1.369
  400   2HD1  LEU  19          2HD1      LEU  19   6.636  -0.899   2.767
  401   3HD1  LEU  19          3HD1      LEU  19   4.889  -0.737   2.937
  402   1HD2  LEU  19          1HD2      LEU  19   7.403   1.984   2.916
  403   2HD2  LEU  19          2HD2      LEU  19   5.780   2.561   3.294
  404   3HD2  LEU  19          3HD2      LEU  19   6.371   1.061   4.008
  405    H    LYS  20           H        LYS  20   5.390   2.462  -1.445
  406    HA   LYS  20           HA       LYS  20   6.730   1.879  -3.731
  407   1HB   LYS  20          1HB       LYS  20   4.196   2.635  -3.169
  408   2HB   LYS  20          2HB       LYS  20   4.758   4.056  -4.037
  409   1HG   LYS  20          1HG       LYS  20   4.844   2.983  -6.015
  410   2HG   LYS  20          2HG       LYS  20   5.380   1.466  -5.292
  411   1HD   LYS  20          1HD       LYS  20   3.212   1.051  -6.131
  412   2HD   LYS  20          2HD       LYS  20   3.027   1.226  -4.385
  413   1HE   LYS  20          1HE       LYS  20   2.566   3.443  -6.374
  414   2HE   LYS  20          2HE       LYS  20   1.292   2.413  -5.722
  415   1HZ   LYS  20          1HZ       LYS  20   2.302   3.201  -3.462
  416   2HZ   LYS  20          2HZ       LYS  20   2.852   4.507  -4.389
  417   3HZ   LYS  20          3HZ       LYS  20   1.197   4.173  -4.295
  418    H    GLN  21           H        GLN  21   6.771   4.914  -2.026
  419    HA   GLN  21           HA       GLN  21   8.082   6.317  -4.190
  420   1HB   GLN  21          1HB       GLN  21   6.480   7.506  -2.788
  421   2HB   GLN  21          2HB       GLN  21   7.452   7.172  -1.363
  422   1HG   GLN  21          1HG       GLN  21   8.197   9.258  -1.764
  423   2HG   GLN  21          2HG       GLN  21   9.296   8.405  -2.846
  424   1HE2  GLN  21          2HE2      GLN  21   9.377   9.069  -4.870
  425   2HE2  GLN  21          1HE2      GLN  21   8.191  10.038  -5.669
  426    H    LYS  22           H        LYS  22   8.940   5.016  -1.012
  427    HA   LYS  22           HA       LYS  22  11.690   5.900  -1.319
  428   1HB   LYS  22          1HB       LYS  22  12.013   5.022   0.944
  429   2HB   LYS  22          2HB       LYS  22  10.643   6.121   0.863
  430   1HG   LYS  22          1HG       LYS  22   9.299   4.570   1.683
  431   2HG   LYS  22          2HG       LYS  22   9.735   3.460   0.384
  432   1HD   LYS  22          1HD       LYS  22  10.272   2.364   2.418
  433   2HD   LYS  22          2HD       LYS  22  11.800   2.894   1.714
  434   1HE   LYS  22          1HE       LYS  22  12.113   3.592   3.863
  435   2HE   LYS  22          2HE       LYS  22  11.332   5.028   3.199
  436   1HZ   LYS  22          1HZ       LYS  22   9.183   3.881   3.986
  437   2HZ   LYS  22          2HZ       LYS  22  10.205   2.962   4.971
  438   3HZ   LYS  22          3HZ       LYS  22  10.161   4.646   5.134
  439    H    VAL  23           H        VAL  23  10.012   3.238  -2.419
  440    HA   VAL  23           HA       VAL  23  11.457   1.005  -1.778
  441    HB   VAL  23           HB       VAL  23  10.632   1.608  -4.619
  442   1HG1  VAL  23          1HG1      VAL  23  12.034  -0.487  -3.803
  443   2HG1  VAL  23          2HG1      VAL  23  10.433  -1.074  -3.358
  444   3HG1  VAL  23          3HG1      VAL  23  10.777  -0.631  -5.030
  445   1HG2  VAL  23          1HG2      VAL  23   9.009   0.902  -2.217
  446   2HG2  VAL  23          2HG2      VAL  23   8.652   2.020  -3.533
  447   3HG2  VAL  23          3HG2      VAL  23   8.534   0.282  -3.799
  448    H    GLN  24           H        GLN  24  12.165   2.945  -4.691
  449    HA   GLN  24           HA       GLN  24  14.668   1.772  -5.178
  450   1HB   GLN  24          1HB       GLN  24  13.956   4.585  -5.981
  451   2HB   GLN  24          2HB       GLN  24  14.989   3.438  -6.824
  452   1HG   GLN  24          1HG       GLN  24  12.728   2.050  -6.899
  453   2HG   GLN  24          2HG       GLN  24  12.040   3.670  -6.786
  454   1HE2  GLN  24          2HE2      GLN  24  11.648   4.607  -8.648
  455   2HE2  GLN  24          1HE2      GLN  24  12.471   4.310 -10.137
  456    H    ALA  25           H        ALA  25  13.755   4.678  -3.385
  457    HA   ALA  25           HA       ALA  25  16.254   5.775  -2.921
  458   1HB   ALA  25          1HB       ALA  25  13.806   5.732  -1.168
  459   2HB   ALA  25          2HB       ALA  25  15.236   6.707  -0.828
  460   3HB   ALA  25          3HB       ALA  25  14.305   6.990  -2.299
  461    H    LEU  26           H        LEU  26  14.771   2.964  -1.493
  462    HA   LEU  26           HA       LEU  26  16.622   2.766   0.693
  463   1HB   LEU  26          1HB       LEU  26  14.597   0.863  -0.470
  464   2HB   LEU  26          2HB       LEU  26  15.631   0.434   0.880
  465    HG   LEU  26           HG       LEU  26  13.548   2.614   0.826
  466   1HD1  LEU  26          1HD1      LEU  26  13.735  -0.086   2.109
  467   2HD1  LEU  26          2HD1      LEU  26  12.696   1.176   2.772
  468   3HD1  LEU  26          3HD1      LEU  26  12.436   0.591   1.129
  469   1HD2  LEU  26          1HD2      LEU  26  15.811   2.092   2.657
  470   2HD2  LEU  26          2HD2      LEU  26  15.002   3.606   2.252
  471   3HD2  LEU  26          3HD2      LEU  26  14.259   2.487   3.395
  472    H    ARG  27           H        ARG  27  16.054   0.620  -2.109
  473    HA   ARG  27           HA       ARG  27  18.390  -0.865  -1.852
  474   1HB   ARG  27          1HB       ARG  27  18.088  -1.262  -4.373
  475   2HB   ARG  27          2HB       ARG  27  16.790  -1.763  -3.300
  476   1HG   ARG  27          1HG       ARG  27  16.174   0.866  -4.011
  477   2HG   ARG  27          2HG       ARG  27  16.746   0.098  -5.493
  478   1HD   ARG  27          1HD       ARG  27  15.165  -1.853  -4.658
  479   2HD   ARG  27          2HD       ARG  27  14.366  -0.523  -3.822
  480    HE   ARG  27           HE       ARG  27  13.591   0.243  -5.840
  481   1HH1  ARG  27          1HH1      ARG  27  16.090  -2.128  -6.402
  482   2HH1  ARG  27          2HH1      ARG  27  15.795  -2.220  -8.106
  483   1HH2  ARG  27          1HH2      ARG  27  13.200   0.123  -8.079
  484   2HH2  ARG  27          2HH2      ARG  27  14.154  -0.941  -9.059
  485    H    HIS  28           H        HIS  28  17.910   2.315  -3.160
  486    HA   HIS  28           HA       HIS  28  20.248   2.487  -4.731
  487   1HB   HIS  28          1HB       HIS  28  18.237   4.354  -3.669
  488   2HB   HIS  28          2HB       HIS  28  19.830   5.063  -3.907
  489    HD1  HIS  28           HD1      HIS  28  20.808   4.782  -6.443
  490    HD2  HIS  28           HD2      HIS  28  16.741   4.135  -5.901
  491    HE1  HIS  28           HE1      HIS  28  19.755   4.930  -8.737
  492    H    LYS  29           H        LYS  29  19.624   3.898  -1.511
  493    HA   LYS  29           HA       LYS  29  22.336   4.518  -1.016
  494   1HB   LYS  29          1HB       LYS  29  19.835   4.881   0.295
  495   2HB   LYS  29          2HB       LYS  29  20.944   4.157   1.451
  496   1HG   LYS  29          1HG       LYS  29  22.085   6.363  -0.101
  497   2HG   LYS  29          2HG       LYS  29  20.735   6.815   0.941
  498   1HD   LYS  29          1HD       LYS  29  22.438   7.042   2.440
  499   2HD   LYS  29          2HD       LYS  29  22.080   5.332   2.684
  500   1HE   LYS  29          1HE       LYS  29  23.932   5.681   0.505
  501   2HE   LYS  29          2HE       LYS  29  24.530   6.478   1.960
  502   1HZ   LYS  29          1HZ       LYS  29  23.718   4.161   2.972
  503   2HZ   LYS  29          2HZ       LYS  29  24.147   3.650   1.419
  504   3HZ   LYS  29          3HZ       LYS  29  25.289   4.420   2.399
  505    H    GLY  30           H        GLY  30  23.778   2.878  -1.127
  506   1HA   GLY  30          1HA       GLY  30  24.616   1.306   0.783
  507   2HA   GLY  30          2HA       GLY  30  23.196   0.386   0.309
  508   1HN   NH2  31          1HN       NH2  31  25.713  -0.716   0.212
  509   2HN   NH2  31          2HN       NH2  31  26.167  -0.977  -1.434
  Start of MODEL   26
    1   1H    ACE   0          1H        ACE   0 -23.450   5.507  -3.477
    2   2H    ACE   0          2H        ACE   0 -21.954   5.600  -2.548
    3   3H    ACE   0          3H        ACE   0 -23.393   4.870  -1.834
    4    H    GLU   1           H        GLU   1 -20.758   4.439  -4.085
    5    HA   GLU   1           HA       GLU   1 -21.583   1.840  -4.979
    6   1HB   GLU   1          1HB       GLU   1 -18.809   3.011  -5.160
    7   2HB   GLU   1          2HB       GLU   1 -19.523   1.768  -6.180
    8   1HG   GLU   1          1HG       GLU   1 -20.868   3.299  -7.311
    9   2HG   GLU   1          2HG       GLU   1 -20.671   4.531  -6.065
   10    H    VAL   2           H        VAL   2 -21.707   0.270  -3.493
   11    HA   VAL   2           HA       VAL   2 -19.910   0.107  -1.261
   12    HB   VAL   2           HB       VAL   2 -21.845  -2.006  -2.209
   13   1HG1  VAL   2          1HG1      VAL   2 -20.619  -1.448   0.490
   14   2HG1  VAL   2          2HG1      VAL   2 -21.832  -2.683   0.155
   15   3HG1  VAL   2          3HG1      VAL   2 -20.232  -2.797  -0.577
   16   1HG2  VAL   2          1HG2      VAL   2 -22.828   0.318  -1.837
   17   2HG2  VAL   2          2HG2      VAL   2 -23.553  -1.015  -0.938
   18   3HG2  VAL   2          3HG2      VAL   2 -22.434   0.084  -0.133
   19    H    ALA   3           H        ALA   3 -20.628  -2.217  -3.876
   20    HA   ALA   3           HA       ALA   3 -18.458  -3.897  -3.442
   21   1HB   ALA   3          1HB       ALA   3 -20.547  -4.090  -5.024
   22   2HB   ALA   3          2HB       ALA   3 -19.418  -3.465  -6.227
   23   3HB   ALA   3          3HB       ALA   3 -19.058  -4.968  -5.377
   24    H    GLN   4           H        GLN   4 -18.635  -0.842  -5.108
   25    HA   GLN   4           HA       GLN   4 -16.279  -0.996  -6.621
   26   1HB   GLN   4          1HB       GLN   4 -17.973   0.751  -6.943
   27   2HB   GLN   4          2HB       GLN   4 -17.579   1.430  -5.370
   28   1HG   GLN   4          1HG       GLN   4 -16.556   2.732  -7.119
   29   2HG   GLN   4          2HG       GLN   4 -15.314   1.924  -6.162
   30   1HE2  GLN   4          2HE2      GLN   4 -17.376   0.900  -8.862
   31   2HE2  GLN   4          1HE2      GLN   4 -16.081   0.371  -9.875
   32    H    LEU   5           H        LEU   5 -16.849  -0.171  -3.257
   33    HA   LEU   5           HA       LEU   5 -14.165   0.733  -2.782
   34   1HB   LEU   5          1HB       LEU   5 -16.299  -0.082  -0.808
   35   2HB   LEU   5          2HB       LEU   5 -14.823   0.784  -0.428
   36    HG   LEU   5           HG       LEU   5 -16.893   1.901  -2.305
   37   1HD1  LEU   5          1HD1      LEU   5 -16.889   1.761   0.643
   38   2HD1  LEU   5          2HD1      LEU   5 -17.269   3.329  -0.070
   39   3HD1  LEU   5          3HD1      LEU   5 -18.233   1.913  -0.487
   40   1HD2  LEU   5          1HD2      LEU   5 -14.594   3.080  -0.758
   41   2HD2  LEU   5          2HD2      LEU   5 -14.762   2.957  -2.509
   42   3HD2  LEU   5          3HD2      LEU   5 -15.813   4.040  -1.596
   43    H    GLU   6           H        GLU   6 -15.889  -2.288  -2.580
   44    HA   GLU   6           HA       GLU   6 -14.216  -3.746  -0.898
   45   1HB   GLU   6          1HB       GLU   6 -16.115  -4.408  -3.082
   46   2HB   GLU   6          2HB       GLU   6 -14.988  -5.667  -2.601
   47   1HG   GLU   6          1HG       GLU   6 -15.778  -5.496  -0.297
   48   2HG   GLU   6          2HG       GLU   6 -16.903  -4.227  -0.778
   49    H    LYS   7           H        LYS   7 -14.086  -3.400  -4.432
   50    HA   LYS   7           HA       LYS   7 -11.720  -4.939  -4.726
   51   1HB   LYS   7          1HB       LYS   7 -13.140  -2.994  -6.537
   52   2HB   LYS   7          2HB       LYS   7 -11.666  -3.826  -7.018
   53   1HG   LYS   7          1HG       LYS   7 -13.371  -5.130  -7.910
   54   2HG   LYS   7          2HG       LYS   7 -12.912  -5.982  -6.435
   55   1HD   LYS   7          1HD       LYS   7 -14.798  -5.031  -5.256
   56   2HD   LYS   7          2HD       LYS   7 -15.227  -4.060  -6.666
   57   1HE   LYS   7          1HE       LYS   7 -16.288  -5.768  -7.646
   58   2HE   LYS   7          2HE       LYS   7 -14.993  -6.902  -7.265
   59   1HZ   LYS   7          1HZ       LYS   7 -15.934  -6.865  -4.923
   60   2HZ   LYS   7          2HZ       LYS   7 -17.305  -6.130  -5.592
   61   3HZ   LYS   7          3HZ       LYS   7 -16.841  -7.676  -6.098
   62    H    GLU   8           H        GLU   8 -12.335  -1.633  -3.920
   63    HA   GLU   8           HA       GLU   8  -9.955  -0.426  -4.726
   64   1HB   GLU   8          1HB       GLU   8 -12.010   0.695  -3.767
   65   2HB   GLU   8          2HB       GLU   8 -11.434   0.217  -2.177
   66   1HG   GLU   8          1HG       GLU   8  -9.389   1.505  -2.533
   67   2HG   GLU   8          2HG       GLU   8  -9.974   1.987  -4.125
   68    H    VAL   9           H        VAL   9 -10.644  -2.576  -2.085
   69    HA   VAL   9           HA       VAL   9  -8.214  -2.051  -0.644
   70    HB   VAL   9           HB       VAL   9 -10.181  -4.337  -0.418
   71   1HG1  VAL   9          1HG1      VAL   9  -7.778  -3.604   1.232
   72   2HG1  VAL   9          2HG1      VAL   9  -9.100  -4.581   1.874
   73   3HG1  VAL   9          3HG1      VAL   9  -8.170  -5.154   0.489
   74   1HG2  VAL   9          1HG2      VAL   9 -11.058  -2.069   0.104
   75   2HG2  VAL   9          2HG2      VAL   9 -11.070  -3.172   1.481
   76   3HG2  VAL   9          3HG2      VAL   9  -9.826  -1.928   1.356
   77    H    ALA  10           H        ALA  10  -9.416  -4.837  -2.527
   78    HA   ALA  10           HA       ALA  10  -7.088  -6.351  -2.504
   79   1HB   ALA  10          1HB       ALA  10  -9.443  -6.930  -3.387
   80   2HB   ALA  10          2HB       ALA  10  -8.863  -6.271  -4.915
   81   3HB   ALA  10          3HB       ALA  10  -8.042  -7.647  -4.182
   82    H    GLN  11           H        GLN  11  -7.913  -3.526  -4.350
   83    HA   GLN  11           HA       GLN  11  -6.069  -3.730  -6.445
   84   1HB   GLN  11          1HB       GLN  11  -7.825  -2.070  -6.489
   85   2HB   GLN  11          2HB       GLN  11  -7.191  -1.301  -5.044
   86   1HG   GLN  11          1HG       GLN  11  -5.456  -0.307  -6.158
   87   2HG   GLN  11          2HG       GLN  11  -5.457  -1.510  -7.443
   88   1HE2  GLN  11          2HE2      GLN  11  -7.301  -1.471  -8.929
   89   2HE2  GLN  11          1HE2      GLN  11  -8.010   0.054  -9.325
   90    H    LEU  12           H        LEU  12  -5.748  -1.984  -3.343
   91    HA   LEU  12           HA       LEU  12  -2.958  -1.476  -3.766
   92   1HB   LEU  12          1HB       LEU  12  -4.618  -1.224  -1.257
   93   2HB   LEU  12          2HB       LEU  12  -2.990  -0.609  -1.465
   94    HG   LEU  12           HG       LEU  12  -5.230   0.301  -3.249
   95   1HD1  LEU  12          1HD1      LEU  12  -4.434   1.433  -0.574
   96   2HD1  LEU  12          2HD1      LEU  12  -5.463   2.250  -1.747
   97   3HD1  LEU  12          3HD1      LEU  12  -5.995   0.740  -1.009
   98   1HD2  LEU  12          1HD2      LEU  12  -2.558   1.443  -2.449
   99   2HD2  LEU  12          2HD2      LEU  12  -3.024   0.826  -4.034
  100   3HD2  LEU  12          3HD2      LEU  12  -3.761   2.303  -3.410
  101    H    GLU  13           H        GLU  13  -4.849  -3.808  -1.914
  102    HA   GLU  13           HA       GLU  13  -2.895  -4.930  -0.327
  103   1HB   GLU  13          1HB       GLU  13  -5.410  -5.923  -1.549
  104   2HB   GLU  13          2HB       GLU  13  -4.304  -7.134  -0.914
  105   1HG   GLU  13          1HG       GLU  13  -4.328  -5.988   1.258
  106   2HG   GLU  13          2HG       GLU  13  -5.480  -4.821   0.612
  107    H    ALA  14           H        ALA  14  -3.298  -5.177  -3.763
  108    HA   ALA  14           HA       ALA  14  -1.518  -7.444  -4.028
  109   1HB   ALA  14          1HB       ALA  14  -3.468  -7.007  -5.555
  110   2HB   ALA  14          2HB       ALA  14  -2.541  -5.667  -6.230
  111   3HB   ALA  14          3HB       ALA  14  -1.930  -7.316  -6.363
  112    H    GLU  15           H        GLU  15  -1.397  -3.950  -4.414
  113    HA   GLU  15           HA       GLU  15   1.318  -4.021  -5.431
  114   1HB   GLU  15          1HB       GLU  15  -0.566  -2.325  -6.038
  115   2HB   GLU  15          2HB       GLU  15  -0.094  -1.527  -4.544
  116   1HG   GLU  15          1HG       GLU  15   1.355  -0.418  -5.817
  117   2HG   GLU  15          2HG       GLU  15   2.315  -1.896  -5.758
  118    H    ASN  16           H        ASN  16  -0.307  -2.612  -2.582
  119    HA   ASN  16           HA       ASN  16   1.891  -1.738  -1.185
  120   1HB   ASN  16          1HB       ASN  16  -0.376  -1.278  -0.450
  121   2HB   ASN  16          2HB       ASN  16  -0.650  -2.983  -0.111
  122   1HD2  ASN  16          2HD2      ASN  16  -1.262  -2.086   1.991
  123   2HD2  ASN  16          1HD2      ASN  16  -0.029  -1.832   3.172
  124    H    TYR  17           H        TYR  17   0.621  -5.014  -1.415
  125    HA   TYR  17           HA       TYR  17   2.299  -6.135   0.587
  126   1HB   TYR  17          1HB       TYR  17   0.266  -7.276  -0.052
  127   2HB   TYR  17          2HB       TYR  17   0.811  -7.404  -1.720
  128    HD1  TYR  17           HD1      TYR  17   2.107  -8.309   1.677
  129    HD2  TYR  17           HD2      TYR  17   1.521  -9.492  -2.368
  130    HE1  TYR  17           HE1      TYR  17   3.108 -10.498   2.178
  131    HE2  TYR  17           HE2      TYR  17   2.519 -11.684  -1.878
  132    HH   TYR  17           HH       TYR  17   2.981 -12.847   1.207
  133    H    GLN  18           H        GLN  18   2.519  -5.929  -2.945
  134    HA   GLN  18           HA       GLN  18   4.817  -7.459  -3.310
  135   1HB   GLN  18          1HB       GLN  18   3.156  -6.238  -4.994
  136   2HB   GLN  18          2HB       GLN  18   4.437  -5.035  -4.998
  137   1HG   GLN  18          1HG       GLN  18   5.726  -6.278  -6.307
  138   2HG   GLN  18          2HG       GLN  18   5.484  -7.712  -5.310
  139   1HE2  GLN  18          2HE2      GLN  18   4.571  -6.026  -8.152
  140   2HE2  GLN  18          1HE2      GLN  18   3.477  -7.210  -8.774
  141    H    LEU  19           H        LEU  19   4.452  -4.247  -2.046
  142    HA   LEU  19           HA       LEU  19   7.330  -3.755  -2.246
  143   1HB   LEU  19          1HB       LEU  19   5.150  -1.917  -1.269
  144   2HB   LEU  19          2HB       LEU  19   6.821  -1.480  -1.567
  145    HG   LEU  19           HG       LEU  19   4.870  -2.383  -3.687
  146   1HD1  LEU  19          1HD1      LEU  19   4.995   0.075  -2.394
  147   2HD1  LEU  19          2HD1      LEU  19   5.866   0.318  -3.907
  148   3HD1  LEU  19          3HD1      LEU  19   4.207  -0.277  -3.932
  149   1HD2  LEU  19          1HD2      LEU  19   7.760  -1.633  -3.705
  150   2HD2  LEU  19          2HD2      LEU  19   6.934  -2.942  -4.549
  151   3HD2  LEU  19          3HD2      LEU  19   6.755  -1.280  -5.111
  152    H    GLU  20           H        GLU  20   4.726  -3.811   0.179
  153    HA   GLU  20           HA       GLU  20   6.192  -3.290   2.453
  154   1HB   GLU  20          1HB       GLU  20   3.665  -3.684   2.182
  155   2HB   GLU  20          2HB       GLU  20   4.035  -5.386   2.414
  156   1HG   GLU  20          1HG       GLU  20   5.333  -4.321   4.521
  157   2HG   GLU  20          2HG       GLU  20   4.007  -3.173   4.346
  158    H    GLN  21           H        GLN  21   6.171  -6.161   0.505
  159    HA   GLN  21           HA       GLN  21   7.544  -7.741   2.518
  160   1HB   GLN  21          1HB       GLN  21   5.951  -8.316   0.250
  161   2HB   GLN  21          2HB       GLN  21   7.547  -8.980  -0.071
  162   1HG   GLN  21          1HG       GLN  21   6.269  -9.500   2.566
  163   2HG   GLN  21          2HG       GLN  21   5.719 -10.394   1.149
  164   1HE2  GLN  21          2HE2      GLN  21   6.647 -12.290   0.960
  165   2HE2  GLN  21          1HE2      GLN  21   8.268 -12.687   1.404
  166    H    GLU  22           H        GLU  22   8.270  -5.868  -0.326
  167    HA   GLU  22           HA       GLU  22  10.966  -6.915  -0.545
  168   1HB   GLU  22          1HB       GLU  22   9.221  -5.149  -2.134
  169   2HB   GLU  22          2HB       GLU  22  10.926  -4.721  -2.164
  170   1HG   GLU  22          1HG       GLU  22  11.522  -6.588  -3.303
  171   2HG   GLU  22          2HG       GLU  22  10.236  -7.565  -2.598
  172    H    VAL  23           H        VAL  23   9.346  -3.996   0.574
  173    HA   VAL  23           HA       VAL  23  11.625  -2.420   1.031
  174    HB   VAL  23           HB       VAL  23   9.091  -2.318   2.667
  175   1HG1  VAL  23          1HG1      VAL  23  11.382  -0.895   2.956
  176   2HG1  VAL  23          2HG1      VAL  23  10.472   0.144   1.859
  177   3HG1  VAL  23          3HG1      VAL  23   9.782  -0.316   3.416
  178   1HG2  VAL  23          1HG2      VAL  23   9.235  -2.131  -0.110
  179   2HG2  VAL  23          2HG2      VAL  23   7.909  -1.595   0.922
  180   3HG2  VAL  23          3HG2      VAL  23   9.175  -0.461   0.452
  181    H    ALA  24           H        ALA  24   9.941  -4.778   3.044
  182    HA   ALA  24           HA       ALA  24  11.281  -4.324   5.455
  183   1HB   ALA  24          1HB       ALA  24  10.008  -6.795   4.308
  184   2HB   ALA  24          2HB       ALA  24  10.697  -6.743   5.930
  185   3HB   ALA  24          3HB       ALA  24   9.351  -5.685   5.510
  186    H    GLN  25           H        GLN  25  12.218  -6.070   2.579
  187    HA   GLN  25           HA       GLN  25  14.520  -7.295   3.822
  188   1HB   GLN  25          1HB       GLN  25  13.426  -7.217   1.023
  189   2HB   GLN  25          2HB       GLN  25  15.040  -7.839   1.341
  190   1HG   GLN  25          1HG       GLN  25  14.253  -9.660   2.521
  191   2HG   GLN  25          2HG       GLN  25  12.709  -8.888   2.880
  192   1HE2  GLN  25          2HE2      GLN  25  11.971 -11.052   2.135
  193   2HE2  GLN  25          1HE2      GLN  25  11.668 -11.258   0.447
  194    H    LEU  26           H        LEU  26  13.849  -4.574   1.672
  195    HA   LEU  26           HA       LEU  26  16.453  -3.886   0.974
  196   1HB   LEU  26          1HB       LEU  26  13.981  -2.219   1.378
  197   2HB   LEU  26          2HB       LEU  26  15.493  -1.523   0.827
  198    HG   LEU  26           HG       LEU  26  13.846  -3.614  -0.594
  199   1HD1  LEU  26          1HD1      LEU  26  13.143  -1.167  -0.625
  200   2HD1  LEU  26          2HD1      LEU  26  14.607  -0.878  -1.564
  201   3HD1  LEU  26          3HD1      LEU  26  13.363  -1.962  -2.184
  202   1HD2  LEU  26          1HD2      LEU  26  16.625  -2.619  -1.047
  203   2HD2  LEU  26          2HD2      LEU  26  15.984  -4.258  -1.167
  204   3HD2  LEU  26          3HD2      LEU  26  15.621  -3.075  -2.423
  205    H    GLU  27           H        GLU  27  14.571  -2.030   3.357
  206    HA   GLU  27           HA       GLU  27  17.042  -1.321   4.721
  207   1HB   GLU  27          1HB       GLU  27  15.514   0.171   6.064
  208   2HB   GLU  27          2HB       GLU  27  15.582   0.518   4.342
  209   1HG   GLU  27          1HG       GLU  27  13.453  -0.326   3.958
  210   2HG   GLU  27          2HG       GLU  27  13.442  -1.242   5.464
  211    H    HIS  28           H        HIS  28  16.707  -3.940   5.075
  212    HA   HIS  28           HA       HIS  28  15.119  -4.690   7.295
  213   1HB   HIS  28          1HB       HIS  28  16.386  -6.771   7.266
  214   2HB   HIS  28          2HB       HIS  28  15.963  -6.302   5.622
  215    HD1  HIS  28           HD1      HIS  28  18.790  -7.374   7.608
  216    HD2  HIS  28           HD2      HIS  28  18.220  -4.961   4.273
  217    HE1  HIS  28           HE1      HIS  28  21.045  -7.175   6.482
  218    H    GLU  29           H        GLU  29  18.401  -3.493   6.966
  219    HA   GLU  29           HA       GLU  29  19.349  -4.097   9.531
  220   1HB   GLU  29          1HB       GLU  29  20.922  -2.165   9.134
  221   2HB   GLU  29          2HB       GLU  29  20.916  -3.399   7.882
  222   1HG   GLU  29          1HG       GLU  29  19.014  -1.263   7.366
  223   2HG   GLU  29          2HG       GLU  29  20.675  -0.689   7.499
  224    H    GLY  30           H        GLY  30  17.278  -1.533   8.371
  225   1HA   GLY  30          1HA       GLY  30  15.720  -0.529   9.928
  226   2HA   GLY  30          2HA       GLY  30  16.967  -0.630  11.162
  227   1HN   NH2  31          1HN       NH2  31  17.608   0.454   7.912
  228   2HN   NH2  31          2HN       NH2  31  17.905   2.109   8.308
  229   1H    ACE   0          1H        ACE   0 -17.802  -4.908   6.308
  230   2H    ACE   0          2H        ACE   0 -16.372  -4.252   5.513
  231   3H    ACE   0          3H        ACE   0 -17.178  -5.670   4.844
  232    H    GLU   1           H        GLU   1 -18.601  -2.667   6.087
  233    HA   GLU   1           HA       GLU   1 -20.111  -2.392   3.622
  234   1HB   GLU   1          1HB       GLU   1 -20.297  -0.600   6.035
  235   2HB   GLU   1          2HB       GLU   1 -21.506  -0.866   4.787
  236   1HG   GLU   1          1HG       GLU   1 -22.337  -2.672   5.803
  237   2HG   GLU   1          2HG       GLU   1 -20.741  -3.292   6.225
  238    H    VAL   2           H        VAL   2 -20.550   0.304   3.499
  239    HA   VAL   2           HA       VAL   2 -18.640   1.273   1.840
  240    HB   VAL   2           HB       VAL   2 -19.379   3.630   2.847
  241   1HG1  VAL   2          1HG1      VAL   2 -21.024   1.754   1.166
  242   2HG1  VAL   2          2HG1      VAL   2 -21.409   3.463   1.379
  243   3HG1  VAL   2          3HG1      VAL   2 -19.888   2.987   0.620
  244   1HG2  VAL   2          1HG2      VAL   2 -20.608   2.048   4.663
  245   2HG2  VAL   2          2HG2      VAL   2 -21.174   3.657   4.214
  246   3HG2  VAL   2          3HG2      VAL   2 -21.894   2.229   3.470
  247    H    GLN   3           H        GLN   3 -18.821   3.052   4.855
  248    HA   GLN   3           HA       GLN   3 -16.157   3.831   4.856
  249   1HB   GLN   3          1HB       GLN   3 -16.517   4.535   7.163
  250   2HB   GLN   3          2HB       GLN   3 -17.898   4.963   6.162
  251   1HG   GLN   3          1HG       GLN   3 -18.787   2.629   7.032
  252   2HG   GLN   3          2HG       GLN   3 -17.683   2.987   8.359
  253   1HE2  GLN   3          2HE2      GLN   3 -17.943   5.754   8.434
  254   2HE2  GLN   3          1HE2      GLN   3 -19.539   6.149   8.968
  255    H    ALA   4           H        ALA   4 -17.711   1.048   6.358
  256    HA   ALA   4           HA       ALA   4 -15.669   0.164   8.008
  257   1HB   ALA   4          1HB       ALA   4 -18.083  -0.927   6.906
  258   2HB   ALA   4          2HB       ALA   4 -16.815  -2.153   6.929
  259   3HB   ALA   4          3HB       ALA   4 -17.264  -1.320   8.417
  260    H    LEU   5           H        LEU   5 -15.939  -0.048   4.531
  261    HA   LEU   5           HA       LEU   5 -13.423  -1.588   4.446
  262   1HB   LEU   5          1HB       LEU   5 -15.810  -1.476   2.686
  263   2HB   LEU   5          2HB       LEU   5 -14.260  -1.692   1.905
  264    HG   LEU   5           HG       LEU   5 -15.147  -3.486   4.149
  265   1HD1  LEU   5          1HD1      LEU   5 -16.706  -3.293   2.022
  266   2HD1  LEU   5          2HD1      LEU   5 -15.468  -4.335   1.322
  267   3HD1  LEU   5          3HD1      LEU   5 -16.339  -4.850   2.765
  268   1HD2  LEU   5          1HD2      LEU   5 -12.740  -3.227   2.934
  269   2HD2  LEU   5          2HD2      LEU   5 -13.332  -4.720   3.661
  270   3HD2  LEU   5          3HD2      LEU   5 -13.493  -4.461   1.925
  271    H    LYS   6           H        LYS   6 -15.188   1.100   3.104
  272    HA   LYS   6           HA       LYS   6 -13.401   2.182   1.322
  273   1HB   LYS   6          1HB       LYS   6 -15.602   3.051   1.459
  274   2HB   LYS   6          2HB       LYS   6 -15.437   3.389   3.171
  275   1HG   LYS   6          1HG       LYS   6 -14.423   5.379   2.820
  276   2HG   LYS   6          2HG       LYS   6 -13.570   4.813   1.382
  277   1HD   LYS   6          1HD       LYS   6 -15.110   6.381   0.569
  278   2HD   LYS   6          2HD       LYS   6 -15.864   4.819   0.246
  279   1HE   LYS   6          1HE       LYS   6 -17.658   5.754   1.227
  280   2HE   LYS   6          2HE       LYS   6 -16.821   5.335   2.721
  281   1HZ   LYS   6          1HZ       LYS   6 -15.734   7.698   2.219
  282   2HZ   LYS   6          2HZ       LYS   6 -17.245   7.939   1.499
  283   3HZ   LYS   6          3HZ       LYS   6 -17.145   7.512   3.133
  284    H    LYS   7           H        LYS   7 -13.493   2.523   4.842
  285    HA   LYS   7           HA       LYS   7 -11.329   4.428   4.866
  286   1HB   LYS   7          1HB       LYS   7 -11.610   4.529   7.205
  287   2HB   LYS   7          2HB       LYS   7 -13.230   4.337   6.552
  288   1HG   LYS   7          1HG       LYS   7 -12.775   1.794   6.976
  289   2HG   LYS   7          2HG       LYS   7 -11.571   2.415   8.107
  290   1HD   LYS   7          1HD       LYS   7 -14.489   3.189   8.103
  291   2HD   LYS   7          2HD       LYS   7 -13.771   1.976   9.164
  292   1HE   LYS   7          1HE       LYS   7 -12.166   4.260   9.416
  293   2HE   LYS   7          2HE       LYS   7 -13.830   4.841   9.434
  294   1HZ   LYS   7          1HZ       LYS   7 -12.788   2.667  11.168
  295   2HZ   LYS   7          2HZ       LYS   7 -12.980   4.277  11.654
  296   3HZ   LYS   7          3HZ       LYS   7 -14.333   3.353  11.231
  297    H    ARG   8           H        ARG   8 -11.666   0.979   5.082
  298    HA   ARG   8           HA       ARG   8  -9.184   0.454   6.352
  299   1HB   ARG   8          1HB       ARG   8  -9.618  -1.793   5.998
  300   2HB   ARG   8          2HB       ARG   8 -11.232  -1.104   6.019
  301   1HG   ARG   8          1HG       ARG   8 -11.628  -2.039   4.054
  302   2HG   ARG   8          2HG       ARG   8 -10.365  -1.040   3.336
  303   1HD   ARG   8          1HD       ARG   8  -9.204  -2.892   2.940
  304   2HD   ARG   8          2HD       ARG   8  -9.031  -3.111   4.678
  305    HE   ARG   8           HE       ARG   8 -10.815  -4.536   2.906
  306   1HH1  ARG   8          1HH1      ARG   8 -10.075  -3.693   6.213
  307   2HH1  ARG   8          2HH1      ARG   8 -10.924  -5.046   6.878
  308   1HH2  ARG   8          1HH2      ARG   8 -11.931  -6.316   3.783
  309   2HH2  ARG   8          2HH2      ARG   8 -11.977  -6.535   5.500
  310    H    VAL   9           H        VAL   9 -10.066   1.250   3.108
  311    HA   VAL   9           HA       VAL   9  -7.916   0.152   1.691
  312    HB   VAL   9           HB       VAL   9  -9.338   2.754   1.102
  313   1HG1  VAL   9          1HG1      VAL   9  -7.153   2.211  -0.108
  314   2HG1  VAL   9          2HG1      VAL   9  -8.049   0.907  -0.887
  315   3HG1  VAL   9          3HG1      VAL   9  -8.561   2.580  -1.104
  316   1HG2  VAL   9          1HG2      VAL   9 -10.176  -0.048   0.887
  317   2HG2  VAL   9          2HG2      VAL   9 -11.141   1.426   0.943
  318   3HG2  VAL   9          3HG2      VAL   9 -10.417   0.906  -0.577
  319    H    GLN  10           H        GLN  10  -8.249   3.276   3.340
  320    HA   GLN  10           HA       GLN  10  -5.883   4.473   2.558
  321   1HB   GLN  10          1HB       GLN  10  -6.077   5.881   4.482
  322   2HB   GLN  10          2HB       GLN  10  -7.703   5.532   3.913
  323   1HG   GLN  10          1HG       GLN  10  -8.194   4.965   5.996
  324   2HG   GLN  10          2HG       GLN  10  -7.196   3.532   5.758
  325   1HE2  GLN  10          2HE2      GLN  10  -7.615   4.759   8.238
  326   2HE2  GLN  10          1HE2      GLN  10  -6.107   5.390   8.797
  327    H    ALA  11           H        ALA  11  -6.368   1.811   4.715
  328    HA   ALA  11           HA       ALA  11  -3.824   2.007   6.022
  329   1HB   ALA  11          1HB       ALA  11  -5.853   0.910   6.996
  330   2HB   ALA  11          2HB       ALA  11  -5.604  -0.415   5.859
  331   3HB   ALA  11          3HB       ALA  11  -4.378  -0.054   7.074
  332    H    LEU  12           H        LEU  12  -4.567   1.248   2.892
  333    HA   LEU  12           HA       LEU  12  -2.340  -0.666   2.679
  334   1HB   LEU  12          1HB       LEU  12  -4.223  -0.270   0.415
  335   2HB   LEU  12          2HB       LEU  12  -3.362  -1.710   0.907
  336    HG   LEU  12           HG       LEU  12  -5.568  -0.689   2.647
  337   1HD1  LEU  12          1HD1      LEU  12  -6.316  -0.782   0.208
  338   2HD1  LEU  12          2HD1      LEU  12  -6.108  -2.527   0.341
  339   3HD1  LEU  12          3HD1      LEU  12  -7.257  -1.694   1.386
  340   1HD2  LEU  12          1HD2      LEU  12  -4.092  -3.214   2.189
  341   2HD2  LEU  12          2HD2      LEU  12  -4.669  -2.491   3.691
  342   3HD2  LEU  12          3HD2      LEU  12  -5.794  -3.341   2.631
  343    H    LYS  13           H        LYS  13  -3.768   2.257   1.312
  344    HA   LYS  13           HA       LYS  13  -1.508   2.609  -0.481
  345   1HB   LYS  13          1HB       LYS  13  -2.764   4.710  -1.148
  346   2HB   LYS  13          2HB       LYS  13  -3.553   3.181  -1.496
  347   1HG   LYS  13          1HG       LYS  13  -5.189   4.695  -0.667
  348   2HG   LYS  13          2HG       LYS  13  -4.898   3.484   0.580
  349   1HD   LYS  13          1HD       LYS  13  -4.038   4.991   2.016
  350   2HD   LYS  13          2HD       LYS  13  -3.196   5.874   0.742
  351   1HE   LYS  13          1HE       LYS  13  -6.050   6.164   0.467
  352   2HE   LYS  13          2HE       LYS  13  -5.532   6.632   2.086
  353   1HZ   LYS  13          1HZ       LYS  13  -3.972   7.629  -0.175
  354   2HZ   LYS  13          2HZ       LYS  13  -5.498   8.312   0.078
  355   3HZ   LYS  13          3HZ       LYS  13  -4.332   8.373   1.301
  356    H    ALA  14           H        ALA  14  -2.595   3.770   2.603
  357    HA   ALA  14           HA       ALA  14  -1.248   6.215   2.739
  358   1HB   ALA  14          1HB       ALA  14  -1.875   4.226   4.914
  359   2HB   ALA  14          2HB       ALA  14  -1.254   5.850   5.207
  360   3HB   ALA  14          3HB       ALA  14  -2.827   5.632   4.439
  361    H    ARG  15           H        ARG  15  -0.145   3.028   3.894
  362    HA   ARG  15           HA       ARG  15   2.525   3.971   4.352
  363   1HB   ARG  15          1HB       ARG  15   1.549   2.173   5.714
  364   2HB   ARG  15          2HB       ARG  15   1.429   1.153   4.288
  365   1HG   ARG  15          1HG       ARG  15   3.366   0.340   5.121
  366   2HG   ARG  15          2HG       ARG  15   4.035   1.676   4.182
  367   1HD   ARG  15          1HD       ARG  15   5.053   2.166   6.138
  368   2HD   ARG  15          2HD       ARG  15   3.515   2.953   6.486
  369    HE   ARG  15           HE       ARG  15   3.608   0.187   7.267
  370   1HH1  ARG  15          1HH1      ARG  15   4.309   3.463   8.240
  371   2HH1  ARG  15          2HH1      ARG  15   4.233   3.109   9.933
  372   1HH2  ARG  15          1HH2      ARG  15   3.508  -0.282   9.495
  373   2HH2  ARG  15          2HH2      ARG  15   3.779   0.983  10.646
  374    H    ASN  16           H        ASN  16   1.009   1.783   1.993
  375    HA   ASN  16           HA       ASN  16   3.215   1.075   0.505
  376   1HB   ASN  16          1HB       ASN  16   1.036   0.087   0.113
  377   2HB   ASN  16          2HB       ASN  16   0.397   1.626  -0.447
  378   1HD2  ASN  16          2HD2      ASN  16  -0.044   1.316  -2.520
  379   2HD2  ASN  16          1HD2      ASN  16   1.057   0.707  -3.703
  380    H    TYR  17           H        TYR  17   1.231   3.997   0.208
  381    HA   TYR  17           HA       TYR  17   2.346   5.067  -2.094
  382   1HB   TYR  17          1HB       TYR  17   0.391   6.070  -1.094
  383   2HB   TYR  17          2HB       TYR  17   1.288   6.471   0.367
  384    HD1  TYR  17           HD1      TYR  17   1.966   6.984  -3.277
  385    HD2  TYR  17           HD2      TYR  17   1.513   8.757   0.565
  386    HE1  TYR  17           HE1      TYR  17   2.533   9.179  -4.229
  387    HE2  TYR  17           HE2      TYR  17   2.076  10.957  -0.377
  388    HH   TYR  17           HH       TYR  17   2.105  12.105  -2.485
  389    H    ALA  18           H        ALA  18   3.508   5.174   1.228
  390    HA   ALA  18           HA       ALA  18   5.664   6.970   0.690
  391   1HB   ALA  18          1HB       ALA  18   4.710   5.393   2.996
  392   2HB   ALA  18          2HB       ALA  18   6.433   5.770   2.971
  393   3HB   ALA  18          3HB       ALA  18   5.245   7.072   2.910
  394    H    LEU  19           H        LEU  19   5.396   3.447   1.060
  395    HA   LEU  19           HA       LEU  19   8.136   2.888   0.775
  396   1HB   LEU  19          1HB       LEU  19   6.171   0.950  -0.322
  397   2HB   LEU  19          2HB       LEU  19   7.574   0.670   0.686
  398    HG   LEU  19           HG       LEU  19   4.856   1.620   1.561
  399   1HD1  LEU  19          1HD1      LEU  19   5.313  -0.831   1.179
  400   2HD1  LEU  19          2HD1      LEU  19   6.464  -0.733   2.512
  401   3HD1  LEU  19          3HD1      LEU  19   4.756  -0.391   2.794
  402   1HD2  LEU  19          1HD2      LEU  19   7.494   1.740   2.958
  403   2HD2  LEU  19          2HD2      LEU  19   6.190   2.927   2.921
  404   3HD2  LEU  19          3HD2      LEU  19   6.018   1.458   3.880
  405    H    LYS  20           H        LYS  20   5.522   2.643  -1.628
  406    HA   LYS  20           HA       LYS  20   6.863   1.985  -3.886
  407   1HB   LYS  20          1HB       LYS  20   4.357   2.827  -3.373
  408   2HB   LYS  20          2HB       LYS  20   4.974   4.241  -4.215
  409   1HG   LYS  20          1HG       LYS  20   5.419   3.002  -6.175
  410   2HG   LYS  20          2HG       LYS  20   5.181   1.464  -5.342
  411   1HD   LYS  20          1HD       LYS  20   2.851   1.802  -5.172
  412   2HD   LYS  20          2HD       LYS  20   2.991   3.507  -5.604
  413   1HE   LYS  20          1HE       LYS  20   4.123   2.188  -7.755
  414   2HE   LYS  20          2HE       LYS  20   2.759   1.163  -7.306
  415   1HZ   LYS  20          1HZ       LYS  20   2.590   4.082  -7.829
  416   2HZ   LYS  20          2HZ       LYS  20   2.157   2.874  -8.930
  417   3HZ   LYS  20          3HZ       LYS  20   1.294   3.051  -7.486
  418    H    GLN  21           H        GLN  21   6.977   5.069  -2.254
  419    HA   GLN  21           HA       GLN  21   8.411   6.335  -4.430
  420   1HB   GLN  21          1HB       GLN  21   6.760   7.601  -3.105
  421   2HB   GLN  21          2HB       GLN  21   7.758   7.380  -1.674
  422   1HG   GLN  21          1HG       GLN  21   9.125   8.567  -3.987
  423   2HG   GLN  21          2HG       GLN  21   7.842   9.546  -3.276
  424   1HE2  GLN  21          2HE2      GLN  21   8.655  10.979  -1.939
  425   2HE2  GLN  21          1HE2      GLN  21   9.945  10.720  -0.820
  426    H    LYS  22           H        LYS  22   9.093   5.159  -1.163
  427    HA   LYS  22           HA       LYS  22  11.878   5.959  -1.384
  428   1HB   LYS  22          1HB       LYS  22  12.074   5.153   0.925
  429   2HB   LYS  22          2HB       LYS  22  10.754   6.300   0.742
  430   1HG   LYS  22          1HG       LYS  22   9.318   4.834   1.563
  431   2HG   LYS  22          2HG       LYS  22   9.758   3.664   0.317
  432   1HD   LYS  22          1HD       LYS  22  10.194   2.582   2.361
  433   2HD   LYS  22          2HD       LYS  22  11.770   3.106   1.770
  434   1HE   LYS  22          1HE       LYS  22  11.718   3.640   4.071
  435   2HE   LYS  22          2HE       LYS  22  11.489   5.160   3.208
  436   1HZ   LYS  22          1HZ       LYS  22   9.011   4.680   3.523
  437   2HZ   LYS  22          2HZ       LYS  22   9.502   3.574   4.705
  438   3HZ   LYS  22          3HZ       LYS  22   9.891   5.211   4.868
  439    H    VAL  23           H        VAL  23  10.212   3.338  -2.525
  440    HA   VAL  23           HA       VAL  23  11.545   1.078  -1.707
  441    HB   VAL  23           HB       VAL  23  10.840   1.632  -4.593
  442   1HG1  VAL  23          1HG1      VAL  23  12.258  -0.366  -4.107
  443   2HG1  VAL  23          2HG1      VAL  23  10.950  -0.986  -3.100
  444   3HG1  VAL  23          3HG1      VAL  23  10.695  -0.748  -4.829
  445   1HG2  VAL  23          1HG2      VAL  23   9.153   0.970  -2.233
  446   2HG2  VAL  23          2HG2      VAL  23   8.805   2.005  -3.617
  447   3HG2  VAL  23          3HG2      VAL  23   8.744   0.252  -3.791
  448    H    GLN  24           H        GLN  24  12.455   2.927  -4.622
  449    HA   GLN  24           HA       GLN  24  14.959   1.670  -4.923
  450   1HB   GLN  24          1HB       GLN  24  14.336   4.441  -5.919
  451   2HB   GLN  24          2HB       GLN  24  15.391   3.235  -6.641
  452   1HG   GLN  24          1HG       GLN  24  13.064   1.901  -6.706
  453   2HG   GLN  24          2HG       GLN  24  12.470   3.556  -6.824
  454   1HE2  GLN  24          2HE2      GLN  24  11.944   2.060  -8.909
  455   2HE2  GLN  24          1HE2      GLN  24  12.974   2.418 -10.249
  456    H    ALA  25           H        ALA  25  13.932   4.541  -3.188
  457    HA   ALA  25           HA       ALA  25  16.428   5.692  -2.682
  458   1HB   ALA  25          1HB       ALA  25  13.889   6.377  -2.093
  459   2HB   ALA  25          2HB       ALA  25  14.447   5.848  -0.505
  460   3HB   ALA  25          3HB       ALA  25  15.304   7.132  -1.358
  461    H    LEU  26           H        LEU  26  14.803   2.974  -1.210
  462    HA   LEU  26           HA       LEU  26  16.486   2.802   1.087
  463   1HB   LEU  26          1HB       LEU  26  14.618   0.852  -0.245
  464   2HB   LEU  26          2HB       LEU  26  15.542   0.439   1.187
  465    HG   LEU  26           HG       LEU  26  13.539   2.690   1.021
  466   1HD1  LEU  26          1HD1      LEU  26  13.305  -0.171   1.764
  467   2HD1  LEU  26          2HD1      LEU  26  12.428   1.007   2.741
  468   3HD1  LEU  26          3HD1      LEU  26  12.131   0.906   1.006
  469   1HD2  LEU  26          1HD2      LEU  26  15.638   2.254   2.823
  470   2HD2  LEU  26          2HD2      LEU  26  14.288   3.375   2.995
  471   3HD2  LEU  26          3HD2      LEU  26  14.172   1.746   3.661
  472    H    ARG  27           H        ARG  27  16.234   0.660  -1.757
  473    HA   ARG  27           HA       ARG  27  18.579  -0.771  -1.280
  474   1HB   ARG  27          1HB       ARG  27  18.496  -1.225  -3.792
  475   2HB   ARG  27          2HB       ARG  27  17.091  -1.697  -2.846
  476   1HG   ARG  27          1HG       ARG  27  16.547   0.906  -3.654
  477   2HG   ARG  27          2HG       ARG  27  17.297   0.144  -5.057
  478   1HD   ARG  27          1HD       ARG  27  15.624  -1.819  -4.319
  479   2HD   ARG  27          2HD       ARG  27  14.717  -0.427  -3.733
  480    HE   ARG  27           HE       ARG  27  14.163   0.011  -5.892
  481   1HH1  ARG  27          1HH1      ARG  27  17.150  -1.793  -5.896
  482   2HH1  ARG  27          2HH1      ARG  27  17.241  -1.880  -7.622
  483   1HH2  ARG  27          1HH2      ARG  27  14.281  -0.102  -8.163
  484   2HH2  ARG  27          2HH2      ARG  27  15.613  -0.920  -8.910
  485    H    HIS  28           H        HIS  28  18.105   2.379  -2.665
  486    HA   HIS  28           HA       HIS  28  20.494   2.669  -4.088
  487   1HB   HIS  28          1HB       HIS  28  18.390   4.406  -3.086
  488   2HB   HIS  28          2HB       HIS  28  19.967   5.183  -3.000
  489    HD1  HIS  28           HD1      HIS  28  19.490   2.807  -5.810
  490    HD2  HIS  28           HD2      HIS  28  19.086   6.878  -5.088
  491    HE1  HIS  28           HE1      HIS  28  19.301   3.915  -8.076
  492    H    LYS  29           H        LYS  29  19.818   4.038  -0.864
  493    HA   LYS  29           HA       LYS  29  22.570   4.463  -0.291
  494   1HB   LYS  29          1HB       LYS  29  20.309   5.493   0.717
  495   2HB   LYS  29          2HB       LYS  29  20.623   4.273   1.943
  496   1HG   LYS  29          1HG       LYS  29  22.564   5.286   2.650
  497   2HG   LYS  29          2HG       LYS  29  22.811   6.120   1.114
  498   1HD   LYS  29          1HD       LYS  29  20.355   6.837   2.574
  499   2HD   LYS  29          2HD       LYS  29  21.867   7.310   3.350
  500   1HE   LYS  29          1HE       LYS  29  21.140   7.940   0.492
  501   2HE   LYS  29          2HE       LYS  29  20.917   9.049   1.845
  502   1HZ   LYS  29          1HZ       LYS  29  23.578   7.921   1.546
  503   2HZ   LYS  29          2HZ       LYS  29  23.099   9.003   0.337
  504   3HZ   LYS  29          3HZ       LYS  29  23.107   9.494   1.956
  505    H    GLY  30           H        GLY  30  23.464   3.585   1.886
  506   1HA   GLY  30          1HA       GLY  30  23.177   0.652   1.782
  507   2HA   GLY  30          2HA       GLY  30  24.626   1.504   2.295
  508   1HN   NH2  31          1HN       NH2  31  24.972   1.269   4.379
  509   2HN   NH2  31          2HN       NH2  31  23.770   1.238   5.619
  Start of MODEL   27
    1   1H    ACE   0          1H        ACE   0 -23.514   5.772  -3.441
    2   2H    ACE   0          2H        ACE   0 -22.548   5.484  -1.993
    3   3H    ACE   0          3H        ACE   0 -23.889   4.408  -2.386
    4    H    GLU   1           H        GLU   1 -20.624   5.367  -3.227
    5    HA   GLU   1           HA       GLU   1 -20.339   3.422  -5.327
    6   1HB   GLU   1          1HB       GLU   1 -18.120   4.875  -3.892
    7   2HB   GLU   1          2HB       GLU   1 -18.078   4.171  -5.503
    8   1HG   GLU   1          1HG       GLU   1 -20.069   6.304  -4.966
    9   2HG   GLU   1          2HG       GLU   1 -18.374   6.763  -5.111
   10    H    VAL   2           H        VAL   2 -20.557   1.356  -4.660
   11    HA   VAL   2           HA       VAL   2 -19.251   0.454  -2.220
   12    HB   VAL   2           HB       VAL   2 -20.882  -1.165  -4.181
   13   1HG1  VAL   2          1HG1      VAL   2 -19.441  -2.508  -2.748
   14   2HG1  VAL   2          2HG1      VAL   2 -20.090  -1.702  -1.321
   15   3HG1  VAL   2          3HG1      VAL   2 -21.135  -2.723  -2.309
   16   1HG2  VAL   2          1HG2      VAL   2 -21.853   0.919  -2.738
   17   2HG2  VAL   2          2HG2      VAL   2 -22.797  -0.494  -3.209
   18   3HG2  VAL   2          3HG2      VAL   2 -22.075  -0.413  -1.603
   19    H    ALA   3           H        ALA   3 -19.417  -0.889  -5.523
   20    HA   ALA   3           HA       ALA   3 -17.217  -2.548  -5.362
   21   1HB   ALA   3          1HB       ALA   3 -18.700  -1.270  -7.579
   22   2HB   ALA   3          2HB       ALA   3 -17.114  -1.939  -7.960
   23   3HB   ALA   3          3HB       ALA   3 -18.364  -2.973  -7.270
   24    H    GLN   4           H        GLN   4 -17.333   0.900  -5.861
   25    HA   GLN   4           HA       GLN   4 -14.728   1.276  -6.865
   26   1HB   GLN   4          1HB       GLN   4 -16.861   2.902  -6.436
   27   2HB   GLN   4          2HB       GLN   4 -15.808   3.393  -5.116
   28   1HG   GLN   4          1HG       GLN   4 -15.420   4.816  -7.000
   29   2HG   GLN   4          2HG       GLN   4 -14.004   3.795  -6.751
   30   1HE2  GLN   4          2HE2      GLN   4 -16.751   4.449  -8.781
   31   2HE2  GLN   4          1HE2      GLN   4 -16.222   3.525 -10.141
   32    H    LEU   5           H        LEU   5 -15.894   0.544  -3.704
   33    HA   LEU   5           HA       LEU   5 -13.354   1.323  -2.471
   34   1HB   LEU   5          1HB       LEU   5 -15.769   0.204  -1.068
   35   2HB   LEU   5          2HB       LEU   5 -14.429   1.089  -0.365
   36    HG   LEU   5           HG       LEU   5 -16.213   2.414  -2.375
   37   1HD1  LEU   5          1HD1      LEU   5 -16.787   1.892   0.521
   38   2HD1  LEU   5          2HD1      LEU   5 -17.444   3.300  -0.314
   39   3HD1  LEU   5          3HD1      LEU   5 -17.843   1.676  -0.875
   40   1HD2  LEU   5          1HD2      LEU   5 -14.084   3.468  -1.662
   41   2HD2  LEU   5          2HD2      LEU   5 -15.510   4.421  -1.250
   42   3HD2  LEU   5          3HD2      LEU   5 -14.687   3.483  -0.005
   43    H    GLU   6           H        GLU   6 -15.446  -1.491  -2.955
   44    HA   GLU   6           HA       GLU   6 -13.973  -3.374  -1.528
   45   1HB   GLU   6          1HB       GLU   6 -15.447  -3.948  -4.096
   46   2HB   GLU   6          2HB       GLU   6 -15.149  -5.051  -2.760
   47   1HG   GLU   6          1HG       GLU   6 -16.555  -3.496  -1.342
   48   2HG   GLU   6          2HG       GLU   6 -17.023  -2.710  -2.849
   49    H    LYS   7           H        LYS   7 -13.685  -2.390  -4.927
   50    HA   LYS   7           HA       LYS   7 -11.539  -4.195  -5.478
   51   1HB   LYS   7          1HB       LYS   7 -12.195  -1.720  -7.064
   52   2HB   LYS   7          2HB       LYS   7 -11.455  -3.210  -7.632
   53   1HG   LYS   7          1HG       LYS   7 -14.007  -3.821  -6.523
   54   2HG   LYS   7          2HG       LYS   7 -14.179  -2.483  -7.660
   55   1HD   LYS   7          1HD       LYS   7 -12.832  -5.121  -8.241
   56   2HD   LYS   7          2HD       LYS   7 -14.455  -4.660  -8.759
   57   1HE   LYS   7          1HE       LYS   7 -11.843  -3.403  -9.580
   58   2HE   LYS   7          2HE       LYS   7 -12.953  -4.323 -10.595
   59   1HZ   LYS   7          1HZ       LYS   7 -14.570  -2.404  -9.744
   60   2HZ   LYS   7          2HZ       LYS   7 -13.107  -1.557  -9.711
   61   3HZ   LYS   7          3HZ       LYS   7 -13.642  -2.267 -11.151
   62    H    GLU   8           H        GLU   8 -11.781  -0.897  -4.359
   63    HA   GLU   8           HA       GLU   8  -9.182  -0.029  -4.902
   64   1HB   GLU   8          1HB       GLU   8 -11.196   1.298  -4.036
   65   2HB   GLU   8          2HB       GLU   8 -10.693   0.775  -2.434
   66   1HG   GLU   8          1HG       GLU   8  -8.514   1.827  -2.781
   67   2HG   GLU   8          2HG       GLU   8  -9.029   2.354  -4.382
   68    H    VAL   9           H        VAL   9 -10.375  -2.244  -2.531
   69    HA   VAL   9           HA       VAL   9  -8.093  -2.060  -0.789
   70    HB   VAL   9           HB       VAL   9 -10.302  -4.118  -0.952
   71   1HG1  VAL   9          1HG1      VAL   9  -8.285  -5.110   0.003
   72   2HG1  VAL   9          2HG1      VAL   9  -8.171  -3.782   1.158
   73   3HG1  VAL   9          3HG1      VAL   9  -9.531  -4.902   1.232
   74   1HG2  VAL   9          1HG2      VAL   9  -9.823  -1.770   0.873
   75   2HG2  VAL   9          2HG2      VAL   9 -11.147  -1.986  -0.273
   76   3HG2  VAL   9          3HG2      VAL   9 -11.043  -3.012   1.159
   77    H    ALA  10           H        ALA  10  -9.332  -4.663  -2.904
   78    HA   ALA  10           HA       ALA  10  -7.139  -6.347  -2.769
   79   1HB   ALA  10          1HB       ALA  10  -9.468  -6.610  -3.937
   80   2HB   ALA  10          2HB       ALA  10  -8.588  -6.054  -5.361
   81   3HB   ALA  10          3HB       ALA  10  -8.069  -7.514  -4.520
   82    H    GLN  11           H        GLN  11  -7.517  -3.352  -4.466
   83    HA   GLN  11           HA       GLN  11  -5.431  -3.682  -6.357
   84   1HB   GLN  11          1HB       GLN  11  -7.190  -1.984  -6.604
   85   2HB   GLN  11          2HB       GLN  11  -6.594  -1.152  -5.176
   86   1HG   GLN  11          1HG       GLN  11  -5.594   0.102  -6.776
   87   2HG   GLN  11          2HG       GLN  11  -4.348  -1.127  -6.564
   88   1HE2  GLN  11          2HE2      GLN  11  -3.586  -1.951  -8.365
   89   2HE2  GLN  11          1HE2      GLN  11  -4.423  -2.070  -9.871
   90    H    LEU  12           H        LEU  12  -5.563  -2.330  -3.088
   91    HA   LEU  12           HA       LEU  12  -2.706  -1.755  -3.159
   92   1HB   LEU  12          1HB       LEU  12  -4.625  -1.366  -0.868
   93   2HB   LEU  12          2HB       LEU  12  -3.025  -0.670  -1.040
   94    HG   LEU  12           HG       LEU  12  -5.250  -0.037  -2.963
   95   1HD1  LEU  12          1HD1      LEU  12  -4.556   1.316  -0.367
   96   2HD1  LEU  12          2HD1      LEU  12  -5.523   2.063  -1.638
   97   3HD1  LEU  12          3HD1      LEU  12  -6.101   0.606  -0.831
   98   1HD2  LEU  12          1HD2      LEU  12  -2.960   0.456  -3.682
   99   2HD2  LEU  12          2HD2      LEU  12  -3.894   1.930  -3.427
  100   3HD2  LEU  12          3HD2      LEU  12  -2.713   1.415  -2.224
  101    H    GLU  13           H        GLU  13  -4.981  -3.920  -1.549
  102    HA   GLU  13           HA       GLU  13  -3.307  -5.044   0.353
  103   1HB   GLU  13          1HB       GLU  13  -5.771  -5.864  -1.043
  104   2HB   GLU  13          2HB       GLU  13  -4.819  -7.186  -0.381
  105   1HG   GLU  13          1HG       GLU  13  -4.874  -6.115   1.820
  106   2HG   GLU  13          2HG       GLU  13  -5.854  -4.812   1.151
  107    H    ALA  14           H        ALA  14  -3.293  -5.434  -3.084
  108    HA   ALA  14           HA       ALA  14  -1.621  -7.812  -2.981
  109   1HB   ALA  14          1HB       ALA  14  -2.777  -6.223  -5.259
  110   2HB   ALA  14          2HB       ALA  14  -1.664  -7.573  -5.491
  111   3HB   ALA  14          3HB       ALA  14  -3.227  -7.842  -4.719
  112    H    GLU  15           H        GLU  15  -1.365  -4.380  -3.728
  113    HA   GLU  15           HA       GLU  15   1.414  -4.607  -4.506
  114   1HB   GLU  15          1HB       GLU  15  -0.144  -2.970  -5.565
  115   2HB   GLU  15          2HB       GLU  15  -0.228  -2.116  -4.031
  116   1HG   GLU  15          1HG       GLU  15   1.341  -0.898  -5.185
  117   2HG   GLU  15          2HG       GLU  15   2.346  -1.992  -4.235
  118    H    ASN  16           H        ASN  16  -0.371  -2.935  -1.910
  119    HA   ASN  16           HA       ASN  16   1.722  -1.950  -0.442
  120   1HB   ASN  16          1HB       ASN  16  -0.592  -1.460   0.110
  121   2HB   ASN  16          2HB       ASN  16  -0.872  -3.135   0.573
  122   1HD2  ASN  16          2HD2      ASN  16  -1.588  -2.256   2.592
  123   2HD2  ASN  16          1HD2      ASN  16  -0.435  -1.818   3.802
  124    H    TYR  17           H        TYR  17   0.576  -5.257  -0.605
  125    HA   TYR  17           HA       TYR  17   2.223  -6.149   1.589
  126   1HB   TYR  17          1HB       TYR  17   0.130  -7.293   1.203
  127   2HB   TYR  17          2HB       TYR  17   0.585  -7.656  -0.459
  128    HD1  TYR  17           HD1      TYR  17   2.410  -9.304  -0.898
  129    HD2  TYR  17           HD2      TYR  17   0.826  -8.681   3.001
  130    HE1  TYR  17           HE1      TYR  17   3.375 -11.445  -0.171
  131    HE2  TYR  17           HE2      TYR  17   1.788 -10.820   3.740
  132    HH   TYR  17           HH       TYR  17   4.048 -12.571   1.847
  133    H    GLN  18           H        GLN  18   2.289  -6.379  -1.946
  134    HA   GLN  18           HA       GLN  18   4.514  -8.038  -2.208
  135   1HB   GLN  18          1HB       GLN  18   2.878  -6.435  -3.917
  136   2HB   GLN  18          2HB       GLN  18   4.563  -6.145  -4.328
  137   1HG   GLN  18          1HG       GLN  18   4.223  -8.936  -3.989
  138   2HG   GLN  18          2HG       GLN  18   2.915  -8.348  -5.013
  139   1HE2  GLN  18          2HE2      GLN  18   3.410  -8.679  -7.053
  140   2HE2  GLN  18          1HE2      GLN  18   4.946  -8.394  -7.790
  141    H    LEU  19           H        LEU  19   4.303  -4.640  -1.461
  142    HA   LEU  19           HA       LEU  19   7.148  -4.222  -1.888
  143   1HB   LEU  19          1HB       LEU  19   5.066  -2.343  -0.783
  144   2HB   LEU  19          2HB       LEU  19   6.700  -1.912  -1.246
  145    HG   LEU  19           HG       LEU  19   4.737  -3.043  -3.226
  146   1HD1  LEU  19          1HD1      LEU  19   4.886  -0.338  -2.070
  147   2HD1  LEU  19          2HD1      LEU  19   4.795  -0.422  -3.829
  148   3HD1  LEU  19          3HD1      LEU  19   3.540  -1.174  -2.845
  149   1HD2  LEU  19          1HD2      LEU  19   7.400  -2.727  -3.438
  150   2HD2  LEU  19          2HD2      LEU  19   6.288  -2.589  -4.800
  151   3HD2  LEU  19          3HD2      LEU  19   6.858  -1.138  -3.976
  152    H    GLU  20           H        GLU  20   4.843  -4.238   0.815
  153    HA   GLU  20           HA       GLU  20   6.466  -3.535   2.906
  154   1HB   GLU  20          1HB       GLU  20   3.957  -4.259   2.838
  155   2HB   GLU  20          2HB       GLU  20   4.592  -5.851   3.232
  156   1HG   GLU  20          1HG       GLU  20   5.861  -4.229   5.043
  157   2HG   GLU  20          2HG       GLU  20   4.264  -3.495   4.908
  158    H    GLN  21           H        GLN  21   6.507  -6.503   1.088
  159    HA   GLN  21           HA       GLN  21   8.283  -7.804   2.994
  160   1HB   GLN  21          1HB       GLN  21   6.376  -8.909   1.577
  161   2HB   GLN  21          2HB       GLN  21   7.597  -8.943   0.312
  162   1HG   GLN  21          1HG       GLN  21   8.222 -10.036   3.016
  163   2HG   GLN  21          2HG       GLN  21   7.284 -10.990   1.868
  164   1HE2  GLN  21          2HE2      GLN  21   8.315 -10.926  -0.419
  165   2HE2  GLN  21          1HE2      GLN  21  10.010 -11.257  -0.463
  166    H    GLU  22           H        GLU  22   8.388  -6.183  -0.096
  167    HA   GLU  22           HA       GLU  22  11.102  -7.014  -0.653
  168   1HB   GLU  22          1HB       GLU  22   9.488  -6.635  -2.480
  169   2HB   GLU  22          2HB       GLU  22   9.384  -4.940  -2.026
  170   1HG   GLU  22          1HG       GLU  22  11.346  -4.418  -2.992
  171   2HG   GLU  22          2HG       GLU  22  12.094  -5.952  -2.555
  172    H    VAL  23           H        VAL  23   9.518  -4.425   0.978
  173    HA   VAL  23           HA       VAL  23  11.802  -2.644   0.848
  174    HB   VAL  23           HB       VAL  23   9.363  -2.313   2.588
  175   1HG1  VAL  23          1HG1      VAL  23  11.677  -0.874   2.489
  176   2HG1  VAL  23          2HG1      VAL  23  10.645   0.021   1.374
  177   3HG1  VAL  23          3HG1      VAL  23  10.120  -0.252   3.035
  178   1HG2  VAL  23          1HG2      VAL  23   9.450  -2.387  -0.258
  179   2HG2  VAL  23          2HG2      VAL  23   8.085  -2.015   0.795
  180   3HG2  VAL  23          3HG2      VAL  23   9.154  -0.724   0.249
  181    H    ALA  24           H        ALA  24  10.368  -4.940   3.052
  182    HA   ALA  24           HA       ALA  24  11.620  -4.174   5.433
  183   1HB   ALA  24          1HB       ALA  24   9.827  -6.074   4.780
  184   2HB   ALA  24          2HB       ALA  24  11.268  -7.068   4.999
  185   3HB   ALA  24          3HB       ALA  24  10.700  -6.037   6.312
  186    H    GLN  25           H        GLN  25  12.825  -5.933   2.672
  187    HA   GLN  25           HA       GLN  25  15.239  -6.748   4.074
  188   1HB   GLN  25          1HB       GLN  25  14.092  -7.276   1.359
  189   2HB   GLN  25          2HB       GLN  25  15.804  -7.556   1.647
  190   1HG   GLN  25          1HG       GLN  25  13.835  -8.727   3.541
  191   2HG   GLN  25          2HG       GLN  25  14.029  -9.465   1.951
  192   1HE2  GLN  25          2HE2      GLN  25  15.419  -8.947   5.051
  193   2HE2  GLN  25          1HE2      GLN  25  16.813  -9.945   4.837
  194    H    LEU  26           H        LEU  26  14.238  -4.485   1.556
  195    HA   LEU  26           HA       LEU  26  16.748  -3.626   0.707
  196   1HB   LEU  26          1HB       LEU  26  14.091  -2.226   0.861
  197   2HB   LEU  26          2HB       LEU  26  15.512  -1.446   0.194
  198    HG   LEU  26           HG       LEU  26  14.363  -4.030  -0.856
  199   1HD1  LEU  26          1HD1      LEU  26  13.090  -1.672  -1.037
  200   2HD1  LEU  26          2HD1      LEU  26  14.162  -1.547  -2.431
  201   3HD1  LEU  26          3HD1      LEU  26  13.045  -2.904  -2.299
  202   1HD2  LEU  26          1HD2      LEU  26  16.486  -2.153  -1.878
  203   2HD2  LEU  26          2HD2      LEU  26  16.694  -3.826  -1.362
  204   3HD2  LEU  26          3HD2      LEU  26  15.778  -3.462  -2.824
  205    H    GLU  27           H        GLU  27  14.631  -1.804   2.928
  206    HA   GLU  27           HA       GLU  27  16.952  -0.412   3.986
  207   1HB   GLU  27          1HB       GLU  27  15.309   0.946   5.209
  208   2HB   GLU  27          2HB       GLU  27  14.950   0.885   3.490
  209   1HG   GLU  27          1HG       GLU  27  13.039  -0.307   3.786
  210   2HG   GLU  27          2HG       GLU  27  13.630  -1.109   5.238
  211    H    HIS  28           H        HIS  28  17.465  -2.834   4.707
  212    HA   HIS  28           HA       HIS  28  16.216  -3.610   7.183
  213   1HB   HIS  28          1HB       HIS  28  17.214  -5.187   5.434
  214   2HB   HIS  28          2HB       HIS  28  18.788  -4.719   6.069
  215    HD1  HIS  28           HD1      HIS  28  18.081  -7.633   6.327
  216    HD2  HIS  28           HD2      HIS  28  17.053  -4.808   9.194
  217    HE1  HIS  28           HE1      HIS  28  17.728  -8.906   8.483
  218    H    GLU  29           H        GLU  29  19.630  -2.927   6.397
  219    HA   GLU  29           HA       GLU  29  20.184  -2.284   9.154
  220   1HB   GLU  29          1HB       GLU  29  21.771  -2.650   6.674
  221   2HB   GLU  29          2HB       GLU  29  22.459  -1.596   7.901
  222   1HG   GLU  29          1HG       GLU  29  21.491  -4.367   8.521
  223   2HG   GLU  29          2HG       GLU  29  23.131  -4.034   7.966
  224    H    GLY  30           H        GLY  30  19.615  -0.563   6.167
  225   1HA   GLY  30          1HA       GLY  30  20.653   1.945   6.846
  226   2HA   GLY  30          2HA       GLY  30  19.332   1.671   5.721
  227   1HN   NH2  31          1HN       NH2  31  18.701   3.795   6.683
  228   2HN   NH2  31          2HN       NH2  31  17.713   3.766   8.099
  229   1H    ACE   0          1H        ACE   0 -17.974  -6.087   4.289
  230   2H    ACE   0          2H        ACE   0 -17.939  -4.812   5.506
  231   3H    ACE   0          3H        ACE   0 -16.602  -4.983   4.369
  232    H    GLU   1           H        GLU   1 -19.358  -3.260   5.032
  233    HA   GLU   1           HA       GLU   1 -20.168  -2.772   2.297
  234   1HB   GLU   1          1HB       GLU   1 -21.083  -1.244   4.728
  235   2HB   GLU   1          2HB       GLU   1 -21.922  -1.450   3.198
  236   1HG   GLU   1          1HG       GLU   1 -22.899  -3.321   3.876
  237   2HG   GLU   1          2HG       GLU   1 -21.380  -3.992   4.467
  238    H    VAL   2           H        VAL   2 -20.772  -0.046   2.425
  239    HA   VAL   2           HA       VAL   2 -18.628   1.181   1.324
  240    HB   VAL   2           HB       VAL   2 -19.664   3.366   2.447
  241   1HG1  VAL   2          1HG1      VAL   2 -20.826   1.678   0.248
  242   2HG1  VAL   2          2HG1      VAL   2 -21.388   3.311   0.603
  243   3HG1  VAL   2          3HG1      VAL   2 -19.717   3.041   0.109
  244   1HG2  VAL   2          1HG2      VAL   2 -21.138   1.529   3.778
  245   2HG2  VAL   2          2HG2      VAL   2 -21.684   3.169   3.431
  246   3HG2  VAL   2          3HG2      VAL   2 -22.180   1.835   2.389
  247    H    GLN   3           H        GLN   3 -19.482   2.532   4.446
  248    HA   GLN   3           HA       GLN   3 -16.942   3.429   5.069
  249   1HB   GLN   3          1HB       GLN   3 -19.029   2.634   7.100
  250   2HB   GLN   3          2HB       GLN   3 -17.751   3.827   7.295
  251   1HG   GLN   3          1HG       GLN   3 -18.866   5.076   5.370
  252   2HG   GLN   3          2HG       GLN   3 -20.241   4.007   5.640
  253   1HE2  GLN   3          2HE2      GLN   3 -21.636   5.564   6.342
  254   2HE2  GLN   3          1HE2      GLN   3 -21.444   6.416   7.832
  255    H    ALA   4           H        ALA   4 -18.323   0.269   5.487
  256    HA   ALA   4           HA       ALA   4 -16.498  -0.686   7.441
  257   1HB   ALA   4          1HB       ALA   4 -18.787  -1.656   6.293
  258   2HB   ALA   4          2HB       ALA   4 -17.544  -2.715   5.625
  259   3HB   ALA   4          3HB       ALA   4 -17.719  -2.555   7.372
  260    H    LEU   5           H        LEU   5 -16.336  -0.346   3.985
  261    HA   LEU   5           HA       LEU   5 -13.749  -1.765   3.965
  262   1HB   LEU   5          1HB       LEU   5 -15.911  -1.421   1.956
  263   2HB   LEU   5          2HB       LEU   5 -14.267  -1.461   1.359
  264    HG   LEU   5           HG       LEU   5 -15.395  -3.631   3.116
  265   1HD1  LEU   5          1HD1      LEU   5 -16.639  -3.196   0.893
  266   2HD1  LEU   5          2HD1      LEU   5 -15.188  -3.861   0.141
  267   3HD1  LEU   5          3HD1      LEU   5 -16.120  -4.837   1.276
  268   1HD2  LEU   5          1HD2      LEU   5 -12.817  -3.058   2.100
  269   2HD2  LEU   5          2HD2      LEU   5 -13.348  -4.475   3.004
  270   3HD2  LEU   5          3HD2      LEU   5 -13.421  -4.475   1.243
  271    H    LYS   6           H        LYS   6 -15.491   1.029   2.806
  272    HA   LYS   6           HA       LYS   6 -13.634   2.488   1.469
  273   1HB   LYS   6          1HB       LYS   6 -15.856   3.281   1.600
  274   2HB   LYS   6          2HB       LYS   6 -15.835   3.268   3.354
  275   1HG   LYS   6          1HG       LYS   6 -15.005   5.341   3.473
  276   2HG   LYS   6          2HG       LYS   6 -13.841   5.051   2.179
  277   1HD   LYS   6          1HD       LYS   6 -15.309   6.727   1.382
  278   2HD   LYS   6          2HD       LYS   6 -15.782   5.234   0.568
  279   1HE   LYS   6          1HE       LYS   6 -17.855   5.749   1.239
  280   2HE   LYS   6          2HE       LYS   6 -17.327   5.171   2.819
  281   1HZ   LYS   6          1HZ       LYS   6 -16.719   7.946   2.205
  282   2HZ   LYS   6          2HZ       LYS   6 -18.357   7.582   2.416
  283   3HZ   LYS   6          3HZ       LYS   6 -17.251   7.246   3.651
  284    H    LYS   7           H        LYS   7 -13.845   1.995   4.941
  285    HA   LYS   7           HA       LYS   7 -11.766   3.960   5.461
  286   1HB   LYS   7          1HB       LYS   7 -13.734   2.470   7.069
  287   2HB   LYS   7          2HB       LYS   7 -12.185   2.737   7.856
  288   1HG   LYS   7          1HG       LYS   7 -12.958   4.728   8.449
  289   2HG   LYS   7          2HG       LYS   7 -12.801   5.199   6.755
  290   1HD   LYS   7          1HD       LYS   7 -15.252   3.712   7.379
  291   2HD   LYS   7          2HD       LYS   7 -15.119   5.272   8.194
  292   1HE   LYS   7          1HE       LYS   7 -14.376   6.025   5.748
  293   2HE   LYS   7          2HE       LYS   7 -15.380   4.644   5.307
  294   1HZ   LYS   7          1HZ       LYS   7 -16.962   5.873   7.057
  295   2HZ   LYS   7          2HZ       LYS   7 -16.144   7.212   6.424
  296   3HZ   LYS   7          3HZ       LYS   7 -17.003   6.180   5.394
  297    H    ARG   8           H        ARG   8 -11.986   0.584   4.869
  298    HA   ARG   8           HA       ARG   8  -9.591  -0.092   6.317
  299   1HB   ARG   8          1HB       ARG   8  -9.990  -2.298   5.731
  300   2HB   ARG   8          2HB       ARG   8 -11.608  -1.623   5.799
  301   1HG   ARG   8          1HG       ARG   8 -11.978  -2.350   3.746
  302   2HG   ARG   8          2HG       ARG   8 -10.701  -1.293   3.146
  303   1HD   ARG   8          1HD       ARG   8  -9.534  -3.102   2.594
  304   2HD   ARG   8          2HD       ARG   8  -9.406  -3.499   4.305
  305    HE   ARG   8           HE       ARG   8 -11.150  -4.722   2.354
  306   1HH1  ARG   8          1HH1      ARG   8 -10.511  -4.209   5.749
  307   2HH1  ARG   8          2HH1      ARG   8 -11.405  -5.602   6.254
  308   1HH2  ARG   8          1HH2      ARG   8 -12.326  -6.554   3.020
  309   2HH2  ARG   8          2HH2      ARG   8 -12.435  -6.934   4.706
  310    H    VAL   9           H        VAL   9 -10.374   0.968   3.110
  311    HA   VAL   9           HA       VAL   9  -8.087   0.009   1.764
  312    HB   VAL   9           HB       VAL   9  -9.705   2.485   1.144
  313   1HG1  VAL   9          1HG1      VAL   9  -7.311   1.887   0.072
  314   2HG1  VAL   9          2HG1      VAL   9  -8.362   0.957  -0.995
  315   3HG1  VAL   9          3HG1      VAL   9  -8.600   2.695  -0.817
  316   1HG2  VAL   9          1HG2      VAL   9 -10.826   0.129   1.287
  317   2HG2  VAL   9          2HG2      VAL   9 -11.174   1.194  -0.074
  318   3HG2  VAL   9          3HG2      VAL   9 -10.023  -0.129  -0.261
  319    H    GLN  10           H        GLN  10  -8.718   2.974   3.573
  320    HA   GLN  10           HA       GLN  10  -6.390   4.369   2.907
  321   1HB   GLN  10          1HB       GLN  10  -6.780   5.674   4.932
  322   2HB   GLN  10          2HB       GLN  10  -8.287   5.398   4.068
  323   1HG   GLN  10          1HG       GLN  10  -9.192   4.515   5.877
  324   2HG   GLN  10          2HG       GLN  10  -7.925   3.291   5.942
  325   1HE2  GLN  10          2HE2      GLN  10  -6.756   3.262   7.715
  326   2HE2  GLN  10          1HE2      GLN  10  -6.511   4.584   8.800
  327    H    ALA  11           H        ALA  11  -6.798   1.567   4.839
  328    HA   ALA  11           HA       ALA  11  -4.331   1.965   6.321
  329   1HB   ALA  11          1HB       ALA  11  -6.575   0.033   6.419
  330   2HB   ALA  11          2HB       ALA  11  -4.999  -0.521   6.987
  331   3HB   ALA  11          3HB       ALA  11  -5.756   0.893   7.724
  332    H    LEU  12           H        LEU  12  -4.688   1.354   3.238
  333    HA   LEU  12           HA       LEU  12  -2.600  -0.726   3.185
  334   1HB   LEU  12          1HB       LEU  12  -4.291  -0.288   0.781
  335   2HB   LEU  12          2HB       LEU  12  -3.518  -1.752   1.351
  336    HG   LEU  12           HG       LEU  12  -5.856  -0.618   2.846
  337   1HD1  LEU  12          1HD1      LEU  12  -5.998  -2.396   0.417
  338   2HD1  LEU  12          2HD1      LEU  12  -7.343  -2.013   1.490
  339   3HD1  LEU  12          3HD1      LEU  12  -6.588  -0.739   0.534
  340   1HD2  LEU  12          1HD2      LEU  12  -4.443  -2.469   3.768
  341   2HD2  LEU  12          2HD2      LEU  12  -6.149  -2.868   3.573
  342   3HD2  LEU  12          3HD2      LEU  12  -4.966  -3.461   2.407
  343    H    LYS  13           H        LYS  13  -3.960   2.003   1.367
  344    HA   LYS  13           HA       LYS  13  -1.545   2.401  -0.136
  345   1HB   LYS  13          1HB       LYS  13  -2.717   4.404  -1.015
  346   2HB   LYS  13          2HB       LYS  13  -3.643   2.921  -1.190
  347   1HG   LYS  13          1HG       LYS  13  -5.310   4.186  -0.376
  348   2HG   LYS  13          2HG       LYS  13  -4.582   3.784   1.182
  349   1HD   LYS  13          1HD       LYS  13  -4.003   5.903   1.553
  350   2HD   LYS  13          2HD       LYS  13  -3.283   6.052  -0.051
  351   1HE   LYS  13          1HE       LYS  13  -5.789   6.169  -0.819
  352   2HE   LYS  13          2HE       LYS  13  -6.061   6.660   0.853
  353   1HZ   LYS  13          1HZ       LYS  13  -3.913   8.010  -0.585
  354   2HZ   LYS  13          2HZ       LYS  13  -5.493   8.381  -1.059
  355   3HZ   LYS  13          3HZ       LYS  13  -5.013   8.623   0.545
  356    H    ALA  14           H        ALA  14  -2.793   3.533   2.873
  357    HA   ALA  14           HA       ALA  14  -1.546   6.013   3.110
  358   1HB   ALA  14          1HB       ALA  14  -2.331   3.943   5.133
  359   2HB   ALA  14          2HB       ALA  14  -1.552   5.451   5.610
  360   3HB   ALA  14          3HB       ALA  14  -3.102   5.487   4.769
  361    H    ARG  15           H        ARG  15  -0.334   2.832   4.175
  362    HA   ARG  15           HA       ARG  15   2.294   3.953   4.676
  363   1HB   ARG  15          1HB       ARG  15   1.391   2.294   6.229
  364   2HB   ARG  15          2HB       ARG  15   1.261   1.122   4.924
  365   1HG   ARG  15          1HG       ARG  15   3.199   0.615   6.231
  366   2HG   ARG  15          2HG       ARG  15   3.722   1.217   4.657
  367   1HD   ARG  15          1HD       ARG  15   4.295   3.334   5.560
  368   2HD   ARG  15          2HD       ARG  15   3.486   2.978   7.085
  369    HE   ARG  15           HE       ARG  15   5.399   1.059   6.904
  370   1HH1  ARG  15          1HH1      ARG  15   5.446   4.545   6.727
  371   2HH1  ARG  15          2HH1      ARG  15   7.048   4.680   7.370
  372   1HH2  ARG  15          1HH2      ARG  15   7.504   1.236   7.752
  373   2HH2  ARG  15          2HH2      ARG  15   8.217   2.802   7.953
  374    H    ASN  16           H        ASN  16   0.697   1.909   2.318
  375    HA   ASN  16           HA       ASN  16   2.977   0.928   1.003
  376   1HB   ASN  16          1HB       ASN  16   0.832  -0.081   0.604
  377   2HB   ASN  16          2HB       ASN  16   0.169   1.431   0.005
  378   1HD2  ASN  16          2HD2      ASN  16  -0.404  -0.050  -1.792
  379   2HD2  ASN  16          1HD2      ASN  16   0.747  -0.252  -3.066
  380    H    TYR  17           H        TYR  17   1.021   3.833   0.427
  381    HA   TYR  17           HA       TYR  17   2.240   4.731  -1.896
  382   1HB   TYR  17          1HB       TYR  17   0.225   5.771  -1.012
  383   2HB   TYR  17          2HB       TYR  17   1.109   6.351   0.395
  384    HD1  TYR  17           HD1      TYR  17   0.643   6.767  -3.238
  385    HD2  TYR  17           HD2      TYR  17   2.452   8.327   0.282
  386    HE1  TYR  17           HE1      TYR  17   1.176   8.845  -4.439
  387    HE2  TYR  17           HE2      TYR  17   2.988  10.411  -0.908
  388    HH   TYR  17           HH       TYR  17   2.866  10.709  -4.236
  389    H    ALA  18           H        ALA  18   3.382   4.830   1.396
  390    HA   ALA  18           HA       ALA  18   5.458   6.744   0.910
  391   1HB   ALA  18          1HB       ALA  18   5.019   4.814   3.185
  392   2HB   ALA  18          2HB       ALA  18   6.288   6.039   3.143
  393   3HB   ALA  18          3HB       ALA  18   4.593   6.524   3.141
  394    H    LEU  19           H        LEU  19   5.415   3.204   1.359
  395    HA   LEU  19           HA       LEU  19   8.170   2.835   0.923
  396   1HB   LEU  19          1HB       LEU  19   6.307   0.707   0.021
  397   2HB   LEU  19          2HB       LEU  19   7.779   0.581   0.957
  398    HG   LEU  19           HG       LEU  19   5.058   1.395   1.965
  399   1HD1  LEU  19          1HD1      LEU  19   5.424  -1.010   1.630
  400   2HD1  LEU  19          2HD1      LEU  19   6.843  -0.925   2.674
  401   3HD1  LEU  19          3HD1      LEU  19   5.242  -0.591   3.334
  402   1HD2  LEU  19          1HD2      LEU  19   7.768   1.602   3.217
  403   2HD2  LEU  19          2HD2      LEU  19   6.450   2.774   3.209
  404   3HD2  LEU  19          3HD2      LEU  19   6.336   1.326   4.210
  405    H    LYS  20           H        LYS  20   5.425   2.347  -1.287
  406    HA   LYS  20           HA       LYS  20   6.648   1.667  -3.606
  407   1HB   LYS  20          1HB       LYS  20   4.137   2.428  -2.944
  408   2HB   LYS  20          2HB       LYS  20   4.631   3.797  -3.929
  409   1HG   LYS  20          1HG       LYS  20   4.458   2.634  -5.820
  410   2HG   LYS  20          2HG       LYS  20   5.316   1.249  -5.144
  411   1HD   LYS  20          1HD       LYS  20   3.346   0.193  -5.239
  412   2HD   LYS  20          2HD       LYS  20   2.903   1.164  -3.835
  413   1HE   LYS  20          1HE       LYS  20   2.470   2.047  -6.681
  414   2HE   LYS  20          2HE       LYS  20   1.254   1.198  -5.728
  415   1HZ   LYS  20          1HZ       LYS  20   2.485   3.629  -4.631
  416   2HZ   LYS  20          2HZ       LYS  20   1.288   3.783  -5.816
  417   3HZ   LYS  20          3HZ       LYS  20   0.942   2.991  -4.361
  418    H    GLN  21           H        GLN  21   6.732   4.793  -2.074
  419    HA   GLN  21           HA       GLN  21   7.881   6.104  -4.379
  420   1HB   GLN  21          1HB       GLN  21   6.364   7.335  -2.922
  421   2HB   GLN  21          2HB       GLN  21   7.437   7.072  -1.555
  422   1HG   GLN  21          1HG       GLN  21   8.282   9.067  -2.048
  423   2HG   GLN  21          2HG       GLN  21   9.095   8.252  -3.383
  424   1HE2  GLN  21          2HE2      GLN  21   8.783   9.069  -5.323
  425   2HE2  GLN  21          1HE2      GLN  21   7.464  10.076  -5.803
  426    H    LYS  22           H        LYS  22   8.982   4.945  -1.220
  427    HA   LYS  22           HA       LYS  22  11.685   5.868  -1.748
  428   1HB   LYS  22          1HB       LYS  22  12.171   5.025   0.519
  429   2HB   LYS  22          2HB       LYS  22  10.833   6.167   0.487
  430   1HG   LYS  22          1HG       LYS  22   9.545   4.693   1.510
  431   2HG   LYS  22          2HG       LYS  22   9.754   3.573   0.161
  432   1HD   LYS  22          1HD       LYS  22  10.584   2.280   1.849
  433   2HD   LYS  22          2HD       LYS  22  12.062   3.115   1.371
  434   1HE   LYS  22          1HE       LYS  22  12.125   3.414   3.643
  435   2HE   LYS  22          2HE       LYS  22  11.270   4.875   3.147
  436   1HZ   LYS  22          1HZ       LYS  22   9.196   3.354   3.501
  437   2HZ   LYS  22          2HZ       LYS  22  10.242   2.492   4.514
  438   3HZ   LYS  22          3HZ       LYS  22   9.928   4.126   4.816
  439    H    VAL  23           H        VAL  23   9.950   3.052  -2.458
  440    HA   VAL  23           HA       VAL  23  11.537   0.920  -1.892
  441    HB   VAL  23           HB       VAL  23  10.433   1.302  -4.673
  442   1HG1  VAL  23          1HG1      VAL  23  11.913  -0.723  -3.758
  443   2HG1  VAL  23          2HG1      VAL  23  10.328  -1.273  -3.214
  444   3HG1  VAL  23          3HG1      VAL  23  10.609  -0.948  -4.925
  445   1HG2  VAL  23          1HG2      VAL  23   9.029   0.802  -2.090
  446   2HG2  VAL  23          2HG2      VAL  23   8.553   1.802  -3.460
  447   3HG2  VAL  23          3HG2      VAL  23   8.426   0.048  -3.566
  448    H    GLN  24           H        GLN  24  11.952   2.981  -4.775
  449    HA   GLN  24           HA       GLN  24  14.370   1.753  -5.595
  450   1HB   GLN  24          1HB       GLN  24  14.600   3.846  -7.012
  451   2HB   GLN  24          2HB       GLN  24  13.143   2.896  -7.262
  452   1HG   GLN  24          1HG       GLN  24  11.781   4.477  -6.319
  453   2HG   GLN  24          2HG       GLN  24  13.069   5.149  -5.321
  454   1HE2  GLN  24          2HE2      GLN  24  14.641   6.498  -6.328
  455   2HE2  GLN  24          1HE2      GLN  24  14.253   7.370  -7.767
  456    H    ALA  25           H        ALA  25  13.621   4.483  -3.527
  457    HA   ALA  25           HA       ALA  25  16.193   5.608  -3.374
  458   1HB   ALA  25          1HB       ALA  25  13.708   5.769  -1.773
  459   2HB   ALA  25          2HB       ALA  25  15.202   6.293  -0.996
  460   3HB   ALA  25          3HB       ALA  25  14.677   7.051  -2.499
  461    H    LEU  26           H        LEU  26  14.750   2.854  -1.795
  462    HA   LEU  26           HA       LEU  26  16.756   2.628   0.242
  463   1HB   LEU  26          1HB       LEU  26  14.749   0.603  -0.753
  464   2HB   LEU  26          2HB       LEU  26  15.729   0.435   0.692
  465    HG   LEU  26           HG       LEU  26  13.513   2.418   0.213
  466   1HD1  LEU  26          1HD1      LEU  26  13.871  -0.002   1.931
  467   2HD1  LEU  26          2HD1      LEU  26  12.748   1.275   2.398
  468   3HD1  LEU  26          3HD1      LEU  26  12.532   0.426   0.867
  469   1HD2  LEU  26          1HD2      LEU  26  15.729   2.412   2.185
  470   2HD2  LEU  26          2HD2      LEU  26  14.865   3.765   1.453
  471   3HD2  LEU  26          3HD2      LEU  26  14.118   2.847   2.761
  472    H    ARG  27           H        ARG  27  15.965   0.582  -2.577
  473    HA   ARG  27           HA       ARG  27  18.246  -1.020  -2.461
  474   1HB   ARG  27          1HB       ARG  27  17.787  -1.469  -4.887
  475   2HB   ARG  27          2HB       ARG  27  16.407  -1.706  -3.824
  476   1HG   ARG  27          1HG       ARG  27  16.037   0.870  -4.540
  477   2HG   ARG  27          2HG       ARG  27  16.818   0.234  -5.989
  478   1HD   ARG  27          1HD       ARG  27  15.024  -1.731  -5.445
  479   2HD   ARG  27          2HD       ARG  27  14.151  -0.306  -4.882
  480    HE   ARG  27           HE       ARG  27  15.016   0.466  -7.309
  481   1HH1  ARG  27          1HH1      ARG  27  13.333  -2.393  -6.222
  482   2HH1  ARG  27          2HH1      ARG  27  12.511  -2.632  -7.728
  483   1HH2  ARG  27          1HH2      ARG  27  13.937   0.151  -9.288
  484   2HH2  ARG  27          2HH2      ARG  27  12.855  -1.188  -9.468
  485    H    HIS  28           H        HIS  28  17.713   2.097  -4.008
  486    HA   HIS  28           HA       HIS  28  20.250   2.126  -5.343
  487   1HB   HIS  28          1HB       HIS  28  18.188   4.269  -4.816
  488   2HB   HIS  28          2HB       HIS  28  19.680   4.570  -5.701
  489    HD1  HIS  28           HD1      HIS  28  18.446   1.264  -6.534
  490    HD2  HIS  28           HD2      HIS  28  17.666   5.156  -7.761
  491    HE1  HIS  28           HE1      HIS  28  17.263   1.082  -8.762
  492    H    LYS  29           H        LYS  29  19.022   4.444  -2.936
  493    HA   LYS  29           HA       LYS  29  21.679   5.093  -2.083
  494   1HB   LYS  29          1HB       LYS  29  19.294   6.416  -2.032
  495   2HB   LYS  29          2HB       LYS  29  19.440   5.914  -0.353
  496   1HG   LYS  29          1HG       LYS  29  21.676   7.311  -1.780
  497   2HG   LYS  29          2HG       LYS  29  20.368   8.197  -0.993
  498   1HD   LYS  29          1HD       LYS  29  21.021   6.536   1.000
  499   2HD   LYS  29          2HD       LYS  29  22.585   6.627   0.186
  500   1HE   LYS  29          1HE       LYS  29  22.703   8.374   1.702
  501   2HE   LYS  29          2HE       LYS  29  22.185   9.182   0.224
  502   1HZ   LYS  29          1HZ       LYS  29  20.070   8.204   1.965
  503   2HZ   LYS  29          2HZ       LYS  29  20.973   9.507   2.556
  504   3HZ   LYS  29          3HZ       LYS  29  20.165   9.642   1.076
  505    H    GLY  30           H        GLY  30  22.772   4.447  -0.297
  506   1HA   GLY  30          1HA       GLY  30  21.688   2.137   1.120
  507   2HA   GLY  30          2HA       GLY  30  23.355   2.689   1.154
  508   1HN   NH2  31          1HN       NH2  31  22.672   2.082   3.505
  509   2HN   NH2  31          2HN       NH2  31  22.175   3.419   4.480