*HEADER    TRANSFERASE                             21-JUL-05   2AE9              
*TITLE     SOLUTION STRUCTURE OF THE THETA SUBUNIT OF DNA POLYMERASE             
*TITLE    2 III FROM E. COLI                                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DNA POLYMERASE III, THETA SUBUNIT;                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 EC: 2.7.7.7;                                                         
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 GENE: HOLE;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA                                   
*KEYWDS    ALL HELICAL, 3 HELICES                                                
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    G.A.MUELLER, T.W.KIRBY, E.F.DEROSE, D.LI, R.M.SCHAAPER,               
*AUTHOR   2 R.E.LONDON                                                           
*REVDAT   1   18-OCT-05 2AE9    0                                                



Residue D 9 DATABASE
assign (resid 8 and name C  )(resid 9 and name N  )
       (resid 9 and name CA )(resid 9 and name C  ) 1.0 -100.00 32.00 2
assign (resid 9 and name N  )(resid 9 and name CA )
       (resid 9 and name C  )(resid 10 and name N  ) 1.0 12.00 22.00 2

! Residue T 11 DATABASE
assign (resid 10 and name C  )(resid 11 and name N  )
       (resid 11 and name CA )(resid 11 and name C  ) 1.0 -68.00 16.00 2
assign (resid 11 and name N  )(resid 11 and name CA )
       (resid 11 and name C  )(resid 12 and name N  ) 1.0 -32.00 34.00 2

! Residue E 12 DATABASE
assign (resid 11 and name C  )(resid 12 and name N  )
       (resid 12 and name CA )(resid 12 and name C  ) 1.0 -63.00 15.00 2
assign (resid 12 and name N  )(resid 12 and name CA )
       (resid 12 and name C  )(resid 13 and name N  ) 1.0 -46.00 18.00 2

! Residue M 13 DATABASE
assign (resid 12 and name C  )(resid 13 and name N  )
       (resid 13 and name CA )(resid 13 and name C  ) 1.0 -61.00 15.00 2
assign (resid 13 and name N  )(resid 13 and name CA )
       (resid 13 and name C  )(resid 14 and name N  ) 1.0 -45.00 18.00 2

! Residue D 14 DATABASE
assign (resid 13 and name C  )(resid 14 and name N  )
       (resid 14 and name CA )(resid 14 and name C  ) 1.0 -64.00 16.00 2
assign (resid 14 and name N  )(resid 14 and name CA )
       (resid 14 and name C  )(resid 15 and name N  ) 1.0 -38.00 15.00 2

! Residue K 15 DATABASE
assign (resid 14 and name C  )(resid 15 and name N  )
       (resid 15 and name CA )(resid 15 and name C  ) 1.0 -69.00 15.00 2
assign (resid 15 and name N  )(resid 15 and name CA )
       (resid 15 and name C  )(resid 16 and name N  ) 1.0 -39.00 15.00 2

! Residue V 16 DATABASE
assign (resid 15 and name C  )(resid 16 and name N  )
       (resid 16 and name CA )(resid 16 and name C  ) 1.0 -69.00 16.00 2
assign (resid 16 and name N  )(resid 16 and name CA )
       (resid 16 and name C  )(resid 17 and name N  ) 1.0 -40.00 15.00 2

! Residue N 17 DATABASE
assign (resid 16 and name C  )(resid 17 and name N  )
       (resid 17 and name CA )(resid 17 and name C  ) 1.0 -63.00 15.00 2
assign (resid 17 and name N  )(resid 17 and name CA )
       (resid 17 and name C  )(resid 18 and name N  ) 1.0 -42.00 15.00 2

! Residue V 18 DATABASE
assign (resid 17 and name C  )(resid 18 and name N  )
       (resid 18 and name CA )(resid 18 and name C  ) 1.0 -73.00 22.00 2
assign (resid 18 and name N  )(resid 18 and name CA )
       (resid 18 and name C  )(resid 19 and name N  ) 1.0 -40.00 16.00 2

! Residue D 19 DATABASE
assign (resid 18 and name C  )(resid 19 and name N  )
       (resid 19 and name CA )(resid 19 and name C  ) 1.0 -65.00 15.00 2
assign (resid 19 and name N  )(resid 19 and name CA )
       (resid 19 and name C  )(resid 20 and name N  ) 1.0 -40.00 15.00 2

! Residue L 20 DATABASE
assign (resid 19 and name C  )(resid 20 and name N  )
       (resid 20 and name CA )(resid 20 and name C  ) 1.0 -65.00 15.00 2
assign (resid 20 and name N  )(resid 20 and name CA )
       (resid 20 and name C  )(resid 21 and name N  ) 1.0 -41.00 22.00 2

! Residue A 21 DATABASE
assign (resid 20 and name C  )(resid 21 and name N  )
       (resid 21 and name CA )(resid 21 and name C  ) 1.0 -65.00 18.00 2
assign (resid 21 and name N  )(resid 21 and name CA )
       (resid 21 and name C  )(resid 22 and name N  ) 1.0 -35.00 15.00 2

! Residue A 22 DATABASE
assign (resid 21 and name C  )(resid 22 and name N  )
       (resid 22 and name CA )(resid 22 and name C  ) 1.0 -69.00 15.00 2
assign (resid 22 and name N  )(resid 22 and name CA )
       (resid 22 and name C  )(resid 23 and name N  ) 1.0 -40.00 18.00 2

! Residue A 23 DATABASE
assign (resid 22 and name C  )(resid 23 and name N  )
       (resid 23 and name CA )(resid 23 and name C  ) 1.0 -68.00 15.00 2
assign (resid 23 and name N  )(resid 23 and name CA )
       (resid 23 and name C  )(resid 24 and name N  ) 1.0 -37.00 16.00 2

! Residue G 24 DATABASE
assign (resid 23 and name C  )(resid 24 and name N  )
       (resid 24 and name CA )(resid 24 and name C  ) 1.0 -67.00 15.00 2
assign (resid 24 and name N  )(resid 24 and name CA )
       (resid 24 and name C  )(resid 25 and name N  ) 1.0 -41.00 15.00 2

! Residue V 25 DATABASE
assign (resid 24 and name C  )(resid 25 and name N  )
       (resid 25 and name CA )(resid 25 and name C  ) 1.0 -67.00 20.00 2
assign (resid 25 and name N  )(resid 25 and name CA )
       (resid 25 and name C  )(resid 26 and name N  ) 1.0 -43.00 20.00 2

! Residue A 26 DATABASE
assign (resid 25 and name C  )(resid 26 and name N  )
       (resid 26 and name CA )(resid 26 and name C  ) 1.0 -64.00 15.00 2
assign (resid 26 and name N  )(resid 26 and name CA )
       (resid 26 and name C  )(resid 27 and name N  ) 1.0 -38.00 15.00 2

! Residue F 27 DATABASE
assign (resid 26 and name C  )(resid 27 and name N  )
       (resid 27 and name CA )(resid 27 and name C  ) 1.0 -65.00 15.00 2
assign (resid 27 and name N  )(resid 27 and name CA )
       (resid 27 and name C  )(resid 28 and name N  ) 1.0 -45.00 16.00 2

! Residue K 28 DATABASE
assign (resid 27 and name C  )(resid 28 and name N  )
       (resid 28 and name CA )(resid 28 and name C  ) 1.0 -65.00 16.00 2
assign (resid 28 and name N  )(resid 28 and name CA )
       (resid 28 and name C  )(resid 29 and name N  ) 1.0 -37.00 26.00 2

! Residue E 29 DATABASE
assign (resid 28 and name C  )(resid 29 and name N  )
       (resid 29 and name CA )(resid 29 and name C  ) 1.0 -65.00 15.00 2
assign (resid 29 and name N  )(resid 29 and name CA )
       (resid 29 and name C  )(resid 30 and name N  ) 1.0 -38.00 18.00 2

! Residue R 30 DATABASE
assign (resid 29 and name C  )(resid 30 and name N  )
       (resid 30 and name CA )(resid 30 and name C  ) 1.0 -68.00 20.00 2
assign (resid 30 and name N  )(resid 30 and name CA )
       (resid 30 and name C  )(resid 31 and name N  ) 1.0 -23.00 28.00 2

! Residue V 35 DATABASE
assign (resid 34 and name C  )(resid 35 and name N  )
       (resid 35 and name CA )(resid 35 and name C  ) 1.0 -101.00 62.00 2
assign (resid 35 and name N  )(resid 35 and name CA )
       (resid 35 and name C  )(resid 36 and name N  ) 1.0 124.00 56.00 2

! Residue I 36 DATABASE
assign (resid 35 and name C  )(resid 36 and name N  )
       (resid 36 and name CA )(resid 36 and name C  ) 1.0 -104.00 44.00 2
assign (resid 36 and name N  )(resid 36 and name CA )
       (resid 36 and name C  )(resid 37 and name N  ) 1.0 117.00 46.00 2

! Residue A 37 DATABASE
assign (resid 36 and name C  )(resid 37 and name N  )
       (resid 37 and name CA )(resid 37 and name C  ) 1.0 -60.00 18.00 2
assign (resid 37 and name N  )(resid 37 and name CA )
       (resid 37 and name C  )(resid 38 and name N  ) 1.0 -32.00 18.00 2

! Residue E 38 DATABASE
assign (resid 37 and name C  )(resid 38 and name N  )
       (resid 38 and name CA )(resid 38 and name C  ) 1.0 -64.00 15.00 2
assign (resid 38 and name N  )(resid 38 and name CA )
       (resid 38 and name C  )(resid 39 and name N  ) 1.0 -37.00 15.00 2

! Residue A 39 DATABASE
assign (resid 38 and name C  )(resid 39 and name N  )
       (resid 39 and name CA )(resid 39 and name C  ) 1.0 -65.00 15.00 2
assign (resid 39 and name N  )(resid 39 and name CA )
       (resid 39 and name C  )(resid 40 and name N  ) 1.0 -43.00 15.00 2

! Residue V 40 DATABASE
assign (resid 39 and name C  )(resid 40 and name N  )
       (resid 40 and name CA )(resid 40 and name C  ) 1.0 -65.00 15.00 2
assign (resid 40 and name N  )(resid 40 and name CA )
       (resid 40 and name C  )(resid 41 and name N  ) 1.0 -37.00 15.00 2

! Residue E 41 DATABASE
assign (resid 40 and name C  )(resid 41 and name N  )
       (resid 41 and name CA )(resid 41 and name C  ) 1.0 -67.00 16.00 2
assign (resid 41 and name N  )(resid 41 and name CA )
       (resid 41 and name C  )(resid 42 and name N  ) 1.0 -36.00 16.00 2

! Residue R 42 DATABASE
assign (resid 41 and name C  )(resid 42 and name N  )
       (resid 42 and name CA )(resid 42 and name C  ) 1.0 -65.00 15.00 2
assign (resid 42 and name N  )(resid 42 and name CA )
       (resid 42 and name C  )(resid 43 and name N  ) 1.0 -30.00 15.00 2

! Residue E 43 DATABASE
assign (resid 42 and name C  )(resid 43 and name N  )
       (resid 43 and name CA )(resid 43 and name C  ) 1.0 -83.00 15.00 2
assign (resid 43 and name N  )(resid 43 and name CA )
       (resid 43 and name C  )(resid 44 and name N  ) 1.0 -32.00 40.00 2

! Residue E 46 DATABASE
assign (resid 45 and name C  )(resid 46 and name N  )
       (resid 46 and name CA )(resid 46 and name C  ) 1.0 -66.00 18.00 2
assign (resid 46 and name N  )(resid 46 and name CA )
       (resid 46 and name C  )(resid 47 and name N  ) 1.0 -39.00 15.00 2

! Residue H 47 DATABASE
assign (resid 46 and name C  )(resid 47 and name N  )
       (resid 47 and name CA )(resid 47 and name C  ) 1.0 -77.00 34.00 2
assign (resid 47 and name N  )(resid 47 and name CA )
       (resid 47 and name C  )(resid 48 and name N  ) 1.0 -16.00 42.00 2

! Residue R 49 DATABASE
assign (resid 48 and name C  )(resid 49 and name N  )
       (resid 49 and name CA )(resid 49 and name C  ) 1.0 -62.00 15.00 2
assign (resid 49 and name N  )(resid 49 and name CA )
       (resid 49 and name C  )(resid 50 and name N  ) 1.0 -38.00 18.00 2

! Residue S 50 DATABASE
assign (resid 49 and name C  )(resid 50 and name N  )
       (resid 50 and name CA )(resid 50 and name C  ) 1.0 -64.00 15.00 2
assign (resid 50 and name N  )(resid 50 and name CA )
       (resid 50 and name C  )(resid 51 and name N  ) 1.0 -38.00 18.00 2

! Residue W 51 DATABASE
assign (resid 50 and name C  )(resid 51 and name N  )
       (resid 51 and name CA )(resid 51 and name C  ) 1.0 -70.00 22.00 2
assign (resid 51 and name N  )(resid 51 and name CA )
       (resid 51 and name C  )(resid 52 and name N  ) 1.0 -46.00 28.00 2

! Residue F 52 DATABASE
assign (resid 51 and name C  )(resid 52 and name N  )
       (resid 52 and name CA )(resid 52 and name C  ) 1.0 -67.00 15.00 2
assign (resid 52 and name N  )(resid 52 and name CA )
       (resid 52 and name C  )(resid 53 and name N  ) 1.0 -34.00 20.00 2

! Residue R 53 DATABASE
assign (resid 52 and name C  )(resid 53 and name N  )
       (resid 53 and name CA )(resid 53 and name C  ) 1.0 -66.00 15.00 2
assign (resid 53 and name N  )(resid 53 and name CA )
       (resid 53 and name C  )(resid 54 and name N  ) 1.0 -44.00 15.00 2

! Residue E 54 DATABASE
assign (resid 53 and name C  )(resid 54 and name N  )
       (resid 54 and name CA )(resid 54 and name C  ) 1.0 -74.00 16.00 2
assign (resid 54 and name N  )(resid 54 and name CA )
       (resid 54 and name C  )(resid 55 and name N  ) 1.0 -38.00 18.00 2

! Residue R 55 DATABASE
assign (resid 54 and name C  )(resid 55 and name N  )
       (resid 55 and name CA )(resid 55 and name C  ) 1.0 -67.00 15.00 2
assign (resid 55 and name N  )(resid 55 and name CA )
       (resid 55 and name C  )(resid 56 and name N  ) 1.0 -24.00 34.00 2

! Residue L 56 DATABASE
assign (resid 55 and name C  )(resid 56 and name N  )
       (resid 56 and name CA )(resid 56 and name C  ) 1.0 -64.00 15.00 2
assign (resid 56 and name N  )(resid 56 and name CA )
       (resid 56 and name C  )(resid 57 and name N  ) 1.0 -42.00 15.00 2

! Residue I 57 DATABASE
assign (resid 56 and name C  )(resid 57 and name N  )
       (resid 57 and name CA )(resid 57 and name C  ) 1.0 -66.00 15.00 2
assign (resid 57 and name N  )(resid 57 and name CA )
       (resid 57 and name C  )(resid 58 and name N  ) 1.0 -41.00 16.00 2

! Residue A 58 DATABASE
assign (resid 57 and name C  )(resid 58 and name N  )
       (resid 58 and name CA )(resid 58 and name C  ) 1.0 -64.00 15.00 2
assign (resid 58 and name N  )(resid 58 and name CA )
       (resid 58 and name C  )(resid 59 and name N  ) 1.0 -39.00 15.00 2

! Residue H 59 DATABASE
assign (resid 58 and name C  )(resid 59 and name N  )
       (resid 59 and name CA )(resid 59 and name C  ) 1.0 -65.00 15.00 2
assign (resid 59 and name N  )(resid 59 and name CA )
       (resid 59 and name C  )(resid 60 and name N  ) 1.0 -43.00 15.00 2

! Residue R 60 DATABASE
assign (resid 59 and name C  )(resid 60 and name N  )
       (resid 60 and name CA )(resid 60 and name C  ) 1.0 -67.00 16.00 2
assign (resid 60 and name N  )(resid 60 and name CA )
       (resid 60 and name C  )(resid 61 and name N  ) 1.0 -40.00 15.00 2

! Residue L 61 DATABASE
assign (resid 60 and name C  )(resid 61 and name N  )
       (resid 61 and name CA )(resid 61 and name C  ) 1.0 -66.00 15.00 2
assign (resid 61 and name N  )(resid 61 and name CA )
       (resid 61 and name C  )(resid 62 and name N  ) 1.0 -38.00 18.00 2

! Residue A 62 DATABASE
assign (resid 61 and name C  )(resid 62 and name N  )
       (resid 62 and name CA )(resid 62 and name C  ) 1.0 -65.00 15.00 2
assign (resid 62 and name N  )(resid 62 and name CA )
       (resid 62 and name C  )(resid 63 and name N  ) 1.0 -37.00 15.00 2

! Residue S 63 DATABASE
assign (resid 62 and name C  )(resid 63 and name N  )
       (resid 63 and name CA )(resid 63 and name C  ) 1.0 -74.00 32.00 2
assign (resid 63 and name N  )(resid 63 and name CA )
       (resid 63 and name C  )(resid 64 and name N  ) 1.0 -24.00 22.00 2

! Residue V 64 DATABASE
assign (resid 63 and name C  )(resid 64 and name N  )
       (resid 64 and name CA )(resid 64 and name C  ) 1.0 -74.00 32.00 2
assign (resid 64 and name N  )(resid 64 and name CA )
       (resid 64 and name C  )(resid 65 and name N  ) 1.0 -29.00 15.00 2

! Residue N 65 DATABASE
assign (resid 64 and name C  )(resid 65 and name N  )
       (resid 65 and name CA )(resid 65 and name C  ) 1.0 -88.00 32.00 2
assign (resid 65 and name N  )(resid 65 and name CA )
       (resid 65 and name C  )(resid 66 and name N  ) 1.0 -20.00 54.00 2

! Residue L 69 DATABASE
assign (resid 68 and name C  )(resid 69 and name N  )
       (resid 69 and name CA )(resid 69 and name C  ) 1.0 -101.00 46.00 2
assign (resid 69 and name N  )(resid 69 and name CA )
       (resid 69 and name C  )(resid 70 and name N  ) 1.0 121.00 52.00 2

! Residue E 72 DATABASE
assign (resid 71 and name C  )(resid 72 and name N  )
       (resid 72 and name CA )(resid 72 and name C  ) 1.0 -108.00 32.00 2
assign (resid 72 and name N  )(resid 72 and name CA )
       (resid 72 and name C  )(resid 73 and name N  ) 1.0 125.00 56.00 2

! Residue L 75 DATABASE
assign (resid 74 and name C  )(resid 75 and name N  )
       (resid 75 and name CA )(resid 75 and name C  ) 1.0 -87.00 48.00 2
assign (resid 75 and name N  )(resid 75 and name CA )
       (resid 75 and name C  )(resid 76 and name N  ) 1.0 129.00 38.00 2


assign (resid 11 and name o) (resid 15 and name hn) 1.95 0.1 0.1
assign (resid 11 and name o) (resid 15 and name n)  3.00 0.7 0.5

assign (resid 12 and name o) (resid 16 and name hn) 1.95 0.1 0.1
assign (resid 12 and name o) (resid 16 and name n)  3.00 0.7 0.5

assign (resid 13 and name o) (resid 17 and name hn) 1.95 0.1 0.1
assign (resid 13 and name o) (resid 17 and name n)  3.00 0.7 0.5

assign (resid 14 and name o) (resid 18 and name hn) 1.95 0.1 0.1
assign (resid 14 and name o) (resid 18 and name n)  3.00 0.7 0.5

assign (resid 15 and name o) (resid 19 and name hn) 1.95 0.1 0.1
assign (resid 15 and name o) (resid 19 and name n)  3.00 0.7 0.5

assign (resid 16 and name o) (resid 20 and name hn) 1.95 0.1 0.1
assign (resid 16 and name o) (resid 20 and name n)  3.00 0.7 0.5

assign (resid 17 and name o) (resid 21 and name hn) 1.95 0.1 0.1
assign (resid 17 and name o) (resid 21 and name n)  3.00 0.7 0.5

assign (resid 18 and name o) (resid 22 and name hn) 1.95 0.1 0.1
assign (resid 18 and name o) (resid 22 and name n)  3.00 0.7 0.5

assign (resid 19 and name o) (resid 23 and name hn) 1.95 0.1 0.1
assign (resid 19 and name o) (resid 23 and name n)  3.00 0.7 0.5

assign (resid 20 and name o) (resid 24 and name hn) 1.95 0.1 0.1
assign (resid 20 and name o) (resid 24 and name n)  3.00 0.7 0.5

assign (resid 21 and name o) (resid 25 and name hn) 1.95 0.1 0.1
assign (resid 21 and name o) (resid 25 and name n)  3.00 0.7 0.5

assign (resid 22 and name o) (resid 26 and name hn) 1.95 0.1 0.1
assign (resid 22 and name o) (resid 26 and name n)  3.00 0.7 0.5

assign (resid 23 and name o) (resid 27 and name hn) 1.95 0.1 0.1
assign (resid 23 and name o) (resid 27 and name n)  3.00 0.7 0.5

assign (resid 24 and name o) (resid 28 and name hn) 1.95 0.1 0.1
assign (resid 24 and name o) (resid 28 and name n)  3.00 0.7 0.5

assign (resid 25 and name o) (resid 29 and name hn) 1.95 0.1 0.1
assign (resid 25 and name o) (resid 29 and name n)  3.00 0.7 0.5

assign (resid 26 and name o) (resid 30 and name hn) 1.95 0.1 0.1
assign (resid 26 and name o) (resid 30 and name n)  3.00 0.7 0.5

assign (resid 27 and name o) (resid 31 and name hn) 1.95 0.1 0.1
assign (resid 27 and name o) (resid 31 and name n)  3.00 0.7 0.5

assign (resid 28 and name o) (resid 32 and name hn) 1.95 0.1 0.1
assign (resid 28 and name o) (resid 32 and name n)  3.00 0.7 0.5

assign (resid 29 and name o) (resid 33 and name hn) 1.95 0.1 0.1
assign (resid 29 and name o) (resid 33 and name n)  3.00 0.7 0.5


assign (resid 37 and name o) (resid 41 and name hn) 1.95 0.1 0.1
assign (resid 37 and name o) (resid 41 and name n)  3.00 0.7 0.5

assign (resid 38 and name o) (resid 42 and name hn) 1.95 0.1 0.1
assign (resid 38 and name o) (resid 42 and name n)  3.00 0.7 0.5


assign (resid 49 and name o) (resid 53 and name hn) 1.95 0.1 0.1
assign (resid 49 and name o) (resid 53 and name n)  3.00 0.7 0.5

assign (resid 50 and name o) (resid 54 and name hn) 1.95 0.1 0.1
assign (resid 50 and name o) (resid 54 and name n)  3.00 0.7 0.5

assign (resid 51 and name o) (resid 55 and name hn) 1.95 0.1 0.1
assign (resid 51 and name o) (resid 55 and name n)  3.00 0.7 0.5

assign (resid 52 and name o) (resid 56 and name hn) 1.95 0.1 0.1
assign (resid 52 and name o) (resid 56 and name n)  3.00 0.7 0.5

assign (resid 53 and name o) (resid 57 and name hn) 1.95 0.1 0.1
assign (resid 53 and name o) (resid 57 and name n)  3.00 0.7 0.5

assign (resid 54 and name o) (resid 58 and name hn) 1.95 0.1 0.1
assign (resid 54 and name o) (resid 58 and name n)  3.00 0.7 0.5

assign (resid 55 and name o) (resid 59 and name hn) 1.95 0.1 0.1
assign (resid 55 and name o) (resid 59 and name n)  3.00 0.7 0.5

assign (resid 56 and name o) (resid 60 and name hn) 1.95 0.1 0.1
assign (resid 56 and name o) (resid 60 and name n)  3.00 0.7 0.5

assign (resid 57 and name o) (resid 61 and name hn) 1.95 0.1 0.1
assign (resid 57 and name o) (resid 61 and name n)  3.00 0.7 0.5

assign (resid 58 and name o) (resid 62 and name hn) 1.95 0.1 0.1
assign (resid 58 and name o) (resid 62 and name n)  3.00 0.7 0.5

assign (resid 59 and name o) (resid 63 and name hn) 1.95 0.1 0.1
assign (resid 59 and name o) (resid 63 and name n)  3.00 0.7 0.5

assign (resid 60 and name o) (resid 64 and name hn) 1.95 0.1 0.1
assign (resid 60 and name o) (resid 64 and name n)  3.00 0.7 0.5

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  10  and name N   )
       ( resid  10  and name HN  )   4.8289 0.9

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  11  and name N   )
       ( resid  11  and name HN  )  -1.2782 0.9

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  12  and name N   )
       ( resid  12  and name HN  )  -0.2438 0.9

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  14  and name N   )
       ( resid  14  and name HN  )   8.9144 0.9

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  15  and name N   )
       ( resid  15  and name HN  )  -0.2128 0.9

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  18  and name N   )
       ( resid  18  and name HN  )   4.1566 0.9

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  21  and name N   )
       ( resid  21  and name HN  )  10.3666 0.9

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  24  and name N   )
       ( resid  24  and name HN  )  13.6643 0.9

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  26  and name N   )
       ( resid  26  and name HN  )   2.9513 0.9

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  28  and name N   )
       ( resid  28  and name HN  )   0.5306 0.9

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  29  and name N   )
       ( resid  29  and name HN  )   4.2459 0.9

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  33  and name N   )
       ( resid  33  and name HN  )  -4.1143 0.9

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  36  and name N   )
       ( resid  36  and name HN  )   5.7261 0.9

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  37  and name N   )
       ( resid  37  and name HN  )  16.6166 0.9

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  38  and name N   )
       ( resid  38  and name HN  )   4.9401 0.9

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  39  and name N   )
       ( resid  39  and name HN  )  15.0060 0.9

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  40  and name N   )
       ( resid  40  and name HN  )  15.0229 0.9

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  42  and name N   )
       ( resid  42  and name HN  )   2.8683 0.9

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  43  and name N   )
       ( resid  43  and name HN  )  19.3857 0.9

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  44  and name N   )
       ( resid  44  and name HN  )  -4.6911 0.9

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  46  and name N   )
       ( resid  46  and name HN  )  10.3733 0.9

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  49  and name N   )
       ( resid  49  and name HN  )  12.9825 0.9

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  50  and name N   )
       ( resid  50  and name HN  )  15.5037 0.9

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  51  and name N   )
       ( resid  51  and name HN  )  18.0911 0.9

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  52  and name N   )
       ( resid  52  and name HN  )  15.7705 0.9

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  53  and name N   )
       ( resid  53  and name HN  )  13.1168 0.9

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  64  and name N   )
       ( resid  64  and name HN  )   8.4854 0.9

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  65  and name N   )
       ( resid  65  and name HN  )   2.5332 0.9

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  66  and name N   )
       ( resid  66  and name HN  )   2.9290 0.9

assign ( resid 999  and name OO  )
       ( resid 999  and name Z   )
       ( resid 999  and name X   )
       ( resid 999  and name Y   )
       ( resid  67  and name N   )
       ( resid  67  and name HN  )  -0.0002 0.9


 met
 leu
 lys
 asn
 leu
 ala
 lys
 leu
 asp
 gln
 thr
 glu
 met
 asp
 lys
 val
 asn
 val
 asp
 leu
 ala
 ala
 ala
 gly
 val
 ala
 phe
 lys
 glu
 arg
 tyr
 asn
 met
 pro
 val
 ile
 ala
 glu
 ala
 val
 glu
 arg
 glu
 gln
 pro
 glu
 his
 leu
 arg
 ser
 trp
 phe
 arg
 glu
 arg
 leu
 ile
 ala
 his
 arg
 leu
 ala
 ser
 val
 asn
 leu
 ser
 arg
 leu
 pro
 tyr
 glu
 pro
 lys
 leu
 lys

assign (resid 9 and name HA) (resid 9 and name HB#) 2.286 0.486 0.0 ! theta_13C_noesy_800_MeOH.728 
!no swap
!swapped hb1 for HB#) ; asp
assign (resid 10 and name HA) (resid 9 and name HA) 4.043 2.243 0.0 ! theta_13C_noesy_800_MeOH.3947 
!no swap
!no swap
assign (resid 10 and name HN) (resid 9 and name HA) 3.507 1.707 0.0 ! theta_15Nnoesy_MeOH.248 
!no swap
!no swap
assign (resid 10 and name HN) (resid 9 and name HB#) 3.900 2.1 0.0 ! theta_15Nnoesy_MeOH.291 
!no swap
!swapped hb1 for HB#) ; asp
assign (resid 10 and name HA) (resid 10 and name HB#) 2.428 0.628 0.0 ! theta_13C_noesy_800_MeOH.3956 
!no swap
!swapped hb2 for HB#) ; gln
assign (resid 10 and name HA) (resid 10 and name HG#) 2.910 1.11 0.0 ! theta_13C_noesy_800_MeOH.3950 
!no swap
!swapped hg1 for HG#) ; gln
assign (resid 10 and name HA) (resid 10 and name HG#) 2.892 1.092 0.0 ! theta_13C_noesy_800_MeOH.3955 
!no swap
!swapped hg2 for HG#) ; gln
assign (resid 11 and name HN) (resid 9 and name HA) 4.239 2.439 0.0 ! theta_15Nnoesy_MeOH.829 
!no swap
!no swap
assign (resid 11 and name HN) (resid 9 and name HB#) 4.171 2.371 0.0 ! theta_15Nnoesy_MeOH.860 
!no swap
!swapped hb1 for HB#) ; asp
assign (resid 10 and name HN) (resid 11 and name HB) 4.527 2.727 0.0 ! theta_15Nnoesy_MeOH.249 
!no swap
!no swap
assign (resid 10 and name HN) (resid 11 and name HN) 3.904 2.104 0.0 ! theta_15Nnoesy_MeOH.205 
!no swap
!no swap
assign (resid 11 and name HB) (resid 11 and name HA) 2.339 0.539 1.0 ! theta_13C_noesy_800_MeOH.1952 
!no swap
!no swap
assign (resid 11 and name HG2#) (resid 11 and name HA) 2.474 0.674 0.0 ! theta_13C_noesy_800_MeOH.1864 
!no swap
!no swap
assign (resid 11 and name HB) (resid 11 and name HG2#) 2.381 0.581 0.0 ! theta_13C_noesy_800_MeOH.1956 
!no swap
!no swap
assign (resid 11 and name HN) (resid 11 and name HA) 3.168 1.368 0.0 ! theta_15Nnoesy_MeOH.831 
!no swap
!no swap
assign (resid 11 and name HN) (resid 11 and name HB) 3.097 1.297 0.0 ! theta_15Nnoesy_MeOH.830 
!no swap
!no swap
assign (resid 11 and name HN) (resid 11 and name HG2#) 3.840 2.04 0.0 ! theta_15Nnoesy_MeOH.886 
!no swap
!no swap
assign (resid 11 and name HA) (resid 12 and name HB#) 3.752 1.952 1.3 ! theta_13C_noesy_800_MeOH.2352 
!no swap
!swapped hb1 for HB#) ; glu
assign (resid 12 and name HN) (resid 11 and name HG2#) 4.350 2.55 0.0 ! theta_15Nnoesy_MeOH.360 
!no swap
!no swap
assign (resid 12 and name HN) (resid 12 and name HA) 3.254 1.454 0.0 ! theta_15Nnoesy_MeOH.270 
!no swap
!no swap
assign (resid 12 and name HN) (resid 12 and name HB#) 2.881 1.081 0.0 ! theta_15Nnoesy_MeOH.334 
!no swap
!swapped hb1 for HB#) ; glu
assign (resid 12 and name HN) (resid 12 and name HG#) 3.113 1.313 0.0 ! theta_15Nnoesy_MeOH.305 
!no swap
!swapped hg1 for HG#) ; glu
assign (resid 13 and name HN) (resid 12 and name HA) 2.988 1.188 0.0 ! theta_15Nnoesy_MeOH.430 
!no swap
!no swap
assign (resid 13 and name HA) (resid 13 and name HB#) 2.741 0.941 0.0 ! theta_13C_noesy_800_MeOH.4045 
!no swap
!swapped hb1 for HB#) ; met
assign (resid 13 and name HA) (resid 13 and name HG#) 3.078 1.278 0.0 ! theta_13C_noesy_800_MeOH.4043 
!no swap
!swapped hg1 for HG#) ; met
assign (resid 13 and name HN) (resid 13 and name HB#) 2.690 0.89 0.0 ! theta_15Nnoesy_MeOH.492 
!no swap
!swapped hb1 for HB#) ; met
assign (resid 13 and name HN) (resid 13 and name HG#) 3.232 1.432 0.0 ! theta_15Nnoesy_MeOH.469 
!no swap
!swapped hg1 for HG#) ; met
assign (resid 11 and name HA) (resid 14 and name HA) 3.711 1.911 0.0 ! theta_13C_noesy_800_MeOH.2345 
!no swap
!no swap
assign (resid 14 and name HA) (resid 11 and name HG2#) 5.297 3.497 0.0 ! theta_13C_noesy_800_MeOH.4214 
!no swap
!no swap
assign (resid 11 and name HA) (resid 14 and name HB#) 3.239 1.439 0.0 ! theta_13C_noesy_800_MeOH.2350 
!no swap
!swapped hb2 for HB#) ; asp
assign (resid 13 and name HN) (resid 14 and name HA) 4.475 2.675 0.0 ! theta_15Nnoesy_MeOH.428 
!no swap
!no swap
assign (resid 14 and name HN) (resid 13 and name HB#) 2.907 1.107 0.0 ! theta_15Nnoesy_MeOH.481 
!no swap
!swapped hb1 for HB#) ; met
assign (resid 14 and name HN) (resid 13 and name HN) 3.080 1.28 0.0 ! theta_15Nnoesy_MeOH.377 
!no swap
!no swap
assign (resid 14 and name HA) (resid 14 and name HB#) 2.747 0.947 0.0 ! theta_13C_noesy_800_MeOH.4212 
!no swap
!swapped hb1 for HB#) ; asp
assign (resid 14 and name HA) (resid 14 and name HB#) 2.906 1.106 0.0 ! theta_13C_noesy_800_MeOH.4204 
!no swap
!swapped hb2 for HB#) ; asp
assign (resid 14 and name HN) (resid 14 and name HA) 3.122 1.322 0.0 ! theta_15Nnoesy_MeOH.416 
!no swap
!no swap
assign (resid 14 and name HN) (resid 14 and name HB#) 3.100 1.3 0.0 ! theta_15Nnoesy_MeOH.462 
!no swap
!swapped hb1 for HB#) ; asp
assign (resid 14 and name HN) (resid 14 and name HB#) 3.072 1.272 0.0 ! theta_15Nnoesy_MeOH.463 
!no swap
!swapped hb2 for HB#) ; asp
assign (resid 15 and name HN) (resid 12 and name HA) 3.906 2.106 0.0 ! theta_15Nnoesy_MeOH.614 
!no swap
!no swap
assign (resid 15 and name HN) (resid 14 and name HA) 4.254 2.454 0.0 ! theta_15Nnoesy_MeOH.613 
!no swap
!no swap
assign (resid 15 and name HN) (resid 14 and name HB#) 3.715 1.915 0.0 ! theta_15Nnoesy_MeOH.656 
!no swap
!swapped hb2 for HB#) ; asp
assign (resid 14 and name HN) (resid 15 and name HN) 3.167 1.367 0.0 ! theta_15Nnoesy_MeOH.378 
!no swap
!no swap
assign (resid 15 and name HN) (resid 15 and name HA) 3.897 2.097 0.0 ! theta_15Nnoesy_MeOH.637 
!no swap
!no swap
assign (resid 15 and name HN) (resid 15 and name HB#) 3.538 1.738 0.0 ! theta_15Nnoesy_MeOH.685 
!no swap
!swapped hb1 for HB#) ; lys
assign (resid 16 and name HG*) (resid 13 and name HA) 2.938 1.138 0.0 ! theta_13C_noesy_800_MeOH.1747 
!swapped hg1# for HG*) ; val
!no swap
assign (resid 13 and name HA) (resid 16 and name HG*) 3.791 1.991 0.0 ! theta_13C_noesy_800_MeOH.4048 
!no swap
!swapped hg2# for HG*) ; val
assign (resid 16 and name HG*) (resid 15 and name HN) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.8325 
!swapped hg1# for HG*) ; val
!no swap
assign (resid 15 and name HN) (resid 16 and name HN) 3.532 1.732 0.0 ! theta_15Nnoesy_MeOH.570 
!no swap
!no swap
assign (resid 16 and name HA) (resid 16 and name HB) 3.396 1.596 0.0 ! theta_13C_noesy_800_MeOH.2142 
!no swap
!no swap
assign (resid 16 and name HG*) (resid 16 and name HA) 2.818 1.018 0.0 ! theta_13C_noesy_800_MeOH.1749 
!swapped hg1# for HG*) ; val
!no swap
assign (resid 16 and name HG*) (resid 16 and name HB) 2.543 0.743 0.0 ! theta_13C_noesy_800_MeOH.1753 
!swapped hg1# for HG*) ; val
!no swap
assign (resid 16 and name HG*) (resid 16 and name HA) 2.552 0.752 0.0 ! theta_13C_noesy_800_MeOH.1925 
!swapped hg2# for HG*) ; val
!no swap
assign (resid 16 and name HB) (resid 16 and name HG*) 3.013 1.213 0.0 ! theta_13C_noesy_800_MeOH.4957 
!no swap
!swapped hg2# for HG*) ; val
assign (resid 16 and name HG*) (resid 16 and name HG*) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.8334 
!swapped hg1# for HG*) ; val
!swapped hg2# for HG*) ; val
assign (resid 16 and name HN) (resid 16 and name HA) 3.436 1.636 0.0 ! theta_15Nnoesy_MeOH.284 
!no swap
!no swap
assign (resid 16 and name HN) (resid 16 and name HB) 3.118 1.318 0.0 ! theta_15Nnoesy_MeOH.303 
!no swap
!no swap
assign (resid 16 and name HN) (resid 16 and name HG*) 3.215 1.415 0.0 ! theta_15Nnoesy_MeOH.356 
!no swap
!swapped hg1# for HG*) ; val
assign (resid 16 and name HN) (resid 16 and name HG*) 3.583 1.783 0.0 ! theta_15Nnoesy_MeOH.357 
!no swap
!swapped hg2# for HG*) ; val
assign (resid 17 and name HB#) (resid 14 and name HA) 3.511 1.711 0.0 ! theta_13C_noesy_800_MeOH.3109 
!swapped hb1 for HB#) ; asn
!no swap
assign (resid 14 and name HA) (resid 17 and name HB#) 3.056 1.256 0.0 ! theta_13C_noesy_800_MeOH.4211 
!no swap
!swapped hb2 for HB#) ; asn
assign (resid 16 and name HG*) (resid 17 and name HA) 3.606 1.806 0.0 ! theta_13C_noesy_800_MeOH.1911 
!swapped hg2# for HG*) ; val
!no swap
assign (resid 17 and name HN) (resid 16 and name HB) 3.422 1.622 0.0 ! theta_15Nnoesy_MeOH.470 
!no swap
!no swap
assign (resid 17 and name HN) (resid 16 and name HG*) 4.215 2.415 0.0 ! theta_15Nnoesy_MeOH.517 
!no swap
!swapped hg1# for HG*) ; val
assign (resid 17 and name HN) (resid 16 and name HG*) 4.028 2.228 0.0 ! theta_15Nnoesy_MeOH.519 
!no swap
!swapped hg2# for HG*) ; val
assign (resid 16 and name HN) (resid 17 and name HN) 3.302 1.502 0.0 ! theta_15Nnoesy_MeOH.220 
!no swap
!no swap
assign (resid 17 and name HA) (resid 17 and name HB#) 2.904 1.104 0.0 ! theta_13C_noesy_800_MeOH.4484 
!no swap
!swapped hb1 for HB#) ; asn
assign (resid 17 and name HA) (resid 17 and name HB#) 2.919 1.119 0.0 ! theta_13C_noesy_800_MeOH.4470 
!no swap
!swapped hb2 for HB#) ; asn
assign (resid 17 and name HN) (resid 17 and name HA) 3.537 1.737 0.0 ! theta_15Nnoesy_MeOH.427 
!no swap
!no swap
assign (resid 17 and name HN) (resid 17 and name HB#) 3.398 1.598 0.0 ! theta_15Nnoesy_MeOH.467 
!no swap
!swapped hb1 for HB#) ; asn
assign (resid 17 and name HN) (resid 17 and name HB#) 3.454 1.654 0.0 ! theta_15Nnoesy_MeOH.466 
!no swap
!swapped hb2 for HB#) ; asn
assign (resid 17 and name HN) (resid 17 and name HD2#) 3.989 2.189 0.0 ! theta_15Nnoesy_MeOH.391 
!no swap
!no swap
assign (resid 17 and name HN) (resid 17 and name HD22) 4.799 2.999 0.0 ! theta_15Nnoesy_MeOH.408 
!no swap
!no swap
assign (resid 18 and name HN) (resid 15 and name HA) 4.025 2.225 0.0 ! theta_15Nnoesy_MeOH.275 
!no swap
!no swap
assign (resid 17 and name HA) (resid 18 and name HG*) 3.425 1.625 1.6 ! theta_13C_noesy_800_MeOH.4478 
!no swap
!swapped hg2# for HG*) ; val
assign (resid 18 and name HN) (resid 17 and name HB#) 3.646 1.846 0.0 ! theta_15Nnoesy_MeOH.294 
!no swap
!swapped hb1 for HB#) ; asn
assign (resid 18 and name HN) (resid 17 and name HB#) 3.708 1.908 0.0 ! theta_15Nnoesy_MeOH.292 
!no swap
!swapped hb2 for HB#) ; asn
assign (resid 18 and name HN) (resid 17 and name HN) 3.201 1.401 0.0 ! theta_15Nnoesy_MeOH.206 
!no swap
!no swap
assign (resid 18 and name HN) (resid 18 and name HA) 3.428 1.628 0.0 ! theta_15Nnoesy_MeOH.250 
!no swap
!no swap
assign (resid 19 and name HN) (resid 16 and name HA) 3.835 2.035 0.0 ! theta_15Nnoesy_MeOH.279 
!no swap
!no swap
assign (resid 19 and name HN) (resid 18 and name HN) 3.793 1.993 0.0 ! theta_15Nnoesy_MeOH.192 
!no swap
!no swap
assign (resid 19 and name HN) (resid 19 and name HB#) 3.679 1.879 0.0 ! theta_15Nnoesy_MeOH.296 
!no swap
!swapped hb1 for HB#) ; asp
assign (resid 19 and name HN) (resid 19 and name HB#) 3.685 1.885 0.0 ! theta_15Nnoesy_MeOH.281 
!no swap
!swapped hb2 for HB#) ; asp
assign (resid 20 and name HB#) (resid 17 and name HA) 3.608 1.808 0.0 ! theta_13C_noesy_800_MeOH.2571 
!swapped hb1 for HB#) ; leu
!no swap
assign (resid 20 and name HN) (resid 17 and name HA) 4.411 2.611 0.0 ! theta_15Nnoesy_MeOH.599 
!no swap
!no swap
assign (resid 20 and name HB#) (resid 20 and name HA) 3.560 1.76 0.0 ! theta_13C_noesy_800_MeOH.2572 
!swapped hb1 for HB#) ; leu
!no swap
assign (resid 20 and name HB#) (resid 20 and name HD*) 3.444 1.644 0.0 ! theta_13C_noesy_800_MeOH.2576 
!swapped hb1 for HB#) ; leu
!swapped hd1# for HD*) ; leu
assign (resid 20 and name HN) (resid 20 and name HA) 3.545 1.745 0.0 ! theta_15Nnoesy_MeOH.625 
!no swap
!no swap
assign (resid 20 and name HN) (resid 20 and name HD*) 4.237 2.437 0.0 ! theta_15Nnoesy_MeOH.704 
!no swap
!swapped hd1# for HD*) ; leu
assign (resid 18 and name HA) (resid 21 and name HB#) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.11978 
!no swap
!no swap
assign (resid 21 and name HB#) (resid 20 and name HA) 3.188 1.388 1.9 ! theta_13C_noesy_800_MeOH.2611 
!no swap
!no swap
assign (resid 21 and name HB#) (resid 20 and name HB#) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.12879 
!no swap
!swapped hb1 for HB#) ; leu
assign (resid 21 and name HB#) (resid 20 and name HN) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.12869 
!no swap
!no swap
assign (resid 21 and name HN) (resid 20 and name HB#) 3.841 2.041 0.0 ! theta_15Nnoesy_MeOH.173 
!no swap
!swapped hb1 for HB#) ; leu
assign (resid 21 and name HN) (resid 20 and name HD*) 4.489 2.689 0.0 ! theta_15Nnoesy_MeOH.182 
!no swap
!swapped hd1# for HD*) ; leu
assign (resid 20 and name HN) (resid 21 and name HN) 3.605 1.805 0.0 ! theta_15Nnoesy_MeOH.560 
!no swap
!no swap
assign (resid 21 and name HB#) (resid 21 and name HA) 3.085 1.285 0.0 ! theta_13C_noesy_800_MeOH.2610 
!no swap
!no swap
assign (resid 21 and name HN) (resid 21 and name HA) 3.653 1.853 0.0 ! theta_15Nnoesy_MeOH.145 
!no swap
!no swap
assign (resid 21 and name HN) (resid 21 and name HB#) 3.438 1.638 0.0 ! theta_15Nnoesy_MeOH.174 
!no swap
!no swap
assign (resid 22 and name HB#) (resid 19 and name HA) 3.988 2.188 0.0 ! theta_13C_noesy_800_MeOH.2526 
!no swap
!no swap
assign (resid 21 and name HB#) (resid 22 and name HA) 4.317 2.517 0.0 ! theta_13C_noesy_800_MeOH.2612 
!no swap
!no swap
assign (resid 22 and name HB#) (resid 21 and name HB#) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.12901 
!no swap
!no swap
assign (resid 22 and name HB#) (resid 21 and name HN) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.12890 
!no swap
!no swap
assign (resid 22 and name HN) (resid 21 and name HA) 4.237 2.437 0.0 ! theta_15Nnoesy_MeOH.253 
!no swap
!no swap
assign (resid 21 and name HB#) (resid 22 and name HN) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.12870 
!no swap
!no swap
assign (resid 21 and name HN) (resid 22 and name HN) 3.459 1.659 0.0 ! theta_15Nnoesy_MeOH.115 
!no swap
!no swap
assign (resid 22 and name HB#) (resid 22 and name HA) 3.218 1.418 0.0 ! theta_13C_noesy_800_MeOH.2527 
!no swap
!no swap
assign (resid 22 and name HN) (resid 22 and name HA) 3.860 2.06 0.0 ! theta_15Nnoesy_MeOH.277 
!no swap
!no swap
assign (resid 22 and name HN) (resid 22 and name HB#) 3.814 2.014 0.0 ! theta_15Nnoesy_MeOH.346 
!no swap
!no swap
assign (resid 23 and name HB#) (resid 20 and name HA) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.13943 
!no swap
!no swap
assign (resid 21 and name HB#) (resid 23 and name HB#) 4.352 2.552 0.7 ! theta_13C_noesy_800_MeOH.2616 
!no swap
!no swap
assign (resid 23 and name HA) (resid 22 and name HB#) 4.679 2.879 0.0 ! theta_13C_noesy_800_MeOH.5373 
!no swap
!no swap
assign (resid 23 and name HN) (resid 22 and name HB#) 4.089 2.289 0.0 ! theta_15Nnoesy_MeOH.349 
!no swap
!no swap
assign (resid 23 and name HN) (resid 22 and name HN) 3.404 1.604 0.0 ! theta_15Nnoesy_MeOH.211 
!no swap
!no swap
assign (resid 23 and name HB#) (resid 23 and name HA) 3.311 1.511 0.0 ! theta_13C_noesy_800_MeOH.2737 
!no swap
!no swap
assign (resid 23 and name HN) (resid 23 and name HA) 3.830 2.03 0.0 ! theta_15Nnoesy_MeOH.282 
!no swap
!no swap
assign (resid 23 and name HN) (resid 23 and name HB#) 3.561 1.761 0.0 ! theta_15Nnoesy_MeOH.352 
!no swap
!no swap
assign (resid 24 and name HN) (resid 21 and name HA) 4.361 2.561 0.0 ! theta_15Nnoesy_MeOH.968 
!no swap
!no swap
assign (resid 23 and name HB#) (resid 24 and name HA#) 3.184 1.384 0.0 ! theta_13C_noesy_800_MeOH.2734 
!no swap
!swapped ha1 for HA#) ; gly
assign (resid 23 and name HN) (resid 24 and name HA#) 3.855 2.055 0.0 ! theta_15Nnoesy_MeOH.278 
!no swap
!swapped ha1 for HA#) ; gly
assign (resid 24 and name HN) (resid 23 and name HA) 4.157 2.357 0.0 ! theta_15Nnoesy_MeOH.971 
!no swap
!no swap
assign (resid 24 and name HN) (resid 23 and name HB#) 4.110 2.31 0.0 ! theta_15Nnoesy_MeOH.977 
!no swap
!no swap
assign (resid 24 and name HN) (resid 23 and name HN) 3.566 1.766 0.0 ! theta_15Nnoesy_MeOH.964 
!no swap
!no swap
assign (resid 24 and name HN) (resid 24 and name HA#) 3.328 1.528 0.0 ! theta_15Nnoesy_MeOH.970 
!no swap
!swapped ha1 for HA#) ; gly
assign (resid 25 and name HG*) (resid 24 and name HA#) 3.760 1.96 0.0 ! theta_13C_noesy_800_MeOH.1509 
!swapped hg1# for HG*) ; val
!swapped ha1 for HA#) ; gly
assign (resid 24 and name HN) (resid 25 and name HG*) 5.317 3.517 0.0 ! theta_15Nnoesy_MeOH.975 
!no swap
!swapped hg1# for HG*) ; val
assign (resid 25 and name HN) (resid 24 and name HA#) 3.925 2.125 0.0 ! theta_15Nnoesy_MeOH.287 
!no swap
!swapped ha1 for HA#) ; gly
assign (resid 25 and name HN) (resid 24 and name HN) 3.726 1.926 0.0 ! theta_15Nnoesy_MeOH.226 
!no swap
!no swap
assign (resid 25 and name HA) (resid 25 and name HB) 4.074 2.274 0.0 ! theta_13C_noesy_800_MeOH.2075 
!no swap
!no swap
assign (resid 25 and name HG*) (resid 25 and name HA) 3.533 1.733 0.0 ! theta_13C_noesy_800_MeOH.1519 
!swapped hg1# for HG*) ; val
!no swap
assign (resid 25 and name HG*) (resid 25 and name HB) 3.431 1.631 0.0 ! theta_13C_noesy_800_MeOH.1521 
!swapped hg1# for HG*) ; val
!no swap
assign (resid 25 and name HG*) (resid 25 and name HG*) 3.055 1.255 0.0 ! theta_13C_noesy_800_MeOH.1524 
!swapped hg1# for HG*) ; val
!swapped hg2# for HG*) ; val
assign (resid 25 and name HN) (resid 25 and name HA) 3.675 1.875 0.0 ! theta_15Nnoesy_MeOH.288 
!no swap
!no swap
assign (resid 25 and name HN) (resid 25 and name HB) 3.726 1.926 0.0 ! theta_15Nnoesy_MeOH.307 
!no swap
!no swap
assign (resid 25 and name HN) (resid 25 and name HG*) 3.802 2.002 0.0 ! theta_15Nnoesy_MeOH.361 
!no swap
!swapped hg1# for HG*) ; val
assign (resid 25 and name HN) (resid 25 and name HG*) 3.840 2.04 0.0 ! theta_15Nnoesy_MeOH.362 
!no swap
!swapped hg2# for HG*) ; val
assign (resid 26 and name HB#) (resid 23 and name HA) 4.436 2.636 0.0 ! theta_13C_noesy_800_MeOH.2285 
!no swap
!no swap
assign (resid 26 and name HN) (resid 23 and name HA) 3.950 2.15 0.0 ! theta_15Nnoesy_MeOH.453 
!no swap
!no swap
assign (resid 26 and name HN) (resid 25 and name HB) 3.619 1.819 0.0 ! theta_15Nnoesy_MeOH.475 
!no swap
!no swap
assign (resid 25 and name HG*) (resid 26 and name HN) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.6949 
!swapped hg1# for HG*) ; val
!no swap
assign (resid 26 and name HN) (resid 25 and name HG*) 3.543 1.743 0.0 ! theta_15Nnoesy_MeOH.525 
!no swap
!swapped hg2# for HG*) ; val
assign (resid 26 and name HN) (resid 26 and name HB#) 3.564 1.764 0.0 ! theta_15Nnoesy_MeOH.524 
!no swap
!no swap
assign (resid 27 and name HB#) (resid 23 and name HB#) 5.378 3.578 0.0 ! theta_13C_noesy_800_MeOH.2850 
!swapped hb2 for HB#) ; phe
!no swap
assign (resid 23 and name HB#) (resid 27 and name HD1) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.13940 
!no swap
!no swap
assign (resid 23 and name HB#) (resid 27 and name HE1) 4.130 2.33 0.0 ! theta_13C_noesy_800_MeOH.2730 
!no swap
!no swap
assign (resid 26 and name HB#) (resid 27 and name HA) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.12025 
!no swap
!no swap
assign (resid 26 and name HB#) (resid 27 and name HD1) 4.614 2.814 0.0 ! theta_13C_noesy_800_MeOH.2282 
!no swap
!no swap
assign (resid 26 and name HB#) (resid 27 and name HN) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.12033 
!no swap
!no swap
assign (resid 27 and name HN) (resid 26 and name HN) 3.759 1.959 0.0 ! theta_15Nnoesy_MeOH.381 
!no swap
!no swap
assign (resid 27 and name HB#) (resid 27 and name HA) 4.068 2.268 0.0 ! theta_13C_noesy_800_MeOH.2832 
!swapped hb1 for HB#) ; phe
!no swap
assign (resid 27 and name HB#) (resid 27 and name HA) 3.993 2.193 0.0 ! theta_13C_noesy_800_MeOH.2847 
!swapped hb2 for HB#) ; phe
!no swap
assign (resid 27 and name HD1) (resid 27 and name HA) 3.248 1.448 0.0 ! theta_13C_noesy_800_MeOH.3727 
!no swap
!no swap
assign (resid 27 and name HD1) (resid 27 and name HB#) 3.476 1.676 0.0 ! theta_13C_noesy_800_MeOH.3730 
!no swap
!swapped hb2 for HB#) ; phe
assign (resid 27 and name HE1) (resid 27 and name HB#) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.17745 
!no swap
!swapped hb2 for HB#) ; phe
assign (resid 27 and name HN) (resid 27 and name HA) 3.411 1.611 0.0 ! theta_15Nnoesy_MeOH.598 
!no swap
!no swap
assign (resid 27 and name HN) (resid 27 and name HB#) 3.200 1.4 0.0 ! theta_15Nnoesy_MeOH.446 
!no swap
!swapped hb2 for HB#) ; phe
assign (resid 27 and name HN) (resid 27 and name HD1) 3.985 2.185 0.0 ! theta_15Nnoesy_MeOH.581 
!no swap
!no swap
!assign (resid 27 and name HD1) (resid 28 and name HA) 3.478 1.678 0.0 ! theta_13C_noesy_800_MeOH.3741 
!no swap
!no swap
assign (resid 28 and name HN) (resid 27 and name HB#) 3.833 2.033 0.0 ! theta_15Nnoesy_MeOH.632 
!no swap
!swapped hb1 for HB#) ; phe
assign (resid 28 and name HN) (resid 27 and name HD1) 4.522 2.722 0.0 ! theta_15Nnoesy_MeOH.583 
!no swap
!no swap
assign (resid 27 and name HN) (resid 28 and name HN) 3.684 1.884 0.0 ! theta_15Nnoesy_MeOH.559 
!no swap
!no swap
assign (resid 28 and name HA) (resid 28 and name HB#) 3.359 1.559 0.0 ! theta_13C_noesy_800_MeOH.3333 
!no swap
!swapped hb1 for HB#) ; lys
assign (resid 28 and name HN) (resid 28 and name HA) 3.643 1.843 0.0 ! theta_15Nnoesy_MeOH.611 
!no swap
!no swap
assign (resid 29 and name HN) (resid 29 and name HA) 3.349 1.549 0.0 ! theta_15Nnoesy_MeOH.596 
!no swap
!no swap
assign (resid 29 and name HN) (resid 29 and name HG#) 3.722 1.922 0.0 ! theta_15Nnoesy_MeOH.647 
!no swap
!swapped hg1 for HG#) ; glu
assign (resid 29 and name HN) (resid 29 and name HG#) 3.564 1.764 0.0 ! theta_15Nnoesy_MeOH.648 
!no swap
!swapped hg2 for HG#) ; glu
assign (resid 29 and name HN) (resid 30 and name HN) 3.515 1.715 0.0 ! theta_15Nnoesy_MeOH.558 
!no swap
!no swap
assign (resid 30 and name HA) (resid 30 and name HD#) 3.349 1.549 0.0 ! theta_13C_noesy_800_MeOH.4189 
!no swap
!swapped hd1 for HD#) ; arg
assign (resid 30 and name HA) (resid 30 and name HD#) 3.376 1.576 0.0 ! theta_13C_noesy_800_MeOH.4185 
!no swap
!swapped hd2 for HD#) ; arg
assign (resid 30 and name HN) (resid 30 and name HA) 3.359 1.559 0.0 ! theta_15Nnoesy_MeOH.450 
!no swap
!no swap
assign (resid 30 and name HN) (resid 30 and name HB#) 2.965 1.165 0.0 ! theta_15Nnoesy_MeOH.497 
!no swap
!swapped hb1 for HB#) ; arg
assign (resid 31 and name HD1) (resid 27 and name HA) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.16351 
!no swap
!no swap
assign (resid 27 and name HD1) (resid 31 and name HD1) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.17738 
!no swap
!no swap
assign (resid 31 and name HE1) (resid 27 and name HD1) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.8929 
!no swap
!no swap
assign (resid 27 and name HE1) (resid 31 and name HE1) 3.802 2.002 0.0 ! theta_13C_noesy_800_MeOH.3725 
!no swap
!no swap
assign (resid 31 and name HN) (resid 30 and name HN) 3.727 1.927 0.0 ! theta_15Nnoesy_MeOH.806 
!no swap
!no swap
assign (resid 31 and name HA) (resid 31 and name HB#) 3.331 1.531 0.0 ! theta_13C_noesy_800_MeOH.3882 
!no swap
!swapped hb1 for HB#) ; tyr
assign (resid 31 and name HA) (resid 31 and name HD1) 3.353 1.553 0.0 ! theta_13C_noesy_800_MeOH.3878 
!no swap
!no swap
assign (resid 31 and name HB#) (resid 31 and name HD1) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.16141 
!swapped hb1 for HB#) ; tyr
!no swap
assign (resid 31 and name HD1) (resid 31 and name HB#) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.16353 
!no swap
!swapped hb2 for HB#) ; tyr
assign (resid 31 and name HA) (resid 31 and name HE1) 3.965 2.165 0.0 ! theta_13C_noesy_800_MeOH.3880 
!no swap
!no swap
assign (resid 31 and name HE1) (resid 31 and name HB#) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.8563 
!no swap
!swapped hb1 for HB#) ; tyr
assign (resid 31 and name HE1) (resid 31 and name HD1) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.8562 
!no swap
!no swap
assign (resid 31 and name HN) (resid 31 and name HA) 3.568 1.768 0.0 ! theta_15Nnoesy_MeOH.841 
!no swap
!no swap
assign (resid 31 and name HN) (resid 31 and name HB#) 3.801 2.001 0.0 ! theta_15Nnoesy_MeOH.853 
!no swap
!swapped hb1 for HB#) ; tyr
assign (resid 31 and name HN) (resid 31 and name HB#) 3.713 1.913 0.0 ! theta_15Nnoesy_MeOH.866 
!no swap
!swapped hb2 for HB#) ; tyr
assign (resid 31 and name HN) (resid 31 and name HD1) 4.251 2.451 0.0 ! theta_15Nnoesy_MeOH.816 
!no swap
!no swap
assign (resid 31 and name HA) (resid 32 and name HB#) 4.295 2.495 0.0 ! theta_13C_noesy_800_MeOH.3883 
!no swap
!swapped hb1 for HB#) ; asn
assign (resid 31 and name HN) (resid 32 and name HN) 3.538 1.738 0.0 ! theta_15Nnoesy_MeOH.807 
!no swap
!no swap
assign (resid 32 and name HB#) (resid 32 and name HA) 2.573 0.773 0.0 ! theta_13C_noesy_800_MeOH.3255 
!swapped hb1 for HB#) ; asn
!no swap
assign (resid 32 and name HB#) (resid 32 and name HA) 2.438 0.638 0.0 ! theta_13C_noesy_800_MeOH.3241 
!swapped hb2 for HB#) ; asn
!no swap
assign (resid 32 and name HB#) (resid 32 and name HD2#) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.16452 
!swapped hb2 for HB#) ; asn
!no swap
assign (resid 32 and name HN) (resid 32 and name HA) 2.718 0.918 0.0 ! theta_15Nnoesy_MeOH.837 
!no swap
!no swap
assign (resid 32 and name HN) (resid 32 and name HB#) 3.431 1.631 0.0 ! theta_15Nnoesy_MeOH.863 
!no swap
!swapped hb1 for HB#) ; asn
assign (resid 32 and name HN) (resid 32 and name HB#) 3.490 1.69 0.0 ! theta_15Nnoesy_MeOH.851 
!no swap
!swapped hb2 for HB#) ; asn
assign (resid 32 and name HN) (resid 32 and name HD22) 4.640 2.84 0.0 ! theta_15Nnoesy_MeOH.742 
!no swap
!no swap
assign (resid 33 and name HN) (resid 32 and name HA) 3.292 1.492 0.0 ! theta_15Nnoesy_MeOH.594 
!no swap
!no swap
assign (resid 32 and name HN) (resid 33 and name HN) 3.503 1.703 0.0 ! theta_15Nnoesy_MeOH.796 
!no swap
!no swap
assign (resid 35 and name HA) (resid 25 and name HG*) 4.838 3.038 0.0 ! theta_13C_noesy_800_MeOH.3220 
!no swap
!swapped hg1# for HG*) ; val
assign (resid 35 and name HB) (resid 25 and name HG*) 4.700 2.9 0.0 ! theta_13C_noesy_800_MeOH.4616 
!no swap
!swapped hg1# for HG*) ; val
assign (resid 35 and name HG*) (resid 25 and name HA) 3.567 1.767 0.0 ! theta_13C_noesy_800_MeOH.1668 
!swapped hg1# for HG*) ; val
!no swap
assign (resid 35 and name HG*) (resid 25 and name HG*) 3.332 1.532 0.0 ! theta_13C_noesy_800_MeOH.1674 
!swapped hg1# for HG*) ; val
!swapped hg1# for HG*) ; val
assign (resid 25 and name HA) (resid 35 and name HG*) 3.515 1.715 0.0 ! theta_13C_noesy_800_MeOH.2072 
!no swap
!swapped hg2# for HG*) ; val
assign (resid 35 and name HG*) (resid 25 and name HG*) 3.942 2.142 0.0 ! theta_13C_noesy_800_MeOH.1995 
!swapped hg2# for HG*) ; val
!swapped hg1# for HG*) ; val
assign (resid 35 and name HB) (resid 28 and name HA) 4.203 2.403 0.0 ! theta_13C_noesy_800_MeOH.4610 
!no swap
!no swap
assign (resid 28 and name HA) (resid 35 and name HG*) 4.179 2.379 0.0 ! theta_13C_noesy_800_MeOH.3338 
!no swap
!swapped hg2# for HG*) ; val
assign (resid 28 and name HN) (resid 35 and name HG*) 4.158 2.358 0.0 ! theta_15Nnoesy_MeOH.711 
!no swap
!swapped hg2# for HG*) ; val
assign (resid 35 and name HG*) (resid 29 and name HG#) 3.331 1.531 0.0 ! theta_13C_noesy_800_MeOH.2000 
!swapped hg2# for HG*) ; val
!swapped hg1 for HG#) ; glu
assign (resid 29 and name HN) (resid 35 and name HG*) 3.967 2.167 0.0 ! theta_15Nnoesy_MeOH.700 
!no swap
!swapped hg2# for HG*) ; val
assign (resid 35 and name HG*) (resid 34 and name HA) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.11331 
!swapped hg2# for HG*) ; val
!no swap
assign (resid 35 and name HB) (resid 35 and name HA) 2.937 1.137 0.0 ! theta_13C_noesy_800_MeOH.4613 
!no swap
!no swap
assign (resid 35 and name HG*) (resid 35 and name HA) 2.830 1.03 0.0 ! theta_13C_noesy_800_MeOH.1664 
!swapped hg1# for HG*) ; val
!no swap
assign (resid 35 and name HG*) (resid 35 and name HB) 3.015 1.215 0.0 ! theta_13C_noesy_800_MeOH.1670 
!swapped hg1# for HG*) ; val
!no swap
assign (resid 35 and name HA) (resid 35 and name HG*) 2.740 0.94 0.0 ! theta_13C_noesy_800_MeOH.3221 
!no swap
!swapped hg2# for HG*) ; val
assign (resid 35 and name HG*) (resid 35 and name HB) 3.039 1.239 0.0 ! theta_13C_noesy_800_MeOH.2001 
!swapped hg2# for HG*) ; val
!no swap
assign (resid 35 and name HG*) (resid 35 and name HN) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.8036 
!swapped hg1# for HG*) ; val
!no swap
assign (resid 35 and name HA) (resid 36 and name HA) 4.255 2.455 0.0 ! theta_13C_noesy_800_MeOH.3215 
!no swap
!no swap
assign (resid 35 and name HG*) (resid 36 and name HA) 4.292 2.492 0.0 ! theta_13C_noesy_800_MeOH.1653 
!swapped hg1# for HG*) ; val
!no swap
assign (resid 35 and name HG*) (resid 36 and name HA) 4.166 2.366 0.0 ! theta_13C_noesy_800_MeOH.1982 
!swapped hg2# for HG*) ; val
!no swap
assign (resid 36 and name HN) (resid 35 and name HA) 3.383 1.583 0.0 ! theta_15Nnoesy_MeOH.51 
!no swap
!no swap
assign (resid 35 and name HG*) (resid 36 and name HN) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.7709 
!swapped hg1# for HG*) ; val
!no swap
assign (resid 35 and name HG*) (resid 36 and name HN) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.11326 
!swapped hg2# for HG*) ; val
!no swap
assign (resid 36 and name HA) (resid 36 and name HB) 3.179 1.379 0.0 ! theta_13C_noesy_800_MeOH.3761 
!no swap
!no swap
assign (resid 36 and name HA) (resid 36 and name HG1#) 2.857 1.057 0.0 ! theta_13C_noesy_800_MeOH.3718 
!no swap
!swapped hg11 for HG1#) ; ile
assign (resid 36 and name HG1#) (resid 36 and name HB) 2.797 0.997 0.0 ! theta_13C_noesy_800_MeOH.1271 
!swapped hg11 for HG1#) ; ile
!no swap
assign (resid 36 and name HG2#) (resid 36 and name HA) 2.517 0.717 0.0 ! theta_13C_noesy_800_MeOH.2319 
!no swap
!no swap
assign (resid 36 and name HG2#) (resid 36 and name HB) 2.377 0.577 0.0 ! theta_13C_noesy_800_MeOH.2323 
!no swap
!no swap
assign (resid 36 and name HG2#) (resid 36 and name HG1#) 2.200 0.4 0.0 ! theta_13C_noesy_800_MeOH.2324 
!no swap
!swapped hg11 for HG1#) ; ile
assign (resid 36 and name HA) (resid 36 and name HN) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.17994 
!no swap
!no swap
assign (resid 36 and name HN) (resid 36 and name HG1#) 3.624 1.824 0.0 ! theta_15Nnoesy_MeOH.63 
!no swap
!swapped hg11 for HG1#) ; ile
assign (resid 25 and name HG*) (resid 37 and name HA) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.6954 
!swapped hg1# for HG*) ; val
!no swap
assign (resid 37 and name HN) (resid 36 and name HA) 3.112 1.312 0.0 ! theta_15Nnoesy_MeOH.5 
!no swap
!no swap
assign (resid 37 and name HN) (resid 36 and name HG2#) 3.678 1.878 0.0 ! theta_15Nnoesy_MeOH.9 
!no swap
!no swap
assign (resid 37 and name HB#) (resid 37 and name HA) 2.837 1.037 0.0 ! theta_13C_noesy_800_MeOH.2241 
!no swap
!no swap
assign (resid 37 and name HN) (resid 37 and name HA) 3.761 1.961 0.0 ! theta_15Nnoesy_MeOH.6 
!no swap
!no swap
assign (resid 37 and name HN) (resid 37 and name HB#) 3.471 1.671 0.0 ! theta_15Nnoesy_MeOH.8 
!no swap
!no swap
assign (resid 36 and name HG2#) (resid 38 and name HG#) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.12561 
!no swap
!swapped hg1 for HG#) ; glu
assign (resid 38 and name HN) (resid 36 and name HG2#) 3.338 1.538 0.0 ! theta_15Nnoesy_MeOH.790 
!no swap
!no swap
assign (resid 38 and name HN) (resid 37 and name HB#) 3.359 1.559 0.0 ! theta_15Nnoesy_MeOH.778 
!no swap
!no swap
assign (resid 38 and name HN) (resid 37 and name HN) 3.899 2.099 0.0 ! theta_15Nnoesy_MeOH.728 
!no swap
!no swap
assign (resid 38 and name HA) (resid 38 and name HB#) 2.758 0.958 0.0 ! theta_13C_noesy_800_MeOH.3603 
!no swap
!swapped hb1 for HB#) ; glu
assign (resid 38 and name HA) (resid 38 and name HG#) 3.096 1.296 0.0 ! theta_13C_noesy_800_MeOH.3606 
!no swap
!swapped hg1 for HG#) ; glu
assign (resid 38 and name HA) (resid 38 and name HG#) 2.972 1.172 0.0 ! theta_13C_noesy_800_MeOH.3607 
!no swap
!swapped hg2 for HG#) ; glu
assign (resid 38 and name HN) (resid 38 and name HA) 3.181 1.381 0.0 ! theta_15Nnoesy_MeOH.752 
!no swap
!no swap
assign (resid 38 and name HN) (resid 38 and name HB#) 2.765 0.965 0.0 ! theta_15Nnoesy_MeOH.777 
!no swap
!swapped hb1 for HB#) ; glu
assign (resid 38 and name HN) (resid 38 and name HG#) 3.287 1.487 0.0 ! theta_15Nnoesy_MeOH.772 
!no swap
!swapped hg1 for HG#) ; glu
assign (resid 36 and name HG2#) (resid 39 and name HA) 3.505 1.705 0.0 ! theta_13C_noesy_800_MeOH.2320 
!no swap
!no swap
assign (resid 37 and name HN) (resid 39 and name HN) 4.664 2.864 0.0 ! theta_15Nnoesy_MeOH.3 
!no swap
!no swap
assign (resid 38 and name HN) (resid 39 and name HN) 3.324 1.524 0.0 ! theta_15Nnoesy_MeOH.741 
!no swap
!no swap
assign (resid 39 and name HA) (resid 39 and name HB#) 2.535 0.735 0.0 ! theta_13C_noesy_800_MeOH.534 
!no swap
!no swap
assign (resid 39 and name HN) (resid 39 and name HA) 3.294 1.494 0.0 ! theta_15Nnoesy_MeOH.443 
!no swap
!no swap
assign (resid 39 and name HB#) (resid 39 and name HN) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.12542 
!no swap
!no swap
assign (resid 25 and name HG*) (resid 40 and name HA) 3.830 2.03 0.0 ! theta_13C_noesy_800_MeOH.1520 
!swapped hg1# for HG*) ; val
!no swap
assign (resid 25 and name HG*) (resid 40 and name HB) 3.538 1.738 0.0 ! theta_13C_noesy_800_MeOH.1522 
!swapped hg1# for HG*) ; val
!no swap
assign (resid 40 and name HG*) (resid 25 and name HG*) 3.168 1.368 0.0 ! theta_13C_noesy_800_MeOH.1792 
!swapped hg1# for HG*) ; val
!swapped hg1# for HG*) ; val
assign (resid 40 and name HN) (resid 25 and name HG*) 4.607 2.807 0.0 ! theta_15Nnoesy_MeOH.721 
!no swap
!swapped hg1# for HG*) ; val
assign (resid 40 and name HN) (resid 38 and name HN) 4.695 2.895 0.0 ! theta_15Nnoesy_MeOH.534 
!no swap
!no swap
assign (resid 40 and name HN) (resid 39 and name HB#) 3.677 1.877 0.0 ! theta_15Nnoesy_MeOH.695 
!no swap
!no swap
assign (resid 40 and name HG*) (resid 40 and name HA) 3.087 1.287 0.0 ! theta_13C_noesy_800_MeOH.1782 
!swapped hg1# for HG*) ; val
!no swap
assign (resid 40 and name HG*) (resid 40 and name HB) 2.847 1.047 0.0 ! theta_13C_noesy_800_MeOH.1788 
!swapped hg1# for HG*) ; val
!no swap
assign (resid 40 and name HN) (resid 40 and name HA) 3.816 2.016 0.0 ! theta_15Nnoesy_MeOH.643 
!no swap
!no swap
assign (resid 40 and name HN) (resid 40 and name HB) 3.234 1.434 0.0 ! theta_15Nnoesy_MeOH.694 
!no swap
!no swap
assign (resid 40 and name HG*) (resid 40 and name HN) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.9107 
!swapped hg1# for HG*) ; val
!no swap
assign (resid 40 and name HN) (resid 41 and name HN) 3.886 2.086 0.0 ! theta_15Nnoesy_MeOH.578 
!no swap
!no swap
assign (resid 41 and name HG#) (resid 41 and name HN) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.17145 
!swapped hg1 for HG#) ; glu
!no swap
assign (resid 39 and name HA) (resid 42 and name HA) 4.025 2.225 0.0 ! theta_13C_noesy_800_MeOH.531 
!no swap
!no swap
assign (resid 39 and name HA) (resid 42 and name HD#) 3.346 1.546 0.0 ! theta_13C_noesy_800_MeOH.532 
!no swap
!swapped hd1 for HD#) ; arg
assign (resid 39 and name HB#) (resid 42 and name HD#) 3.942 2.142 0.0 ! theta_13C_noesy_800_MeOH.2376 
!no swap
!swapped hd1 for HD#) ; arg
assign (resid 42 and name HN) (resid 39 and name HA) 3.433 1.633 0.0 ! theta_15Nnoesy_MeOH.843 
!no swap
!no swap
assign (resid 42 and name HN) (resid 40 and name HG*) 4.894 3.094 0.0 ! theta_15Nnoesy_MeOH.889 
!no swap
!swapped hg1# for HG*) ; val
assign (resid 41 and name HN) (resid 42 and name HN) 3.424 1.624 0.0 ! theta_15Nnoesy_MeOH.135 
!no swap
!no swap
assign (resid 42 and name HA) (resid 42 and name HD#) 2.951 1.151 0.0 ! theta_13C_noesy_800_MeOH.3972 
!no swap
!swapped hd1 for HD#) ; arg
assign (resid 42 and name HA) (resid 42 and name HG#) 2.829 1.029 0.0 ! theta_13C_noesy_800_MeOH.3979 
!no swap
!swapped hg1 for HG#) ; arg
assign (resid 42 and name HN) (resid 42 and name HA) 3.271 1.471 0.0 ! theta_15Nnoesy_MeOH.854 
!no swap
!no swap
assign (resid 42 and name HN) (resid 42 and name HD#) 3.876 2.076 0.0 ! theta_15Nnoesy_MeOH.855 
!no swap
!swapped hd1 for HD#) ; arg
assign (resid 43 and name HN) (resid 40 and name HA) 4.245 2.445 0.0 ! theta_15Nnoesy_MeOH.769 
!no swap
!no swap
assign (resid 43 and name HN) (resid 42 and name HA) 4.095 2.295 0.0 ! theta_15Nnoesy_MeOH.768 
!no swap
!no swap
assign (resid 43 and name HN) (resid 42 and name HD#) 4.872 3.072 0.0 ! theta_15Nnoesy_MeOH.770 
!no swap
!swapped hd1 for HD#) ; arg
assign (resid 43 and name HN) (resid 43 and name HA) 3.389 1.589 0.0 ! theta_15Nnoesy_MeOH.764 
!no swap
!no swap
assign (resid 43 and name HN) (resid 43 and name HG#) 3.398 1.598 0.0 ! theta_15Nnoesy_MeOH.774 
!no swap
!swapped hg1 for HG#) ; glu
assign (resid 18 and name HA) (resid 44 and name HB#) 4.427 2.627 0.0 ! theta_13C_noesy_800_MeOH.2221 
!no swap
!swapped hb1 for HB#) ; gln
assign (resid 44 and name HN) (resid 43 and name HN) 3.277 1.477 0.0 ! theta_15Nnoesy_MeOH.743 
!no swap
!no swap
assign (resid 44 and name HA) (resid 44 and name HG#) 3.987 2.187 0.0 ! theta_13C_noesy_800_MeOH.1077 
!no swap
!swapped hg1 for HG#) ; gln
assign (resid 44 and name HA) (resid 44 and name HG#) 3.737 1.937 0.0 ! theta_13C_noesy_800_MeOH.1079 
!no swap
!swapped hg2 for HG#) ; gln
assign (resid 44 and name HA) (resid 45 and name HD#) 3.555 1.755 0.0 ! theta_13C_noesy_800_MeOH.1082 
!no swap
!swapped hd1 for HD#) ; pro
assign (resid 44 and name HA) (resid 45 and name HD#) 3.698 1.898 0.0 ! theta_13C_noesy_800_MeOH.1074 
!no swap
!swapped hd2 for HD#) ; pro
assign (resid 45 and name HA) (resid 45 and name HB#) 2.938 1.138 0.0 ! theta_13C_noesy_800_MeOH.2873 
!no swap
!swapped hb1 for HB#) ; pro
assign (resid 45 and name HA) (resid 45 and name HB#) 2.791 0.991 0.0 ! theta_13C_noesy_800_MeOH.2877 
!no swap
!swapped hb2 for HB#) ; pro
assign (resid 45 and name HA) (resid 45 and name HD#) 3.962 2.162 0.0 ! theta_13C_noesy_800_MeOH.2876 
!no swap
!swapped hd2 for HD#) ; pro
assign (resid 46 and name HN) (resid 45 and name HA) 2.958 1.158 0.0 ! theta_15Nnoesy_MeOH.139 
!no swap
!no swap
assign (resid 46 and name HN) (resid 45 and name HB#) 3.903 2.103 0.0 ! theta_15Nnoesy_MeOH.172 
!no swap
!swapped hb1 for HB#) ; pro
assign (resid 46 and name HA) (resid 46 and name HB#) 2.817 1.017 0.0 ! theta_13C_noesy_800_MeOH.3360 
!no swap
!swapped hb1 for HB#) ; glu
assign (resid 46 and name HG#) (resid 46 and name HA) 2.607 0.807 0.0 ! theta_13C_noesy_800_MeOH.3544 
!swapped hg1 for HG#) ; glu
!no swap
assign (resid 46 and name HN) (resid 46 and name HA) 3.640 1.84 0.0 ! theta_15Nnoesy_MeOH.158 
!no swap
!no swap
assign (resid 11 and name HG2#) (resid 47 and name HD2) 4.236 2.436 0.0 ! theta_13C_noesy_800_MeOH.1862 
!no swap
!no swap
assign (resid 46 and name HG#) (resid 47 and name HA) 3.729 1.929 0.0 ! theta_13C_noesy_800_MeOH.3543 
!swapped hg1 for HG#) ; glu
!no swap
assign (resid 47 and name HA) (resid 47 and name HB#) 2.732 0.932 0.0 ! theta_13C_noesy_800_MeOH.3996 
!no swap
!swapped hb1 for HB#) ; his
assign (resid 47 and name HA) (resid 47 and name HB#) 2.770 0.97 0.0 ! theta_13C_noesy_800_MeOH.3997 
!no swap
!swapped hb2 for HB#) ; his
assign (resid 47 and name HA) (resid 47 and name HD2) 3.676 1.876 0.0 ! theta_13C_noesy_800_MeOH.3990 
!no swap
!no swap
assign (resid 47 and name HD2) (resid 47 and name HB#) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.8925 
!no swap
!swapped hb1 for HB#) ; his
assign (resid 47 and name HD2) (resid 47 and name HB#) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.8538 
!no swap
!swapped hb2 for HB#) ; his
assign (resid 11 and name HG2#) (resid 48 and name HD*) 3.678 1.878 0.0 ! theta_13C_noesy_800_MeOH.1859 
!no swap
!swapped hd1# for HD*) ; leu
assign (resid 14 and name HA) (resid 48 and name HD*) 3.959 2.159 0.0 ! theta_13C_noesy_800_MeOH.4207 
!no swap
!swapped hd1# for HD*) ; leu
assign (resid 14 and name HB#) (resid 48 and name HD*) 3.873 2.073 0.0 ! theta_13C_noesy_800_MeOH.2760 
!swapped hb1 for HB#) ; asp
!swapped hd1# for HD*) ; leu
assign (resid 48 and name HD*) (resid 14 and name HB#) 3.729 1.929 0.0 ! theta_13C_noesy_800_MeOH.1717 
!swapped hd1# for HD*) ; leu
!swapped hb2 for HB#) ; asp
assign (resid 48 and name HD*) (resid 15 and name HA) 3.796 1.996 0.0 ! theta_13C_noesy_800_MeOH.1731 
!swapped hd1# for HD*) ; leu
!no swap
assign (resid 15 and name HN) (resid 48 and name HD*) 4.648 2.848 0.0 ! theta_15Nnoesy_MeOH.718 
!no swap
!swapped hd1# for HD*) ; leu
assign (resid 15 and name HA) (resid 48 and name HG) 3.511 1.711 0.0 ! theta_13C_noesy_800_MeOH.3396 
!no swap
!no swap
assign (resid 15 and name HN) (resid 48 and name HG) 3.658 1.858 0.0 ! theta_15Nnoesy_MeOH.716 
!no swap
!no swap
assign (resid 48 and name HD*) (resid 17 and name HB#) 4.574 2.774 0.0 ! theta_13C_noesy_800_MeOH.1715 
!swapped hd1# for HD*) ; leu
!swapped hb2 for HB#) ; asn
assign (resid 48 and name HD*) (resid 18 and name HA) 4.367 2.567 0.0 ! theta_13C_noesy_800_MeOH.1714 
!swapped hd1# for HD*) ; leu
!no swap
assign (resid 18 and name HA) (resid 48 and name HG) 4.444 2.644 0.0 ! theta_13C_noesy_800_MeOH.2214 
!no swap
!no swap
assign (resid 45 and name HB#) (resid 48 and name HD*) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.20795 
!swapped hb1 for HB#) ; pro
!swapped hd1# for HD*) ; leu
assign (resid 48 and name HD*) (resid 45 and name HB#) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.8078 
!swapped hd1# for HD*) ; leu
!swapped hb2 for HB#) ; pro
assign (resid 47 and name HA) (resid 48 and name HD*) 5.206 3.406 0.0 ! theta_13C_noesy_800_MeOH.4000 
!no swap
!swapped hd1# for HD*) ; leu
assign (resid 47 and name HB#) (resid 48 and name HD*) 4.491 2.691 0.0 ! theta_13C_noesy_800_MeOH.853 
!swapped hb1 for HB#) ; his
!swapped hd1# for HD*) ; leu
assign (resid 48 and name HD*) (resid 47 and name HD2) 3.432 1.632 0.0 ! theta_13C_noesy_800_MeOH.1728 
!swapped hd1# for HD*) ; leu
!no swap
assign (resid 48 and name HB#) (resid 48 and name HA) 4.692 2.892 0.0 ! theta_13C_noesy_800_MeOH.1969 
!swapped hb1 for HB#) ; leu
!no swap
assign (resid 48 and name HD*) (resid 48 and name HA) 2.889 1.089 0.0 ! theta_13C_noesy_800_MeOH.1729 
!swapped hd1# for HD*) ; leu
!no swap
assign (resid 48 and name HD*) (resid 48 and name HB#) 3.143 1.343 0.0 ! theta_13C_noesy_800_MeOH.1734 
!swapped hd1# for HD*) ; leu
!swapped hb1 for HB#) ; leu
assign (resid 48 and name HD*) (resid 48 and name HG) 3.035 1.235 0.0 ! theta_13C_noesy_800_MeOH.1721 
!swapped hd1# for HD*) ; leu
!no swap
assign (resid 48 and name HN) (resid 48 and name HB#) 3.419 1.619 0.0 ! theta_15Nnoesy_MeOH.501 
!no swap
!swapped hb1 for HB#) ; leu
assign (resid 48 and name HD*) (resid 48 and name HN) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.8070 
!swapped hd1# for HD*) ; leu
!no swap
assign (resid 49 and name HA) (resid 46 and name HA) 3.655 1.855 0.0 ! theta_13C_noesy_800_MeOH.3143 
!no swap
!no swap
assign (resid 48 and name HN) (resid 49 and name HN) 3.302 1.502 0.0 ! theta_15Nnoesy_MeOH.412 
!no swap
!no swap
assign (resid 49 and name HN) (resid 49 and name HA) 3.819 2.019 0.0 ! theta_15Nnoesy_MeOH.272 
!no swap
!no swap
assign (resid 50 and name HN) (resid 49 and name HN) 4.434 2.634 0.0 ! theta_15Nnoesy_MeOH.731 
!no swap
!no swap
assign (resid 50 and name HN) (resid 50 and name HA) 4.097 2.297 0.0 ! theta_15Nnoesy_MeOH.754 
!no swap
!no swap
assign (resid 50 and name HN) (resid 50 and name HB#) 3.611 1.811 0.0 ! theta_15Nnoesy_MeOH.755 
!no swap
!swapped hb2 for HB#) ; ser
assign (resid 51 and name HD1) (resid 15 and name HA) 3.966 2.166 0.0 ! theta_13C_noesy_800_MeOH.551 
!no swap
!no swap
assign (resid 51 and name HE1) (resid 15 and name HA) 3.426 1.626 0.0 ! theta_15Nnoesy_MeOH.54 
!no swap
!no swap
assign (resid 51 and name HH2) (resid 15 and name HA) 4.805 3.005 0.0 ! theta_13C_noesy_800_MeOH.1172 
!no swap
!no swap
assign (resid 18 and name HN) (resid 51 and name HD1) 4.295 2.495 0.0 ! theta_15Nnoesy_MeOH.235 
!no swap
!no swap
assign (resid 18 and name HN) (resid 51 and name HE1) 4.576 2.776 0.0 ! theta_15Nnoesy_MeOH.186 
!no swap
!no swap
assign (resid 51 and name HE1) (resid 19 and name HN) 3.696 1.896 0.0 ! theta_15Nnoesy_MeOH.29 
!no swap
!no swap
assign (resid 51 and name HZ2) (resid 19 and name HB#) 3.649 1.849 0.0 ! theta_13C_noesy_800_MeOH.2467 
!no swap
!swapped hb1 for HB#) ; asp
assign (resid 51 and name HZ2) (resid 19 and name HB#) 4.629 2.829 0.0 ! theta_13C_noesy_800_MeOH.2466 
!no swap
!swapped hb2 for HB#) ; asp
assign (resid 48 and name HD*) (resid 51 and name HA) 4.198 2.398 0.0 ! theta_13C_noesy_800_MeOH.1730 
!swapped hd1# for HD*) ; leu
!no swap
assign (resid 51 and name HB#) (resid 48 and name HD*) 4.510 2.71 0.0 ! theta_13C_noesy_800_MeOH.929 
!swapped hb1 for HB#) ; trp
!swapped hd1# for HD*) ; leu
assign (resid 48 and name HD*) (resid 51 and name HB#) 3.417 1.617 0.0 ! theta_13C_noesy_800_MeOH.1733 
!swapped hd1# for HD*) ; leu
!swapped hb2 for HB#) ; trp
assign (resid 48 and name HD*) (resid 51 and name HD1) 3.689 1.889 0.0 ! theta_13C_noesy_800_MeOH.1713 
!swapped hd1# for HD*) ; leu
!no swap
assign (resid 51 and name HZ2) (resid 48 and name HD*) 5.317 3.517 0.0 ! theta_13C_noesy_800_MeOH.2462 
!no swap
!swapped hd1# for HD*) ; leu
assign (resid 51 and name HZ2) (resid 48 and name HG) 4.501 2.701 0.0 ! theta_13C_noesy_800_MeOH.2500 
!no swap
!no swap
assign (resid 48 and name HD*) (resid 51 and name HZ3) 4.463 2.663 0.0 ! theta_13C_noesy_800_MeOH.1712 
!swapped hd1# for HD*) ; leu
!no swap
assign (resid 50 and name HN) (resid 51 and name HN) 4.328 2.528 0.0 ! theta_15Nnoesy_MeOH.730 
!no swap
!no swap
assign (resid 51 and name HA) (resid 51 and name HB#) 3.249 1.449 0.0 ! theta_13C_noesy_800_MeOH.3565 
!no swap
!swapped hb1 for HB#) ; trp
assign (resid 51 and name HD1) (resid 51 and name HB#) 4.027 2.227 0.0 ! theta_13C_noesy_800_MeOH.552 
!no swap
!swapped hb1 for HB#) ; trp
assign (resid 51 and name HD1) (resid 51 and name HB#) 4.254 2.454 0.0 ! theta_13C_noesy_800_MeOH.553 
!no swap
!swapped hb2 for HB#) ; trp
assign (resid 51 and name HN) (resid 51 and name HA) 3.548 1.748 0.0 ! theta_15Nnoesy_MeOH.99 
!no swap
!no swap
assign (resid 51 and name HN) (resid 51 and name HB#) 3.068 1.268 0.0 ! theta_15Nnoesy_MeOH.105 
!no swap
!swapped hb1 for HB#) ; trp
assign (resid 51 and name HB#) (resid 51 and name HN) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.2655 
!swapped hb2 for HB#) ; trp
!no swap
!assign (resid 51 and name HA) (resid 51 and name HZ3) 3.346 1.546 0.0 ! theta_13C_noesy_800_MeOH.3561 
!no swap
!no swap
assign (resid 51 and name HZ3) (resid 51 and name HB#) 4.019 2.219 0.0 ! theta_13C_noesy_800_MeOH.1408 
!no swap
!swapped hb1 for HB#) ; trp
assign (resid 18 and name HA) (resid 52 and name HD1) 4.280 2.48 0.0 ! theta_13C_noesy_800_MeOH.2223 
!no swap
!no swap
assign (resid 18 and name HA) (resid 52 and name HE1) 4.189 2.389 0.0 ! theta_13C_noesy_800_MeOH.2224 
!no swap
!no swap
assign (resid 21 and name HB#) (resid 52 and name HD1) 3.983 2.183 0.0 ! theta_13C_noesy_800_MeOH.2606 
!no swap
!no swap
assign (resid 21 and name HB#) (resid 52 and name HE1) 3.625 1.825 0.0 ! theta_13C_noesy_800_MeOH.2607 
!no swap
!no swap
assign (resid 21 and name HN) (resid 52 and name HE1) 4.949 3.149 0.0 ! theta_15Nnoesy_MeOH.134 
!no swap
!no swap
assign (resid 22 and name HA) (resid 52 and name HE1) 3.516 1.716 0.0 ! theta_13C_noesy_800_MeOH.5295 
!no swap
!no swap
assign (resid 22 and name HB#) (resid 52 and name HE1) 3.899 2.099 0.0 ! theta_13C_noesy_800_MeOH.2524 
!no swap
!no swap
assign (resid 25 and name HG*) (resid 52 and name HE1) 3.487 1.687 0.0 ! theta_13C_noesy_800_MeOH.1518 
!swapped hg1# for HG*) ; val
!no swap
assign (resid 37 and name HA) (resid 52 and name HE1) 4.557 2.757 0.0 ! theta_13C_noesy_800_MeOH.4434 
!no swap
!no swap
assign (resid 37 and name HB#) (resid 52 and name HE1) 3.902 2.102 0.0 ! theta_13C_noesy_800_MeOH.2240 
!no swap
!no swap
assign (resid 52 and name HE1) (resid 40 and name HB) 4.371 2.571 0.0 ! theta_13C_noesy_800_MeOH.4343 
!no swap
!no swap
assign (resid 40 and name HG*) (resid 52 and name HE1) 3.795 1.995 0.0 ! theta_13C_noesy_800_MeOH.1797 
!swapped hg1# for HG*) ; val
!no swap
assign (resid 52 and name HN) (resid 51 and name HN) 3.660 1.86 0.0 ! theta_15Nnoesy_MeOH.553 
!no swap
!no swap
assign (resid 52 and name HD1) (resid 52 and name HB#) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.17426 
!no swap
!swapped hb1 for HB#) ; phe
assign (resid 52 and name HN) (resid 52 and name HB#) 3.121 1.321 0.0 ! theta_15Nnoesy_MeOH.622 
!no swap
!swapped hb1 for HB#) ; phe
assign (resid 52 and name HN) (resid 52 and name HB#) 3.518 1.718 0.0 ! theta_15Nnoesy_MeOH.645 
!no swap
!swapped hb2 for HB#) ; phe
assign (resid 53 and name HN) (resid 50 and name HA) 4.182 2.382 0.0 ! theta_15Nnoesy_MeOH.604 
!no swap
!no swap
assign (resid 53 and name HA) (resid 52 and name HD1) 4.276 2.476 0.0 ! theta_13C_noesy_800_MeOH.3432 
!no swap
!no swap
!assign (resid 53 and name HA) (resid 52 and name HE1) 4.564 2.764 0.0 ! theta_13C_noesy_800_MeOH.3438 
!no swap
!no swap
assign (resid 52 and name HN) (resid 53 and name HN) 3.754 1.954 0.0 ! theta_15Nnoesy_MeOH.552 
!no swap
!no swap
assign (resid 53 and name HA) (resid 53 and name HB#) 3.286 1.486 0.0 ! theta_13C_noesy_800_MeOH.3435 
!no swap
!swapped hb1 for HB#) ; arg
assign (resid 53 and name HA) (resid 53 and name HD#) 4.107 2.307 0.0 ! theta_13C_noesy_800_MeOH.3430 
!no swap
!swapped hd1 for HD#) ; arg
assign (resid 53 and name HA) (resid 53 and name HD#) 4.276 2.476 0.0 ! theta_13C_noesy_800_MeOH.3433 
!no swap
!swapped hd2 for HD#) ; arg
assign (resid 53 and name HG#) (resid 53 and name HA) 3.518 1.718 0.0 ! theta_13C_noesy_800_MeOH.1066 
!swapped hg1 for HG#) ; arg
!no swap
assign (resid 53 and name HN) (resid 53 and name HA) 3.199 1.399 0.0 ! theta_15Nnoesy_MeOH.627 
!no swap
!no swap
assign (resid 53 and name HN) (resid 53 and name HB#) 3.303 1.503 0.0 ! theta_15Nnoesy_MeOH.676 
!no swap
!swapped hb1 for HB#) ; arg
assign (resid 53 and name HN) (resid 53 and name HG#) 3.549 1.749 0.0 ! theta_15Nnoesy_MeOH.677 
!no swap
!swapped hg1 for HG#) ; arg
assign (resid 54 and name HA) (resid 51 and name HA) 4.599 2.799 0.0 ! theta_13C_noesy_800_MeOH.3768 
!no swap
!no swap
assign (resid 51 and name HA) (resid 54 and name HB#) 3.455 1.655 0.0 ! theta_13C_noesy_800_MeOH.3567 
!no swap
!swapped hb1 for HB#) ; glu
assign (resid 51 and name HA) (resid 54 and name HG#) 3.212 1.412 0.0 ! theta_13C_noesy_800_MeOH.3566 
!no swap
!swapped hg1 for HG#) ; glu
assign (resid 54 and name HA) (resid 53 and name HB#) 3.192 1.392 0.0 ! theta_13C_noesy_800_MeOH.3775 
!no swap
!swapped hb1 for HB#) ; arg
assign (resid 54 and name HA) (resid 54 and name HG#) 2.618 0.818 0.0 ! theta_13C_noesy_800_MeOH.3773 
!no swap
!swapped hg1 for HG#) ; glu
assign (resid 54 and name HA) (resid 54 and name HG#) 3.164 1.364 0.0 ! theta_13C_noesy_800_MeOH.3772 
!no swap
!swapped hg2 for HG#) ; glu
assign (resid 55 and name HN) (resid 22 and name HB#) 4.753 2.953 0.0 ! theta_15Nnoesy_MeOH.708 
!no swap
!no swap
assign (resid 55 and name HN) (resid 54 and name HN) 3.805 2.005 0.0 ! theta_15Nnoesy_MeOH.563 
!no swap
!no swap
assign (resid 55 and name HN) (resid 55 and name HA) 4.004 2.204 0.0 ! theta_15Nnoesy_MeOH.631 
!no swap
!no swap
assign (resid 55 and name HN) (resid 55 and name HG#) 3.927 2.127 0.0 ! theta_15Nnoesy_MeOH.710 
!no swap
!swapped hg1 for HG#) ; arg
assign (resid 22 and name HB#) (resid 56 and name HN) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.12887 
!no swap
!no swap
assign (resid 56 and name HD*) (resid 26 and name HB#) 3.870 2.07 0.0 ! theta_13C_noesy_800_MeOH.1258 
!swapped hd1# for HD*) ; leu
!no swap
assign (resid 26 and name HB#) (resid 56 and name HD*) 3.667 1.867 0.0 ! theta_13C_noesy_800_MeOH.2292 
!no swap
!swapped hd2# for HD*) ; leu
assign (resid 56 and name HD*) (resid 37 and name HB#) 3.346 1.546 0.0 ! theta_13C_noesy_800_MeOH.1264 
!swapped hd1# for HD*) ; leu
!no swap
assign (resid 56 and name HG) (resid 51 and name HD1) 3.300 1.5 1.7 ! theta_13C_noesy_800_MeOH.1241 
!no swap
!no swap
assign (resid 56 and name HD*) (resid 52 and name HE1) 4.475 2.675 0.0 ! theta_13C_noesy_800_MeOH.1286 
!swapped hd1# for HD*) ; leu
!no swap
assign (resid 52 and name HD1) (resid 56 and name HG) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.17425 
!no swap
!no swap
assign (resid 52 and name HE1) (resid 56 and name HG) 3.734 1.934 0.0 ! theta_13C_noesy_800_MeOH.4344 
!no swap
!no swap
assign (resid 53 and name HA) (resid 56 and name HG) 3.379 1.579 0.0 ! theta_13C_noesy_800_MeOH.3439 
!no swap
!no swap
assign (resid 55 and name HN) (resid 56 and name HN) 4.161 2.361 0.0 ! theta_15Nnoesy_MeOH.544 
!no swap
!no swap
assign (resid 56 and name HB#) (resid 56 and name HA) 4.341 2.541 0.0 ! theta_13C_noesy_800_MeOH.2657 
!swapped hb1 for HB#) ; leu
!no swap
assign (resid 56 and name HB#) (resid 56 and name HD*) 4.594 2.794 0.0 ! theta_13C_noesy_800_MeOH.2658 
!swapped hb1 for HB#) ; leu
!swapped hd1# for HD*) ; leu
assign (resid 54 and name HA) (resid 57 and name HA) 4.459 2.659 0.0 ! theta_13C_noesy_800_MeOH.3771 
!no swap
!no swap
assign (resid 57 and name HB) (resid 54 and name HA) 3.587 1.787 0.0 ! theta_13C_noesy_800_MeOH.3133 
!no swap
!no swap
assign (resid 54 and name HA) (resid 57 and name HG1#) 3.877 2.077 0.0 ! theta_13C_noesy_800_MeOH.3776 
!no swap
!swapped hg11 for HG1#) ; ile
assign (resid 54 and name HA) (resid 57 and name HG2#) 3.216 1.416 0.0 ! theta_13C_noesy_800_MeOH.3777 
!no swap
!no swap
assign (resid 56 and name HN) (resid 57 and name HN) 4.208 2.408 0.0 ! theta_15Nnoesy_MeOH.204 
!no swap
!no swap
assign (resid 57 and name HB) (resid 57 and name HA) 3.733 1.933 0.0 ! theta_13C_noesy_800_MeOH.3134 
!no swap
!no swap
assign (resid 57 and name HA) (resid 57 and name HG1#) 3.354 1.554 0.0 ! theta_13C_noesy_800_MeOH.2511 
!no swap
!swapped hg11 for HG1#) ; ile
assign (resid 57 and name HG1#) (resid 57 and name HB) 3.223 1.423 0.0 ! theta_13C_noesy_800_MeOH.915 
!swapped hg11 for HG1#) ; ile
!no swap
assign (resid 57 and name HG2#) (resid 57 and name HA) 3.032 1.232 0.0 ! theta_13C_noesy_800_MeOH.2676 
!no swap
!no swap
assign (resid 57 and name HB) (resid 57 and name HG2#) 2.821 1.021 0.0 ! theta_13C_noesy_800_MeOH.3139 
!no swap
!no swap
assign (resid 57 and name HG2#) (resid 57 and name HG1#) 2.672 0.872 0.0 ! theta_13C_noesy_800_MeOH.2680 
!no swap
!swapped hg11 for HG1#) ; ile
assign (resid 57 and name HN) (resid 57 and name HG1#) 3.465 1.665 0.0 ! theta_15Nnoesy_MeOH.719 
!no swap
!swapped hg11 for HG1#) ; ile
assign (resid 57 and name HN) (resid 57 and name HG2#) 3.440 1.64 0.0 ! theta_15Nnoesy_MeOH.720 
!no swap
!no swap
assign (resid 58 and name HB#) (resid 55 and name HA) 3.601 1.801 0.0 ! theta_13C_noesy_800_MeOH.2632 
!no swap
!no swap
assign (resid 57 and name HG2#) (resid 58 and name HA) 3.365 1.565 0.0 ! theta_13C_noesy_800_MeOH.2674 
!no swap
!no swap
assign (resid 58 and name HB#) (resid 57 and name HN) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.13203 
!no swap
!no swap
assign (resid 58 and name HN) (resid 57 and name HG2#) 3.560 1.76 0.0 ! theta_15Nnoesy_MeOH.533 
!no swap
!no swap
assign (resid 58 and name HN) (resid 57 and name HN) 3.612 1.812 0.0 ! theta_15Nnoesy_MeOH.231 
!no swap
!no swap
assign (resid 58 and name HB#) (resid 58 and name HA) 2.601 0.801 0.0 ! theta_13C_noesy_800_MeOH.2643 
!no swap
!no swap
assign (resid 58 and name HB#) (resid 58 and name HN) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.13196 
!no swap
!no swap
assign (resid 22 and name HB#) (resid 59 and name HD2) 4.193 2.393 0.0 ! theta_13C_noesy_800_MeOH.2525 
!no swap
!no swap
assign (resid 23 and name HA) (resid 59 and name HB#) 3.793 1.993 0.0 ! theta_13C_noesy_800_MeOH.5379 
!no swap
!swapped hb1 for HB#) ; his
assign (resid 23 and name HA) (resid 59 and name HB#) 4.099 2.299 0.0 ! theta_13C_noesy_800_MeOH.5378 
!no swap
!swapped hb2 for HB#) ; his
assign (resid 23 and name HA) (resid 59 and name HD2) 4.410 2.61 0.0 ! theta_13C_noesy_800_MeOH.5374 
!no swap
!no swap
assign (resid 23 and name HB#) (resid 59 and name HD2) 4.882 3.082 0.0 ! theta_13C_noesy_800_MeOH.2731 
!no swap
!no swap
assign (resid 26 and name HB#) (resid 59 and name HB#) 4.115 2.315 0.0 ! theta_13C_noesy_800_MeOH.2286 
!no swap
!swapped hb1 for HB#) ; his
assign (resid 26 and name HN) (resid 59 and name HB#) 4.456 2.656 0.0 ! theta_15Nnoesy_MeOH.474 
!no swap
!swapped hb1 for HB#) ; his
assign (resid 26 and name HB#) (resid 59 and name HB#) 4.088 2.288 0.0 ! theta_13C_noesy_800_MeOH.2279 
!no swap
!swapped hb2 for HB#) ; his
assign (resid 59 and name HN) (resid 58 and name HA) 4.103 2.303 0.0 ! theta_15Nnoesy_MeOH.619 
!no swap
!no swap
assign (resid 59 and name HN) (resid 58 and name HB#) 3.840 2.04 0.0 ! theta_15Nnoesy_MeOH.696 
!no swap
!no swap
assign (resid 58 and name HN) (resid 59 and name HN) 3.723 1.923 0.0 ! theta_15Nnoesy_MeOH.199 
!no swap
!no swap
assign (resid 59 and name HA) (resid 59 and name HB#) 4.185 2.385 0.0 ! theta_13C_noesy_800_MeOH.3583 
!no swap
!swapped hb1 for HB#) ; his
assign (resid 59 and name HA) (resid 59 and name HB#) 4.271 2.471 0.0 ! theta_13C_noesy_800_MeOH.3582 
!no swap
!swapped hb2 for HB#) ; his
assign (resid 59 and name HN) (resid 59 and name HA) 3.994 2.194 0.0 ! theta_15Nnoesy_MeOH.590 
!no swap
!no swap
assign (resid 60 and name HA) (resid 26 and name HB#) 4.661 2.861 0.0 ! theta_13C_noesy_800_MeOH.3497 
!no swap
!no swap
assign (resid 60 and name HN) (resid 26 and name HB#) 4.671 2.871 0.0 ! theta_15Nnoesy_MeOH.311 
!no swap
!no swap
assign (resid 60 and name HN) (resid 57 and name HA) 4.455 2.655 0.0 ! theta_15Nnoesy_MeOH.273 
!no swap
!no swap
assign (resid 60 and name HN) (resid 60 and name HA) 3.753 1.953 0.0 ! theta_15Nnoesy_MeOH.246 
!no swap
!no swap
assign (resid 61 and name HB#) (resid 58 and name HA) 3.675 1.875 0.0 ! theta_13C_noesy_800_MeOH.2581 
!swapped hb1 for HB#) ; leu
!no swap
assign (resid 58 and name HA) (resid 61 and name HG) 3.187 1.387 0.0 ! theta_13C_noesy_800_MeOH.4996 
!no swap
!no swap
assign (resid 60 and name HN) (resid 61 and name HN) 3.921 2.121 0.0 ! theta_15Nnoesy_MeOH.200 
!no swap
!no swap
assign (resid 61 and name HB#) (resid 61 and name HA) 3.411 1.611 0.0 ! theta_13C_noesy_800_MeOH.2584 
!swapped hb1 for HB#) ; leu
!no swap
assign (resid 61 and name HB#) (resid 61 and name HD*) 2.912 1.112 0.0 ! theta_13C_noesy_800_MeOH.2583 
!swapped hb1 for HB#) ; leu
!swapped hd1# for HD*) ; leu
assign (resid 27 and name HD1) (resid 62 and name HB#) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.17752 
!no swap
!no swap
assign (resid 59 and name HA) (resid 62 and name HB#) 3.950 2.15 0.0 ! theta_13C_noesy_800_MeOH.3584 
!no swap
!no swap
assign (resid 59 and name HN) (resid 62 and name HN) 4.210 2.41 0.0 ! theta_15Nnoesy_MeOH.551 
!no swap
!no swap
assign (resid 62 and name HA) (resid 62 and name HB#) 2.904 1.104 0.0 ! theta_13C_noesy_800_MeOH.523 
!no swap
!no swap
assign (resid 62 and name HB#) (resid 62 and name HN) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.12008 
!no swap
!no swap
assign (resid 63 and name HB#) (resid 27 and name HD1) 3.729 1.929 0.0 ! theta_13C_noesy_800_MeOH.2820 
!swapped hb1 for HB#) ; ser
!no swap
assign (resid 63 and name HB#) (resid 30 and name HD#) 4.403 2.603 0.0 ! theta_13C_noesy_800_MeOH.2807 
!swapped hb1 for HB#) ; ser
!swapped hd1 for HD#) ; arg
assign (resid 63 and name HB#) (resid 30 and name HD#) 3.963 2.163 0.0 ! theta_13C_noesy_800_MeOH.2809 
!swapped hb1 for HB#) ; ser
!swapped hd2 for HD#) ; arg
assign (resid 63 and name HA) (resid 31 and name HE1) 4.653 2.853 0.0 ! theta_13C_noesy_800_MeOH.3421 
!no swap
!no swap
assign (resid 31 and name HE1) (resid 63 and name HB#) 3.507 1.707 0.0 ! theta_13C_noesy_800_MeOH.1824 
!no swap
!swapped hb1 for HB#) ; ser
assign (resid 60 and name HN) (resid 63 and name HN) 4.414 2.614 0.0 ! theta_15Nnoesy_MeOH.201 
!no swap
!no swap
assign (resid 63 and name HN) (resid 62 and name HB#) 3.975 2.175 0.0 ! theta_15Nnoesy_MeOH.902 
!no swap
!no swap
assign (resid 63 and name HA) (resid 63 and name HB#) 2.504 0.704 0.0 ! theta_13C_noesy_800_MeOH.3422 
!no swap
!swapped hb1 for HB#) ; ser
assign (resid 63 and name HN) (resid 63 and name HA) 3.479 1.679 0.0 ! theta_15Nnoesy_MeOH.897 
!no swap
!no swap
assign (resid 63 and name HN) (resid 63 and name HB#) 3.238 1.438 0.0 ! theta_15Nnoesy_MeOH.900 
!no swap
!swapped hb1 for HB#) ; ser
assign (resid 64 and name HN) (resid 63 and name HA) 3.938 2.138 0.0 ! theta_15Nnoesy_MeOH.441 
!no swap
!no swap
assign (resid 64 and name HN) (resid 63 and name HN) 3.708 1.908 0.0 ! theta_15Nnoesy_MeOH.403 
!no swap
!no swap
assign (resid 64 and name HA) (resid 64 and name HB) 2.843 1.043 0.0 ! theta_13C_noesy_800_MeOH.2788 
!no swap
!no swap
assign (resid 64 and name HA) (resid 64 and name HG*) 3.123 1.323 0.0 ! theta_13C_noesy_800_MeOH.2790 
!no swap
!swapped hg1# for HG*) ; val
assign (resid 64 and name HN) (resid 64 and name HA) 3.174 1.374 0.0 ! theta_15Nnoesy_MeOH.458 
!no swap
!no swap
assign (resid 64 and name HN) (resid 64 and name HB) 3.276 1.476 0.0 ! theta_15Nnoesy_MeOH.505 
!no swap
!no swap
assign (resid 64 and name HN) (resid 64 and name HG*) 3.315 1.515 0.0 ! theta_15Nnoesy_MeOH.530 
!no swap
!swapped hg1# for HG*) ; val
assign (resid 62 and name HA) (resid 65 and name HB#) 4.130 2.33 0.0 ! theta_13C_noesy_800_MeOH.521 
!no swap
!swapped hb1 for HB#) ; asn
assign (resid 62 and name HA) (resid 65 and name HB#) 3.956 2.156 0.0 ! theta_13C_noesy_800_MeOH.515 
!no swap
!swapped hb2 for HB#) ; asn
assign (resid 65 and name HB#) (resid 64 and name HG*) 4.041 2.241 0.0 ! theta_13C_noesy_800_MeOH.2934 
!swapped hb1 for HB#) ; asn
!swapped hg2# for HG*) ; val
assign (resid 65 and name HN) (resid 64 and name HN) 4.186 2.386 0.0 ! theta_15Nnoesy_MeOH.568 
!no swap
!no swap
assign (resid 65 and name HN) (resid 65 and name HB#) 3.788 1.988 0.0 ! theta_15Nnoesy_MeOH.653 
!no swap
!swapped hb1 for HB#) ; asn
assign (resid 65 and name HB#) (resid 65 and name HN) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.15260 
!swapped hb2 for HB#) ; asn
!no swap
assign (resid 63 and name HA) (resid 66 and name HB#) 3.754 1.954 0.0 ! theta_13C_noesy_800_MeOH.3419 
!no swap
!swapped hb1 for HB#) ; leu
assign (resid 66 and name HN) (resid 66 and name HA) 3.209 1.409 0.0 ! theta_15Nnoesy_MeOH.432 
!no swap
!no swap
assign (resid 66 and name HN) (resid 66 and name HB#) 2.945 1.145 0.0 ! theta_15Nnoesy_MeOH.495 
!no swap
!swapped hb1 for HB#) ; leu
assign (resid 66 and name HN) (resid 66 and name HD*) 4.007 2.207 0.0 ! theta_15Nnoesy_MeOH.521 
!no swap
!swapped hd1# for HD*) ; leu
assign (resid 67 and name HA) (resid 31 and name HE1) 4.429 2.629 0.0 ! theta_13C_noesy_800_MeOH.3800 
!no swap
!no swap
assign (resid 67 and name HA) (resid 66 and name HB#) 3.714 1.914 0.0 ! theta_13C_noesy_800_MeOH.3802 
!no swap
!swapped hb1 for HB#) ; leu
assign (resid 66 and name HB#) (resid 67 and name HB#) 4.149 2.349 0.0 ! theta_13C_noesy_800_MeOH.2338 
!swapped hb1 for HB#) ; leu
!swapped hb1 for HB#) ; ser
assign (resid 66 and name HD*) (resid 67 and name HB#) 2.797 0.997 0.0 ! theta_13C_noesy_800_MeOH.1452 
!swapped hd1# for HD*) ; leu
!swapped hb1 for HB#) ; ser
assign (resid 67 and name HN) (resid 66 and name HA) 3.479 1.679 0.0 ! theta_15Nnoesy_MeOH.833 
!no swap
!no swap
assign (resid 67 and name HN) (resid 66 and name HD*) 4.823 3.023 0.0 ! theta_15Nnoesy_MeOH.887 
!no swap
!swapped hd1# for HD*) ; leu
assign (resid 67 and name HN) (resid 66 and name HG) 4.049 2.249 0.0 ! theta_15Nnoesy_MeOH.874 
!no swap
!no swap
assign (resid 67 and name HB#) (resid 67 and name HA) 2.262 0.462 0.0 ! theta_13C_noesy_800_MeOH.2794 
!swapped hb1 for HB#) ; ser
!no swap
assign (resid 67 and name HN) (resid 67 and name HB#) 3.570 1.77 0.0 ! theta_15Nnoesy_MeOH.850 
!no swap
!swapped hb1 for HB#) ; ser
assign (resid 68 and name HB#) (resid 68 and name HD#) 2.732 0.932 0.0 ! theta_13C_noesy_800_MeOH.416 
!swapped hb1 for HB#) ; arg
!swapped hd1 for HD#) ; arg
assign (resid 31 and name HE1) (resid 71 and name HD1) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.8561 
!no swap
!no swap
assign (resid 64 and name HG*) (resid 71 and name HD1) 4.922 3.122 0.0 ! theta_13C_noesy_800_MeOH.1930 
!swapped hg1# for HG*) ; val
!no swap
assign (resid 64 and name HG*) (resid 71 and name HE1) 5.017 3.217 0.0 ! theta_13C_noesy_800_MeOH.1924 
!swapped hg1# for HG*) ; val
!no swap
assign (resid 71 and name HD1) (resid 70 and name HA) 3.272 1.472 0.0 ! theta_13C_noesy_800_MeOH.3172 
!no swap
!no swap
assign (resid 71 and name HD1) (resid 70 and name HB#) 3.518 1.718 0.0 ! theta_13C_noesy_800_MeOH.3176 
!no swap
!swapped hb1 for HB#) ; pro
assign (resid 71 and name HD1) (resid 70 and name HD#) 3.766 1.966 0.0 ! theta_13C_noesy_800_MeOH.3174 
!no swap
!swapped hd1 for HD#) ; pro
assign (resid 71 and name HD1) (resid 70 and name HD#) 4.536 2.736 0.0 ! theta_13C_noesy_800_MeOH.3164 
!no swap
!swapped hd2 for HD#) ; pro
assign (resid 71 and name HD1) (resid 70 and name HG#) 3.251 1.451 0.0 ! theta_13C_noesy_800_MeOH.3177 
!no swap
!swapped hg1 for HG#) ; pro
assign (resid 71 and name HN) (resid 70 and name HA) 2.734 0.934 0.0 ! theta_15Nnoesy_MeOH.617 
!no swap
!no swap
assign (resid 71 and name HN) (resid 70 and name HD#) 4.204 2.404 0.0 ! theta_15Nnoesy_MeOH.642 
!no swap
!swapped hd1 for HD#) ; pro
assign (resid 71 and name HA) (resid 71 and name HB#) 2.200 0.4 0.0 ! theta_13C_noesy_800_MeOH.4371 
!no swap
!swapped hb1 for HB#) ; tyr
assign (resid 71 and name HD1) (resid 71 and name HA) 2.399 0.599 0.0 ! theta_13C_noesy_800_MeOH.3171 
!no swap
!no swap
assign (resid 71 and name HA) (resid 71 and name HE1) 3.715 1.915 0.0 ! theta_13C_noesy_800_MeOH.4367 
!no swap
!no swap
assign (resid 71 and name HN) (resid 71 and name HA) 3.131 1.331 0.0 ! theta_15Nnoesy_MeOH.616 
!no swap
!no swap
assign (resid 71 and name HN) (resid 71 and name HB#) 2.919 1.119 0.0 ! theta_15Nnoesy_MeOH.658 
!no swap
!swapped hb1 for HB#) ; tyr
assign (resid 71 and name HN) (resid 71 and name HD1) 4.389 2.589 0.0 ! theta_15Nnoesy_MeOH.587 
!no swap
!no swap
assign (resid 71 and name HA) (resid 72 and name HN) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.20200 
!no swap
!no swap
assign (resid 72 and name HN) (resid 71 and name HB#) 3.240 1.44 0.0 ! theta_15Nnoesy_MeOH.170 
!no swap
!swapped hb1 for HB#) ; tyr
assign (resid 72 and name HN) (resid 71 and name HD1) 4.213 2.413 0.0 ! theta_15Nnoesy_MeOH.137 
!no swap
!no swap
assign (resid 72 and name HN) (resid 71 and name HN) 3.558 1.758 0.0 ! theta_15Nnoesy_MeOH.124 
!no swap
!no swap
assign (resid 72 and name HN) (resid 72 and name HA) 2.438 0.638 0.0 ! theta_15Nnoesy_MeOH.153 
!no swap
!no swap
assign (resid 72 and name HN) (resid 72 and name HB#) 3.003 1.203 0.0 ! theta_15Nnoesy_MeOH.180 
!no swap
!swapped hb2 for HB#) ; glu
assign (resid 72 and name HN) (resid 72 and name HG#) 3.391 1.591 0.0 ! theta_15Nnoesy_MeOH.179 
!no swap
!swapped hg1 for HG#) ; glu
assign (resid 72 and name HN) (resid 73 and name HA) 3.889 2.089 0.0 ! theta_15Nnoesy_MeOH.154 
!no swap
!no swap
assign (resid 72 and name HN) (resid 73 and name HD#) 4.137 2.337 0.0 ! theta_15Nnoesy_MeOH.163 
!no swap
!swapped hd2 for HD#) ; pro
assign (resid 73 and name HA) (resid 74 and name HN) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.15087 
!no swap
!no swap
assign (resid 74 and name HN) (resid 73 and name HD#) 4.570 2.77 0.0 ! theta_15Nnoesy_MeOH.445 
!no swap
!swapped hd1 for HD#) ; pro
assign (resid 74 and name HN) (resid 74 and name HB#) 3.106 1.306 0.0 ! theta_15Nnoesy_MeOH.485 
!no swap
!swapped hb1 for HB#) ; lys
assign (resid 74 and name HN) (resid 74 and name HB#) 3.045 1.245 0.0 ! theta_15Nnoesy_MeOH.486 
!no swap
!swapped hb2 for HB#) ; lys
assign (resid 74 and name HN) (resid 74 and name HD#) 3.419 1.619 0.0 ! theta_15Nnoesy_MeOH.487 
!no swap
!swapped hd2 for HD#) ; lys
assign (resid 74 and name HN) (resid 75 and name HA) 2.286 0.486 2.8 ! theta_15Nnoesy_MeOH.418 
!no swap
!no swap
assign (resid 74 and name HA) (resid 75 and name HN) 6.000 4.2 0.0 ! theta_13C_noesy_MeOH.21263 
!no swap
!no swap
assign (resid 75 and name HN) (resid 75 and name HA) 2.390 0.59 0.0 ! theta_15Nnoesy_MeOH.149 
!no swap
!no swap
assign (resid 75 and name HN) (resid 75 and name HD*) 4.497 2.697 0.0 ! theta_15Nnoesy_MeOH.183 
!no swap
!swapped hd1# for HD*) ; leu
assign (resid 76 and name HN) (resid 75 and name HA) 2.428 0.628 0.0 ! theta_15Nnoesy_MeOH.103 
!no swap
!no swap
assign (resid 76 and name HN) (resid 75 and name HB#) 2.960 1.16 0.0 ! theta_15Nnoesy_MeOH.110 
!no swap
!swapped hb1 for HB#) ; leu
assign (resid 76 and name HN) (resid 75 and name HD*) 4.949 3.149 0.0 ! theta_15Nnoesy_MeOH.113 
!no swap
!swapped hd1# for HD*) ; leu
assign (resid 75 and name HN) (resid 76 and name HN) 3.357 1.557 1.7 ! theta_15Nnoesy_MeOH.120 
!no swap
!no swap
assign (resid 76 and name HN) (resid 76 and name HA) 2.955 1.155 0.0 ! theta_15Nnoesy_MeOH.104 
!no swap
!no swap
assign (resid 76 and name HN) (resid 76 and name HG#) 3.476 1.676 0.0 ! theta_15Nnoesy_MeOH.111 
!no swap
!swapped hg1 for HG#) ; lys

 do (store1 =    58.241) (resid 4 and name CA)
 do (store1 =     4.001) (resid 4 and name HA)
 do (store1 =    33.620) (resid 4 and name CB)
 do (store1 =     2.436) (resid 4 and name HB1)
 do (store1 =   113.939) (resid 4 and name ND2)
 do (store1 =     7.950) (resid 4 and name HD21)
 do (store1 =     6.792) (resid 4 and name HD22)
 do (store1 =    53.942) (resid 9 and name CA)
 do (store1 =     4.577) (resid 9 and name HA)
 do (store1 =    41.668) (resid 9 and name CB)
 do (store1 =     2.730) (resid 9 and name HB1)
 do (store1 =   176.653) (resid 9 and name C)
 do (store1 =   122.218) (resid 10 and name N)
 do (store1 =     8.636) (resid 10 and name HN)
 do (store1 =    58.160) (resid 10 and name CA)
 do (store1 =     4.003) (resid 10 and name HA)
 do (store1 =    41.780) (resid 10 and name CB)
 do (store1 =     2.181) (resid 10 and name HB2)
 do (store1 =    33.350) (resid 10 and name CG)
 do (store1 =     2.450) (resid 10 and name HG2)
 do (store1 =     2.411) (resid 10 and name HG1)
 do (store1 =   176.938) (resid 10 and name C)
 do (store1 =   114.010) (resid 11 and name N)
 do (store1 =     8.178) (resid 11 and name HN)
 do (store1 =    65.850) (resid 11 and name CA)
 do (store1 =     4.127) (resid 11 and name HA)
 do (store1 =    68.501) (resid 11 and name CB)
 do (store1 =     4.276) (resid 11 and name HB)
 do (store1 =    21.827) (resid 11 and name CG2)
 do (store1 =     1.237) (resid 11 and name HG21)
 do (store1 =   176.528) (resid 11 and name C)
 do (store1 =   121.056) (resid 12 and name N)
 do (store1 =     8.020) (resid 12 and name HN)
 do (store1 =    58.730) (resid 12 and name CA)
 do (store1 =     4.064) (resid 12 and name HA)
 do (store1 =    29.470) (resid 12 and name CB)
 do (store1 =     2.065) (resid 12 and name HB1)
 do (store1 =    35.957) (resid 12 and name CG)
 do (store1 =     2.309) (resid 12 and name HG1)
 do (store1 =   178.656) (resid 12 and name C)
 do (store1 =   119.193) (resid 13 and name N)
 do (store1 =     8.125) (resid 13 and name HN)
 do (store1 =    58.116) (resid 13 and name CA)
 do (store1 =     4.222) (resid 13 and name HA)
 do (store1 =    31.970) (resid 13 and name CB)
 do (store1 =     2.614) (resid 13 and name HB2)
 do (store1 =     2.150) (resid 13 and name HB1)
 do (store1 =    31.970) (resid 13 and name CG)
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 do (store1 =     0.547) (resid 57 and name HD11)
 do (store1 =    16.961) (resid 57 and name CG2)
 do (store1 =     0.857) (resid 57 and name HG21)
 do (store1 =   177.491) (resid 57 and name C)
 do (store1 =   120.925) (resid 58 and name N)
 do (store1 =     7.306) (resid 58 and name HN)
 do (store1 =    55.415) (resid 58 and name CA)
 do (store1 =     3.893) (resid 58 and name HA)
 do (store1 =    17.528) (resid 58 and name CB)
 do (store1 =     1.158) (resid 58 and name HB1)
 do (store1 =   180.810) (resid 58 and name C)
 do (store1 =   117.529) (resid 59 and name N)
 do (store1 =     8.828) (resid 59 and name HN)
 do (store1 =    60.130) (resid 59 and name CA)
 do (store1 =     4.378) (resid 59 and name HA)
 do (store1 =    31.478) (resid 59 and name CB)
 do (store1 =     2.873) (resid 59 and name HB2)
 do (store1 =     2.764) (resid 59 and name HB1)
 do (store1 =   119.274) (resid 59 and name CD2)
 do (store1 =     6.515) (resid 59 and name HD2)
 do (store1 =   179.366) (resid 59 and name C)
 do (store1 =   122.143) (resid 60 and name N)
 do (store1 =     8.868) (resid 60 and name HN)
 do (store1 =    60.280) (resid 60 and name CA)
 do (store1 =     4.091) (resid 60 and name HA)
 do (store1 =    31.030) (resid 60 and name CB)
 do (store1 =   119.360) (resid 61 and name N)
 do (store1 =     8.130) (resid 61 and name HN)
 do (store1 =    57.380) (resid 61 and name CA)
 do (store1 =     4.064) (resid 61 and name HA)
 do (store1 =    41.620) (resid 61 and name CB)
 do (store1 =     1.820) (resid 61 and name HB1)
 do (store1 =    25.055) (resid 61 and name CG)
 do (store1 =     1.514) (resid 61 and name HG)
 do (store1 =    22.687) (resid 61 and name CD1)
 do (store1 =     0.820) (resid 61 and name HD11)
 do (store1 =   120.457) (resid 62 and name N)
 do (store1 =     7.881) (resid 62 and name HN)
 do (store1 =    54.238) (resid 62 and name CA)
 do (store1 =     4.187) (resid 62 and name HA)
 do (store1 =    18.349) (resid 62 and name CB)
 do (store1 =     1.541) (resid 62 and name HB1)
 do (store1 =   179.186) (resid 62 and name C)
 do (store1 =   112.387) (resid 63 and name N)
 do (store1 =     7.913) (resid 63 and name HN)
 do (store1 =    60.537) (resid 63 and name CA)
 do (store1 =     4.251) (resid 63 and name HA)
 do (store1 =    63.390) (resid 63 and name CB)
 do (store1 =     3.970) (resid 63 and name HB1)
 do (store1 =   175.319) (resid 63 and name C)
 do (store1 =   119.287) (resid 64 and name N)
 do (store1 =     7.537) (resid 64 and name HN)
 do (store1 =    63.920) (resid 64 and name CA)
 do (store1 =     3.911) (resid 64 and name HA)
 do (store1 =    31.913) (resid 64 and name CB)
 do (store1 =     2.198) (resid 64 and name HB)
 do (store1 =    20.922) (resid 64 and name CG2)
 do (store1 =     0.936) (resid 64 and name HG21)
 do (store1 =    20.772) (resid 64 and name CG1)
 do (store1 =     1.013) (resid 64 and name HG11)
 do (store1 =   176.303) (resid 64 and name C)
 do (store1 =   118.414) (resid 65 and name N)
 do (store1 =     8.035) (resid 65 and name HN)
 do (store1 =    54.020) (resid 65 and name CA)
 do (store1 =     4.692) (resid 65 and name HA)
 do (store1 =    38.648) (resid 65 and name CB)
 do (store1 =     2.748) (resid 65 and name HB2)
 do (store1 =     2.867) (resid 65 and name HB1)
 do (store1 =   175.694) (resid 65 and name C)
 do (store1 =   120.670) (resid 66 and name N)
 do (store1 =     7.993) (resid 66 and name HN)
 do (store1 =    55.740) (resid 66 and name CA)
 do (store1 =     4.348) (resid 66 and name HA)
 do (store1 =    42.180) (resid 66 and name CB)
 do (store1 =     1.740) (resid 66 and name HB1)
 do (store1 =    26.953) (resid 66 and name CG)
 do (store1 =     1.680) (resid 66 and name HG)
 do (store1 =    25.000) (resid 66 and name CD1)
 do (store1 =     0.932) (resid 66 and name HD11)
 do (store1 =    22.978) (resid 66 and name CD2)
 do (store1 =     0.932) (resid 66 and name HD21)
 do (store1 =   177.357) (resid 66 and name C)
 do (store1 =   114.495) (resid 67 and name N)
 do (store1 =     8.090) (resid 67 and name HN)
 do (store1 =    59.067) (resid 67 and name CA)
 do (store1 =     4.371) (resid 67 and name HA)
 do (store1 =    63.799) (resid 67 and name CB)
 do (store1 =     3.918) (resid 67 and name HB1)
 do (store1 =   174.079) (resid 67 and name C)
 do (store1 =   120.690) (resid 68 and name N)
 do (store1 =     8.000) (resid 68 and name HN)
 do (store1 =    55.730) (resid 68 and name CA)
 do (store1 =     4.403) (resid 68 and name HA)
 do (store1 =    30.850) (resid 68 and name CB)
 do (store1 =     1.759) (resid 68 and name HB2)
 do (store1 =     1.936) (resid 68 and name HB1)
 do (store1 =    27.118) (resid 68 and name CG)
 do (store1 =     1.636) (resid 68 and name HG1)
 do (store1 =    43.366) (resid 68 and name CD)
 do (store1 =     3.174) (resid 68 and name HD1)
 do (store1 =   174.604) (resid 68 and name C)
 do (store1 =   121.116) (resid 69 and name N)
 do (store1 =     7.866) (resid 69 and name HN)
 do (store1 =    52.970) (resid 69 and name CA)
 do (store1 =     4.293) (resid 69 and name HA)
 do (store1 =    42.550) (resid 69 and name CB)
 do (store1 =     1.674) (resid 69 and name HB1)
 do (store1 =     0.911) (resid 69 and name HD11)
 do (store1 =     0.839) (resid 69 and name HD21)
 do (store1 =    64.430) (resid 70 and name CA)
 do (store1 =     4.343) (resid 70 and name HA)
 do (store1 =    31.510) (resid 70 and name CB)
 do (store1 =     2.156) (resid 70 and name HB1)
 do (store1 =    27.232) (resid 70 and name CG)
 do (store1 =     1.779) (resid 70 and name HG2)
 do (store1 =     1.951) (resid 70 and name HG1)
 do (store1 =    50.233) (resid 70 and name CD)
 do (store1 =     3.767) (resid 70 and name HD2)
 do (store1 =     3.554) (resid 70 and name HD1)
 do (store1 =   175.729) (resid 70 and name C)
 do (store1 =   117.600) (resid 71 and name N)
 do (store1 =     7.738) (resid 71 and name HN)
 do (store1 =    56.995) (resid 71 and name CA)
 do (store1 =     4.544) (resid 71 and name HA)
 do (store1 =    38.805) (resid 71 and name CB)
 do (store1 =     2.969) (resid 71 and name HB1)
 do (store1 =   133.052) (resid 71 and name CD1)
 do (store1 =     7.040) (resid 71 and name HD1)
 do (store1 =   137.420) (resid 71 and name CE1)
 do (store1 =     6.766) (resid 71 and name HE1)
 do (store1 =   174.548) (resid 71 and name C)
 do (store1 =   123.676) (resid 72 and name N)
 do (store1 =     7.969) (resid 72 and name HN)
 do (store1 =    53.630) (resid 72 and name CA)
 do (store1 =     4.550) (resid 72 and name HA)
 do (store1 =    30.480) (resid 72 and name CB)
 do (store1 =     1.864) (resid 72 and name HB2)
 do (store1 =     1.959) (resid 72 and name HB1)
 do (store1 =     2.180) (resid 72 and name HG1)
 do (store1 =    63.008) (resid 73 and name CA)
 do (store1 =     4.340) (resid 73 and name HA)
 do (store1 =    31.900) (resid 73 and name CB)
 do (store1 =     2.216) (resid 73 and name HB1)
 do (store1 =    27.264) (resid 73 and name CG)
 do (store1 =     1.963) (resid 73 and name HG2)
 do (store1 =     1.944) (resid 73 and name HG1)
 do (store1 =    50.375) (resid 73 and name CD)
 do (store1 =     3.596) (resid 73 and name HD2)
 do (store1 =     3.644) (resid 73 and name HD1)
 do (store1 =   176.111) (resid 73 and name C)
 do (store1 =   120.626) (resid 74 and name N)
 do (store1 =     8.335) (resid 74 and name HN)
 do (store1 =    55.820) (resid 74 and name CA)
 do (store1 =     4.335) (resid 74 and name HA)
 do (store1 =    45.739) (resid 74 and name CB)
 do (store1 =     1.728) (resid 74 and name HB2)
 do (store1 =     1.835) (resid 74 and name HB1)
 do (store1 =    24.652) (resid 74 and name CG)
 do (store1 =     0.861) (resid 74 and name HG2)
 do (store1 =     0.910) (resid 74 and name HG1)
 do (store1 =    32.584) (resid 74 and name CD)
 do (store1 =     1.429) (resid 74 and name HD2)
 do (store1 =     1.671) (resid 74 and name HD1)
 do (store1 =    42.096) (resid 74 and name CE)
 do (store1 =     2.975) (resid 74 and name HE1)
 do (store1 =   175.946) (resid 74 and name C)
 do (store1 =   123.085) (resid 75 and name N)
 do (store1 =     8.246) (resid 75 and name HN)
 do (store1 =    55.188) (resid 75 and name CA)
 do (store1 =     4.342) (resid 75 and name HA)
 do (store1 =    42.578) (resid 75 and name CB)
 do (store1 =     1.614) (resid 75 and name HB1)
 do (store1 =    27.020) (resid 75 and name CG)
 do (store1 =    23.321) (resid 75 and name CD1)
 do (store1 =     0.902) (resid 75 and name HD11)
 do (store1 =    24.884) (resid 75 and name CD2)
 do (store1 =     0.902) (resid 75 and name HD21)
 do (store1 =   175.692) (resid 75 and name C)
 do (store1 =   124.764) (resid 76 and name N)
 do (store1 =     7.649) (resid 76 and name HN)
 do (store1 =    57.290) (resid 76 and name CA)
 do (store1 =     4.133) (resid 76 and name HA)
 do (store1 =    34.110) (resid 76 and name CB)
 do (store1 =     1.805) (resid 76 and name HB1)
 do (store1 =     1.366) (resid 76 and name HG1)
 do (store1 =     1.701) (resid 76 and name HD1)
 do (store1 =     2.969) (resid 76 and name HE1)


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1           HT1      MET   1  32.141  10.832   8.891
    2   2H    MET   1           HT2      MET   1  33.669  10.378   8.320
    3   3H    MET   1           HT3      MET   1  33.279  10.161   9.956
    4    HA   MET   1           HA       MET   1  32.060   8.757   7.651
    5   1HB   MET   1          HB2       MET   1  34.313   7.967   8.194
    6   2HB   MET   1          HB1       MET   1  33.858   7.783   9.883
    7   1HG   MET   1          HG2       MET   1  32.188   6.091   9.203
    8   2HG   MET   1          HG1       MET   1  32.770   6.230   7.547
    9   1HE   MET   1          HE1       MET   1  32.588   3.480   9.157
   10   2HE   MET   1          HE2       MET   1  34.120   2.730   8.708
   11   3HE   MET   1          HE3       MET   1  33.173   3.590   7.494
   12    H    LEU   2           HN       LEU   2  29.945   8.687   8.057
   13    HA   LEU   2           HA       LEU   2  29.086   7.801  10.740
   14   1HB   LEU   2          HB2       LEU   2  27.687   9.769   8.922
   15   2HB   LEU   2          HB1       LEU   2  27.025   9.139  10.418
   16    HG   LEU   2           HG       LEU   2  29.514  10.838  10.205
   17   1HD1  LEU   2          HD11      LEU   2  27.515  12.109   9.653
   18   2HD1  LEU   2          HD12      LEU   2  28.148  12.592  11.226
   19   3HD1  LEU   2          HD13      LEU   2  26.732  11.546  11.130
   20   1HD2  LEU   2          HD21      LEU   2  29.549   9.296  12.106
   21   2HD2  LEU   2          HD22      LEU   2  27.974   9.900  12.624
   22   3HD2  LEU   2          HD23      LEU   2  29.376  10.971  12.629
   23    H    LYS   3           HN       LYS   3  27.785   8.256   7.460
   24    HA   LYS   3           HA       LYS   3  27.016   5.462   7.284
   25   1HB   LYS   3          HB2       LYS   3  25.161   6.516   8.531
   26   2HB   LYS   3          HB1       LYS   3  24.974   7.703   7.253
   27   1HG   LYS   3          HG2       LYS   3  23.250   6.066   7.048
   28   2HG   LYS   3          HG1       LYS   3  24.374   5.873   5.702
   29   1HD   LYS   3          HD2       LYS   3  25.121   3.848   6.440
   30   2HD   LYS   3          HD1       LYS   3  24.868   4.250   8.139
   31   1HE   LYS   3          HE2       LYS   3  23.324   2.494   7.286
   32   2HE   LYS   3          HE1       LYS   3  22.502   3.912   7.933
   33   1HZ   LYS   3          HZ1       LYS   3  22.288   4.716   5.605
   34   2HZ   LYS   3          HZ2       LYS   3  21.433   3.291   5.919
   35   3HZ   LYS   3          HZ3       LYS   3  22.895   3.228   5.070
   36    H    ASN   4           HN       ASN   4  28.260   5.270   5.428
   37    HA   ASN   4           HA       ASN   4  28.086   7.253   3.324
   38   1HB   ASN   4          HB2       ASN   4  29.482   4.565   3.353
   39   2HB   ASN   4          HB1       ASN   4  29.650   5.788   2.102
   40   1HD2  ASN   4          HD21      ASN   4  30.547   4.788   5.273
   41   2HD2  ASN   4          HD22      ASN   4  31.754   6.002   5.536
   42    H    LEU   5           HN       LEU   5  25.777   7.016   3.049
   43    HA   LEU   5           HA       LEU   5  23.902   6.315   2.010
   44   1HB   LEU   5          HB2       LEU   5  25.348   6.278   0.006
   45   2HB   LEU   5          HB1       LEU   5  25.756   4.607   0.347
   46    HG   LEU   5           HG       LEU   5  23.406   3.962   0.011
   47   1HD1  LEU   5          HD11      LEU   5  22.333   6.037   0.692
   48   2HD1  LEU   5          HD12      LEU   5  21.826   5.580  -0.936
   49   3HD1  LEU   5          HD13      LEU   5  23.013   6.866  -0.709
   50   1HD2  LEU   5          HD21      LEU   5  24.563   5.564  -2.265
   51   2HD2  LEU   5          HD22      LEU   5  23.350   4.290  -2.401
   52   3HD2  LEU   5          HD23      LEU   5  24.982   3.902  -1.857
   53    H    ALA   6           HN       ALA   6  25.748   3.292   1.753
   54    HA   ALA   6           HA       ALA   6  25.181   1.150   2.313
   55   1HB   ALA   6          HB1       ALA   6  24.715   2.517   4.960
   56   2HB   ALA   6          HB2       ALA   6  26.271   1.977   4.329
   57   3HB   ALA   6          HB3       ALA   6  25.021   0.796   4.721
   58    H    LYS   7           HN       LYS   7  23.259   1.399   0.884
   59    HA   LYS   7           HA       LYS   7  20.852   0.707   2.403
   60   1HB   LYS   7          HB2       LYS   7  21.189   3.219   1.253
   61   2HB   LYS   7          HB1       LYS   7  20.249   2.339   0.057
   62   1HG   LYS   7          HG2       LYS   7  19.348   2.124   2.860
   63   2HG   LYS   7          HG1       LYS   7  19.157   3.694   2.085
   64   1HD   LYS   7          HD2       LYS   7  18.158   1.105   0.906
   65   2HD   LYS   7          HD1       LYS   7  17.171   2.183   1.895
   66   1HE   LYS   7          HE2       LYS   7  17.693   4.008   0.262
   67   2HE   LYS   7          HE1       LYS   7  18.456   2.793  -0.760
   68   1HZ   LYS   7          HZ1       LYS   7  15.606   2.822   0.087
   69   2HZ   LYS   7          HZ2       LYS   7  16.327   1.614  -0.844
   70   3HZ   LYS   7          HZ3       LYS   7  16.194   3.190  -1.463
   71    H    LEU   8           HN       LEU   8  22.767  -0.847   1.033
   72    HA   LEU   8           HA       LEU   8  22.095  -1.462  -1.628
   73   1HB   LEU   8          HB2       LEU   8  23.365  -3.264   0.435
   74   2HB   LEU   8          HB1       LEU   8  23.390  -3.515  -1.296
   75    HG   LEU   8           HG       LEU   8  24.629  -1.212  -1.347
   76   1HD1  LEU   8          HD11      LEU   8  26.010  -0.816   0.632
   77   2HD1  LEU   8          HD12      LEU   8  25.165  -2.109   1.484
   78   3HD1  LEU   8          HD13      LEU   8  24.291  -0.653   1.004
   79   1HD2  LEU   8          HD21      LEU   8  25.595  -3.346  -2.023
   80   2HD2  LEU   8          HD22      LEU   8  25.950  -3.729  -0.338
   81   3HD2  LEU   8          HD23      LEU   8  26.765  -2.377  -1.126
   82    H    ASP   9           HN       ASP   9  21.594  -3.539   1.211
   83    HA   ASP   9           HA       ASP   9  19.194  -4.615  -0.103
   84   1HB   ASP   9          HB2       ASP   9  21.136  -5.929   1.786
   85   2HB   ASP   9          HB1       ASP   9  19.580  -6.629   1.355
   86    H    GLN  10           HN       GLN  10  19.409  -2.260   1.488
   87    HA   GLN  10           HA       GLN  10  17.792  -3.001   3.757
   88   1HB   GLN  10          HB2       GLN  10  18.730  -0.293   2.797
   89   2HB   GLN  10          HB1       GLN  10  17.741  -0.536   4.230
   90   1HG   GLN  10          HG2       GLN  10  20.521  -1.592   3.782
   91   2HG   GLN  10          HG1       GLN  10  20.064  -0.251   4.833
   92   1HE2  GLN  10          HE21      GLN  10  20.126  -3.688   4.431
   93   2HE2  GLN  10          HE22      GLN  10  19.659  -4.095   6.044
   94    H    THR  11           HN       THR  11  17.133  -3.195   0.810
   95    HA   THR  11           HA       THR  11  14.884  -1.435   0.482
   96    HB   THR  11           HB       THR  11  15.968  -3.722  -1.187
   97    HG1  THR  11           HG1      THR  11  16.159  -0.899  -1.197
   98   1HG2  THR  11          HG21      THR  11  14.495  -2.921  -2.990
   99   2HG2  THR  11          HG22      THR  11  13.752  -1.779  -1.869
  100   3HG2  THR  11          HG23      THR  11  13.562  -3.514  -1.614
  101    H    GLU  12           HN       GLU  12  15.313  -4.679   1.838
  102    HA   GLU  12           HA       GLU  12  12.657  -5.305   1.971
  103   1HB   GLU  12          HB2       GLU  12  14.752  -5.582   4.107
  104   2HB   GLU  12          HB1       GLU  12  13.223  -6.454   4.079
  105   1HG   GLU  12          HG2       GLU  12  15.554  -6.726   2.205
  106   2HG   GLU  12          HG1       GLU  12  14.889  -7.939   3.298
  107    H    MET  13           HN       MET  13  14.380  -2.805   3.462
  108    HA   MET  13           HA       MET  13  12.354  -2.187   5.421
  109   1HB   MET  13          HB2       MET  13  14.058  -1.122   6.429
  110   2HB   MET  13          HB1       MET  13  15.103  -1.542   5.082
  111   1HG   MET  13          HG2       MET  13  14.442   0.492   3.924
  112   2HG   MET  13          HG1       MET  13  13.407   0.934   5.283
  113   1HE   MET  13          HE1       MET  13  15.698   2.816   4.030
  114   2HE   MET  13          HE2       MET  13  16.393   3.488   5.505
  115   3HE   MET  13          HE3       MET  13  14.645   3.301   5.359
  116    H    ASP  14           HN       ASP  14  13.727  -0.901   2.421
  117    HA   ASP  14           HA       ASP  14  11.997   1.026   1.835
  118   1HB   ASP  14          HB2       ASP  14  13.112  -1.041  -0.027
  119   2HB   ASP  14          HB1       ASP  14  12.218   0.364  -0.587
  120    H    LYS  15           HN       LYS  15  11.427  -2.364   0.997
  121    HA   LYS  15           HA       LYS  15   8.858  -2.304   0.049
  122   1HB   LYS  15          HB2       LYS  15  10.193  -4.414   1.752
  123   2HB   LYS  15          HB1       LYS  15   8.657  -4.642   0.932
  124   1HG   LYS  15          HG2       LYS  15   9.786  -4.259  -1.227
  125   2HG   LYS  15          HG1       LYS  15  11.325  -4.132  -0.368
  126   1HD   LYS  15          HD2       LYS  15  11.021  -6.404   0.499
  127   2HD   LYS  15          HD1       LYS  15   9.489  -6.527  -0.366
  128   1HE   LYS  15          HE2       LYS  15  11.211  -7.654  -1.621
  129   2HE   LYS  15          HE1       LYS  15  10.700  -6.207  -2.491
  130   1HZ   LYS  15          HZ1       LYS  15  12.649  -5.062  -1.735
  131   2HZ   LYS  15          HZ2       LYS  15  13.126  -6.520  -2.450
  132   3HZ   LYS  15          HZ3       LYS  15  13.109  -6.373  -0.763
  133    H    VAL  16           HN       VAL  16   9.731  -2.873   3.541
  134    HA   VAL  16           HA       VAL  16   7.063  -3.089   4.322
  135    HB   VAL  16           HB       VAL  16   7.946  -2.580   6.599
  136   1HG1  VAL  16          HG11      VAL  16   9.142  -4.700   6.807
  137   2HG1  VAL  16          HG12      VAL  16   9.313  -4.751   5.053
  138   3HG1  VAL  16          HG13      VAL  16   7.712  -4.853   5.787
  139   1HG2  VAL  16          HG21      VAL  16  10.368  -2.606   6.934
  140   2HG2  VAL  16          HG22      VAL  16   9.818  -1.178   6.055
  141   3HG2  VAL  16          HG23      VAL  16  10.577  -2.513   5.187
  142    H    ASN  17           HN       ASN  17   9.221  -0.318   4.146
  143    HA   ASN  17           HA       ASN  17   7.523   1.589   5.284
  144   1HB   ASN  17          HB2       ASN  17   9.791   1.727   3.355
  145   2HB   ASN  17          HB1       ASN  17   8.763   3.144   3.521
  146   1HD2  ASN  17          HD21      ASN  17  11.035   1.049   5.115
  147   2HD2  ASN  17          HD22      ASN  17  11.354   2.089   6.470
  148    H    VAL  18           HN       VAL  18   7.913   0.815   1.769
  149    HA   VAL  18           HA       VAL  18   5.821   2.479   1.017
  150    HB   VAL  18           HB       VAL  18   6.991   0.201  -0.507
  151   1HG1  VAL  18          HG11      VAL  18   5.356   2.577  -1.414
  152   2HG1  VAL  18          HG12      VAL  18   4.801   0.904  -1.368
  153   3HG1  VAL  18          HG13      VAL  18   6.099   1.373  -2.466
  154   1HG2  VAL  18          HG21      VAL  18   8.636   1.860   0.197
  155   2HG2  VAL  18          HG22      VAL  18   7.621   3.156  -0.440
  156   3HG2  VAL  18          HG23      VAL  18   8.346   1.980  -1.539
  157    H    ASP  19           HN       ASP  19   5.888  -0.810   2.063
  158    HA   ASP  19           HA       ASP  19   3.309  -1.606   1.184
  159   1HB   ASP  19          HB2       ASP  19   4.866  -3.317   1.826
  160   2HB   ASP  19          HB1       ASP  19   5.097  -2.597   3.416
  161    H    LEU  20           HN       LEU  20   4.513  -0.456   4.324
  162    HA   LEU  20           HA       LEU  20   2.084  -0.395   5.685
  163   1HB   LEU  20          HB2       LEU  20   4.259  -0.145   6.775
  164   2HB   LEU  20          HB1       LEU  20   4.488   1.409   5.998
  165    HG   LEU  20           HG       LEU  20   2.545   2.295   7.256
  166   1HD1  LEU  20          HD11      LEU  20   1.358   0.180   7.591
  167   2HD1  LEU  20          HD12      LEU  20   1.635   1.022   9.118
  168   3HD1  LEU  20          HD13      LEU  20   2.638  -0.361   8.677
  169   1HD2  LEU  20          HD21      LEU  20   4.729   1.073   8.939
  170   2HD2  LEU  20          HD22      LEU  20   3.669   2.393   9.434
  171   3HD2  LEU  20          HD23      LEU  20   4.804   2.624   8.102
  172    H    ALA  21           HN       ALA  21   3.701   2.193   3.835
  173    HA   ALA  21           HA       ALA  21   1.747   4.150   4.174
  174   1HB   ALA  21          HB1       ALA  21   3.993   4.584   3.316
  175   2HB   ALA  21          HB2       ALA  21   2.751   5.239   2.250
  176   3HB   ALA  21          HB3       ALA  21   3.584   3.745   1.822
  177    H    ALA  22           HN       ALA  22   2.135   1.791   1.515
  178    HA   ALA  22           HA       ALA  22  -0.079   2.701   0.023
  179   1HB   ALA  22          HB1       ALA  22   1.720   1.327  -0.922
  180   2HB   ALA  22          HB2       ALA  22   0.126   0.641  -1.233
  181   3HB   ALA  22          HB3       ALA  22   1.153  -0.046   0.026
  182    H    ALA  23           HN       ALA  23   0.157   0.651   2.794
  183    HA   ALA  23           HA       ALA  23  -2.369  -0.674   2.452
  184   1HB   ALA  23          HB1       ALA  23  -0.686  -0.283   4.928
  185   2HB   ALA  23          HB2       ALA  23  -0.548  -1.643   3.811
  186   3HB   ALA  23          HB3       ALA  23  -2.026  -1.418   4.751
  187    H    GLY  24           HN       GLY  24  -1.015   1.997   4.226
  188   1HA   GLY  24          HA2       GLY  24  -3.326   2.624   5.710
  189   2HA   GLY  24          HA1       GLY  24  -1.906   3.633   5.480
  190    H    VAL  25           HN       VAL  25  -1.902   3.857   2.739
  191    HA   VAL  25           HA       VAL  25  -3.736   5.958   2.322
  192    HB   VAL  25           HB       VAL  25  -1.921   4.487   0.407
  193   1HG1  VAL  25          HG11      VAL  25  -2.289   6.296  -1.180
  194   2HG1  VAL  25          HG12      VAL  25  -3.471   7.026  -0.095
  195   3HG1  VAL  25          HG13      VAL  25  -3.803   5.459  -0.834
  196   1HG2  VAL  25          HG21      VAL  25  -0.688   5.696   2.040
  197   2HG2  VAL  25          HG22      VAL  25  -1.732   7.104   1.878
  198   3HG2  VAL  25          HG23      VAL  25  -0.647   6.662   0.558
  199    H    ALA  26           HN       ALA  26  -3.545   2.721   0.823
  200    HA   ALA  26           HA       ALA  26  -5.796   2.732  -0.705
  201   1HB   ALA  26          HB1       ALA  26  -4.265   0.831  -0.541
  202   2HB   ALA  26          HB2       ALA  26  -5.950   0.332  -0.396
  203   3HB   ALA  26          HB3       ALA  26  -4.934   0.434   1.041
  204    H    PHE  27           HN       PHE  27  -5.766   1.822   2.765
  205    HA   PHE  27           HA       PHE  27  -8.625   1.633   2.842
  206   1HB   PHE  27          HB2       PHE  27  -6.614   1.793   5.091
  207   2HB   PHE  27          HB1       PHE  27  -8.325   1.430   5.296
  208    HD1  PHE  27           HD1      PHE  27  -5.554  -0.166   5.759
  209    HD2  PHE  27           HD2      PHE  27  -8.773  -0.371   2.973
  210    HE1  PHE  27           HE1      PHE  27  -5.077  -2.549   5.383
  211    HE2  PHE  27           HE2      PHE  27  -8.301  -2.756   2.604
  212    HZ   PHE  27           HZ       PHE  27  -6.451  -3.848   3.811
  213    H    LYS  28           HN       LYS  28  -6.298   4.055   3.786
  214    HA   LYS  28           HA       LYS  28  -7.772   6.018   4.948
  215   1HB   LYS  28          HB2       LYS  28  -5.328   6.114   4.116
  216   2HB   LYS  28          HB1       LYS  28  -6.022   6.805   2.656
  217   1HG   LYS  28          HG2       LYS  28  -5.291   8.574   4.093
  218   2HG   LYS  28          HG1       LYS  28  -7.056   8.578   4.034
  219   1HD   LYS  28          HD2       LYS  28  -7.147   7.412   6.170
  220   2HD   LYS  28          HD1       LYS  28  -5.385   7.343   6.218
  221   1HE   LYS  28          HE2       LYS  28  -5.314   9.801   6.239
  222   2HE   LYS  28          HE1       LYS  28  -7.077   9.836   6.257
  223   1HZ   LYS  28          HZ1       LYS  28  -5.317   8.676   8.345
  224   2HZ   LYS  28          HZ2       LYS  28  -7.011   8.587   8.347
  225   3HZ   LYS  28          HZ3       LYS  28  -6.243  10.093   8.479
  226    H    GLU  29           HN       GLU  29  -7.407   5.906   1.391
  227    HA   GLU  29           HA       GLU  29  -9.452   7.822   1.048
  228   1HB   GLU  29          HB2       GLU  29  -9.377   7.110  -1.384
  229   2HB   GLU  29          HB1       GLU  29  -7.886   7.728  -0.696
  230   1HG   GLU  29          HG2       GLU  29  -6.993   5.500  -0.505
  231   2HG   GLU  29          HG1       GLU  29  -8.524   4.806  -1.038
  232    H    ARG  30           HN       ARG  30  -9.440   4.310   0.457
  233    HA   ARG  30           HA       ARG  30 -12.009   4.336  -0.722
  234   1HB   ARG  30          HB2       ARG  30 -10.447   2.029   0.446
  235   2HB   ARG  30          HB1       ARG  30 -11.835   1.886  -0.623
  236   1HG   ARG  30          HG2       ARG  30  -9.229   3.210  -1.342
  237   2HG   ARG  30          HG1       ARG  30  -9.701   1.570  -1.792
  238   1HD   ARG  30          HD2       ARG  30 -11.438   2.339  -3.177
  239   2HD   ARG  30          HD1       ARG  30 -11.376   3.962  -2.490
  240    HE   ARG  30           HE       ARG  30  -8.989   3.901  -3.557
  241   1HH1  ARG  30          HH11      ARG  30 -11.931   2.535  -4.906
  242   2HH1  ARG  30          HH12      ARG  30 -11.459   2.839  -6.550
  243   1HH2  ARG  30          HH21      ARG  30  -8.384   4.309  -5.710
  244   2HH2  ARG  30          HH22      ARG  30  -9.452   3.853  -7.006
  245    H    TYR  31           HN       TYR  31 -10.978   4.031   2.587
  246    HA   TYR  31           HA       TYR  31 -13.571   2.931   3.307
  247   1HB   TYR  31          HB2       TYR  31 -10.943   2.985   4.649
  248   2HB   TYR  31          HB1       TYR  31 -12.381   2.994   5.678
  249    HD1  TYR  31           HD1      TYR  31 -14.147   1.259   5.270
  250    HD2  TYR  31           HD2      TYR  31 -10.252   0.972   3.607
  251    HE1  TYR  31           HE1      TYR  31 -14.524  -1.112   4.833
  252    HE2  TYR  31           HE2      TYR  31 -10.610  -1.422   3.174
  253    HH   TYR  31           HH       TYR  31 -12.027  -3.267   3.986
  254    H    ASN  32           HN       ASN  32 -11.760   6.015   3.835
  255    HA   ASN  32           HA       ASN  32 -14.257   7.148   4.616
  256   1HB   ASN  32          HB2       ASN  32 -13.968   7.506   6.922
  257   2HB   ASN  32          HB1       ASN  32 -13.570   5.817   6.631
  258   1HD2  ASN  32          HD21      ASN  32 -10.913   6.331   5.580
  259   2HD2  ASN  32          HD22      ASN  32  -9.940   6.830   6.921
  260    H    MET  33           HN       MET  33 -11.473   7.811   3.103
  261    HA   MET  33           HA       MET  33 -11.727  10.637   3.561
  262   1HB   MET  33          HB2       MET  33 -10.609   9.926   5.680
  263   2HB   MET  33          HB1       MET  33  -9.246   9.362   4.729
  264   1HG   MET  33          HG2       MET  33 -10.173  12.198   4.539
  265   2HG   MET  33          HG1       MET  33  -9.130  11.673   5.857
  266   1HE   MET  33          HE1       MET  33  -6.722  13.662   3.465
  267   2HE   MET  33          HE2       MET  33  -7.369  13.543   5.100
  268   3HE   MET  33          HE3       MET  33  -8.423  14.009   3.767
  269    HA   PRO  34           HA       PRO  34  -9.931  10.147  -0.507
  270   1HB   PRO  34          HB2       PRO  34  -9.966  12.827  -1.103
  271   2HB   PRO  34          HB1       PRO  34 -11.355  11.748  -1.291
  272   1HG   PRO  34          HG2       PRO  34 -10.708  13.640   0.936
  273   2HG   PRO  34          HG1       PRO  34 -12.269  13.313   0.162
  274   1HD   PRO  34          HD2       PRO  34 -11.626  12.261   2.548
  275   2HD   PRO  34          HD1       PRO  34 -12.601  11.366   1.366
  276    H    VAL  35           HN       VAL  35  -7.953   9.542   0.704
  277    HA   VAL  35           HA       VAL  35  -5.958  11.538   1.198
  278    HB   VAL  35           HB       VAL  35  -6.101   9.280   2.370
  279   1HG1  VAL  35          HG11      VAL  35  -5.142   7.353   1.251
  280   2HG1  VAL  35          HG12      VAL  35  -4.975   8.282  -0.242
  281   3HG1  VAL  35          HG13      VAL  35  -6.579   7.932   0.405
  282   1HG2  VAL  35          HG21      VAL  35  -3.481   9.935   1.007
  283   2HG2  VAL  35          HG22      VAL  35  -3.678   8.944   2.452
  284   3HG2  VAL  35          HG23      VAL  35  -4.084  10.660   2.496
  285    H    ILE  36           HN       ILE  36  -3.917  11.702  -0.047
  286    HA   ILE  36           HA       ILE  36  -4.559  11.434  -2.885
  287    HB   ILE  36           HB       ILE  36  -2.432  13.134  -1.562
  288   1HG1  ILE  36          HG12      ILE  36  -3.927  14.990  -2.594
  289   2HG1  ILE  36          HG11      ILE  36  -5.170  13.745  -2.657
  290   1HG2  ILE  36          HG21      ILE  36  -3.202  12.846  -4.460
  291   2HG2  ILE  36          HG22      ILE  36  -1.626  12.538  -3.723
  292   3HG2  ILE  36          HG23      ILE  36  -2.246  14.186  -3.831
  293   1HD1  ILE  36          HD11      ILE  36  -3.756  14.699  -0.174
  294   2HD1  ILE  36          HD12      ILE  36  -5.020  13.470  -0.242
  295   3HD1  ILE  36          HD13      ILE  36  -5.387  15.139  -0.678
  296    H    ALA  37           HN       ALA  37  -4.082   9.160  -2.894
  297    HA   ALA  37           HA       ALA  37  -1.790   7.844  -2.386
  298   1HB   ALA  37          HB1       ALA  37  -3.380   7.579  -4.933
  299   2HB   ALA  37          HB2       ALA  37  -3.773   6.821  -3.388
  300   3HB   ALA  37          HB3       ALA  37  -2.300   6.367  -4.243
  301    H    GLU  38           HN       GLU  38  -2.302   9.958  -5.186
  302    HA   GLU  38           HA       GLU  38   0.073   9.519  -6.549
  303   1HB   GLU  38          HB2       GLU  38  -1.451  12.099  -6.189
  304   2HB   GLU  38          HB1       GLU  38  -0.123  11.900  -7.321
  305   1HG   GLU  38          HG2       GLU  38  -1.408  10.145  -8.474
  306   2HG   GLU  38          HG1       GLU  38  -2.750  10.434  -7.366
  307    H    ALA  39           HN       ALA  39  -0.505  11.555  -3.737
  308    HA   ALA  39           HA       ALA  39   2.176  12.683  -3.899
  309   1HB   ALA  39          HB1       ALA  39   0.063  13.115  -1.776
  310   2HB   ALA  39          HB2       ALA  39   0.274  14.111  -3.216
  311   3HB   ALA  39          HB3       ALA  39   1.545  14.046  -1.992
  312    H    VAL  40           HN       VAL  40   0.448  10.232  -1.935
  313    HA   VAL  40           HA       VAL  40   2.594   9.819  -0.177
  314    HB   VAL  40           HB       VAL  40   0.683   7.716  -1.144
  315   1HG1  VAL  40          HG11      VAL  40   2.192   8.057   1.452
  316   2HG1  VAL  40          HG12      VAL  40   2.626   6.942   0.156
  317   3HG1  VAL  40          HG13      VAL  40   1.119   6.720   1.042
  318   1HG2  VAL  40          HG21      VAL  40  -0.562   9.702  -0.441
  319   2HG2  VAL  40          HG22      VAL  40   0.335   9.734   1.078
  320   3HG2  VAL  40          HG23      VAL  40  -0.754   8.394   0.727
  321    H    GLU  41           HN       GLU  41   1.806   8.626  -3.397
  322    HA   GLU  41           HA       GLU  41   4.006   6.940  -3.788
  323   1HB   GLU  41          HB2       GLU  41   2.197   7.004  -5.405
  324   2HB   GLU  41          HB1       GLU  41   2.523   8.695  -5.761
  325   1HG   GLU  41          HG2       GLU  41   4.734   8.047  -6.644
  326   2HG   GLU  41          HG1       GLU  41   4.323   6.359  -6.363
  327    H    ARG  42           HN       ARG  42   3.651  10.479  -4.204
  328    HA   ARG  42           HA       ARG  42   6.147  11.088  -5.092
  329   1HB   ARG  42          HB2       ARG  42   4.092  12.527  -3.563
  330   2HB   ARG  42          HB1       ARG  42   5.717  13.191  -3.479
  331   1HG   ARG  42          HG2       ARG  42   4.266  14.149  -5.276
  332   2HG   ARG  42          HG1       ARG  42   5.814  13.502  -5.828
  333   1HD   ARG  42          HD2       ARG  42   4.737  11.480  -6.586
  334   2HD   ARG  42          HD1       ARG  42   3.195  12.010  -5.923
  335    HE   ARG  42           HE       ARG  42   4.199  13.899  -7.798
  336   1HH1  ARG  42          HH11      ARG  42   2.645  10.756  -7.580
  337   2HH1  ARG  42          HH12      ARG  42   1.849  10.905  -9.115
  338   1HH2  ARG  42          HH21      ARG  42   3.142  14.091  -9.822
  339   2HH2  ARG  42          HH22      ARG  42   2.109  12.796 -10.375
  340    H    GLU  43           HN       GLU  43   5.183  10.216  -1.835
  341    HA   GLU  43           HA       GLU  43   7.691  11.156  -0.707
  342   1HB   GLU  43          HB2       GLU  43   5.398   9.789   0.698
  343   2HB   GLU  43          HB1       GLU  43   6.700  10.710   1.440
  344   1HG   GLU  43          HG2       GLU  43   5.866  12.734   0.302
  345   2HG   GLU  43          HG1       GLU  43   4.519  11.788  -0.330
  346    H    GLN  44           HN       GLN  44   6.734   8.357  -2.188
  347    HA   GLN  44           HA       GLN  44   8.325   6.686  -0.361
  348   1HB   GLN  44          HB2       GLN  44   7.062   4.739  -1.193
  349   2HB   GLN  44          HB1       GLN  44   6.033   5.927  -0.413
  350   1HG   GLN  44          HG2       GLN  44   4.757   5.422  -2.217
  351   2HG   GLN  44          HG1       GLN  44   5.688   6.761  -2.882
  352   1HE2  GLN  44          HE21      GLN  44   5.463   6.069  -4.984
  353   2HE2  GLN  44          HE22      GLN  44   6.264   4.671  -5.595
  354    HA   PRO  45           HA       PRO  45  11.472   6.120  -3.362
  355   1HB   PRO  45          HB2       PRO  45  11.453   3.269  -2.512
  356   2HB   PRO  45          HB1       PRO  45  12.790   4.425  -2.558
  357   1HG   PRO  45          HG2       PRO  45  11.665   3.731  -0.243
  358   2HG   PRO  45          HG1       PRO  45  12.200   5.396  -0.543
  359   1HD   PRO  45          HD2       PRO  45   9.437   4.257  -0.560
  360   2HD   PRO  45          HD1       PRO  45  10.004   5.842   0.004
  361    H    GLU  46           HN       GLU  46  11.471   5.696  -5.470
  362    HA   GLU  46           HA       GLU  46   9.137   4.735  -6.735
  363   1HB   GLU  46          HB2       GLU  46  10.594   6.366  -7.806
  364   2HB   GLU  46          HB1       GLU  46  11.915   5.204  -7.838
  365   1HG   GLU  46          HG2       GLU  46  10.631   3.783  -9.349
  366   2HG   GLU  46          HG1       GLU  46   9.310   4.959  -9.329
  367    H    HIS  47           HN       HIS  47  11.997   3.172  -5.620
  368    HA   HIS  47           HA       HIS  47  12.041   0.901  -7.222
  369   1HB   HIS  47          HB2       HIS  47  13.695   1.651  -5.386
  370   2HB   HIS  47          HB1       HIS  47  12.636   0.801  -4.267
  371    HD1  HIS  47           HD1      HIS  47  15.466   0.307  -6.457
  372    HD2  HIS  47           HD2      HIS  47  12.361  -2.062  -5.015
  373    HE1  HIS  47           HE1      HIS  47  16.220  -2.077  -6.773
  374    HE2  HIS  47           HE2      HIS  47  14.306  -3.494  -5.949
  375    H    LEU  48           HN       LEU  48   9.895   1.763  -4.587
  376    HA   LEU  48           HA       LEU  48   8.485  -0.798  -4.971
  377   1HB   LEU  48          HB2       LEU  48   8.318   1.193  -2.718
  378   2HB   LEU  48          HB1       LEU  48   7.165  -0.099  -2.933
  379    HG   LEU  48           HG       LEU  48   8.559  -0.898  -1.250
  380   1HD1  LEU  48          HD11      LEU  48   9.840  -1.941  -3.799
  381   2HD1  LEU  48          HD12      LEU  48   8.302  -2.502  -3.132
  382   3HD1  LEU  48          HD13      LEU  48   9.802  -2.732  -2.222
  383   1HD2  LEU  48          HD21      LEU  48  11.038  -0.730  -1.430
  384   2HD2  LEU  48          HD22      LEU  48  10.194   0.817  -1.298
  385   3HD2  LEU  48          HD23      LEU  48  10.829   0.282  -2.862
  386    H    ARG  49           HN       ARG  49   8.341   1.632  -6.759
  387    HA   ARG  49           HA       ARG  49   5.916   2.985  -6.221
  388   1HB   ARG  49          HB2       ARG  49   7.653   3.758  -7.865
  389   2HB   ARG  49          HB1       ARG  49   7.100   2.493  -8.957
  390   1HG   ARG  49          HG2       ARG  49   4.867   3.490  -8.982
  391   2HG   ARG  49          HG1       ARG  49   5.432   4.764  -7.900
  392   1HD   ARG  49          HD2       ARG  49   7.156   5.318  -9.657
  393   2HD   ARG  49          HD1       ARG  49   6.287   4.222 -10.733
  394    HE   ARG  49           HE       ARG  49   4.471   6.068  -9.616
  395   1HH1  ARG  49          HH11      ARG  49   7.054   5.858 -11.982
  396   2HH1  ARG  49          HH12      ARG  49   6.535   7.264 -12.861
  397   1HH2  ARG  49          HH21      ARG  49   3.795   7.919 -10.763
  398   2HH2  ARG  49          HH22      ARG  49   4.676   8.438 -12.172
  399    H    SER  50           HN       SER  50   6.638   0.376  -8.499
  400    HA   SER  50           HA       SER  50   3.990  -0.302  -9.121
  401   1HB   SER  50          HB2       SER  50   5.938  -1.159 -10.375
  402   2HB   SER  50          HB1       SER  50   6.372  -2.167  -8.997
  403    HG   SER  50           HG       SER  50   4.297  -3.193  -9.245
  404    H    TRP  51           HN       TRP  51   6.062  -1.351  -6.481
  405    HA   TRP  51           HA       TRP  51   4.337  -3.279  -5.362
  406   1HB   TRP  51          HB2       TRP  51   6.520  -3.470  -4.657
  407   2HB   TRP  51          HB1       TRP  51   6.751  -1.723  -4.536
  408    HD1  TRP  51           HD1      TRP  51   5.668  -0.672  -2.018
  409    HE1  TRP  51           HE1      TRP  51   5.822  -1.862   0.240
  410    HE3  TRP  51           HE3      TRP  51   6.509  -5.388  -3.687
  411    HZ2  TRP  51           HZ2      TRP  51   6.314  -4.440   1.182
  412    HZ3  TRP  51           HZ3      TRP  51   6.840  -7.151  -2.076
  413    HH2  TRP  51           HH2      TRP  51   6.741  -6.722   0.346
  414    H    PHE  52           HN       PHE  52   4.782   0.160  -4.559
  415    HA   PHE  52           HA       PHE  52   2.794   0.513  -2.699
  416   1HB   PHE  52          HB2       PHE  52   4.353   2.276  -3.674
  417   2HB   PHE  52          HB1       PHE  52   3.233   2.395  -5.027
  418    HD1  PHE  52           HD1      PHE  52   3.778   3.115  -1.497
  419    HD2  PHE  52           HD2      PHE  52   1.050   3.407  -4.748
  420    HE1  PHE  52           HE1      PHE  52   2.446   4.732  -0.222
  421    HE2  PHE  52           HE2      PHE  52  -0.297   5.026  -3.476
  422    HZ   PHE  52           HZ       PHE  52   0.404   5.695  -1.211
  423    H    ARG  53           HN       ARG  53   2.448   0.703  -6.231
  424    HA   ARG  53           HA       ARG  53  -0.298   0.823  -6.467
  425   1HB   ARG  53          HB2       ARG  53   1.919   0.078  -8.151
  426   2HB   ARG  53          HB1       ARG  53   0.546  -0.999  -8.427
  427   1HG   ARG  53          HG2       ARG  53  -0.875   0.931  -8.885
  428   2HG   ARG  53          HG1       ARG  53   0.486   2.016  -8.580
  429   1HD   ARG  53          HD2       ARG  53   1.713   0.991 -10.430
  430   2HD   ARG  53          HD1       ARG  53   0.354  -0.090 -10.733
  431    HE   ARG  53           HE       ARG  53  -0.709   2.428 -10.865
  432   1HH1  ARG  53          HH11      ARG  53   1.866   0.716 -12.496
  433   2HH1  ARG  53          HH12      ARG  53   1.701   1.614 -13.976
  434   1HH2  ARG  53          HH21      ARG  53  -0.960   3.593 -12.799
  435   2HH2  ARG  53          HH22      ARG  53   0.073   3.242 -14.159
  436    H    GLU  54           HN       GLU  54   1.742  -2.076  -6.261
  437    HA   GLU  54           HA       GLU  54  -0.390  -3.836  -6.697
  438   1HB   GLU  54          HB2       GLU  54   2.365  -4.336  -5.579
  439   2HB   GLU  54          HB1       GLU  54   1.220  -5.621  -5.955
  440   1HG   GLU  54          HG2       GLU  54   1.174  -4.897  -8.288
  441   2HG   GLU  54          HG1       GLU  54   2.320  -3.612  -7.909
  442    H    ARG  55           HN       ARG  55   1.016  -2.526  -3.780
  443    HA   ARG  55           HA       ARG  55  -0.474  -4.165  -1.989
  444   1HB   ARG  55          HB2       ARG  55   1.391  -1.976  -1.802
  445   2HB   ARG  55          HB1       ARG  55   0.023  -1.696  -0.732
  446   1HG   ARG  55          HG2       ARG  55   1.884  -2.876   0.363
  447   2HG   ARG  55          HG1       ARG  55   0.382  -3.804   0.360
  448   1HD   ARG  55          HD2       ARG  55   1.204  -5.072  -1.589
  449   2HD   ARG  55          HD1       ARG  55   2.720  -4.173  -1.508
  450    HE   ARG  55           HE       ARG  55   2.631  -5.172   0.948
  451   1HH1  ARG  55          HH11      ARG  55   1.944  -6.734  -2.129
  452   2HH1  ARG  55          HH12      ARG  55   2.460  -8.304  -1.586
  453   1HH2  ARG  55          HH21      ARG  55   3.330  -7.234   1.643
  454   2HH2  ARG  55          HH22      ARG  55   3.252  -8.585   0.548
  455    H    LEU  56           HN       LEU  56  -0.984  -0.960  -3.434
  456    HA   LEU  56           HA       LEU  56  -3.511  -0.421  -2.341
  457   1HB   LEU  56          HB2       LEU  56  -2.490   0.233  -5.114
  458   2HB   LEU  56          HB1       LEU  56  -3.912   0.937  -4.373
  459    HG   LEU  56           HG       LEU  56  -1.071   1.296  -3.394
  460   1HD1  LEU  56          HD11      LEU  56  -1.346   3.584  -4.204
  461   2HD1  LEU  56          HD12      LEU  56  -2.942   3.175  -4.834
  462   3HD1  LEU  56          HD13      LEU  56  -1.503   2.418  -5.517
  463   1HD2  LEU  56          HD21      LEU  56  -2.758   1.375  -1.598
  464   2HD2  LEU  56          HD22      LEU  56  -3.640   2.609  -2.498
  465   3HD2  LEU  56          HD23      LEU  56  -2.021   2.951  -1.891
  466    H    ILE  57           HN       ILE  57  -2.488  -2.397  -5.059
  467    HA   ILE  57           HA       ILE  57  -4.919  -3.007  -6.210
  468    HB   ILE  57           HB       ILE  57  -2.319  -4.485  -6.022
  469   1HG1  ILE  57          HG12      ILE  57  -2.345  -2.387  -7.281
  470   2HG1  ILE  57          HG11      ILE  57  -2.073  -3.763  -8.337
  471   1HG2  ILE  57          HG21      ILE  57  -3.057  -5.994  -7.732
  472   2HG2  ILE  57          HG22      ILE  57  -4.655  -5.248  -7.747
  473   3HG2  ILE  57          HG23      ILE  57  -4.103  -6.126  -6.321
  474   1HD1  ILE  57          HD11      ILE  57  -4.434  -3.684  -9.013
  475   2HD1  ILE  57          HD12      ILE  57  -3.582  -2.181  -9.368
  476   3HD1  ILE  57          HD13      ILE  57  -4.664  -2.274  -7.978
  477    H    ALA  58           HN       ALA  58  -3.098  -4.901  -3.790
  478    HA   ALA  58           HA       ALA  58  -5.070  -6.896  -3.460
  479   1HB   ALA  58          HB1       ALA  58  -2.747  -7.241  -2.820
  480   2HB   ALA  58          HB2       ALA  58  -3.814  -7.518  -1.443
  481   3HB   ALA  58          HB3       ALA  58  -2.894  -6.018  -1.560
  482    H    HIS  59           HN       HIS  59  -4.522  -3.830  -1.818
  483    HA   HIS  59           HA       HIS  59  -6.483  -4.341   0.206
  484   1HB   HIS  59          HB2       HIS  59  -5.002  -1.810  -0.543
  485   2HB   HIS  59          HB1       HIS  59  -6.131  -1.925   0.804
  486    HD1  HIS  59           HD1      HIS  59  -5.253  -4.650   1.971
  487    HD2  HIS  59           HD2      HIS  59  -2.617  -1.666   0.763
  488    HE1  HIS  59           HE1      HIS  59  -3.127  -5.068   3.244
  489    HE2  HIS  59           HE2      HIS  59  -1.484  -3.390   2.333
  490    H    ARG  60           HN       ARG  60  -6.451  -2.842  -2.942
  491    HA   ARG  60           HA       ARG  60  -9.097  -1.794  -2.805
  492   1HB   ARG  60          HB2       ARG  60  -7.386  -1.170  -4.530
  493   2HB   ARG  60          HB1       ARG  60  -7.571  -2.764  -5.239
  494   1HG   ARG  60          HG2       ARG  60  -9.956  -0.995  -4.934
  495   2HG   ARG  60          HG1       ARG  60  -8.817  -0.721  -6.251
  496   1HD   ARG  60          HD2       ARG  60 -10.301  -3.288  -5.684
  497   2HD   ARG  60          HD1       ARG  60 -10.668  -2.136  -6.970
  498    HE   ARG  60           HE       ARG  60  -8.014  -2.889  -7.284
  499   1HH1  ARG  60          HH11      ARG  60 -11.185  -4.340  -7.468
  500   2HH1  ARG  60          HH12      ARG  60 -10.703  -5.583  -8.586
  501   1HH2  ARG  60          HH21      ARG  60  -7.361  -4.519  -8.760
  502   2HH2  ARG  60          HH22      ARG  60  -8.513  -5.693  -9.301
  503    H    LEU  61           HN       LEU  61  -7.673  -4.902  -3.602
  504    HA   LEU  61           HA       LEU  61 -10.096  -6.211  -4.300
  505   1HB   LEU  61          HB2       LEU  61  -7.473  -7.284  -3.268
  506   2HB   LEU  61          HB1       LEU  61  -8.798  -8.299  -3.802
  507    HG   LEU  61           HG       LEU  61  -7.423  -6.276  -5.563
  508   1HD1  LEU  61          HD11      LEU  61  -7.000  -9.249  -5.363
  509   2HD1  LEU  61          HD12      LEU  61  -5.843  -7.993  -4.923
  510   3HD1  LEU  61          HD13      LEU  61  -6.326  -8.198  -6.608
  511   1HD2  LEU  61          HD21      LEU  61  -9.310  -8.543  -6.194
  512   2HD2  LEU  61          HD22      LEU  61  -8.539  -7.479  -7.370
  513   3HD2  LEU  61          HD23      LEU  61  -9.711  -6.826  -6.226
  514    H    ALA  62           HN       ALA  62  -8.597  -5.374  -1.264
  515    HA   ALA  62           HA       ALA  62 -10.549  -6.842   0.300
  516   1HB   ALA  62          HB1       ALA  62  -8.791  -4.521   1.105
  517   2HB   ALA  62          HB2       ALA  62  -8.358  -6.224   1.232
  518   3HB   ALA  62          HB3       ALA  62  -9.685  -5.581   2.196
  519    H    SER  63           HN       SER  63 -10.170  -3.528  -0.844
  520    HA   SER  63           HA       SER  63 -12.331  -2.400   0.535
  521   1HB   SER  63          HB2       SER  63 -10.601  -1.000  -0.390
  522   2HB   SER  63          HB1       SER  63 -10.954  -1.562  -2.024
  523    HG   SER  63           HG       SER  63 -13.191  -0.589  -0.916
  524    H    VAL  64           HN       VAL  64 -12.213  -4.148  -2.507
  525    HA   VAL  64           HA       VAL  64 -14.625  -3.642  -3.639
  526    HB   VAL  64           HB       VAL  64 -13.012  -5.374  -4.441
  527   1HG1  VAL  64          HG11      VAL  64 -13.197  -7.664  -3.648
  528   2HG1  VAL  64          HG12      VAL  64 -14.371  -7.161  -2.431
  529   3HG1  VAL  64          HG13      VAL  64 -12.705  -6.588  -2.340
  530   1HG2  VAL  64          HG21      VAL  64 -15.169  -5.151  -5.493
  531   2HG2  VAL  64          HG22      VAL  64 -15.905  -6.198  -4.279
  532   3HG2  VAL  64          HG23      VAL  64 -14.722  -6.854  -5.410
  533    H    ASN  65           HN       ASN  65 -14.137  -5.720  -0.785
  534    HA   ASN  65           HA       ASN  65 -16.837  -6.275  -0.302
  535   1HB   ASN  65          HB2       ASN  65 -14.412  -6.166   1.500
  536   2HB   ASN  65          HB1       ASN  65 -15.994  -6.729   2.048
  537   1HD2  ASN  65          HD21      ASN  65 -13.180  -7.434   0.187
  538   2HD2  ASN  65          HD22      ASN  65 -13.568  -9.085  -0.172
  539    H    LEU  66           HN       LEU  66 -14.774  -4.105   1.625
  540    HA   LEU  66           HA       LEU  66 -15.171  -2.192   2.782
  541   1HB   LEU  66          HB2       LEU  66 -16.035  -1.749   0.218
  542   2HB   LEU  66          HB1       LEU  66 -17.446  -1.324   1.180
  543    HG   LEU  66           HG       LEU  66 -15.928   0.206   2.514
  544   1HD1  LEU  66          HD11      LEU  66 -14.107  -0.242   0.159
  545   2HD1  LEU  66          HD12      LEU  66 -13.795  -0.755   1.816
  546   3HD1  LEU  66          HD13      LEU  66 -13.890   0.963   1.427
  547   1HD2  LEU  66          HD21      LEU  66 -16.029   1.986   0.815
  548   2HD2  LEU  66          HD22      LEU  66 -17.531   1.063   0.922
  549   3HD2  LEU  66          HD23      LEU  66 -16.407   0.769  -0.407
  550    H    SER  67           HN       SER  67 -17.407  -0.676   2.948
  551    HA   SER  67           HA       SER  67 -18.796  -1.392   5.112
  552   1HB   SER  67          HB2       SER  67 -18.800   0.834   4.045
  553   2HB   SER  67          HB1       SER  67 -19.959   0.233   2.864
  554    HG   SER  67           HG       SER  67 -20.559  -0.071   5.590
  555    H    ARG  68           HN       ARG  68 -21.027  -1.913   5.507
  556    HA   ARG  68           HA       ARG  68 -22.946  -3.083   5.350
  557   1HB   ARG  68          HB2       ARG  68 -22.231  -3.563   2.453
  558   2HB   ARG  68          HB1       ARG  68 -23.763  -3.986   3.207
  559   1HG   ARG  68          HG2       ARG  68 -24.018  -1.534   3.758
  560   2HG   ARG  68          HG1       ARG  68 -22.645  -1.249   2.687
  561   1HD   ARG  68          HD2       ARG  68 -24.743  -0.929   1.500
  562   2HD   ARG  68          HD1       ARG  68 -23.870  -2.319   0.851
  563    HE   ARG  68           HE       ARG  68 -25.422  -3.590   2.500
  564   1HH1  ARG  68          HH11      ARG  68 -26.285  -0.837   0.503
  565   2HH1  ARG  68          HH12      ARG  68 -27.972  -1.273   0.429
  566   1HH2  ARG  68          HH21      ARG  68 -27.613  -4.155   2.405
  567   2HH2  ARG  68          HH22      ARG  68 -28.733  -3.154   1.527
  568    H    LEU  69           HN       LEU  69 -20.661  -4.847   3.254
  569    HA   LEU  69           HA       LEU  69 -20.579  -6.959   5.289
  570   1HB   LEU  69          HB2       LEU  69 -21.059  -7.406   2.339
  571   2HB   LEU  69          HB1       LEU  69 -20.563  -8.673   3.440
  572    HG   LEU  69           HG       LEU  69 -22.743  -7.961   4.744
  573   1HD1  LEU  69          HD11      LEU  69 -23.376  -7.121   1.920
  574   2HD1  LEU  69          HD12      LEU  69 -23.265  -6.051   3.317
  575   3HD1  LEU  69          HD13      LEU  69 -24.533  -7.275   3.241
  576   1HD2  LEU  69          HD21      LEU  69 -22.320 -10.167   3.801
  577   2HD2  LEU  69          HD22      LEU  69 -22.777  -9.584   2.202
  578   3HD2  LEU  69          HD23      LEU  69 -23.980  -9.659   3.488
  579    HA   PRO  70           HA       PRO  70 -16.379  -6.155   3.958
  580   1HB   PRO  70          HB2       PRO  70 -15.333  -6.151   6.465
  581   2HB   PRO  70          HB1       PRO  70 -16.166  -4.766   5.765
  582   1HG   PRO  70          HG2       PRO  70 -16.991  -6.432   7.957
  583   2HG   PRO  70          HG1       PRO  70 -17.796  -4.989   7.311
  584   1HD   PRO  70          HD2       PRO  70 -18.287  -7.852   6.747
  585   2HD   PRO  70          HD1       PRO  70 -19.415  -6.478   6.631
  586    H    TYR  71           HN       TYR  71 -15.818  -7.983   2.963
  587    HA   TYR  71           HA       TYR  71 -14.169  -9.491   2.687
  588   1HB   TYR  71          HB2       TYR  71 -14.108  -9.605   5.657
  589   2HB   TYR  71          HB1       TYR  71 -12.929 -10.290   4.535
  590    HD1  TYR  71           HD1      TYR  71 -14.041  -7.324   6.277
  591    HD2  TYR  71           HD2      TYR  71 -11.701  -8.763   3.023
  592    HE1  TYR  71           HE1      TYR  71 -12.819  -5.178   6.197
  593    HE2  TYR  71           HE2      TYR  71 -10.500  -6.637   2.925
  594    HH   TYR  71           HH       TYR  71 -10.614  -4.335   5.400
  595    H    GLU  72           HN       GLU  72 -14.892 -11.272   1.842
  596    HA   GLU  72           HA       GLU  72 -16.022 -13.296   3.478
  597   1HB   GLU  72          HB2       GLU  72 -17.435 -12.378   0.972
  598   2HB   GLU  72          HB1       GLU  72 -17.839 -13.825   1.881
  599   1HG   GLU  72          HG2       GLU  72 -18.092 -12.083   3.851
  600   2HG   GLU  72          HG1       GLU  72 -18.370 -10.977   2.505
  601    HA   PRO  73           HA       PRO  73 -12.959 -14.632   0.403
  602   1HB   PRO  73          HB2       PRO  73 -11.249 -15.890   2.048
  603   2HB   PRO  73          HB1       PRO  73 -11.271 -14.128   1.911
  604   1HG   PRO  73          HG2       PRO  73 -12.426 -15.877   4.038
  605   2HG   PRO  73          HG1       PRO  73 -11.608 -14.312   4.192
  606   1HD   PRO  73          HD2       PRO  73 -14.357 -14.689   4.212
  607   2HD   PRO  73          HD1       PRO  73 -13.541 -13.154   3.856
  608    H    LYS  74           HN       LYS  74 -15.472 -15.938   1.232
  609    HA   LYS  74           HA       LYS  74 -14.666 -18.762   1.336
  610   1HB   LYS  74          HB2       LYS  74 -16.899 -19.150   2.407
  611   2HB   LYS  74          HB1       LYS  74 -15.793 -18.187   3.372
  612   1HG   LYS  74          HG2       LYS  74 -17.818 -17.088   3.630
  613   2HG   LYS  74          HG1       LYS  74 -17.022 -16.152   2.365
  614   1HD   LYS  74          HD2       LYS  74 -18.299 -17.445   0.673
  615   2HD   LYS  74          HD1       LYS  74 -19.143 -18.270   1.984
  616   1HE   LYS  74          HE2       LYS  74 -19.171 -15.299   1.467
  617   2HE   LYS  74          HE1       LYS  74 -20.457 -16.426   1.038
  618   1HZ   LYS  74          HZ1       LYS  74 -20.668 -16.962   3.417
  619   2HZ   LYS  74          HZ2       LYS  74 -21.000 -15.335   3.082
  620   3HZ   LYS  74          HZ3       LYS  74 -19.517 -15.766   3.778
  621    H    LEU  75           HN       LEU  75 -15.888 -20.257   0.104
  622    HA   LEU  75           HA       LEU  75 -16.924 -19.307  -2.307
  623   1HB   LEU  75          HB2       LEU  75 -17.564 -21.758  -2.637
  624   2HB   LEU  75          HB1       LEU  75 -15.862 -21.365  -2.500
  625    HG   LEU  75           HG       LEU  75 -16.110 -21.997  -0.017
  626   1HD1  LEU  75          HD11      LEU  75 -18.584 -23.314  -1.122
  627   2HD1  LEU  75          HD12      LEU  75 -18.530 -22.045   0.099
  628   3HD1  LEU  75          HD13      LEU  75 -17.866 -23.640   0.454
  629   1HD2  LEU  75          HD21      LEU  75 -16.363 -24.096  -2.160
  630   2HD2  LEU  75          HD22      LEU  75 -15.739 -24.352  -0.531
  631   3HD2  LEU  75          HD23      LEU  75 -14.873 -23.302  -1.650
  632    H    LYS  76           HN       LYS  76 -19.088 -19.534  -3.113
  633    HA   LYS  76           HA       LYS  76 -21.121 -19.792  -1.009
  634   1HB   LYS  76          HB2       LYS  76 -22.325 -17.858  -2.142
  635   2HB   LYS  76          HB1       LYS  76 -20.905 -17.451  -1.189
  636   1HG   LYS  76          HG2       LYS  76 -19.610 -17.022  -3.079
  637   2HG   LYS  76          HG1       LYS  76 -20.717 -17.889  -4.146
  638   1HD   LYS  76          HD2       LYS  76 -21.275 -15.276  -2.745
  639   2HD   LYS  76          HD1       LYS  76 -20.911 -15.482  -4.462
  640   1HE   LYS  76          HE2       LYS  76 -23.329 -16.487  -2.966
  641   2HE   LYS  76          HE1       LYS  76 -23.284 -15.252  -4.223
  642   1HZ   LYS  76          HZ1       LYS  76 -24.058 -17.306  -5.148
  643   2HZ   LYS  76          HZ2       LYS  76 -22.707 -18.145  -4.560
  644   3HZ   LYS  76          HZ3       LYS  76 -22.516 -16.982  -5.780
  Start of MODEL    2
    1   1H    MET   1           HT1      MET   1  20.167  15.537   1.836
    2   2H    MET   1           HT2      MET   1  20.558  14.724   0.399
    3   3H    MET   1           HT3      MET   1  19.978  13.857   1.735
    4    HA   MET   1           HA       MET   1  17.851  14.878   1.578
    5   1HB   MET   1          HB2       MET   1  19.111  16.413  -0.696
    6   2HB   MET   1          HB1       MET   1  17.376  16.327  -0.437
    7   1HG   MET   1          HG2       MET   1  17.704  17.329   1.800
    8   2HG   MET   1          HG1       MET   1  19.419  17.502   1.430
    9   1HE   MET   1          HE1       MET   1  16.058  19.683  -0.863
   10   2HE   MET   1          HE2       MET   1  15.777  18.564   0.469
   11   3HE   MET   1          HE3       MET   1  16.400  17.963  -1.070
   12    H    LEU   2           HN       LEU   2  19.755  12.756   0.189
   13    HA   LEU   2           HA       LEU   2  17.772  11.981  -1.842
   14   1HB   LEU   2          HB2       LEU   2  20.711  11.299  -1.717
   15   2HB   LEU   2          HB1       LEU   2  19.586  10.657  -2.898
   16    HG   LEU   2           HG       LEU   2  20.369  13.561  -2.597
   17   1HD1  LEU   2          HD11      LEU   2  22.143  12.194  -3.544
   18   2HD1  LEU   2          HD12      LEU   2  21.442  13.251  -4.770
   19   3HD1  LEU   2          HD13      LEU   2  21.019  11.539  -4.734
   20   1HD2  LEU   2          HD21      LEU   2  18.551  12.224  -4.600
   21   2HD2  LEU   2          HD22      LEU   2  19.079  13.905  -4.651
   22   3HD2  LEU   2          HD23      LEU   2  18.057  13.342  -3.329
   23    H    LYS   3           HN       LYS   3  20.333  10.150  -0.193
   24    HA   LYS   3           HA       LYS   3  20.334   8.147   0.862
   25   1HB   LYS   3          HB2       LYS   3  17.758   9.330   1.837
   26   2HB   LYS   3          HB1       LYS   3  18.211   7.697   2.302
   27   1HG   LYS   3          HG2       LYS   3  20.299   8.550   3.254
   28   2HG   LYS   3          HG1       LYS   3  19.827  10.189   2.798
   29   1HD   LYS   3          HD2       LYS   3  17.971  10.152   4.293
   30   2HD   LYS   3          HD1       LYS   3  18.176   8.426   4.601
   31   1HE   LYS   3          HE2       LYS   3  20.201  10.547   5.312
   32   2HE   LYS   3          HE1       LYS   3  19.010   9.888   6.434
   33   1HZ   LYS   3          HZ1       LYS   3  19.991   7.709   6.184
   34   2HZ   LYS   3          HZ2       LYS   3  21.187   8.817   6.646
   35   3HZ   LYS   3          HZ3       LYS   3  21.096   8.288   5.035
   36    H    ASN   4           HN       ASN   4  19.012   8.432  -1.868
   37    HA   ASN   4           HA       ASN   4  17.357   6.019  -1.849
   38   1HB   ASN   4          HB2       ASN   4  16.568   8.006  -3.127
   39   2HB   ASN   4          HB1       ASN   4  17.987   7.874  -4.160
   40   1HD2  ASN   4          HD21      ASN   4  16.202   5.111  -2.912
   41   2HD2  ASN   4          HD22      ASN   4  15.574   4.600  -4.439
   42    H    LEU   5           HN       LEU   5  20.213   7.337  -3.513
   43    HA   LEU   5           HA       LEU   5  20.978   4.694  -4.407
   44   1HB   LEU   5          HB2       LEU   5  21.414   6.566  -5.887
   45   2HB   LEU   5          HB1       LEU   5  22.365   7.367  -4.650
   46    HG   LEU   5           HG       LEU   5  24.032   5.538  -4.777
   47   1HD1  LEU   5          HD11      LEU   5  22.355   4.578  -7.087
   48   2HD1  LEU   5          HD12      LEU   5  22.551   3.758  -5.538
   49   3HD1  LEU   5          HD13      LEU   5  23.933   3.945  -6.619
   50   1HD2  LEU   5          HD21      LEU   5  24.976   6.183  -6.921
   51   2HD2  LEU   5          HD22      LEU   5  24.306   7.586  -6.088
   52   3HD2  LEU   5          HD23      LEU   5  23.421   6.844  -7.421
   53    H    ALA   6           HN       ALA   6  21.526   3.445  -2.743
   54    HA   ALA   6           HA       ALA   6  24.018   3.949  -1.401
   55   1HB   ALA   6          HB1       ALA   6  23.126   3.720   0.875
   56   2HB   ALA   6          HB2       ALA   6  21.485   3.710   0.228
   57   3HB   ALA   6          HB3       ALA   6  22.482   5.156   0.077
   58    H    LYS   7           HN       LYS   7  24.816   2.014  -0.365
   59    HA   LYS   7           HA       LYS   7  23.545  -0.369  -1.505
   60   1HB   LYS   7          HB2       LYS   7  26.378   0.068  -0.545
   61   2HB   LYS   7          HB1       LYS   7  25.757  -1.452  -1.177
   62   1HG   LYS   7          HG2       LYS   7  25.230  -0.278  -3.307
   63   2HG   LYS   7          HG1       LYS   7  26.032   1.153  -2.662
   64   1HD   LYS   7          HD2       LYS   7  27.335  -1.548  -3.004
   65   2HD   LYS   7          HD1       LYS   7  27.481  -0.213  -4.147
   66   1HE   LYS   7          HE2       LYS   7  28.495   1.164  -2.388
   67   2HE   LYS   7          HE1       LYS   7  28.371  -0.188  -1.264
   68   1HZ   LYS   7          HZ1       LYS   7  29.859  -1.458  -2.650
   69   2HZ   LYS   7          HZ2       LYS   7  30.590   0.023  -2.253
   70   3HZ   LYS   7          HZ3       LYS   7  29.926  -0.211  -3.796
   71    H    LEU   8           HN       LEU   8  22.208  -1.293  -0.157
   72    HA   LEU   8           HA       LEU   8  23.109  -2.250   2.397
   73   1HB   LEU   8          HB2       LEU   8  21.538  -1.146   3.802
   74   2HB   LEU   8          HB1       LEU   8  22.378   0.096   2.899
   75    HG   LEU   8           HG       LEU   8  19.622  -0.919   2.188
   76   1HD1  LEU   8          HD11      LEU   8  18.801   1.171   3.176
   77   2HD1  LEU   8          HD12      LEU   8  20.431   1.530   3.747
   78   3HD1  LEU   8          HD13      LEU   8  19.567   0.126   4.375
   79   1HD2  LEU   8          HD21      LEU   8  20.839   0.101   0.323
   80   2HD2  LEU   8          HD22      LEU   8  21.132   1.540   1.301
   81   3HD2  LEU   8          HD23      LEU   8  19.487   1.107   0.839
   82    H    ASP   9           HN       ASP   9  21.640  -3.781   3.321
   83    HA   ASP   9           HA       ASP   9  19.797  -4.913   1.338
   84   1HB   ASP   9          HB2       ASP   9  19.962  -6.998   2.598
   85   2HB   ASP   9          HB1       ASP   9  21.562  -6.428   2.134
   86    H    GLN  10           HN       GLN  10  19.207  -2.662   3.000
   87    HA   GLN  10           HA       GLN  10  17.153  -3.810   4.695
   88   1HB   GLN  10          HB2       GLN  10  18.793  -2.140   5.659
   89   2HB   GLN  10          HB1       GLN  10  18.034  -0.924   4.644
   90   1HG   GLN  10          HG2       GLN  10  17.240  -0.936   6.992
   91   2HG   GLN  10          HG1       GLN  10  15.964  -1.149   5.796
   92   1HE2  GLN  10          HE21      GLN  10  17.894  -2.732   8.234
   93   2HE2  GLN  10          HE22      GLN  10  16.858  -4.111   8.433
   94    H    THR  11           HN       THR  11  16.912  -3.870   1.946
   95    HA   THR  11           HA       THR  11  14.984  -1.798   1.191
   96    HB   THR  11           HB       THR  11  16.255  -4.115  -0.295
   97    HG1  THR  11           HG1      THR  11  16.536  -1.306  -0.241
   98   1HG2  THR  11          HG21      THR  11  15.139  -3.275  -2.327
   99   2HG2  THR  11          HG22      THR  11  14.230  -2.131  -1.342
  100   3HG2  THR  11          HG23      THR  11  13.973  -3.863  -1.143
  101    H    GLU  12           HN       GLU  12  15.009  -4.832   2.762
  102    HA   GLU  12           HA       GLU  12  12.362  -5.554   2.233
  103   1HB   GLU  12          HB2       GLU  12  14.000  -5.832   4.743
  104   2HB   GLU  12          HB1       GLU  12  12.436  -6.599   4.500
  105   1HG   GLU  12          HG2       GLU  12  13.406  -7.781   2.535
  106   2HG   GLU  12          HG1       GLU  12  14.977  -7.120   2.981
  107    H    MET  13           HN       MET  13  13.817  -3.016   3.878
  108    HA   MET  13           HA       MET  13  11.540  -2.274   5.475
  109   1HB   MET  13          HB2       MET  13  13.078  -1.076   6.601
  110   2HB   MET  13          HB1       MET  13  14.301  -1.610   5.459
  111   1HG   MET  13          HG2       MET  13  13.837   0.292   4.038
  112   2HG   MET  13          HG1       MET  13  12.573   0.831   5.140
  113   1HE   MET  13          HE1       MET  13  15.417   3.499   5.608
  114   2HE   MET  13          HE2       MET  13  13.715   3.246   5.223
  115   3HE   MET  13          HE3       MET  13  14.964   2.673   4.118
  116    H    ASP  14           HN       ASP  14  13.297  -1.236   2.579
  117    HA   ASP  14           HA       ASP  14  11.776   0.744   1.697
  118   1HB   ASP  14          HB2       ASP  14  13.102  -1.461   0.193
  119   2HB   ASP  14          HB1       ASP  14  12.187  -0.233  -0.662
  120    H    LYS  15           HN       LYS  15  11.139  -2.646   0.996
  121    HA   LYS  15           HA       LYS  15   8.709  -2.440  -0.339
  122   1HB   LYS  15          HB2       LYS  15   9.720  -4.690   1.413
  123   2HB   LYS  15          HB1       LYS  15   8.481  -4.819   0.173
  124   1HG   LYS  15          HG2       LYS  15  10.047  -4.462  -1.561
  125   2HG   LYS  15          HG1       LYS  15  11.296  -3.953  -0.422
  126   1HD   LYS  15          HD2       LYS  15  11.215  -6.253   0.563
  127   2HD   LYS  15          HD1       LYS  15  10.137  -6.717  -0.755
  128   1HE   LYS  15          HE2       LYS  15  12.914  -5.593  -1.125
  129   2HE   LYS  15          HE1       LYS  15  12.522  -7.312  -1.145
  130   1HZ   LYS  15          HZ1       LYS  15  11.052  -6.903  -3.032
  131   2HZ   LYS  15          HZ2       LYS  15  12.649  -6.442  -3.379
  132   3HZ   LYS  15          HZ3       LYS  15  11.487  -5.264  -3.030
  133    H    VAL  16           HN       VAL  16   9.225  -3.216   3.170
  134    HA   VAL  16           HA       VAL  16   6.494  -3.462   3.689
  135    HB   VAL  16           HB       VAL  16   7.125  -3.206   6.039
  136   1HG1  VAL  16          HG11      VAL  16   8.457  -5.246   6.191
  137   2HG1  VAL  16          HG12      VAL  16   8.853  -5.094   4.479
  138   3HG1  VAL  16          HG13      VAL  16   7.185  -5.386   4.977
  139   1HG2  VAL  16          HG21      VAL  16   9.510  -3.118   6.654
  140   2HG2  VAL  16          HG22      VAL  16   8.899  -1.626   5.942
  141   3HG2  VAL  16          HG23      VAL  16   9.871  -2.730   4.971
  142    H    ASN  17           HN       ASN  17   8.675  -0.720   3.897
  143    HA   ASN  17           HA       ASN  17   6.865   1.088   5.055
  144   1HB   ASN  17          HB2       ASN  17   9.294   1.493   3.329
  145   2HB   ASN  17          HB1       ASN  17   8.319   2.853   3.876
  146   1HD2  ASN  17          HD21      ASN  17   7.691   1.454   6.414
  147   2HD2  ASN  17          HD22      ASN  17   9.114   1.597   7.380
  148    H    VAL  18           HN       VAL  18   7.500   0.336   1.595
  149    HA   VAL  18           HA       VAL  18   5.609   2.253   0.763
  150    HB   VAL  18           HB       VAL  18   6.837   0.028  -0.796
  151   1HG1  VAL  18          HG11      VAL  18   5.231   2.429  -1.684
  152   2HG1  VAL  18          HG12      VAL  18   4.730   0.742  -1.802
  153   3HG1  VAL  18          HG13      VAL  18   6.092   1.327  -2.759
  154   1HG2  VAL  18          HG21      VAL  18   8.255   1.828  -1.675
  155   2HG2  VAL  18          HG22      VAL  18   8.428   1.673   0.073
  156   3HG2  VAL  18          HG23      VAL  18   7.455   2.979  -0.605
  157    H    ASP  19           HN       ASP  19   5.475  -1.068   1.687
  158    HA   ASP  19           HA       ASP  19   2.901  -1.712   0.672
  159   1HB   ASP  19          HB2       ASP  19   4.560  -3.388   1.520
  160   2HB   ASP  19          HB1       ASP  19   4.265  -2.804   3.151
  161    H    LEU  20           HN       LEU  20   4.026  -0.649   3.858
  162    HA   LEU  20           HA       LEU  20   1.526  -0.477   5.102
  163   1HB   LEU  20          HB2       LEU  20   3.880  -0.440   6.129
  164   2HB   LEU  20          HB1       LEU  20   3.888   1.272   5.765
  165    HG   LEU  20           HG       LEU  20   3.296   0.624   8.141
  166   1HD1  LEU  20          HD11      LEU  20   1.544   2.308   8.359
  167   2HD1  LEU  20          HD12      LEU  20   1.283   2.268   6.614
  168   3HD1  LEU  20          HD13      LEU  20   2.819   2.842   7.264
  169   1HD2  LEU  20          HD21      LEU  20   1.879  -1.293   7.597
  170   2HD2  LEU  20          HD22      LEU  20   0.706  -0.213   6.844
  171   3HD2  LEU  20          HD23      LEU  20   1.017  -0.106   8.577
  172    H    ALA  21           HN       ALA  21   3.445   1.989   3.381
  173    HA   ALA  21           HA       ALA  21   1.733   4.149   3.803
  174   1HB   ALA  21          HB1       ALA  21   2.785   5.157   1.841
  175   2HB   ALA  21          HB2       ALA  21   3.479   3.595   1.408
  176   3HB   ALA  21          HB3       ALA  21   3.981   4.401   2.894
  177    H    ALA  22           HN       ALA  22   1.832   1.830   1.098
  178    HA   ALA  22           HA       ALA  22  -0.402   2.941  -0.253
  179   1HB   ALA  22          HB1       ALA  22   0.760   0.167  -0.479
  180   2HB   ALA  22          HB2       ALA  22   1.280   1.583  -1.392
  181   3HB   ALA  22          HB3       ALA  22  -0.341   0.929  -1.625
  182    H    ALA  23           HN       ALA  23  -0.111   0.844   2.452
  183    HA   ALA  23           HA       ALA  23  -2.702  -0.393   2.219
  184   1HB   ALA  23          HB1       ALA  23  -0.857  -1.439   3.504
  185   2HB   ALA  23          HB2       ALA  23  -2.296  -1.171   4.489
  186   3HB   ALA  23          HB3       ALA  23  -0.916  -0.083   4.634
  187    H    GLY  24           HN       GLY  24  -1.153   2.217   3.916
  188   1HA   GLY  24          HA2       GLY  24  -3.352   3.002   5.466
  189   2HA   GLY  24          HA1       GLY  24  -1.934   3.970   5.089
  190    H    VAL  25           HN       VAL  25  -2.099   4.041   2.339
  191    HA   VAL  25           HA       VAL  25  -3.946   6.116   1.875
  192    HB   VAL  25           HB       VAL  25  -2.481   4.388  -0.131
  193   1HG1  VAL  25          HG11      VAL  25  -4.378   5.493  -1.157
  194   2HG1  VAL  25          HG12      VAL  25  -2.875   6.240  -1.698
  195   3HG1  VAL  25          HG13      VAL  25  -3.868   7.040  -0.480
  196   1HG2  VAL  25          HG21      VAL  25  -0.974   5.577   1.386
  197   2HG2  VAL  25          HG22      VAL  25  -1.780   7.098   1.011
  198   3HG2  VAL  25          HG23      VAL  25  -0.877   6.250  -0.241
  199    H    ALA  26           HN       ALA  26  -3.978   2.685   0.894
  200    HA   ALA  26           HA       ALA  26  -6.338   2.668  -0.555
  201   1HB   ALA  26          HB1       ALA  26  -5.242   0.487   1.212
  202   2HB   ALA  26          HB2       ALA  26  -4.846   0.761  -0.484
  203   3HB   ALA  26          HB3       ALA  26  -6.478   0.272  -0.027
  204    H    PHE  27           HN       PHE  27  -5.970   1.971   2.933
  205    HA   PHE  27           HA       PHE  27  -8.736   1.659   3.403
  206   1HB   PHE  27          HB2       PHE  27  -6.400   2.195   5.218
  207   2HB   PHE  27          HB1       PHE  27  -8.043   2.119   5.843
  208    HD1  PHE  27           HD1      PHE  27  -5.306   0.208   4.339
  209    HD2  PHE  27           HD2      PHE  27  -9.237   0.036   5.949
  210    HE1  PHE  27           HE1      PHE  27  -5.137  -2.242   4.468
  211    HE2  PHE  27           HE2      PHE  27  -9.077  -2.416   6.085
  212    HZ   PHE  27           HZ       PHE  27  -7.025  -3.558   5.345
  213    H    LYS  28           HN       LYS  28  -6.644   4.391   4.352
  214    HA   LYS  28           HA       LYS  28  -8.430   6.281   5.023
  215   1HB   LYS  28          HB2       LYS  28  -5.907   6.525   3.473
  216   2HB   LYS  28          HB1       LYS  28  -6.916   7.952   3.687
  217   1HG   LYS  28          HG2       LYS  28  -6.842   7.554   6.147
  218   2HG   LYS  28          HG1       LYS  28  -5.695   6.246   5.851
  219   1HD   LYS  28          HD2       LYS  28  -5.127   8.942   4.718
  220   2HD   LYS  28          HD1       LYS  28  -4.871   8.677   6.443
  221   1HE   LYS  28          HE2       LYS  28  -3.703   6.896   4.314
  222   2HE   LYS  28          HE1       LYS  28  -2.864   8.314   4.946
  223   1HZ   LYS  28          HZ1       LYS  28  -3.180   7.274   7.205
  224   2HZ   LYS  28          HZ2       LYS  28  -2.081   6.495   6.178
  225   3HZ   LYS  28          HZ3       LYS  28  -3.636   5.847   6.405
  226    H    GLU  29           HN       GLU  29  -7.553   5.820   1.589
  227    HA   GLU  29           HA       GLU  29  -9.242   7.841   0.640
  228   1HB   GLU  29          HB2       GLU  29  -7.338   6.298  -0.470
  229   2HB   GLU  29          HB1       GLU  29  -8.761   5.471  -1.086
  230   1HG   GLU  29          HG2       GLU  29  -8.478   8.425  -1.355
  231   2HG   GLU  29          HG1       GLU  29  -7.673   7.338  -2.481
  232    H    ARG  30           HN       ARG  30  -9.726   4.313   0.707
  233    HA   ARG  30           HA       ARG  30 -12.302   4.455  -0.514
  234   1HB   ARG  30          HB2       ARG  30 -10.563   2.558  -0.613
  235   2HB   ARG  30          HB1       ARG  30 -11.190   2.067   0.952
  236   1HG   ARG  30          HG2       ARG  30 -12.945   2.377  -1.467
  237   2HG   ARG  30          HG1       ARG  30 -12.109   0.874  -1.078
  238   1HD   ARG  30          HD2       ARG  30 -13.300   0.654   0.974
  239   2HD   ARG  30          HD1       ARG  30 -13.967   2.280   0.830
  240    HE   ARG  30           HE       ARG  30 -14.671   0.080  -1.013
  241   1HH1  ARG  30          HH11      ARG  30 -15.529   2.851   0.942
  242   2HH1  ARG  30          HH12      ARG  30 -17.221   2.774   0.544
  243   1HH2  ARG  30          HH21      ARG  30 -16.877  -0.031  -1.550
  244   2HH2  ARG  30          HH22      ARG  30 -17.983   1.148  -0.900
  245    H    TYR  31           HN       TYR  31 -11.185   4.051   2.829
  246    HA   TYR  31           HA       TYR  31 -13.824   3.454   3.787
  247   1HB   TYR  31          HB2       TYR  31 -11.225   4.015   5.203
  248   2HB   TYR  31          HB1       TYR  31 -12.741   3.824   6.082
  249    HD1  TYR  31           HD1      TYR  31 -11.880   1.810   7.248
  250    HD2  TYR  31           HD2      TYR  31 -12.177   1.990   3.016
  251    HE1  TYR  31           HE1      TYR  31 -11.644  -0.646   7.126
  252    HE2  TYR  31           HE2      TYR  31 -11.959  -0.417   2.881
  253    HH   TYR  31           HH       TYR  31 -12.401  -2.482   5.288
  254    H    ASN  32           HN       ASN  32 -12.208   6.189   2.833
  255    HA   ASN  32           HA       ASN  32 -13.569   7.982   2.161
  256   1HB   ASN  32          HB2       ASN  32 -15.552   7.229   3.498
  257   2HB   ASN  32          HB1       ASN  32 -14.819   7.991   4.909
  258   1HD2  ASN  32          HD21      ASN  32 -16.187   8.526   1.761
  259   2HD2  ASN  32          HD22      ASN  32 -16.522  10.216   1.963
  260    H    MET  33           HN       MET  33 -11.652   8.894   1.982
  261    HA   MET  33           HA       MET  33 -11.082  11.017   3.781
  262   1HB   MET  33          HB2       MET  33 -10.077   9.262   5.153
  263   2HB   MET  33          HB1       MET  33  -9.144   8.687   3.781
  264   1HG   MET  33          HG2       MET  33  -7.707   9.928   5.217
  265   2HG   MET  33          HG1       MET  33  -7.955  10.856   3.741
  266   1HE   MET  33          HE1       MET  33  -6.715  12.103   6.365
  267   2HE   MET  33          HE2       MET  33  -7.573  13.642   6.452
  268   3HE   MET  33          HE3       MET  33  -7.008  13.034   4.896
  269    HA   PRO  34           HA       PRO  34  -9.514  12.276  -0.207
  270   1HB   PRO  34          HB2       PRO  34  -8.553  14.650   1.239
  271   2HB   PRO  34          HB1       PRO  34  -9.733  14.535  -0.069
  272   1HG   PRO  34          HG2       PRO  34 -10.474  15.123   2.443
  273   2HG   PRO  34          HG1       PRO  34 -11.495  14.146   1.371
  274   1HD   PRO  34          HD2       PRO  34  -9.675  13.259   3.579
  275   2HD   PRO  34          HD1       PRO  34 -11.313  12.700   3.179
  276    H    VAL  35           HN       VAL  35  -7.849  10.489   1.251
  277    HA   VAL  35           HA       VAL  35  -5.244  11.624   1.570
  278    HB   VAL  35           HB       VAL  35  -6.077   9.460   2.709
  279   1HG1  VAL  35          HG11      VAL  35  -7.006   8.387   0.723
  280   2HG1  VAL  35          HG12      VAL  35  -5.786   7.384   1.507
  281   3HG1  VAL  35          HG13      VAL  35  -5.388   8.260   0.030
  282   1HG2  VAL  35          HG21      VAL  35  -3.857   8.428   2.646
  283   2HG2  VAL  35          HG22      VAL  35  -3.744  10.184   2.780
  284   3HG2  VAL  35          HG23      VAL  35  -3.436   9.396   1.233
  285    H    ILE  36           HN       ILE  36  -3.865  12.177  -0.037
  286    HA   ILE  36           HA       ILE  36  -4.580  11.383  -2.720
  287    HB   ILE  36           HB       ILE  36  -2.432  13.274  -1.744
  288   1HG1  ILE  36          HG12      ILE  36  -5.054  13.842  -3.125
  289   2HG1  ILE  36          HG11      ILE  36  -4.814  13.966  -1.383
  290   1HG2  ILE  36          HG21      ILE  36  -1.809  12.308  -3.895
  291   2HG2  ILE  36          HG22      ILE  36  -2.270  14.001  -4.082
  292   3HG2  ILE  36          HG23      ILE  36  -3.397  12.727  -4.548
  293   1HD1  ILE  36          HD11      ILE  36  -3.150  15.715  -1.746
  294   2HD1  ILE  36          HD12      ILE  36  -4.707  16.141  -2.454
  295   3HD1  ILE  36          HD13      ILE  36  -3.391  15.583  -3.488
  296    H    ALA  37           HN       ALA  37  -4.032   9.201  -2.770
  297    HA   ALA  37           HA       ALA  37  -1.811   7.841  -2.236
  298   1HB   ALA  37          HB1       ALA  37  -3.210   7.774  -4.907
  299   2HB   ALA  37          HB2       ALA  37  -3.692   6.895  -3.456
  300   3HB   ALA  37          HB3       ALA  37  -2.167   6.510  -4.254
  301    H    GLU  38           HN       GLU  38  -2.103  10.021  -5.013
  302    HA   GLU  38           HA       GLU  38   0.430   9.543  -6.109
  303   1HB   GLU  38          HB2       GLU  38  -1.281  12.028  -6.209
  304   2HB   GLU  38          HB1       GLU  38   0.114  11.730  -7.238
  305   1HG   GLU  38          HG2       GLU  38  -0.949   9.950  -8.342
  306   2HG   GLU  38          HG1       GLU  38  -2.231   9.867  -7.136
  307    H    ALA  39           HN       ALA  39  -0.591  11.717  -3.537
  308    HA   ALA  39           HA       ALA  39   2.015  12.991  -3.446
  309   1HB   ALA  39          HB1       ALA  39   1.136  14.294  -1.599
  310   2HB   ALA  39          HB2       ALA  39  -0.314  13.288  -1.535
  311   3HB   ALA  39          HB3       ALA  39   0.000  14.300  -2.947
  312    H    VAL  40           HN       VAL  40   0.280  10.433  -1.571
  313    HA   VAL  40           HA       VAL  40   2.345   9.955   0.196
  314    HB   VAL  40           HB       VAL  40   0.574   7.936  -1.152
  315   1HG1  VAL  40          HG11      VAL  40   2.517   6.902  -0.084
  316   2HG1  VAL  40          HG12      VAL  40   1.046   6.556   0.824
  317   3HG1  VAL  40          HG13      VAL  40   2.175   7.779   1.408
  318   1HG2  VAL  40          HG21      VAL  40  -0.666   9.726  -0.048
  319   2HG2  VAL  40          HG22      VAL  40   0.266   9.475   1.429
  320   3HG2  VAL  40          HG23      VAL  40  -0.823   8.215   0.848
  321    H    GLU  41           HN       GLU  41   1.931   8.975  -3.172
  322    HA   GLU  41           HA       GLU  41   4.249   7.468  -3.526
  323   1HB   GLU  41          HB2       GLU  41   2.873   9.360  -5.446
  324   2HB   GLU  41          HB1       GLU  41   4.163   8.261  -5.907
  325   1HG   GLU  41          HG2       GLU  41   2.804   6.356  -5.425
  326   2HG   GLU  41          HG1       GLU  41   1.549   7.370  -4.713
  327    H    ARG  42           HN       ARG  42   3.786  11.021  -3.765
  328    HA   ARG  42           HA       ARG  42   6.170  11.958  -4.352
  329   1HB   ARG  42          HB2       ARG  42   4.682  12.952  -1.948
  330   2HB   ARG  42          HB1       ARG  42   5.803  13.866  -2.949
  331   1HG   ARG  42          HG2       ARG  42   3.206  12.709  -3.895
  332   2HG   ARG  42          HG1       ARG  42   3.452  14.385  -3.404
  333   1HD   ARG  42          HD2       ARG  42   4.252  14.897  -5.375
  334   2HD   ARG  42          HD1       ARG  42   5.436  13.587  -5.289
  335    HE   ARG  42           HE       ARG  42   3.865  12.157  -6.359
  336   1HH1  ARG  42          HH11      ARG  42   2.797  15.492  -6.154
  337   2HH1  ARG  42          HH12      ARG  42   1.624  15.316  -7.426
  338   1HH2  ARG  42          HH21      ARG  42   2.338  11.926  -8.018
  339   2HH2  ARG  42          HH22      ARG  42   1.363  13.293  -8.492
  340    H    GLU  43           HN       GLU  43   5.381  10.550  -1.231
  341    HA   GLU  43           HA       GLU  43   7.939  11.306  -0.089
  342   1HB   GLU  43          HB2       GLU  43   5.720   9.682   1.166
  343   2HB   GLU  43          HB1       GLU  43   7.055  10.471   1.992
  344   1HG   GLU  43          HG2       GLU  43   6.183  12.649   1.354
  345   2HG   GLU  43          HG1       GLU  43   4.851  11.872   0.501
  346    H    GLN  44           HN       GLN  44   6.502   8.532  -1.567
  347    HA   GLN  44           HA       GLN  44   8.390   6.726  -0.247
  348   1HB   GLN  44          HB2       GLN  44   6.068   6.083  -2.073
  349   2HB   GLN  44          HB1       GLN  44   7.064   4.910  -1.225
  350   1HG   GLN  44          HG2       GLN  44   5.181   6.920  -0.018
  351   2HG   GLN  44          HG1       GLN  44   5.020   5.164  -0.027
  352   1HE2  GLN  44          HE21      GLN  44   6.321   3.935   1.363
  353   2HE2  GLN  44          HE22      GLN  44   7.124   4.644   2.724
  354    HA   PRO  45           HA       PRO  45  11.177   6.865  -3.641
  355   1HB   PRO  45          HB2       PRO  45  11.912   4.102  -2.874
  356   2HB   PRO  45          HB1       PRO  45  12.914   5.554  -2.950
  357   1HG   PRO  45          HG2       PRO  45  12.173   4.508  -0.603
  358   2HG   PRO  45          HG1       PRO  45  12.282   6.263  -0.838
  359   1HD   PRO  45          HD2       PRO  45   9.862   4.500  -0.806
  360   2HD   PRO  45          HD1       PRO  45  10.091   6.111  -0.094
  361    H    GLU  46           HN       GLU  46  11.437   6.111  -5.699
  362    HA   GLU  46           HA       GLU  46   9.307   4.819  -6.993
  363   1HB   GLU  46          HB2       GLU  46  10.698   6.301  -8.248
  364   2HB   GLU  46          HB1       GLU  46  12.150   5.397  -7.840
  365   1HG   GLU  46          HG2       GLU  46  11.354   3.512  -9.175
  366   2HG   GLU  46          HG1       GLU  46   9.904   4.428  -9.598
  367    H    HIS  47           HN       HIS  47  12.048   3.625  -5.361
  368    HA   HIS  47           HA       HIS  47  12.682   1.223  -6.429
  369   1HB   HIS  47          HB2       HIS  47  13.398   2.411  -4.201
  370   2HB   HIS  47          HB1       HIS  47  12.165   1.388  -3.476
  371    HD1  HIS  47           HD1      HIS  47  15.272   1.215  -2.912
  372    HD2  HIS  47           HD2      HIS  47  13.075  -1.276  -5.423
  373    HE1  HIS  47           HE1      HIS  47  16.622  -0.900  -3.122
  374    HE2  HIS  47           HE2      HIS  47  15.360  -2.325  -4.779
  375    H    LEU  48           HN       LEU  48   9.791   1.921  -4.489
  376    HA   LEU  48           HA       LEU  48   8.735  -0.726  -5.251
  377   1HB   LEU  48          HB2       LEU  48   8.050   1.012  -2.879
  378   2HB   LEU  48          HB1       LEU  48   7.094  -0.368  -3.360
  379    HG   LEU  48           HG       LEU  48   8.405  -1.064  -1.488
  380   1HD1  LEU  48          HD11      LEU  48   9.846  -2.036  -3.980
  381   2HD1  LEU  48          HD12      LEU  48   8.288  -2.644  -3.414
  382   3HD1  LEU  48          HD13      LEU  48   9.735  -2.853  -2.419
  383   1HD2  LEU  48          HD21      LEU  48  10.009   0.704  -1.462
  384   2HD2  LEU  48          HD22      LEU  48  10.744   0.153  -2.976
  385   3HD2  LEU  48          HD23      LEU  48  10.867  -0.839  -1.523
  386    H    ARG  49           HN       ARG  49   8.588   1.312  -7.132
  387    HA   ARG  49           HA       ARG  49   6.193   2.825  -6.961
  388   1HB   ARG  49          HB2       ARG  49   8.044   3.389  -8.476
  389   2HB   ARG  49          HB1       ARG  49   7.739   1.929  -9.401
  390   1HG   ARG  49          HG2       ARG  49   5.567   2.782 -10.076
  391   2HG   ARG  49          HG1       ARG  49   5.819   4.231  -9.098
  392   1HD   ARG  49          HD2       ARG  49   7.757   4.820 -10.455
  393   2HD   ARG  49          HD1       ARG  49   7.539   3.358 -11.416
  394    HE   ARG  49           HE       ARG  49   5.171   4.907 -11.468
  395   1HH1  ARG  49          HH11      ARG  49   8.452   4.889 -12.673
  396   2HH1  ARG  49          HH12      ARG  49   8.083   5.803 -14.102
  397   1HH2  ARG  49          HH21      ARG  49   4.657   6.092 -13.372
  398   2HH2  ARG  49          HH22      ARG  49   5.919   6.461 -14.517
  399    H    SER  50           HN       SER  50   6.932  -0.029  -8.943
  400    HA   SER  50           HA       SER  50   4.284  -0.616  -9.691
  401   1HB   SER  50          HB2       SER  50   6.272  -1.597 -10.798
  402   2HB   SER  50          HB1       SER  50   6.596  -2.556  -9.355
  403    HG   SER  50           HG       SER  50   4.912  -3.832  -9.787
  404    H    TRP  51           HN       TRP  51   6.168  -1.462  -6.906
  405    HA   TRP  51           HA       TRP  51   4.373  -3.307  -5.706
  406   1HB   TRP  51          HB2       TRP  51   6.637  -3.402  -5.074
  407   2HB   TRP  51          HB1       TRP  51   6.738  -1.653  -4.828
  408    HD1  TRP  51           HD1      TRP  51   5.469  -0.846  -2.337
  409    HE1  TRP  51           HE1      TRP  51   5.560  -2.163  -0.144
  410    HE3  TRP  51           HE3      TRP  51   6.668  -5.376  -4.230
  411    HZ2  TRP  51           HZ2      TRP  51   6.138  -4.769   0.667
  412    HZ3  TRP  51           HZ3      TRP  51   7.003  -7.224  -2.721
  413    HH2  TRP  51           HH2      TRP  51   6.743  -6.963  -0.287
  414    H    PHE  52           HN       PHE  52   4.927   0.208  -5.068
  415    HA   PHE  52           HA       PHE  52   2.912   0.614  -3.249
  416   1HB   PHE  52          HB2       PHE  52   4.486   2.370  -4.208
  417   2HB   PHE  52          HB1       PHE  52   3.371   2.502  -5.564
  418    HD1  PHE  52           HD1      PHE  52   3.859   3.166  -1.996
  419    HD2  PHE  52           HD2      PHE  52   1.211   3.525  -5.306
  420    HE1  PHE  52           HE1      PHE  52   2.504   4.785  -0.735
  421    HE2  PHE  52           HE2      PHE  52  -0.147   5.145  -4.057
  422    HZ   PHE  52           HZ       PHE  52   0.491   5.733  -1.711
  423    H    ARG  53           HN       ARG  53   2.597   0.624  -6.774
  424    HA   ARG  53           HA       ARG  53  -0.172   0.834  -7.029
  425   1HB   ARG  53          HB2       ARG  53   1.965  -0.528  -8.608
  426   2HB   ARG  53          HB1       ARG  53   0.285  -0.920  -8.971
  427   1HG   ARG  53          HG2       ARG  53   1.487   1.858  -8.993
  428   2HG   ARG  53          HG1       ARG  53   1.223   0.857 -10.422
  429   1HD   ARG  53          HD2       ARG  53  -0.948   1.747  -8.529
  430   2HD   ARG  53          HD1       ARG  53  -0.544   2.566 -10.038
  431    HE   ARG  53           HE       ARG  53  -1.039  -0.153 -10.577
  432   1HH1  ARG  53          HH11      ARG  53  -2.734   2.775  -9.643
  433   2HH1  ARG  53          HH12      ARG  53  -4.253   2.269 -10.330
  434   1HH2  ARG  53          HH21      ARG  53  -3.017  -0.805 -11.501
  435   2HH2  ARG  53          HH22      ARG  53  -4.415   0.222 -11.388
  436    H    GLU  54           HN       GLU  54   1.795  -2.065  -6.856
  437    HA   GLU  54           HA       GLU  54  -0.308  -3.860  -7.003
  438   1HB   GLU  54          HB2       GLU  54   1.638  -4.865  -7.598
  439   2HB   GLU  54          HB1       GLU  54   2.586  -3.945  -6.441
  440   1HG   GLU  54          HG2       GLU  54   1.864  -5.370  -4.662
  441   2HG   GLU  54          HG1       GLU  54   0.820  -6.273  -5.764
  442    H    ARG  55           HN       ARG  55   1.156  -2.297  -4.262
  443    HA   ARG  55           HA       ARG  55  -0.060  -3.943  -2.279
  444   1HB   ARG  55          HB2       ARG  55   1.061  -1.140  -2.121
  445   2HB   ARG  55          HB1       ARG  55   0.519  -2.070  -0.732
  446   1HG   ARG  55          HG2       ARG  55   2.770  -2.830  -2.582
  447   2HG   ARG  55          HG1       ARG  55   2.946  -2.121  -0.977
  448   1HD   ARG  55          HD2       ARG  55   3.069  -4.223  -0.251
  449   2HD   ARG  55          HD1       ARG  55   1.325  -4.259  -0.487
  450    HE   ARG  55           HE       ARG  55   2.596  -4.965  -2.894
  451   1HH1  ARG  55          HH11      ARG  55   2.112  -6.143   0.351
  452   2HH1  ARG  55          HH12      ARG  55   2.166  -7.826  -0.096
  453   1HH2  ARG  55          HH21      ARG  55   2.766  -7.190  -3.511
  454   2HH2  ARG  55          HH22      ARG  55   2.543  -8.422  -2.293
  455    H    LEU  56           HN       LEU  56  -0.835  -0.826  -3.787
  456    HA   LEU  56           HA       LEU  56  -3.269  -0.338  -2.510
  457   1HB   LEU  56          HB2       LEU  56  -2.498   0.183  -5.391
  458   2HB   LEU  56          HB1       LEU  56  -3.919   0.845  -4.609
  459    HG   LEU  56           HG       LEU  56  -1.061   1.435  -3.806
  460   1HD1  LEU  56          HD11      LEU  56  -3.084   3.119  -5.284
  461   2HD1  LEU  56          HD12      LEU  56  -1.649   2.375  -5.986
  462   3HD1  LEU  56          HD13      LEU  56  -1.479   3.636  -4.766
  463   1HD2  LEU  56          HD21      LEU  56  -3.685   2.608  -2.874
  464   2HD2  LEU  56          HD22      LEU  56  -2.080   3.174  -2.413
  465   3HD2  LEU  56          HD23      LEU  56  -2.619   1.566  -1.930
  466    H    ILE  57           HN       ILE  57  -2.498  -2.283  -5.369
  467    HA   ILE  57           HA       ILE  57  -4.965  -3.175  -6.100
  468    HB   ILE  57           HB       ILE  57  -2.208  -4.202  -6.325
  469   1HG1  ILE  57          HG12      ILE  57  -2.527  -3.909  -8.618
  470   2HG1  ILE  57          HG11      ILE  57  -4.277  -3.994  -8.498
  471   1HG2  ILE  57          HG21      ILE  57  -2.890  -6.232  -7.457
  472   2HG2  ILE  57          HG22      ILE  57  -4.578  -5.895  -7.075
  473   3HG2  ILE  57          HG23      ILE  57  -3.429  -6.230  -5.780
  474   1HD1  ILE  57          HD11      ILE  57  -3.526  -1.752  -9.028
  475   2HD1  ILE  57          HD12      ILE  57  -2.527  -1.723  -7.574
  476   3HD1  ILE  57          HD13      ILE  57  -4.285  -1.789  -7.437
  477    H    ALA  58           HN       ALA  58  -2.737  -4.800  -3.834
  478    HA   ALA  58           HA       ALA  58  -4.647  -6.865  -3.277
  479   1HB   ALA  58          HB1       ALA  58  -2.000  -6.274  -1.958
  480   2HB   ALA  58          HB2       ALA  58  -2.255  -7.342  -3.339
  481   3HB   ALA  58          HB3       ALA  58  -2.945  -7.751  -1.767
  482    H    HIS  59           HN       HIS  59  -3.749  -3.871  -1.735
  483    HA   HIS  59           HA       HIS  59  -5.001  -4.590   0.753
  484   1HB   HIS  59          HB2       HIS  59  -3.761  -2.041  -0.243
  485   2HB   HIS  59          HB1       HIS  59  -4.695  -2.079   1.248
  486    HD1  HIS  59           HD1      HIS  59  -3.751  -4.092   2.990
  487    HD2  HIS  59           HD2      HIS  59  -1.121  -2.518   0.176
  488    HE1  HIS  59           HE1      HIS  59  -1.452  -4.628   3.835
  489    HE2  HIS  59           HE2      HIS  59   0.127  -3.536   2.216
  490    H    ARG  60           HN       ARG  60  -5.949  -2.970  -2.200
  491    HA   ARG  60           HA       ARG  60  -8.429  -2.013  -1.170
  492   1HB   ARG  60          HB2       ARG  60  -7.407  -2.512  -3.951
  493   2HB   ARG  60          HB1       ARG  60  -9.097  -2.103  -3.677
  494   1HG   ARG  60          HG2       ARG  60  -8.387  -0.044  -2.533
  495   2HG   ARG  60          HG1       ARG  60  -6.708  -0.447  -2.892
  496   1HD   ARG  60          HD2       ARG  60  -7.111  -0.277  -5.250
  497   2HD   ARG  60          HD1       ARG  60  -8.844  -0.079  -4.986
  498    HE   ARG  60           HE       ARG  60  -7.376   1.934  -3.626
  499   1HH1  ARG  60          HH11      ARG  60  -8.431   1.018  -6.857
  500   2HH1  ARG  60          HH12      ARG  60  -8.488   2.669  -7.420
  501   1HH2  ARG  60          HH21      ARG  60  -7.471   4.056  -4.363
  502   2HH2  ARG  60          HH22      ARG  60  -7.955   4.395  -5.998
  503    H    LEU  61           HN       LEU  61  -7.559  -4.931  -3.071
  504    HA   LEU  61           HA       LEU  61 -10.092  -6.113  -2.865
  505   1HB   LEU  61          HB2       LEU  61  -9.091  -8.179  -3.490
  506   2HB   LEU  61          HB1       LEU  61  -8.243  -6.913  -4.348
  507    HG   LEU  61           HG       LEU  61  -6.512  -7.138  -2.389
  508   1HD1  LEU  61          HD11      LEU  61  -7.830  -9.849  -2.374
  509   2HD1  LEU  61          HD12      LEU  61  -7.807  -8.696  -1.040
  510   3HD1  LEU  61          HD13      LEU  61  -6.305  -9.440  -1.589
  511   1HD2  LEU  61          HD21      LEU  61  -6.779  -9.155  -4.613
  512   2HD2  LEU  61          HD22      LEU  61  -5.298  -8.791  -3.727
  513   3HD2  LEU  61          HD23      LEU  61  -6.048  -7.555  -4.737
  514    H    ALA  62           HN       ALA  62  -7.436  -5.893  -0.608
  515    HA   ALA  62           HA       ALA  62  -8.554  -7.693   1.311
  516   1HB   ALA  62          HB1       ALA  62  -6.505  -5.524   1.703
  517   2HB   ALA  62          HB2       ALA  62  -6.169  -7.196   1.253
  518   3HB   ALA  62          HB3       ALA  62  -6.870  -6.830   2.830
  519    H    SER  63           HN       SER  63  -8.994  -4.269   0.658
  520    HA   SER  63           HA       SER  63 -10.099  -3.690   3.225
  521   1HB   SER  63          HB2       SER  63 -10.741  -1.531   2.281
  522   2HB   SER  63          HB1       SER  63  -9.082  -1.925   1.856
  523    HG   SER  63           HG       SER  63 -10.357  -2.870  -0.130
  524    H    VAL  64           HN       VAL  64 -11.367  -4.959   0.261
  525    HA   VAL  64           HA       VAL  64 -14.140  -4.694   1.127
  526    HB   VAL  64           HB       VAL  64 -13.464  -6.808  -0.811
  527   1HG1  VAL  64          HG11      VAL  64 -15.765  -6.235  -0.310
  528   2HG1  VAL  64          HG12      VAL  64 -15.389  -5.903  -2.001
  529   3HG1  VAL  64          HG13      VAL  64 -15.481  -4.577  -0.841
  530   1HG2  VAL  64          HG21      VAL  64 -11.821  -5.201  -1.485
  531   2HG2  VAL  64          HG22      VAL  64 -13.024  -3.908  -1.474
  532   3HG2  VAL  64          HG23      VAL  64 -13.137  -5.209  -2.661
  533    H    ASN  65           HN       ASN  65 -11.817  -7.243   0.745
  534    HA   ASN  65           HA       ASN  65 -13.018  -9.394   1.923
  535   1HB   ASN  65          HB2       ASN  65 -10.875  -9.512   0.801
  536   2HB   ASN  65          HB1       ASN  65 -10.122  -8.564   2.077
  537   1HD2  ASN  65          HD21      ASN  65  -9.541  -9.547   3.983
  538   2HD2  ASN  65          HD22      ASN  65  -9.606 -11.260   4.219
  539    H    LEU  66           HN       LEU  66 -10.919  -7.091   3.680
  540    HA   LEU  66           HA       LEU  66 -11.482  -8.349   6.209
  541   1HB   LEU  66          HB2       LEU  66  -9.351  -7.036   5.232
  542   2HB   LEU  66          HB1       LEU  66 -10.148  -5.702   6.039
  543    HG   LEU  66           HG       LEU  66  -8.434  -7.688   7.139
  544   1HD1  LEU  66          HD11      LEU  66  -8.164  -5.433   7.694
  545   2HD1  LEU  66          HD12      LEU  66  -8.750  -6.200   9.171
  546   3HD1  LEU  66          HD13      LEU  66  -9.852  -5.246   8.169
  547   1HD2  LEU  66          HD21      LEU  66 -11.184  -7.649   8.384
  548   2HD2  LEU  66          HD22      LEU  66  -9.739  -8.364   9.105
  549   3HD2  LEU  66          HD23      LEU  66 -10.403  -9.029   7.612
  550    H    SER  67           HN       SER  67 -11.339  -6.080   7.794
  551    HA   SER  67           HA       SER  67 -12.553  -4.690   9.008
  552   1HB   SER  67          HB2       SER  67 -13.583  -2.804   7.823
  553   2HB   SER  67          HB1       SER  67 -11.964  -3.190   7.235
  554    HG   SER  67           HG       SER  67 -13.430  -4.571   5.672
  555    H    ARG  68           HN       ARG  68 -15.153  -4.186   6.847
  556    HA   ARG  68           HA       ARG  68 -16.971  -6.066   8.016
  557   1HB   ARG  68          HB2       ARG  68 -16.536  -4.377   9.878
  558   2HB   ARG  68          HB1       ARG  68 -17.258  -3.159   8.841
  559   1HG   ARG  68          HG2       ARG  68 -19.379  -4.306   8.900
  560   2HG   ARG  68          HG1       ARG  68 -18.670  -5.631   9.826
  561   1HD   ARG  68          HD2       ARG  68 -18.786  -2.764  10.761
  562   2HD   ARG  68          HD1       ARG  68 -19.966  -3.998  11.200
  563    HE   ARG  68           HE       ARG  68 -18.178  -5.188  12.338
  564   1HH1  ARG  68          HH11      ARG  68 -17.596  -1.824  11.523
  565   2HH1  ARG  68          HH12      ARG  68 -16.320  -1.634  12.696
  566   1HH2  ARG  68          HH21      ARG  68 -16.550  -4.911  13.921
  567   2HH2  ARG  68          HH22      ARG  68 -15.748  -3.379  14.074
  568    H    LEU  69           HN       LEU  69 -19.380  -4.981   7.432
  569    HA   LEU  69           HA       LEU  69 -19.018  -3.874   4.729
  570   1HB   LEU  69          HB2       LEU  69 -21.131  -5.697   5.830
  571   2HB   LEU  69          HB1       LEU  69 -21.441  -4.724   4.406
  572    HG   LEU  69           HG       LEU  69 -19.379  -5.826   3.380
  573   1HD1  LEU  69          HD11      LEU  69 -19.807  -7.721   5.687
  574   2HD1  LEU  69          HD12      LEU  69 -18.392  -6.702   5.420
  575   3HD1  LEU  69          HD13      LEU  69 -18.761  -8.010   4.297
  576   1HD2  LEU  69          HD21      LEU  69 -21.648  -6.376   2.707
  577   2HD2  LEU  69          HD22      LEU  69 -21.789  -7.516   4.044
  578   3HD2  LEU  69          HD23      LEU  69 -20.645  -7.826   2.738
  579    HA   PRO  70           HA       PRO  70 -21.410  -0.495   6.597
  580   1HB   PRO  70          HB2       PRO  70 -19.523   1.444   6.437
  581   2HB   PRO  70          HB1       PRO  70 -19.663   0.373   7.835
  582   1HG   PRO  70          HG2       PRO  70 -17.599   0.465   5.773
  583   2HG   PRO  70          HG1       PRO  70 -17.574  -0.353   7.343
  584   1HD   PRO  70          HD2       PRO  70 -18.109  -1.462   4.708
  585   2HD   PRO  70          HD1       PRO  70 -17.866  -2.312   6.246
  586    H    TYR  71           HN       TYR  71 -21.067  -1.624   3.947
  587    HA   TYR  71           HA       TYR  71 -20.827   0.767   2.269
  588   1HB   TYR  71          HB2       TYR  71 -20.462  -2.132   1.506
  589   2HB   TYR  71          HB1       TYR  71 -20.276  -0.743   0.434
  590    HD1  TYR  71           HD1      TYR  71 -19.133   0.931   2.830
  591    HD2  TYR  71           HD2      TYR  71 -18.074  -2.777   1.044
  592    HE1  TYR  71           HE1      TYR  71 -16.858   1.258   3.554
  593    HE2  TYR  71           HE2      TYR  71 -15.749  -2.467   1.791
  594    HH   TYR  71           HH       TYR  71 -14.261  -0.881   2.555
  595    H    GLU  72           HN       GLU  72 -22.238  -2.324   1.413
  596    HA   GLU  72           HA       GLU  72 -24.898  -1.247   1.409
  597   1HB   GLU  72          HB2       GLU  72 -23.699  -2.790  -0.903
  598   2HB   GLU  72          HB1       GLU  72 -25.372  -2.274  -0.785
  599   1HG   GLU  72          HG2       GLU  72 -23.069  -0.345  -0.835
  600   2HG   GLU  72          HG1       GLU  72 -23.882  -0.918  -2.290
  601    HA   PRO  73           HA       PRO  73 -24.090  -5.202   3.532
  602   1HB   PRO  73          HB2       PRO  73 -26.228  -4.421   5.376
  603   2HB   PRO  73          HB1       PRO  73 -24.528  -4.759   5.708
  604   1HG   PRO  73          HG2       PRO  73 -25.560  -2.263   5.836
  605   2HG   PRO  73          HG1       PRO  73 -23.886  -2.580   5.345
  606   1HD   PRO  73          HD2       PRO  73 -26.277  -1.968   3.650
  607   2HD   PRO  73          HD1       PRO  73 -24.603  -1.388   3.493
  608    H    LYS  74           HN       LYS  74 -27.497  -4.367   4.103
  609    HA   LYS  74           HA       LYS  74 -28.237  -6.785   2.588
  610   1HB   LYS  74          HB2       LYS  74 -29.261  -5.690   5.178
  611   2HB   LYS  74          HB1       LYS  74 -30.356  -6.593   4.144
  612   1HG   LYS  74          HG2       LYS  74 -29.433  -8.053   5.794
  613   2HG   LYS  74          HG1       LYS  74 -28.794  -8.497   4.212
  614   1HD   LYS  74          HD2       LYS  74 -26.714  -7.320   4.712
  615   2HD   LYS  74          HD1       LYS  74 -27.358  -6.836   6.283
  616   1HE   LYS  74          HE2       LYS  74 -27.458  -9.121   7.011
  617   2HE   LYS  74          HE1       LYS  74 -27.015  -9.698   5.404
  618   1HZ   LYS  74          HZ1       LYS  74 -25.263  -8.004   7.104
  619   2HZ   LYS  74          HZ2       LYS  74 -24.851  -8.757   5.642
  620   3HZ   LYS  74          HZ3       LYS  74 -25.163  -9.694   7.020
  621    H    LEU  75           HN       LEU  75 -28.602  -5.704   0.648
  622    HA   LEU  75           HA       LEU  75 -30.169  -3.477   0.315
  623   1HB   LEU  75          HB2       LEU  75 -29.621  -5.770  -1.541
  624   2HB   LEU  75          HB1       LEU  75 -30.563  -4.374  -2.019
  625    HG   LEU  75           HG       LEU  75 -28.520  -2.967  -1.430
  626   1HD1  LEU  75          HD11      LEU  75 -27.186  -5.668  -1.513
  627   2HD1  LEU  75          HD12      LEU  75 -27.314  -4.609  -0.107
  628   3HD1  LEU  75          HD13      LEU  75 -26.362  -4.109  -1.504
  629   1HD2  LEU  75          HD21      LEU  75 -29.206  -3.397  -3.713
  630   2HD2  LEU  75          HD22      LEU  75 -28.360  -4.944  -3.699
  631   3HD2  LEU  75          HD23      LEU  75 -27.448  -3.438  -3.582
  632    H    LYS  76           HN       LYS  76 -32.327  -3.144   0.203
  633    HA   LYS  76           HA       LYS  76 -33.999  -5.469   0.862
  634   1HB   LYS  76          HB2       LYS  76 -35.676  -3.694   1.571
  635   2HB   LYS  76          HB1       LYS  76 -34.225  -3.838   2.552
  636   1HG   LYS  76          HG2       LYS  76 -33.317  -1.852   1.713
  637   2HG   LYS  76          HG1       LYS  76 -34.427  -1.824   0.341
  638   1HD   LYS  76          HD2       LYS  76 -35.157  -1.416   3.240
  639   2HD   LYS  76          HD1       LYS  76 -35.074  -0.167   1.993
  640   1HE   LYS  76          HE2       LYS  76 -36.986  -2.495   2.134
  641   2HE   LYS  76          HE1       LYS  76 -37.374  -0.781   2.285
  642   1HZ   LYS  76          HZ1       LYS  76 -37.938  -1.599   0.099
  643   2HZ   LYS  76          HZ2       LYS  76 -36.346  -2.129  -0.158
  644   3HZ   LYS  76          HZ3       LYS  76 -36.675  -0.471  -0.019
  Start of MODEL    3
    1   1H    MET   1           HT1      MET   1  20.603 -19.218  13.789
    2   2H    MET   1           HT2      MET   1  19.136 -18.369  13.880
    3   3H    MET   1           HT3      MET   1  20.552 -17.564  13.419
    4    HA   MET   1           HA       MET   1  20.700 -18.888  11.422
    5   1HB   MET   1          HB2       MET   1  18.057 -20.011  12.377
    6   2HB   MET   1          HB1       MET   1  18.730 -20.265  10.774
    7   1HG   MET   1          HG2       MET   1  20.685 -21.363  11.823
    8   2HG   MET   1          HG1       MET   1  19.890 -21.198  13.387
    9   1HE   MET   1          HE1       MET   1  18.251 -23.774   9.923
   10   2HE   MET   1          HE2       MET   1  19.785 -22.909   9.851
   11   3HE   MET   1          HE3       MET   1  18.267 -22.010   9.896
   12    H    LEU   2           HN       LEU   2  20.020 -17.883   9.597
   13    HA   LEU   2           HA       LEU   2  19.110 -16.291   8.278
   14   1HB   LEU   2          HB2       LEU   2  16.783 -16.749  10.124
   15   2HB   LEU   2          HB1       LEU   2  16.726 -15.497   8.899
   16    HG   LEU   2           HG       LEU   2  15.609 -17.421   8.039
   17   1HD1  LEU   2          HD11      LEU   2  16.925 -16.225   6.411
   18   2HD1  LEU   2          HD12      LEU   2  16.967 -17.952   6.056
   19   3HD1  LEU   2          HD13      LEU   2  18.352 -17.176   6.822
   20   1HD2  LEU   2          HD21      LEU   2  18.104 -18.996   8.647
   21   2HD2  LEU   2          HD22      LEU   2  16.667 -19.605   7.827
   22   3HD2  LEU   2          HD23      LEU   2  16.574 -19.105   9.516
   23    H    LYS   3           HN       LYS   3  17.777 -14.019   8.591
   24    HA   LYS   3           HA       LYS   3  18.038 -11.838   9.127
   25   1HB   LYS   3          HB2       LYS   3  18.671 -12.892  11.893
   26   2HB   LYS   3          HB1       LYS   3  18.174 -11.254  11.492
   27   1HG   LYS   3          HG2       LYS   3  16.491 -13.720  11.083
   28   2HG   LYS   3          HG1       LYS   3  16.350 -12.601  12.439
   29   1HD   LYS   3          HD2       LYS   3  16.068 -11.746   9.565
   30   2HD   LYS   3          HD1       LYS   3  14.702 -12.268  10.549
   31   1HE   LYS   3          HE2       LYS   3  16.553 -10.001  11.272
   32   2HE   LYS   3          HE1       LYS   3  15.008  -9.799  10.447
   33   1HZ   LYS   3          HZ1       LYS   3  15.375 -10.991  13.150
   34   2HZ   LYS   3          HZ2       LYS   3  13.894 -10.775  12.352
   35   3HZ   LYS   3          HZ3       LYS   3  14.801  -9.428  12.825
   36    H    ASN   4           HN       ASN   4  19.883 -11.702   7.755
   37    HA   ASN   4           HA       ASN   4  22.474 -11.617   9.163
   38   1HB   ASN   4          HB2       ASN   4  21.935 -12.352   6.273
   39   2HB   ASN   4          HB1       ASN   4  23.530 -12.203   6.999
   40   1HD2  ASN   4          HD21      ASN   4  22.152 -14.465   5.724
   41   2HD2  ASN   4          HD22      ASN   4  22.182 -15.754   6.883
   42    H    LEU   5           HN       LEU   5  23.997 -10.044   8.413
   43    HA   LEU   5           HA       LEU   5  22.858  -7.517   7.780
   44   1HB   LEU   5          HB2       LEU   5  24.924  -7.814   9.118
   45   2HB   LEU   5          HB1       LEU   5  25.747  -8.404   7.690
   46    HG   LEU   5           HG       LEU   5  24.548  -5.657   7.650
   47   1HD1  LEU   5          HD11      LEU   5  27.207  -6.391   8.871
   48   2HD1  LEU   5          HD12      LEU   5  25.811  -5.737   9.729
   49   3HD1  LEU   5          HD13      LEU   5  26.651  -4.753   8.528
   50   1HD2  LEU   5          HD21      LEU   5  27.027  -6.851   6.400
   51   2HD2  LEU   5          HD22      LEU   5  26.411  -5.220   6.140
   52   3HD2  LEU   5          HD23      LEU   5  25.480  -6.611   5.584
   53    H    ALA   6           HN       ALA   6  22.513  -6.582   5.861
   54    HA   ALA   6           HA       ALA   6  23.500  -7.987   3.464
   55   1HB   ALA   6          HB1       ALA   6  21.477  -7.258   2.318
   56   2HB   ALA   6          HB2       ALA   6  20.933  -6.437   3.780
   57   3HB   ALA   6          HB3       ALA   6  21.078  -8.194   3.759
   58    H    LYS   7           HN       LYS   7  23.779  -6.559   1.538
   59    HA   LYS   7           HA       LYS   7  25.279  -4.236   2.366
   60   1HB   LYS   7          HB2       LYS   7  24.795  -5.213  -0.448
   61   2HB   LYS   7          HB1       LYS   7  26.049  -4.107   0.088
   62   1HG   LYS   7          HG2       LYS   7  26.978  -5.987   1.467
   63   2HG   LYS   7          HG1       LYS   7  25.828  -7.051   0.654
   64   1HD   LYS   7          HD2       LYS   7  28.044  -5.440  -0.608
   65   2HD   LYS   7          HD1       LYS   7  27.927  -7.197  -0.497
   66   1HE   LYS   7          HE2       LYS   7  26.028  -7.210  -1.982
   67   2HE   LYS   7          HE1       LYS   7  25.984  -5.447  -1.998
   68   1HZ   LYS   7          HZ1       LYS   7  28.068  -7.213  -3.158
   69   2HZ   LYS   7          HZ2       LYS   7  28.268  -5.538  -2.979
   70   3HZ   LYS   7          HZ3       LYS   7  27.039  -6.142  -3.983
   71    H    LEU   8           HN       LEU   8  23.293  -4.382  -0.557
   72    HA   LEU   8           HA       LEU   8  22.186  -1.757   0.163
   73   1HB   LEU   8          HB2       LEU   8  22.349  -3.200  -2.491
   74   2HB   LEU   8          HB1       LEU   8  21.497  -1.688  -2.261
   75    HG   LEU   8           HG       LEU   8  23.556  -1.107  -3.220
   76   1HD1  LEU   8          HD11      LEU   8  23.833  -0.701  -0.251
   77   2HD1  LEU   8          HD12      LEU   8  22.951   0.334  -1.375
   78   3HD1  LEU   8          HD13      LEU   8  24.704   0.187  -1.500
   79   1HD2  LEU   8          HD21      LEU   8  24.921  -2.864  -1.190
   80   2HD2  LEU   8          HD22      LEU   8  25.729  -1.855  -2.391
   81   3HD2  LEU   8          HD23      LEU   8  24.724  -3.209  -2.909
   82    H    ASP   9           HN       ASP   9  21.385  -4.602   0.956
   83    HA   ASP   9           HA       ASP   9  18.698  -4.779  -0.130
   84   1HB   ASP   9          HB2       ASP   9  20.136  -6.657   1.736
   85   2HB   ASP   9          HB1       ASP   9  18.574  -6.948   0.979
   86    H    GLN  10           HN       GLN  10  19.258  -2.578   1.491
   87    HA   GLN  10           HA       GLN  10  17.709  -3.192   3.859
   88   1HB   GLN  10          HB2       GLN  10  19.634  -1.703   4.171
   89   2HB   GLN  10          HB1       GLN  10  18.993  -0.600   2.964
   90   1HG   GLN  10          HG2       GLN  10  17.150  -0.024   4.383
   91   2HG   GLN  10          HG1       GLN  10  17.618  -1.249   5.560
   92   1HE2  GLN  10          HE21      GLN  10  17.746   0.322   7.174
   93   2HE2  GLN  10          HE22      GLN  10  19.074   1.427   7.268
   94    H    THR  11           HN       THR  11  17.013  -3.082   0.907
   95    HA   THR  11           HA       THR  11  14.934  -1.032   0.787
   96    HB   THR  11           HB       THR  11  15.829  -3.044  -1.311
   97    HG1  THR  11           HG1      THR  11  17.006  -0.812  -0.386
   98   1HG2  THR  11          HG21      THR  11  14.214  -0.505  -1.620
   99   2HG2  THR  11          HG22      THR  11  13.556  -2.139  -1.689
  100   3HG2  THR  11          HG23      THR  11  14.705  -1.598  -2.914
  101    H    GLU  12           HN       GLU  12  15.258  -4.166   1.913
  102    HA   GLU  12           HA       GLU  12  12.596  -4.963   1.424
  103   1HB   GLU  12          HB2       GLU  12  12.992  -6.588   3.215
  104   2HB   GLU  12          HB1       GLU  12  14.280  -6.582   2.021
  105   1HG   GLU  12          HG2       GLU  12  15.700  -5.307   3.505
  106   2HG   GLU  12          HG1       GLU  12  14.401  -5.213   4.697
  107    H    MET  13           HN       MET  13  14.160  -2.837   3.468
  108    HA   MET  13           HA       MET  13  12.007  -2.499   5.348
  109   1HB   MET  13          HB2       MET  13  14.449  -0.781   4.816
  110   2HB   MET  13          HB1       MET  13  13.306  -0.530   6.127
  111   1HG   MET  13          HG2       MET  13  15.050  -2.958   5.763
  112   2HG   MET  13          HG1       MET  13  15.357  -1.626   6.875
  113   1HE   MET  13          HE1       MET  13  13.835  -1.074   8.977
  114   2HE   MET  13          HE2       MET  13  12.377  -1.973   9.399
  115   3HE   MET  13          HE3       MET  13  12.412  -0.982   7.938
  116    H    ASP  14           HN       ASP  14  13.419  -0.951   2.502
  117    HA   ASP  14           HA       ASP  14  11.625   0.993   2.074
  118   1HB   ASP  14          HB2       ASP  14  13.018  -0.783   0.121
  119   2HB   ASP  14          HB1       ASP  14  11.995   0.546  -0.405
  120    H    LYS  15           HN       LYS  15  11.302  -2.369   0.973
  121    HA   LYS  15           HA       LYS  15   8.805  -2.322  -0.199
  122   1HB   LYS  15          HB2       LYS  15  10.517  -4.378   1.054
  123   2HB   LYS  15          HB1       LYS  15   8.809  -4.776   0.982
  124   1HG   LYS  15          HG2       LYS  15   9.459  -5.652  -0.998
  125   2HG   LYS  15          HG1       LYS  15   9.115  -4.010  -1.536
  126   1HD   LYS  15          HD2       LYS  15  11.186  -4.562  -2.488
  127   2HD   LYS  15          HD1       LYS  15  11.570  -3.524  -1.115
  128   1HE   LYS  15          HE2       LYS  15  13.098  -5.386  -1.144
  129   2HE   LYS  15          HE1       LYS  15  12.016  -5.549   0.237
  130   1HZ   LYS  15          HZ1       LYS  15  12.366  -7.643  -0.963
  131   2HZ   LYS  15          HZ2       LYS  15  11.674  -6.959  -2.355
  132   3HZ   LYS  15          HZ3       LYS  15  10.734  -7.178  -0.959
  133    H    VAL  16           HN       VAL  16   9.491  -3.165   3.252
  134    HA   VAL  16           HA       VAL  16   6.803  -3.558   3.872
  135    HB   VAL  16           HB       VAL  16   7.565  -3.228   6.227
  136   1HG1  VAL  16          HG11      VAL  16   8.888  -5.304   6.270
  137   2HG1  VAL  16          HG12      VAL  16   9.063  -5.188   4.520
  138   3HG1  VAL  16          HG13      VAL  16   7.467  -5.428   5.233
  139   1HG2  VAL  16          HG21      VAL  16   9.395  -1.705   5.890
  140   2HG2  VAL  16          HG22      VAL  16  10.248  -2.926   4.947
  141   3HG2  VAL  16          HG23      VAL  16   9.966  -3.182   6.668
  142    H    ASN  17           HN       ASN  17   8.834  -0.698   4.020
  143    HA   ASN  17           HA       ASN  17   6.959   1.006   5.246
  144   1HB   ASN  17          HB2       ASN  17   9.416   1.430   3.623
  145   2HB   ASN  17          HB1       ASN  17   8.312   2.789   3.791
  146   1HD2  ASN  17          HD21      ASN  17  10.558   0.705   5.399
  147   2HD2  ASN  17          HD22      ASN  17  10.636   1.593   6.886
  148    H    VAL  18           HN       VAL  18   7.631   0.485   1.722
  149    HA   VAL  18           HA       VAL  18   5.660   2.284   0.933
  150    HB   VAL  18           HB       VAL  18   6.893   0.050  -0.610
  151   1HG1  VAL  18          HG11      VAL  18   4.745   0.733  -1.585
  152   2HG1  VAL  18          HG12      VAL  18   6.094   1.259  -2.590
  153   3HG1  VAL  18          HG13      VAL  18   5.268   2.419  -1.552
  154   1HG2  VAL  18          HG21      VAL  18   8.458   1.741   0.222
  155   2HG2  VAL  18          HG22      VAL  18   7.461   3.012  -0.487
  156   3HG2  VAL  18          HG23      VAL  18   8.278   1.846  -1.529
  157    H    ASP  19           HN       ASP  19   5.553  -1.118   1.711
  158    HA   ASP  19           HA       ASP  19   2.913  -1.616   0.772
  159   1HB   ASP  19          HB2       ASP  19   4.231  -3.536   1.179
  160   2HB   ASP  19          HB1       ASP  19   4.687  -2.985   2.787
  161    H    LEU  20           HN       LEU  20   4.246  -0.644   3.895
  162    HA   LEU  20           HA       LEU  20   1.864  -0.648   5.363
  163   1HB   LEU  20          HB2       LEU  20   4.170  -0.463   6.302
  164   2HB   LEU  20          HB1       LEU  20   4.245   1.185   5.715
  165    HG   LEU  20           HG       LEU  20   2.080   0.377   7.635
  166   1HD1  LEU  20          HD11      LEU  20   4.896   1.189   8.352
  167   2HD1  LEU  20          HD12      LEU  20   4.164  -0.391   8.640
  168   3HD1  LEU  20          HD13      LEU  20   3.551   1.034   9.481
  169   1HD2  LEU  20          HD21      LEU  20   2.297   2.738   8.310
  170   2HD2  LEU  20          HD22      LEU  20   1.903   2.569   6.600
  171   3HD2  LEU  20          HD23      LEU  20   3.552   2.957   7.090
  172    H    ALA  21           HN       ALA  21   3.472   2.012   3.609
  173    HA   ALA  21           HA       ALA  21   1.504   3.937   4.133
  174   1HB   ALA  21          HB1       ALA  21   3.763   4.465   3.367
  175   2HB   ALA  21          HB2       ALA  21   2.534   5.197   2.335
  176   3HB   ALA  21          HB3       ALA  21   3.391   3.752   1.798
  177    H    ALA  22           HN       ALA  22   1.960   1.729   1.383
  178    HA   ALA  22           HA       ALA  22  -0.193   2.616  -0.174
  179   1HB   ALA  22          HB1       ALA  22   1.553   1.129  -1.028
  180   2HB   ALA  22          HB2       ALA  22  -0.055   0.459  -1.302
  181   3HB   ALA  22          HB3       ALA  22   0.950  -0.171   0.003
  182    H    ALA  23           HN       ALA  23  -0.073   0.593   2.650
  183    HA   ALA  23           HA       ALA  23  -2.685  -0.564   2.322
  184   1HB   ALA  23          HB1       ALA  23  -2.368  -1.394   4.571
  185   2HB   ALA  23          HB2       ALA  23  -1.012  -0.294   4.821
  186   3HB   ALA  23          HB3       ALA  23  -0.871  -1.625   3.666
  187    H    GLY  24           HN       GLY  24  -1.171   2.118   3.924
  188   1HA   GLY  24          HA2       GLY  24  -3.375   2.798   5.562
  189   2HA   GLY  24          HA1       GLY  24  -1.956   3.780   5.228
  190    H    VAL  25           HN       VAL  25  -2.001   4.191   2.594
  191    HA   VAL  25           HA       VAL  25  -3.990   6.156   2.286
  192    HB   VAL  25           HB       VAL  25  -3.205   6.347  -0.069
  193   1HG1  VAL  25          HG11      VAL  25  -1.051   6.226   2.037
  194   2HG1  VAL  25          HG12      VAL  25  -2.076   7.609   1.654
  195   3HG1  VAL  25          HG13      VAL  25  -0.884   7.041   0.478
  196   1HG2  VAL  25          HG21      VAL  25  -1.281   5.021  -0.799
  197   2HG2  VAL  25          HG22      VAL  25  -2.699   4.013  -0.513
  198   3HG2  VAL  25          HG23      VAL  25  -1.394   4.054   0.672
  199    H    ALA  26           HN       ALA  26  -3.637   2.946   0.741
  200    HA   ALA  26           HA       ALA  26  -5.868   2.879  -0.821
  201   1HB   ALA  26          HB1       ALA  26  -5.879   0.468  -0.613
  202   2HB   ALA  26          HB2       ALA  26  -4.892   0.569   0.844
  203   3HB   ALA  26          HB3       ALA  26  -4.224   1.069  -0.710
  204    H    PHE  27           HN       PHE  27  -5.845   1.883   2.632
  205    HA   PHE  27           HA       PHE  27  -8.615   1.342   2.702
  206   1HB   PHE  27          HB2       PHE  27  -6.536   1.850   4.799
  207   2HB   PHE  27          HB1       PHE  27  -8.234   1.785   5.261
  208    HD1  PHE  27           HD1      PHE  27  -5.857  -0.177   3.144
  209    HD2  PHE  27           HD2      PHE  27  -8.999  -0.218   6.007
  210    HE1  PHE  27           HE1      PHE  27  -5.760  -2.631   3.207
  211    HE2  PHE  27           HE2      PHE  27  -8.912  -2.675   6.076
  212    HZ   PHE  27           HZ       PHE  27  -7.290  -3.886   4.675
  213    H    LYS  28           HN       LYS  28  -6.815   4.164   3.837
  214    HA   LYS  28           HA       LYS  28  -8.811   5.847   4.586
  215   1HB   LYS  28          HB2       LYS  28  -6.160   6.267   3.377
  216   2HB   LYS  28          HB1       LYS  28  -7.247   7.650   3.402
  217   1HG   LYS  28          HG2       LYS  28  -5.702   7.510   5.351
  218   2HG   LYS  28          HG1       LYS  28  -7.410   7.575   5.785
  219   1HD   LYS  28          HD2       LYS  28  -7.414   5.147   6.115
  220   2HD   LYS  28          HD1       LYS  28  -5.710   5.082   5.666
  221   1HE   LYS  28          HE2       LYS  28  -6.859   6.555   8.033
  222   2HE   LYS  28          HE1       LYS  28  -6.023   5.006   8.095
  223   1HZ   LYS  28          HZ1       LYS  28  -4.447   6.620   8.668
  224   2HZ   LYS  28          HZ2       LYS  28  -4.898   7.661   7.411
  225   3HZ   LYS  28          HZ3       LYS  28  -4.078   6.215   7.064
  226    H    GLU  29           HN       GLU  29  -7.572   5.817   1.226
  227    HA   GLU  29           HA       GLU  29  -9.476   7.599   0.227
  228   1HB   GLU  29          HB2       GLU  29  -9.004   6.501  -2.028
  229   2HB   GLU  29          HB1       GLU  29  -7.623   7.182  -1.181
  230   1HG   GLU  29          HG2       GLU  29  -6.782   5.088  -0.615
  231   2HG   GLU  29          HG1       GLU  29  -8.317   4.282  -0.929
  232    H    ARG  30           HN       ARG  30  -9.507   4.029   0.107
  233    HA   ARG  30           HA       ARG  30 -11.831   3.669  -1.340
  234   1HB   ARG  30          HB2       ARG  30 -10.672   1.954   0.854
  235   2HB   ARG  30          HB1       ARG  30 -12.026   1.455  -0.142
  236   1HG   ARG  30          HG2       ARG  30  -9.219   2.021  -1.062
  237   2HG   ARG  30          HG1       ARG  30 -10.005   0.447  -0.947
  238   1HD   ARG  30          HD2       ARG  30 -10.288   0.846  -3.167
  239   2HD   ARG  30          HD1       ARG  30 -11.754   1.604  -2.548
  240    HE   ARG  30           HE       ARG  30  -9.310   3.183  -3.053
  241   1HH1  ARG  30          HH11      ARG  30 -12.699   2.559  -3.705
  242   2HH1  ARG  30          HH12      ARG  30 -12.952   4.096  -4.478
  243   1HH2  ARG  30          HH21      ARG  30  -9.621   5.137  -4.094
  244   2HH2  ARG  30          HH22      ARG  30 -11.185   5.567  -4.719
  245    H    TYR  31           HN       TYR  31 -11.506   3.806   2.196
  246    HA   TYR  31           HA       TYR  31 -14.175   3.170   2.725
  247   1HB   TYR  31          HB2       TYR  31 -11.965   4.344   4.323
  248   2HB   TYR  31          HB1       TYR  31 -13.609   4.455   4.959
  249    HD1  TYR  31           HD1      TYR  31 -14.998   2.240   4.799
  250    HD2  TYR  31           HD2      TYR  31 -10.752   2.410   4.797
  251    HE1  TYR  31           HE1      TYR  31 -14.914  -0.106   5.497
  252    HE2  TYR  31           HE2      TYR  31 -10.659   0.057   5.499
  253    HH   TYR  31           HH       TYR  31 -12.082  -1.591   6.651
  254    H    ASN  32           HN       ASN  32 -12.641   6.442   2.639
  255    HA   ASN  32           HA       ASN  32 -14.903   7.601   1.448
  256   1HB   ASN  32          HB2       ASN  32 -16.046   8.718   3.236
  257   2HB   ASN  32          HB1       ASN  32 -15.951   7.012   3.654
  258   1HD2  ASN  32          HD21      ASN  32 -14.616   6.366   5.359
  259   2HD2  ASN  32          HD22      ASN  32 -13.992   7.497   6.516
  260    H    MET  33           HN       MET  33 -11.848   7.807   1.751
  261    HA   MET  33           HA       MET  33 -11.810  10.624   2.643
  262   1HB   MET  33          HB2       MET  33  -9.587   8.591   2.862
  263   2HB   MET  33          HB1       MET  33  -9.467  10.283   3.331
  264   1HG   MET  33          HG2       MET  33 -11.324   9.895   4.946
  265   2HG   MET  33          HG1       MET  33 -11.234   8.179   4.553
  266   1HE   MET  33          HE1       MET  33 -11.022   9.220   7.517
  267   2HE   MET  33          HE2       MET  33  -9.667   8.264   8.117
  268   3HE   MET  33          HE3       MET  33 -10.874   7.520   7.069
  269    HA   PRO  34           HA       PRO  34 -10.115  11.759  -1.289
  270   1HB   PRO  34          HB2       PRO  34  -9.010  14.138  -0.034
  271   2HB   PRO  34          HB1       PRO  34 -10.369  14.012  -1.152
  272   1HG   PRO  34          HG2       PRO  34 -10.662  14.694   1.461
  273   2HG   PRO  34          HG1       PRO  34 -11.912  13.838   0.541
  274   1HD   PRO  34          HD2       PRO  34  -9.906  12.745   2.481
  275   2HD   PRO  34          HD1       PRO  34 -11.628  12.346   2.296
  276    H    VAL  35           HN       VAL  35  -8.510  10.508   1.123
  277    HA   VAL  35           HA       VAL  35  -5.858  11.293   1.022
  278    HB   VAL  35           HB       VAL  35  -7.225   8.701   1.694
  279   1HG1  VAL  35          HG11      VAL  35  -5.128   7.767   2.469
  280   2HG1  VAL  35          HG12      VAL  35  -4.248   9.161   1.828
  281   3HG1  VAL  35          HG13      VAL  35  -5.075   8.054   0.728
  282   1HG2  VAL  35          HG21      VAL  35  -6.424   9.252   3.937
  283   2HG2  VAL  35          HG22      VAL  35  -7.395  10.556   3.255
  284   3HG2  VAL  35          HG23      VAL  35  -5.637  10.696   3.302
  285    H    ILE  36           HN       ILE  36  -4.578  11.457  -0.630
  286    HA   ILE  36           HA       ILE  36  -5.130   9.939  -3.044
  287    HB   ILE  36           HB       ILE  36  -3.208  12.220  -2.552
  288   1HG1  ILE  36          HG12      ILE  36  -5.546  12.901  -2.417
  289   2HG1  ILE  36          HG11      ILE  36  -4.794  13.542  -3.876
  290   1HG2  ILE  36          HG21      ILE  36  -2.340  10.898  -4.347
  291   2HG2  ILE  36          HG22      ILE  36  -3.085  12.346  -5.032
  292   3HG2  ILE  36          HG23      ILE  36  -3.931  10.800  -5.106
  293   1HD1  ILE  36          HD11      ILE  36  -7.044  12.750  -4.316
  294   2HD1  ILE  36          HD12      ILE  36  -6.605  11.144  -3.731
  295   3HD1  ILE  36          HD13      ILE  36  -5.854  11.788  -5.192
  296    H    ALA  37           HN       ALA  37  -4.333   7.879  -2.568
  297    HA   ALA  37           HA       ALA  37  -2.015   6.973  -1.631
  298   1HB   ALA  37          HB1       ALA  37  -3.705   5.568  -2.703
  299   2HB   ALA  37          HB2       ALA  37  -2.084   5.187  -3.287
  300   3HB   ALA  37          HB3       ALA  37  -3.178   6.141  -4.286
  301    H    GLU  38           HN       GLU  38  -2.312   8.263  -4.946
  302    HA   GLU  38           HA       GLU  38   0.313   7.918  -5.755
  303   1HB   GLU  38          HB2       GLU  38  -1.718  10.000  -6.501
  304   2HB   GLU  38          HB1       GLU  38  -0.114   9.988  -7.216
  305   1HG   GLU  38          HG2       GLU  38  -0.574   7.612  -7.912
  306   2HG   GLU  38          HG1       GLU  38  -2.247   7.891  -7.427
  307    H    ALA  39           HN       ALA  39  -1.004  10.482  -3.748
  308    HA   ALA  39           HA       ALA  39   1.234  12.219  -4.058
  309   1HB   ALA  39          HB1       ALA  39   0.271  13.505  -2.229
  310   2HB   ALA  39          HB2       ALA  39  -0.850  12.189  -1.877
  311   3HB   ALA  39          HB3       ALA  39  -0.967  13.064  -3.405
  312    H    VAL  40           HN       VAL  40   0.280   9.826  -1.607
  313    HA   VAL  40           HA       VAL  40   2.522  10.172   0.044
  314    HB   VAL  40           HB       VAL  40   0.678   7.837  -0.337
  315   1HG1  VAL  40          HG11      VAL  40   2.832   8.193   1.756
  316   2HG1  VAL  40          HG12      VAL  40   2.842   6.998   0.459
  317   3HG1  VAL  40          HG13      VAL  40   1.622   6.911   1.730
  318   1HG2  VAL  40          HG21      VAL  40   0.974   9.900   1.847
  319   2HG2  VAL  40          HG22      VAL  40  -0.212   8.596   1.811
  320   3HG2  VAL  40          HG23      VAL  40  -0.279   9.882   0.607
  321    H    GLU  41           HN       GLU  41   1.915   8.242  -2.807
  322    HA   GLU  41           HA       GLU  41   4.189   6.644  -2.882
  323   1HB   GLU  41          HB2       GLU  41   2.361   6.352  -4.446
  324   2HB   GLU  41          HB1       GLU  41   2.658   7.935  -5.147
  325   1HG   GLU  41          HG2       GLU  41   4.992   6.997  -5.711
  326   2HG   GLU  41          HG1       GLU  41   4.251   5.422  -5.424
  327    H    ARG  42           HN       ARG  42   3.724   9.940  -4.193
  328    HA   ARG  42           HA       ARG  42   6.138  10.325  -5.415
  329   1HB   ARG  42          HB2       ARG  42   4.188  12.138  -4.114
  330   2HB   ARG  42          HB1       ARG  42   5.773  12.800  -4.479
  331   1HG   ARG  42          HG2       ARG  42   4.260  13.298  -6.267
  332   2HG   ARG  42          HG1       ARG  42   5.467  12.146  -6.835
  333   1HD   ARG  42          HD2       ARG  42   3.920  10.342  -6.698
  334   2HD   ARG  42          HD1       ARG  42   2.737  11.344  -5.854
  335    HE   ARG  42           HE       ARG  42   3.074  12.659  -8.192
  336   1HH1  ARG  42          HH11      ARG  42   2.476   9.257  -7.558
  337   2HH1  ARG  42          HH12      ARG  42   1.409   9.073  -8.913
  338   1HH2  ARG  42          HH21      ARG  42   1.705  12.402  -9.983
  339   2HH2  ARG  42          HH22      ARG  42   0.966  10.853 -10.286
  340    H    GLU  43           HN       GLU  43   5.518  10.315  -1.982
  341    HA   GLU  43           HA       GLU  43   8.014  11.690  -1.399
  342   1HB   GLU  43          HB2       GLU  43   5.869  10.639   0.436
  343   2HB   GLU  43          HB1       GLU  43   7.319  11.467   0.983
  344   1HG   GLU  43          HG2       GLU  43   6.568  13.383  -0.532
  345   2HG   GLU  43          HG1       GLU  43   5.006  12.563  -0.568
  346    H    GLN  44           HN       GLN  44   7.388   8.555  -2.145
  347    HA   GLN  44           HA       GLN  44   9.516   7.659  -0.332
  348   1HB   GLN  44          HB2       GLN  44   8.353   5.515   0.002
  349   2HB   GLN  44          HB1       GLN  44   7.472   6.887   0.653
  350   1HG   GLN  44          HG2       GLN  44   6.095   6.853  -1.450
  351   2HG   GLN  44          HG1       GLN  44   6.868   5.309  -1.825
  352   1HE2  GLN  44          HE21      GLN  44   6.119   6.384   1.403
  353   2HE2  GLN  44          HE22      GLN  44   4.898   5.208   1.721
  354    HA   PRO  45           HA       PRO  45  11.939   5.826  -3.349
  355   1HB   PRO  45          HB2       PRO  45  11.644   3.054  -2.862
  356   2HB   PRO  45          HB1       PRO  45  12.893   4.128  -2.228
  357   1HG   PRO  45          HG2       PRO  45  10.360   3.211  -0.967
  358   2HG   PRO  45          HG1       PRO  45  11.925   3.578  -0.217
  359   1HD   PRO  45          HD2       PRO  45   9.881   5.264   0.020
  360   2HD   PRO  45          HD1       PRO  45  11.530   5.877  -0.237
  361    H    GLU  46           HN       GLU  46  11.443   5.921  -5.371
  362    HA   GLU  46           HA       GLU  46   9.259   4.884  -6.773
  363   1HB   GLU  46          HB2       GLU  46  10.740   6.538  -7.747
  364   2HB   GLU  46          HB1       GLU  46  12.105   5.434  -7.636
  365   1HG   GLU  46          HG2       GLU  46  11.586   5.203  -9.833
  366   2HG   GLU  46          HG1       GLU  46  10.597   3.920  -9.127
  367    H    HIS  47           HN       HIS  47  12.099   3.367  -5.540
  368    HA   HIS  47           HA       HIS  47  12.315   1.105  -7.109
  369   1HB   HIS  47          HB2       HIS  47  13.785   1.866  -5.148
  370   2HB   HIS  47          HB1       HIS  47  12.620   1.069  -4.101
  371    HD1  HIS  47           HD1      HIS  47  15.792   0.455  -5.264
  372    HD2  HIS  47           HD2      HIS  47  12.303  -1.812  -5.394
  373    HE1  HIS  47           HE1      HIS  47  16.538  -1.932  -5.541
  374    HE2  HIS  47           HE2      HIS  47  14.407  -3.254  -5.817
  375    H    LEU  48           HN       LEU  48   9.968   1.859  -4.589
  376    HA   LEU  48           HA       LEU  48   8.635  -0.716  -5.119
  377   1HB   LEU  48          HB2       LEU  48   8.322   1.231  -2.840
  378   2HB   LEU  48          HB1       LEU  48   7.191  -0.064  -3.134
  379    HG   LEU  48           HG       LEU  48   8.508  -0.914  -1.412
  380   1HD1  LEU  48          HD11      LEU  48   8.370  -2.447  -3.363
  381   2HD1  LEU  48          HD12      LEU  48   9.832  -2.687  -2.399
  382   3HD1  LEU  48          HD13      LEU  48   9.923  -1.832  -3.940
  383   1HD2  LEU  48          HD21      LEU  48  10.119   0.873  -1.384
  384   2HD2  LEU  48          HD22      LEU  48  10.882   0.283  -2.867
  385   3HD2  LEU  48          HD23      LEU  48  10.961  -0.681  -1.389
  386    H    ARG  49           HN       ARG  49   8.469   1.522  -7.021
  387    HA   ARG  49           HA       ARG  49   6.030   2.910  -6.611
  388   1HB   ARG  49          HB2       ARG  49   7.767   3.619  -8.245
  389   2HB   ARG  49          HB1       ARG  49   7.319   2.251  -9.260
  390   1HG   ARG  49          HG2       ARG  49   5.034   3.161  -9.422
  391   2HG   ARG  49          HG1       ARG  49   5.551   4.562  -8.480
  392   1HD   ARG  49          HD2       ARG  49   7.294   4.966 -10.230
  393   2HD   ARG  49          HD1       ARG  49   6.527   3.704 -11.192
  394    HE   ARG  49           HE       ARG  49   4.457   5.331 -10.685
  395   1HH1  ARG  49          HH11      ARG  49   7.724   6.004 -11.731
  396   2HH1  ARG  49          HH12      ARG  49   7.273   7.374 -12.705
  397   1HH2  ARG  49          HH21      ARG  49   3.853   7.158 -11.919
  398   2HH2  ARG  49          HH22      ARG  49   5.063   8.053 -12.777
  399    H    SER  50           HN       SER  50   6.769   0.240  -8.831
  400    HA   SER  50           HA       SER  50   4.160  -0.515  -9.457
  401   1HB   SER  50          HB2       SER  50   6.106  -1.407 -10.653
  402   2HB   SER  50          HB1       SER  50   6.611  -2.285  -9.210
  403    HG   SER  50           HG       SER  50   4.601  -3.452  -9.361
  404    H    TRP  51           HN       TRP  51   6.187  -1.405  -6.763
  405    HA   TRP  51           HA       TRP  51   4.452  -3.329  -5.609
  406   1HB   TRP  51          HB2       TRP  51   6.673  -3.495  -4.930
  407   2HB   TRP  51          HB1       TRP  51   6.863  -1.745  -4.763
  408    HD1  TRP  51           HD1      TRP  51   5.644  -0.773  -2.279
  409    HE1  TRP  51           HE1      TRP  51   5.732  -1.997  -0.037
  410    HE3  TRP  51           HE3      TRP  51   6.704  -5.417  -3.981
  411    HZ2  TRP  51           HZ2      TRP  51   6.256  -4.572   0.884
  412    HZ3  TRP  51           HZ3      TRP  51   7.013  -7.198  -2.396
  413    HH2  TRP  51           HH2      TRP  51   6.791  -6.821   0.029
  414    H    PHE  52           HN       PHE  52   4.921   0.158  -4.918
  415    HA   PHE  52           HA       PHE  52   2.950   0.468  -3.017
  416   1HB   PHE  52          HB2       PHE  52   4.448   2.291  -3.936
  417   2HB   PHE  52          HB1       PHE  52   3.363   2.392  -5.318
  418    HD1  PHE  52           HD1      PHE  52   3.483   2.684  -1.636
  419    HD2  PHE  52           HD2      PHE  52   1.429   3.700  -5.213
  420    HE1  PHE  52           HE1      PHE  52   2.056   4.223  -0.361
  421    HE2  PHE  52           HE2      PHE  52  -0.009   5.242  -3.946
  422    HZ   PHE  52           HZ       PHE  52   0.305   5.507  -1.519
  423    H    ARG  53           HN       ARG  53   2.594   0.607  -6.550
  424    HA   ARG  53           HA       ARG  53  -0.140   0.726  -6.788
  425   1HB   ARG  53          HB2       ARG  53   2.065  -0.298  -8.421
  426   2HB   ARG  53          HB1       ARG  53   0.521  -1.102  -8.720
  427   1HG   ARG  53          HG2       ARG  53   0.907   1.890  -8.765
  428   2HG   ARG  53          HG1       ARG  53   1.000   0.862 -10.197
  429   1HD   ARG  53          HD2       ARG  53  -1.286   0.132  -9.853
  430   2HD   ARG  53          HD1       ARG  53  -1.385   1.071  -8.364
  431    HE   ARG  53           HE       ARG  53  -1.223   3.084  -9.714
  432   1HH1  ARG  53          HH11      ARG  53  -1.903   0.102 -11.437
  433   2HH1  ARG  53          HH12      ARG  53  -2.648   0.909 -12.782
  434   1HH2  ARG  53          HH21      ARG  53  -2.187   4.132 -11.497
  435   2HH2  ARG  53          HH22      ARG  53  -2.821   3.181 -12.811
  436    H    GLU  54           HN       GLU  54   1.827  -2.238  -6.574
  437    HA   GLU  54           HA       GLU  54  -0.402  -3.911  -6.854
  438   1HB   GLU  54          HB2       GLU  54   2.354  -4.548  -5.791
  439   2HB   GLU  54          HB1       GLU  54   1.149  -5.750  -6.231
  440   1HG   GLU  54          HG2       GLU  54   1.188  -4.961  -8.535
  441   2HG   GLU  54          HG1       GLU  54   2.385  -3.742  -8.097
  442    H    ARG  55           HN       ARG  55   1.231  -2.607  -4.064
  443    HA   ARG  55           HA       ARG  55  -0.188  -4.223  -2.182
  444   1HB   ARG  55          HB2       ARG  55   1.637  -1.880  -2.030
  445   2HB   ARG  55          HB1       ARG  55   0.584  -2.181  -0.656
  446   1HG   ARG  55          HG2       ARG  55   2.801  -3.184  -0.378
  447   2HG   ARG  55          HG1       ARG  55   1.515  -4.386  -0.361
  448   1HD   ARG  55          HD2       ARG  55   2.981  -3.771  -2.897
  449   2HD   ARG  55          HD1       ARG  55   3.700  -4.839  -1.696
  450    HE   ARG  55           HE       ARG  55   1.043  -5.636  -2.307
  451   1HH1  ARG  55          HH11      ARG  55   4.296  -5.668  -3.590
  452   2HH1  ARG  55          HH12      ARG  55   4.049  -7.100  -4.537
  453   1HH2  ARG  55          HH21      ARG  55   0.718  -7.547  -3.577
  454   2HH2  ARG  55          HH22      ARG  55   2.053  -8.166  -4.507
  455    H    LEU  56           HN       LEU  56  -0.580  -0.945  -3.494
  456    HA   LEU  56           HA       LEU  56  -2.954  -0.216  -2.253
  457   1HB   LEU  56          HB2       LEU  56  -2.100   0.145  -5.125
  458   2HB   LEU  56          HB1       LEU  56  -3.548   0.870  -4.460
  459    HG   LEU  56           HG       LEU  56  -0.720   1.442  -3.559
  460   1HD1  LEU  56          HD11      LEU  56  -1.100   3.626  -4.595
  461   2HD1  LEU  56          HD12      LEU  56  -2.677   3.084  -5.168
  462   3HD1  LEU  56          HD13      LEU  56  -1.208   2.324  -5.780
  463   1HD2  LEU  56          HD21      LEU  56  -2.332   1.640  -1.740
  464   2HD2  LEU  56          HD22      LEU  56  -3.354   2.671  -2.740
  465   3HD2  LEU  56          HD23      LEU  56  -1.755   3.228  -2.245
  466    H    ILE  57           HN       ILE  57  -2.397  -2.234  -5.083
  467    HA   ILE  57           HA       ILE  57  -4.909  -2.800  -5.911
  468    HB   ILE  57           HB       ILE  57  -2.387  -4.406  -5.902
  469   1HG1  ILE  57          HG12      ILE  57  -2.423  -2.371  -7.250
  470   2HG1  ILE  57          HG11      ILE  57  -2.341  -3.799  -8.270
  471   1HG2  ILE  57          HG21      ILE  57  -4.944  -5.140  -7.288
  472   2HG2  ILE  57          HG22      ILE  57  -4.168  -6.015  -5.968
  473   3HG2  ILE  57          HG23      ILE  57  -3.373  -5.901  -7.537
  474   1HD1  ILE  57          HD11      ILE  57  -4.806  -2.169  -7.710
  475   2HD1  ILE  57          HD12      ILE  57  -4.725  -3.596  -8.741
  476   3HD1  ILE  57          HD13      ILE  57  -3.849  -2.134  -9.192
  477    H    ALA  58           HN       ALA  58  -2.993  -4.801  -3.661
  478    HA   ALA  58           HA       ALA  58  -5.154  -6.580  -3.145
  479   1HB   ALA  58          HB1       ALA  58  -2.814  -7.265  -2.978
  480   2HB   ALA  58          HB2       ALA  58  -3.694  -7.585  -1.484
  481   3HB   ALA  58          HB3       ALA  58  -2.602  -6.203  -1.586
  482    H    HIS  59           HN       HIS  59  -3.963  -3.729  -1.475
  483    HA   HIS  59           HA       HIS  59  -5.381  -4.345   0.939
  484   1HB   HIS  59          HB2       HIS  59  -3.816  -1.922   0.070
  485   2HB   HIS  59          HB1       HIS  59  -4.699  -1.968   1.592
  486    HD1  HIS  59           HD1      HIS  59  -3.911  -4.156   3.186
  487    HD2  HIS  59           HD2      HIS  59  -1.265  -2.764   0.288
  488    HE1  HIS  59           HE1      HIS  59  -1.642  -5.025   3.855
  489    HE2  HIS  59           HE2      HIS  59  -0.029  -4.032   2.181
  490    H    ARG  60           HN       ARG  60  -5.939  -2.299  -1.897
  491    HA   ARG  60           HA       ARG  60  -8.288  -1.154  -0.670
  492   1HB   ARG  60          HB2       ARG  60  -8.659   0.078  -2.671
  493   2HB   ARG  60          HB1       ARG  60  -6.937   0.132  -2.337
  494   1HG   ARG  60          HG2       ARG  60  -6.443  -1.330  -4.102
  495   2HG   ARG  60          HG1       ARG  60  -8.128  -1.829  -4.267
  496   1HD   ARG  60          HD2       ARG  60  -7.334  -0.249  -6.032
  497   2HD   ARG  60          HD1       ARG  60  -8.754   0.295  -5.144
  498    HE   ARG  60           HE       ARG  60  -7.191   1.742  -3.857
  499   1HH1  ARG  60          HH11      ARG  60  -6.324   0.609  -7.058
  500   2HH1  ARG  60          HH12      ARG  60  -5.268   1.956  -7.378
  501   1HH2  ARG  60          HH21      ARG  60  -5.825   3.529  -4.286
  502   2HH2  ARG  60          HH22      ARG  60  -4.966   3.598  -5.803
  503    H    LEU  61           HN       LEU  61  -7.549  -3.818  -2.870
  504    HA   LEU  61           HA       LEU  61 -10.281  -4.342  -3.487
  505   1HB   LEU  61          HB2       LEU  61  -9.593  -6.342  -4.488
  506   2HB   LEU  61          HB1       LEU  61  -8.257  -5.245  -4.744
  507    HG   LEU  61           HG       LEU  61  -7.215  -6.406  -2.658
  508   1HD1  LEU  61          HD11      LEU  61  -7.855  -8.725  -2.376
  509   2HD1  LEU  61          HD12      LEU  61  -9.140  -8.542  -3.569
  510   3HD1  LEU  61          HD13      LEU  61  -9.230  -7.675  -2.037
  511   1HD2  LEU  61          HD21      LEU  61  -6.331  -6.527  -4.923
  512   2HD2  LEU  61          HD22      LEU  61  -7.476  -7.811  -5.313
  513   3HD2  LEU  61          HD23      LEU  61  -6.210  -8.089  -4.115
  514    H    ALA  62           HN       ALA  62  -8.157  -5.117  -0.821
  515    HA   ALA  62           HA       ALA  62 -10.023  -6.886   0.450
  516   1HB   ALA  62          HB1       ALA  62  -7.626  -6.877   0.997
  517   2HB   ALA  62          HB2       ALA  62  -8.635  -6.643   2.425
  518   3HB   ALA  62          HB3       ALA  62  -7.804  -5.267   1.698
  519    H    SER  63           HN       SER  63  -9.271  -3.433   0.796
  520    HA   SER  63           HA       SER  63 -10.993  -2.927   2.951
  521   1HB   SER  63          HB2       SER  63  -9.222  -1.381   2.395
  522   2HB   SER  63          HB1       SER  63  -9.936  -1.065   0.810
  523    HG   SER  63           HG       SER  63 -11.811  -0.572   2.590
  524    H    VAL  64           HN       VAL  64 -11.614  -2.945  -0.521
  525    HA   VAL  64           HA       VAL  64 -14.011  -1.412  -0.308
  526    HB   VAL  64           HB       VAL  64 -12.585  -1.476  -2.346
  527   1HG1  VAL  64          HG11      VAL  64 -12.077  -3.813  -2.500
  528   2HG1  VAL  64          HG12      VAL  64 -12.939  -3.317  -3.957
  529   3HG1  VAL  64          HG13      VAL  64 -13.782  -4.215  -2.695
  530   1HG2  VAL  64          HG21      VAL  64 -14.834  -0.579  -2.454
  531   2HG2  VAL  64          HG22      VAL  64 -15.487  -2.191  -2.745
  532   3HG2  VAL  64          HG23      VAL  64 -14.444  -1.433  -3.948
  533    H    ASN  65           HN       ASN  65 -13.377  -4.740   0.268
  534    HA   ASN  65           HA       ASN  65 -16.256  -5.311   0.004
  535   1HB   ASN  65          HB2       ASN  65 -13.900  -7.142  -0.493
  536   2HB   ASN  65          HB1       ASN  65 -15.540  -7.737  -0.264
  537   1HD2  ASN  65          HD21      ASN  65 -17.120  -7.233  -1.825
  538   2HD2  ASN  65          HD22      ASN  65 -16.669  -6.810  -3.441
  539    H    LEU  66           HN       LEU  66 -13.981  -4.635   2.171
  540    HA   LEU  66           HA       LEU  66 -13.994  -6.851   3.939
  541   1HB   LEU  66          HB2       LEU  66 -12.209  -5.128   3.826
  542   2HB   LEU  66          HB1       LEU  66 -13.332  -3.965   4.511
  543    HG   LEU  66           HG       LEU  66 -12.906  -6.430   6.083
  544   1HD1  LEU  66          HD11      LEU  66 -10.808  -4.272   5.871
  545   2HD1  LEU  66          HD12      LEU  66 -10.632  -5.938   5.322
  546   3HD1  LEU  66          HD13      LEU  66 -10.819  -5.590   7.041
  547   1HD2  LEU  66          HD21      LEU  66 -12.996  -3.504   6.803
  548   2HD2  LEU  66          HD22      LEU  66 -13.016  -4.859   7.934
  549   3HD2  LEU  66          HD23      LEU  66 -14.370  -4.609   6.832
  550    H    SER  67           HN       SER  67 -15.446  -3.661   4.248
  551    HA   SER  67           HA       SER  67 -16.527  -4.168   6.779
  552   1HB   SER  67          HB2       SER  67 -17.789  -1.947   6.193
  553   2HB   SER  67          HB1       SER  67 -16.042  -1.961   6.442
  554    HG   SER  67           HG       SER  67 -15.952  -1.153   4.512
  555    H    ARG  68           HN       ARG  68 -17.693  -6.224   6.041
  556    HA   ARG  68           HA       ARG  68 -19.624  -7.389   5.694
  557   1HB   ARG  68          HB2       ARG  68 -20.763  -4.938   7.045
  558   2HB   ARG  68          HB1       ARG  68 -21.591  -6.479   6.889
  559   1HG   ARG  68          HG2       ARG  68 -19.040  -5.987   8.407
  560   2HG   ARG  68          HG1       ARG  68 -20.643  -6.218   9.106
  561   1HD   ARG  68          HD2       ARG  68 -20.719  -8.469   8.101
  562   2HD   ARG  68          HD1       ARG  68 -19.083  -8.229   7.492
  563    HE   ARG  68           HE       ARG  68 -19.675  -8.134  10.378
  564   1HH1  ARG  68          HH11      ARG  68 -17.866  -9.386   7.649
  565   2HH1  ARG  68          HH12      ARG  68 -16.786 -10.329   8.633
  566   1HH2  ARG  68          HH21      ARG  68 -18.256  -9.370  11.683
  567   2HH2  ARG  68          HH22      ARG  68 -17.012 -10.320  10.930
  568    H    LEU  69           HN       LEU  69 -21.861  -4.879   5.580
  569    HA   LEU  69           HA       LEU  69 -22.207  -5.106   2.699
  570   1HB   LEU  69          HB2       LEU  69 -23.794  -3.649   4.826
  571   2HB   LEU  69          HB1       LEU  69 -24.171  -3.576   3.119
  572    HG   LEU  69           HG       LEU  69 -24.498  -6.088   3.199
  573   1HD1  LEU  69          HD11      LEU  69 -24.937  -7.098   5.357
  574   2HD1  LEU  69          HD12      LEU  69 -24.507  -5.593   6.169
  575   3HD1  LEU  69          HD13      LEU  69 -23.279  -6.499   5.286
  576   1HD2  LEU  69          HD21      LEU  69 -26.366  -4.551   3.119
  577   2HD2  LEU  69          HD22      LEU  69 -26.287  -4.329   4.866
  578   3HD2  LEU  69          HD23      LEU  69 -26.736  -5.897   4.198
  579    HA   PRO  70           HA       PRO  70 -19.442  -1.652   2.900
  580   1HB   PRO  70          HB2       PRO  70 -18.389  -2.132   0.396
  581   2HB   PRO  70          HB1       PRO  70 -17.889  -2.947   1.872
  582   1HG   PRO  70          HG2       PRO  70 -19.202  -4.072  -0.374
  583   2HG   PRO  70          HG1       PRO  70 -18.817  -4.873   1.161
  584   1HD   PRO  70          HD2       PRO  70 -21.340  -3.585   0.263
  585   2HD   PRO  70          HD1       PRO  70 -21.118  -4.983   1.345
  586    H    TYR  71           HN       TYR  71 -20.270   0.242   2.773
  587    HA   TYR  71           HA       TYR  71 -20.301   2.298   1.821
  588   1HB   TYR  71          HB2       TYR  71 -20.327   0.741  -0.721
  589   2HB   TYR  71          HB1       TYR  71 -20.183   2.498  -0.604
  590    HD1  TYR  71           HD1      TYR  71 -18.297   3.454   0.707
  591    HD2  TYR  71           HD2      TYR  71 -18.461  -0.655  -0.363
  592    HE1  TYR  71           HE1      TYR  71 -15.912   3.249   1.190
  593    HE2  TYR  71           HE2      TYR  71 -16.045  -0.866   0.080
  594    HH   TYR  71           HH       TYR  71 -14.057   0.553   0.228
  595    H    GLU  72           HN       GLU  72 -22.619  -0.142   0.810
  596    HA   GLU  72           HA       GLU  72 -24.727   1.763   0.983
  597   1HB   GLU  72          HB2       GLU  72 -24.107   0.151  -1.466
  598   2HB   GLU  72          HB1       GLU  72 -25.756   0.648  -1.118
  599   1HG   GLU  72          HG2       GLU  72 -23.469   2.582  -1.309
  600   2HG   GLU  72          HG1       GLU  72 -24.457   2.117  -2.693
  601    HA   PRO  73           HA       PRO  73 -25.492  -2.111   3.114
  602   1HB   PRO  73          HB2       PRO  73 -26.868  -0.627   5.171
  603   2HB   PRO  73          HB1       PRO  73 -25.300  -1.427   5.260
  604   1HG   PRO  73          HG2       PRO  73 -25.652   1.300   5.333
  605   2HG   PRO  73          HG1       PRO  73 -24.157   0.496   4.822
  606   1HD   PRO  73          HD2       PRO  73 -26.339   1.682   3.155
  607   2HD   PRO  73          HD1       PRO  73 -24.579   1.709   2.901
  608    H    LYS  74           HN       LYS  74 -27.317  -0.731   1.112
  609    HA   LYS  74           HA       LYS  74 -29.983  -0.943   2.120
  610   1HB   LYS  74          HB2       LYS  74 -28.884  -0.687  -0.680
  611   2HB   LYS  74          HB1       LYS  74 -30.599  -0.647  -0.289
  612   1HG   LYS  74          HG2       LYS  74 -30.402   1.378   0.871
  613   2HG   LYS  74          HG1       LYS  74 -28.642   1.254   0.954
  614   1HD   LYS  74          HD2       LYS  74 -28.431   1.654  -1.380
  615   2HD   LYS  74          HD1       LYS  74 -30.173   1.511  -1.626
  616   1HE   LYS  74          HE2       LYS  74 -28.835   3.640   0.039
  617   2HE   LYS  74          HE1       LYS  74 -29.358   3.857  -1.633
  618   1HZ   LYS  74          HZ1       LYS  74 -31.631   3.328  -0.910
  619   2HZ   LYS  74          HZ2       LYS  74 -31.022   4.712  -0.150
  620   3HZ   LYS  74          HZ3       LYS  74 -31.101   3.245   0.697
  621    H    LEU  75           HN       LEU  75 -27.723  -3.178   0.940
  622    HA   LEU  75           HA       LEU  75 -29.215  -5.103  -0.261
  623   1HB   LEU  75          HB2       LEU  75 -26.962  -5.565   1.674
  624   2HB   LEU  75          HB1       LEU  75 -27.532  -6.696   0.462
  625    HG   LEU  75           HG       LEU  75 -26.249  -4.027  -0.132
  626   1HD1  LEU  75          HD11      LEU  75 -24.663  -5.594   0.852
  627   2HD1  LEU  75          HD12      LEU  75 -24.325  -5.338  -0.860
  628   3HD1  LEU  75          HD13      LEU  75 -25.126  -6.818  -0.331
  629   1HD2  LEU  75          HD21      LEU  75 -26.167  -4.832  -2.432
  630   2HD2  LEU  75          HD22      LEU  75 -27.830  -4.744  -1.852
  631   3HD2  LEU  75          HD23      LEU  75 -27.014  -6.304  -1.957
  632    H    LYS  76           HN       LYS  76 -30.662  -6.590   0.393
  633    HA   LYS  76           HA       LYS  76 -31.309  -6.650   3.263
  634   1HB   LYS  76          HB2       LYS  76 -33.113  -7.129   0.880
  635   2HB   LYS  76          HB1       LYS  76 -33.597  -7.333   2.556
  636   1HG   LYS  76          HG2       LYS  76 -32.771  -4.767   1.219
  637   2HG   LYS  76          HG1       LYS  76 -34.396  -5.223   1.736
  638   1HD   LYS  76          HD2       LYS  76 -33.560  -5.334   4.070
  639   2HD   LYS  76          HD1       LYS  76 -32.002  -4.732   3.502
  640   1HE   LYS  76          HE2       LYS  76 -33.290  -2.903   4.401
  641   2HE   LYS  76          HE1       LYS  76 -33.129  -2.709   2.657
  642   1HZ   LYS  76          HZ1       LYS  76 -35.508  -3.885   3.984
  643   2HZ   LYS  76          HZ2       LYS  76 -35.354  -3.487   2.344
  644   3HZ   LYS  76          HZ3       LYS  76 -35.390  -2.262   3.517
  Start of MODEL    4
    1   1H    MET   1           HT1      MET   1  23.691 -14.296  15.018
    2   2H    MET   1           HT2      MET   1  23.440 -15.820  15.715
    3   3H    MET   1           HT3      MET   1  22.112 -14.888  15.217
    4    HA   MET   1           HA       MET   1  24.183 -16.096  13.476
    5   1HB   MET   1          HB2       MET   1  21.242 -16.691  13.853
    6   2HB   MET   1          HB1       MET   1  22.210 -17.336  12.536
    7   1HG   MET   1          HG2       MET   1  23.661 -18.452  14.172
    8   2HG   MET   1          HG1       MET   1  22.638 -17.839  15.470
    9   1HE   MET   1          HE1       MET   1  21.155 -20.789  12.244
   10   2HE   MET   1          HE2       MET   1  22.802 -20.161  12.307
   11   3HE   MET   1          HE3       MET   1  21.460 -19.081  11.934
   12    H    LEU   2           HN       LEU   2  20.986 -14.495  13.411
   13    HA   LEU   2           HA       LEU   2  21.893 -12.849  11.191
   14   1HB   LEU   2          HB2       LEU   2  19.760 -13.436   9.925
   15   2HB   LEU   2          HB1       LEU   2  21.061 -14.607   9.899
   16    HG   LEU   2           HG       LEU   2  19.812 -15.802  11.793
   17   1HD1  LEU   2          HD11      LEU   2  18.291 -14.006  12.404
   18   2HD1  LEU   2          HD12      LEU   2  17.396 -15.429  11.868
   19   3HD1  LEU   2          HD13      LEU   2  17.576 -14.044  10.792
   20   1HD2  LEU   2          HD21      LEU   2  18.343 -16.948  10.206
   21   2HD2  LEU   2          HD22      LEU   2  19.945 -16.661   9.526
   22   3HD2  LEU   2          HD23      LEU   2  18.587 -15.645   9.043
   23    H    LYS   3           HN       LYS   3  19.877 -11.417  10.499
   24    HA   LYS   3           HA       LYS   3  18.419 -10.626  12.924
   25   1HB   LYS   3          HB2       LYS   3  19.672  -8.711  10.947
   26   2HB   LYS   3          HB1       LYS   3  18.744  -8.272  12.372
   27   1HG   LYS   3          HG2       LYS   3  20.484  -9.266  13.791
   28   2HG   LYS   3          HG1       LYS   3  21.419  -9.654  12.344
   29   1HD   LYS   3          HD2       LYS   3  21.467  -7.251  11.778
   30   2HD   LYS   3          HD1       LYS   3  20.627  -6.902  13.289
   31   1HE   LYS   3          HE2       LYS   3  22.508  -7.943  14.521
   32   2HE   LYS   3          HE1       LYS   3  23.350  -8.160  12.986
   33   1HZ   LYS   3          HZ1       LYS   3  24.145  -6.178  14.021
   34   2HZ   LYS   3          HZ2       LYS   3  22.571  -5.585  14.242
   35   3HZ   LYS   3          HZ3       LYS   3  23.213  -5.721  12.679
   36    H    ASN   4           HN       ASN   4  16.553 -11.612  12.180
   37    HA   ASN   4           HA       ASN   4  14.523 -11.698  11.155
   38   1HB   ASN   4          HB2       ASN   4  14.544  -9.224  11.188
   39   2HB   ASN   4          HB1       ASN   4  15.414  -9.214   9.661
   40   1HD2  ASN   4          HD21      ASN   4  12.740 -11.354  10.539
   41   2HD2  ASN   4          HD22      ASN   4  11.639 -10.731   9.355
   42    H    LEU   5           HN       LEU   5  13.826 -12.997   9.526
   43    HA   LEU   5           HA       LEU   5  15.726 -14.019   7.679
   44   1HB   LEU   5          HB2       LEU   5  14.008 -15.468   6.893
   45   2HB   LEU   5          HB1       LEU   5  13.843 -15.348   8.632
   46    HG   LEU   5           HG       LEU   5  12.149 -13.712   6.751
   47   1HD1  LEU   5          HD11      LEU   5  11.835 -16.067   6.207
   48   2HD1  LEU   5          HD12      LEU   5  10.415 -15.411   7.020
   49   3HD1  LEU   5          HD13      LEU   5  11.546 -16.431   7.909
   50   1HD2  LEU   5          HD21      LEU   5  11.764 -14.576   9.618
   51   2HD2  LEU   5          HD22      LEU   5  10.639 -13.608   8.667
   52   3HD2  LEU   5          HD23      LEU   5  12.226 -12.961   9.078
   53    H    ALA   6           HN       ALA   6  15.319 -14.137   5.322
   54    HA   ALA   6           HA       ALA   6  15.140 -13.181   3.277
   55   1HB   ALA   6          HB1       ALA   6  13.037 -11.407   4.516
   56   2HB   ALA   6          HB2       ALA   6  12.742 -12.988   3.794
   57   3HB   ALA   6          HB3       ALA   6  13.318 -11.655   2.792
   58    H    LYS   7           HN       LYS   7  16.726 -12.032   5.627
   59    HA   LYS   7           HA       LYS   7  17.161  -9.271   5.095
   60   1HB   LYS   7          HB2       LYS   7  17.872 -10.959   7.087
   61   2HB   LYS   7          HB1       LYS   7  19.368 -10.945   6.176
   62   1HG   LYS   7          HG2       LYS   7  18.059  -8.394   7.038
   63   2HG   LYS   7          HG1       LYS   7  19.087  -9.315   8.131
   64   1HD   LYS   7          HD2       LYS   7  20.606  -7.849   7.225
   65   2HD   LYS   7          HD1       LYS   7  20.778  -9.221   6.131
   66   1HE   LYS   7          HE2       LYS   7  20.658  -7.096   4.918
   67   2HE   LYS   7          HE1       LYS   7  19.297  -8.148   4.530
   68   1HZ   LYS   7          HZ1       LYS   7  18.430  -6.654   6.651
   69   2HZ   LYS   7          HZ2       LYS   7  18.014  -6.427   5.021
   70   3HZ   LYS   7          HZ3       LYS   7  19.296  -5.545   5.701
   71    H    LEU   8           HN       LEU   8  17.571  -8.868   2.936
   72    HA   LEU   8           HA       LEU   8  19.659 -10.507   1.665
   73   1HB   LEU   8          HB2       LEU   8  17.252  -9.185   0.426
   74   2HB   LEU   8          HB1       LEU   8  18.517  -9.988  -0.484
   75    HG   LEU   8           HG       LEU   8  16.746 -11.337   1.554
   76   1HD1  LEU   8          HD11      LEU   8  16.668 -11.407  -1.459
   77   2HD1  LEU   8          HD12      LEU   8  15.480 -10.639  -0.406
   78   3HD1  LEU   8          HD13      LEU   8  15.682 -12.391  -0.377
   79   1HD2  LEU   8          HD21      LEU   8  17.696 -13.400   0.625
   80   2HD2  LEU   8          HD22      LEU   8  18.935 -12.380   1.356
   81   3HD2  LEU   8          HD23      LEU   8  18.765 -12.439  -0.399
   82    H    ASP   9           HN       ASP   9  18.217  -7.570   0.342
   83    HA   ASP   9           HA       ASP   9  20.965  -6.562   0.147
   84   1HB   ASP   9          HB2       ASP   9  20.401  -5.636  -2.049
   85   2HB   ASP   9          HB1       ASP   9  20.140  -7.375  -2.014
   86    H    GLN  10           HN       GLN  10  18.305  -5.949   1.757
   87    HA   GLN  10           HA       GLN  10  18.394  -4.329   3.386
   88   1HB   GLN  10          HB2       GLN  10  19.858  -2.605   1.386
   89   2HB   GLN  10          HB1       GLN  10  19.375  -2.078   2.988
   90   1HG   GLN  10          HG2       GLN  10  21.228  -4.387   2.482
   91   2HG   GLN  10          HG1       GLN  10  21.770  -2.733   2.745
   92   1HE2  GLN  10          HE21      GLN  10  22.884  -3.230   4.590
   93   2HE2  GLN  10          HE22      GLN  10  22.113  -3.648   6.084
   94    H    THR  11           HN       THR  11  17.136  -4.600   0.436
   95    HA   THR  11           HA       THR  11  15.489  -2.221   0.339
   96    HB   THR  11           HB       THR  11  15.378  -4.749  -1.335
   97    HG1  THR  11           HG1      THR  11  17.131  -3.947  -2.187
   98   1HG2  THR  11          HG21      THR  11  14.180  -3.363  -2.975
   99   2HG2  THR  11          HG22      THR  11  14.176  -2.022  -1.829
  100   3HG2  THR  11          HG23      THR  11  13.287  -3.501  -1.460
  101    H    GLU  12           HN       GLU  12  15.422  -5.123   2.031
  102    HA   GLU  12           HA       GLU  12  12.759  -5.743   2.198
  103   1HB   GLU  12          HB2       GLU  12  14.697  -5.678   4.496
  104   2HB   GLU  12          HB1       GLU  12  13.236  -6.650   4.398
  105   1HG   GLU  12          HG2       GLU  12  14.921  -8.169   3.964
  106   2HG   GLU  12          HG1       GLU  12  14.353  -7.736   2.353
  107    H    MET  13           HN       MET  13  14.438  -3.053   3.371
  108    HA   MET  13           HA       MET  13  12.497  -2.310   5.363
  109   1HB   MET  13          HB2       MET  13  14.955  -0.913   4.288
  110   2HB   MET  13          HB1       MET  13  13.891  -0.201   5.490
  111   1HG   MET  13          HG2       MET  13  15.442  -2.760   5.812
  112   2HG   MET  13          HG1       MET  13  15.869  -1.192   6.500
  113   1HE   MET  13          HE1       MET  13  14.742  -3.235   9.650
  114   2HE   MET  13          HE2       MET  13  16.030  -2.275   8.922
  115   3HE   MET  13          HE3       MET  13  15.614  -3.851   8.246
  116    H    ASP  14           HN       ASP  14  13.676  -1.211   2.226
  117    HA   ASP  14           HA       ASP  14  11.905   0.756   1.727
  118   1HB   ASP  14          HB2       ASP  14  13.020  -1.263  -0.209
  119   2HB   ASP  14          HB1       ASP  14  12.222   0.231  -0.685
  120    H    LYS  15           HN       LYS  15  11.491  -2.669   0.947
  121    HA   LYS  15           HA       LYS  15   8.953  -2.651  -0.152
  122   1HB   LYS  15          HB2       LYS  15  10.367  -4.756   1.500
  123   2HB   LYS  15          HB1       LYS  15   8.882  -5.044   0.604
  124   1HG   LYS  15          HG2       LYS  15   9.965  -4.707  -1.473
  125   2HG   LYS  15          HG1       LYS  15  11.409  -4.059  -0.697
  126   1HD   LYS  15          HD2       LYS  15  11.745  -6.363  -1.476
  127   2HD   LYS  15          HD1       LYS  15  11.892  -6.235   0.278
  128   1HE   LYS  15          HE2       LYS  15   9.660  -7.119   0.566
  129   2HE   LYS  15          HE1       LYS  15   9.413  -7.147  -1.181
  130   1HZ   LYS  15          HZ1       LYS  15  11.503  -8.717   0.236
  131   2HZ   LYS  15          HZ2       LYS  15  11.086  -8.819  -1.406
  132   3HZ   LYS  15          HZ3       LYS  15   9.990  -9.335  -0.219
  133    H    VAL  16           HN       VAL  16   9.780  -3.311   3.326
  134    HA   VAL  16           HA       VAL  16   7.122  -3.641   4.079
  135    HB   VAL  16           HB       VAL  16   7.952  -3.213   6.366
  136   1HG1  VAL  16          HG11      VAL  16   9.351  -5.230   6.478
  137   2HG1  VAL  16          HG12      VAL  16   9.495  -5.185   4.721
  138   3HG1  VAL  16          HG13      VAL  16   7.921  -5.448   5.469
  139   1HG2  VAL  16          HG21      VAL  16  10.607  -2.847   5.036
  140   2HG2  VAL  16          HG22      VAL  16  10.349  -3.026   6.773
  141   3HG2  VAL  16          HG23      VAL  16   9.704  -1.620   5.926
  142    H    ASN  17           HN       ASN  17   9.186  -0.783   4.055
  143    HA   ASN  17           HA       ASN  17   7.345   0.950   5.287
  144   1HB   ASN  17          HB2       ASN  17   9.758   1.371   3.582
  145   2HB   ASN  17          HB1       ASN  17   8.681   2.733   3.874
  146   1HD2  ASN  17          HD21      ASN  17  10.973   0.545   5.256
  147   2HD2  ASN  17          HD22      ASN  17  11.127   1.344   6.789
  148    H    VAL  18           HN       VAL  18   7.915   0.292   1.779
  149    HA   VAL  18           HA       VAL  18   5.904   2.081   1.013
  150    HB   VAL  18           HB       VAL  18   7.094  -0.142  -0.578
  151   1HG1  VAL  18          HG11      VAL  18   5.441   2.254  -1.397
  152   2HG1  VAL  18          HG12      VAL  18   4.927   0.568  -1.464
  153   3HG1  VAL  18          HG13      VAL  18   6.234   1.134  -2.505
  154   1HG2  VAL  18          HG21      VAL  18   8.443   1.677  -1.546
  155   2HG2  VAL  18          HG22      VAL  18   8.729   1.503   0.186
  156   3HG2  VAL  18          HG23      VAL  18   7.710   2.812  -0.412
  157    H    ASP  19           HN       ASP  19   5.931  -1.236   1.926
  158    HA   ASP  19           HA       ASP  19   3.355  -2.002   1.029
  159   1HB   ASP  19          HB2       ASP  19   5.037  -3.641   1.718
  160   2HB   ASP  19          HB1       ASP  19   5.027  -3.001   3.354
  161    H    LEU  20           HN       LEU  20   4.537  -0.859   4.165
  162    HA   LEU  20           HA       LEU  20   2.053  -0.832   5.469
  163   1HB   LEU  20          HB2       LEU  20   4.379  -0.729   6.482
  164   2HB   LEU  20          HB1       LEU  20   4.391   0.973   6.074
  165    HG   LEU  20           HG       LEU  20   3.817   0.353   8.474
  166   1HD1  LEU  20          HD11      LEU  20   3.406   2.584   7.580
  167   2HD1  LEU  20          HD12      LEU  20   2.120   2.098   8.685
  168   3HD1  LEU  20          HD13      LEU  20   1.850   2.052   6.944
  169   1HD2  LEU  20          HD21      LEU  20   1.210  -0.428   7.178
  170   2HD2  LEU  20          HD22      LEU  20   1.485  -0.250   8.911
  171   3HD2  LEU  20          HD23      LEU  20   2.329  -1.509   8.010
  172    H    ALA  21           HN       ALA  21   3.829   1.795   3.797
  173    HA   ALA  21           HA       ALA  21   1.956   3.811   4.340
  174   1HB   ALA  21          HB1       ALA  21   3.020   5.029   2.515
  175   2HB   ALA  21          HB2       ALA  21   3.831   3.553   1.994
  176   3HB   ALA  21          HB3       ALA  21   4.221   4.270   3.558
  177    H    ALA  22           HN       ALA  22   2.288   1.607   1.564
  178    HA   ALA  22           HA       ALA  22   0.103   2.685   0.123
  179   1HB   ALA  22          HB1       ALA  22   1.852   1.309  -0.925
  180   2HB   ALA  22          HB2       ALA  22   0.225   0.712  -1.260
  181   3HB   ALA  22          HB3       ALA  22   1.232  -0.100  -0.062
  182    H    ALA  23           HN       ALA  23   0.299   0.491   2.793
  183    HA   ALA  23           HA       ALA  23  -2.275  -0.730   2.429
  184   1HB   ALA  23          HB1       ALA  23  -0.463  -1.774   3.759
  185   2HB   ALA  23          HB2       ALA  23  -1.945  -1.560   4.694
  186   3HB   ALA  23          HB3       ALA  23  -0.592  -0.450   4.922
  187    H    GLY  24           HN       GLY  24  -0.842   1.909   4.177
  188   1HA   GLY  24          HA2       GLY  24  -3.110   2.518   5.749
  189   2HA   GLY  24          HA1       GLY  24  -1.679   3.513   5.521
  190    H    VAL  25           HN       VAL  25  -1.611   4.019   2.906
  191    HA   VAL  25           HA       VAL  25  -3.567   6.013   2.561
  192    HB   VAL  25           HB       VAL  25  -1.729   4.787   0.497
  193   1HG1  VAL  25          HG11      VAL  25  -3.629   5.862  -0.565
  194   2HG1  VAL  25          HG12      VAL  25  -2.171   6.823  -0.805
  195   3HG1  VAL  25          HG13      VAL  25  -3.366   7.318   0.394
  196   1HG2  VAL  25          HG21      VAL  25  -1.480   7.236   2.245
  197   2HG2  VAL  25          HG22      VAL  25  -0.432   6.912   0.862
  198   3HG2  VAL  25          HG23      VAL  25  -0.443   5.808   2.244
  199    H    ALA  26           HN       ALA  26  -3.225   2.801   1.020
  200    HA   ALA  26           HA       ALA  26  -5.387   2.739  -0.600
  201   1HB   ALA  26          HB1       ALA  26  -3.902   0.830  -0.276
  202   2HB   ALA  26          HB2       ALA  26  -5.598   0.356  -0.188
  203   3HB   ALA  26          HB3       ALA  26  -4.649   0.514   1.290
  204    H    PHE  27           HN       PHE  27  -5.576   1.988   2.912
  205    HA   PHE  27           HA       PHE  27  -8.401   1.794   2.905
  206   1HB   PHE  27          HB2       PHE  27  -6.429   2.328   5.120
  207   2HB   PHE  27          HB1       PHE  27  -8.163   2.227   5.412
  208    HD1  PHE  27           HD1      PHE  27  -5.248   0.444   5.592
  209    HD2  PHE  27           HD2      PHE  27  -9.229   0.055   4.147
  210    HE1  PHE  27           HE1      PHE  27  -5.059  -2.003   5.752
  211    HE2  PHE  27           HE2      PHE  27  -9.051  -2.392   4.306
  212    HZ   PHE  27           HZ       PHE  27  -6.995  -3.427   5.102
  213    H    LYS  28           HN       LYS  28  -6.268   4.489   3.772
  214    HA   LYS  28           HA       LYS  28  -8.116   6.420   4.424
  215   1HB   LYS  28          HB2       LYS  28  -5.523   6.711   2.920
  216   2HB   LYS  28          HB1       LYS  28  -6.444   8.071   3.550
  217   1HG   LYS  28          HG2       LYS  28  -6.153   7.296   5.804
  218   2HG   LYS  28          HG1       LYS  28  -5.374   5.819   5.235
  219   1HD   LYS  28          HD2       LYS  28  -3.546   7.163   4.289
  220   2HD   LYS  28          HD1       LYS  28  -4.326   8.627   4.890
  221   1HE   LYS  28          HE2       LYS  28  -4.087   7.856   7.174
  222   2HE   LYS  28          HE1       LYS  28  -3.394   6.334   6.615
  223   1HZ   LYS  28          HZ1       LYS  28  -1.725   7.963   7.390
  224   2HZ   LYS  28          HZ2       LYS  28  -2.180   9.005   6.130
  225   3HZ   LYS  28          HZ3       LYS  28  -1.489   7.499   5.777
  226    H    GLU  29           HN       GLU  29  -6.773   6.089   1.121
  227    HA   GLU  29           HA       GLU  29  -8.484   7.870  -0.075
  228   1HB   GLU  29          HB2       GLU  29  -6.370   6.863  -0.997
  229   2HB   GLU  29          HB1       GLU  29  -7.315   5.429  -1.390
  230   1HG   GLU  29          HG2       GLU  29  -8.799   6.815  -2.750
  231   2HG   GLU  29          HG1       GLU  29  -7.780   8.207  -2.391
  232    H    ARG  30           HN       ARG  30  -8.853   4.326   0.219
  233    HA   ARG  30           HA       ARG  30 -11.173   4.255  -1.416
  234   1HB   ARG  30          HB2       ARG  30 -10.157   2.244   0.592
  235   2HB   ARG  30          HB1       ARG  30 -11.472   1.950  -0.536
  236   1HG   ARG  30          HG2       ARG  30  -8.624   2.580  -1.292
  237   2HG   ARG  30          HG1       ARG  30  -9.365   0.980  -1.311
  238   1HD   ARG  30          HD2       ARG  30 -10.040   1.354  -3.389
  239   2HD   ARG  30          HD1       ARG  30 -11.053   2.671  -2.801
  240    HE   ARG  30           HE       ARG  30  -8.465   3.668  -3.069
  241   1HH1  ARG  30          HH11      ARG  30 -10.963   2.367  -5.167
  242   2HH1  ARG  30          HH12      ARG  30 -10.502   3.356  -6.517
  243   1HH2  ARG  30          HH21      ARG  30  -7.831   4.918  -4.862
  244   2HH2  ARG  30          HH22      ARG  30  -8.709   4.761  -6.368
  245    H    TYR  31           HN       TYR  31 -10.698   5.038   1.910
  246    HA   TYR  31           HA       TYR  31 -13.594   4.842   2.360
  247   1HB   TYR  31          HB2       TYR  31 -11.300   4.756   4.291
  248   2HB   TYR  31          HB1       TYR  31 -12.968   5.012   4.809
  249    HD1  TYR  31           HD1      TYR  31 -14.589   3.314   3.340
  250    HD2  TYR  31           HD2      TYR  31 -10.625   2.559   4.679
  251    HE1  TYR  31           HE1      TYR  31 -15.029   0.913   3.245
  252    HE2  TYR  31           HE2      TYR  31 -11.053   0.139   4.589
  253    HH   TYR  31           HH       TYR  31 -13.028  -1.380   4.701
  254    H    ASN  32           HN       ASN  32 -11.361   7.111   1.529
  255    HA   ASN  32           HA       ASN  32 -13.129   9.219   2.226
  256   1HB   ASN  32          HB2       ASN  32 -11.784   8.580   4.319
  257   2HB   ASN  32          HB1       ASN  32 -10.441   9.414   3.526
  258   1HD2  ASN  32          HD21      ASN  32 -13.696   9.777   4.709
  259   2HD2  ASN  32          HD22      ASN  32 -13.640  11.495   4.953
  260    H    MET  33           HN       MET  33 -11.709   8.168  -0.126
  261    HA   MET  33           HA       MET  33 -10.958   9.102  -2.067
  262   1HB   MET  33          HB2       MET  33 -13.323  10.708  -1.210
  263   2HB   MET  33          HB1       MET  33 -12.573  10.957  -2.780
  264   1HG   MET  33          HG2       MET  33 -12.905   8.563  -3.277
  265   2HG   MET  33          HG1       MET  33 -13.741   8.391  -1.736
  266   1HE   MET  33          HE1       MET  33 -16.515   8.157  -4.563
  267   2HE   MET  33          HE2       MET  33 -15.646   7.266  -3.313
  268   3HE   MET  33          HE3       MET  33 -14.823   7.724  -4.804
  269    HA   PRO  34           HA       PRO  34  -9.751  13.956  -1.450
  270   1HB   PRO  34          HB2       PRO  34  -9.876  13.583   1.526
  271   2HB   PRO  34          HB1       PRO  34  -9.958  15.075   0.583
  272   1HG   PRO  34          HG2       PRO  34 -12.175  13.927   1.505
  273   2HG   PRO  34          HG1       PRO  34 -12.136  14.687  -0.097
  274   1HD   PRO  34          HD2       PRO  34 -12.274  11.829   0.623
  275   2HD   PRO  34          HD1       PRO  34 -12.755  12.639  -0.879
  276    H    VAL  35           HN       VAL  35  -8.848  11.190   0.592
  277    HA   VAL  35           HA       VAL  35  -6.080  11.868   0.726
  278    HB   VAL  35           HB       VAL  35  -7.493   9.220   1.088
  279   1HG1  VAL  35          HG11      VAL  35  -5.354   8.380   1.968
  280   2HG1  VAL  35          HG12      VAL  35  -4.571   9.873   1.447
  281   3HG1  VAL  35          HG13      VAL  35  -5.266   8.774   0.250
  282   1HG2  VAL  35          HG21      VAL  35  -7.899  10.908   2.813
  283   2HG2  VAL  35          HG22      VAL  35  -6.160  11.087   3.045
  284   3HG2  VAL  35          HG23      VAL  35  -6.948   9.560   3.439
  285    H    ILE  36           HN       ILE  36  -4.663  11.887  -0.884
  286    HA   ILE  36           HA       ILE  36  -5.521  10.684  -3.409
  287    HB   ILE  36           HB       ILE  36  -3.568  12.926  -2.866
  288   1HG1  ILE  36          HG12      ILE  36  -6.211  12.938  -4.321
  289   2HG1  ILE  36          HG11      ILE  36  -6.025  13.396  -2.629
  290   1HG2  ILE  36          HG21      ILE  36  -4.409  11.698  -5.484
  291   2HG2  ILE  36          HG22      ILE  36  -2.782  11.690  -4.789
  292   3HG2  ILE  36          HG23      ILE  36  -3.511  13.206  -5.323
  293   1HD1  ILE  36          HD11      ILE  36  -4.551  15.225  -3.298
  294   2HD1  ILE  36          HD12      ILE  36  -6.129  15.344  -4.076
  295   3HD1  ILE  36          HD13      ILE  36  -4.738  14.755  -4.987
  296    H    ALA  37           HN       ALA  37  -4.747   8.582  -3.272
  297    HA   ALA  37           HA       ALA  37  -2.302   7.624  -2.607
  298   1HB   ALA  37          HB1       ALA  37  -2.631   5.836  -4.188
  299   2HB   ALA  37          HB2       ALA  37  -3.811   6.800  -5.075
  300   3HB   ALA  37          HB3       ALA  37  -4.169   6.260  -3.435
  301    H    GLU  38           HN       GLU  38  -3.033   9.381  -5.607
  302    HA   GLU  38           HA       GLU  38  -0.574   8.986  -6.884
  303   1HB   GLU  38          HB2       GLU  38  -2.613  11.180  -6.983
  304   2HB   GLU  38          HB1       GLU  38  -1.099  11.346  -7.860
  305   1HG   GLU  38          HG2       GLU  38  -3.036   9.073  -8.199
  306   2HG   GLU  38          HG1       GLU  38  -2.947  10.494  -9.239
  307    H    ALA  39           HN       ALA  39  -1.513  11.324  -4.419
  308    HA   ALA  39           HA       ALA  39   1.005  12.735  -4.660
  309   1HB   ALA  39          HB1       ALA  39  -1.224  13.134  -2.660
  310   2HB   ALA  39          HB2       ALA  39  -1.072  13.972  -4.204
  311   3HB   ALA  39          HB3       ALA  39   0.135  14.220  -2.942
  312    H    VAL  40           HN       VAL  40  -0.485  10.457  -2.265
  313    HA   VAL  40           HA       VAL  40   1.666  10.498  -0.522
  314    HB   VAL  40           HB       VAL  40   0.882   8.410   0.263
  315   1HG1  VAL  40          HG11      VAL  40  -0.480  10.347   0.804
  316   2HG1  VAL  40          HG12      VAL  40  -1.470   8.893   0.666
  317   3HG1  VAL  40          HG13      VAL  40  -1.447  10.074  -0.645
  318   1HG2  VAL  40          HG21      VAL  40  -0.835   7.107  -0.906
  319   2HG2  VAL  40          HG22      VAL  40   0.671   7.211  -1.814
  320   3HG2  VAL  40          HG23      VAL  40  -0.705   8.213  -2.274
  321    H    GLU  41           HN       GLU  41   1.205   8.985  -3.652
  322    HA   GLU  41           HA       GLU  41   3.585   7.448  -3.626
  323   1HB   GLU  41          HB2       GLU  41   1.730   7.252  -5.337
  324   2HB   GLU  41          HB1       GLU  41   2.324   8.747  -6.049
  325   1HG   GLU  41          HG2       GLU  41   4.607   7.365  -6.004
  326   2HG   GLU  41          HG1       GLU  41   3.467   6.026  -6.114
  327    H    ARG  42           HN       ARG  42   2.834  10.778  -4.739
  328    HA   ARG  42           HA       ARG  42   5.233  11.636  -5.533
  329   1HB   ARG  42          HB2       ARG  42   2.957  12.944  -4.252
  330   2HB   ARG  42          HB1       ARG  42   4.475  13.824  -4.143
  331   1HG   ARG  42          HG2       ARG  42   3.172  14.502  -6.090
  332   2HG   ARG  42          HG1       ARG  42   4.708  13.769  -6.559
  333   1HD   ARG  42          HD2       ARG  42   3.522  11.635  -6.939
  334   2HD   ARG  42          HD1       ARG  42   2.004  12.440  -6.558
  335    HE   ARG  42           HE       ARG  42   3.403  13.776  -8.647
  336   1HH1  ARG  42          HH11      ARG  42   1.394  11.005  -7.947
  337   2HH1  ARG  42          HH12      ARG  42   0.759  10.879  -9.560
  338   1HH2  ARG  42          HH21      ARG  42   2.605  13.623 -10.777
  339   2HH2  ARG  42          HH22      ARG  42   1.463  12.377 -11.185
  340    H    GLU  43           HN       GLU  43   4.317  11.170  -2.135
  341    HA   GLU  43           HA       GLU  43   6.850  12.359  -1.313
  342   1HB   GLU  43          HB2       GLU  43   5.920  12.208   0.980
  343   2HB   GLU  43          HB1       GLU  43   4.920  13.146  -0.119
  344   1HG   GLU  43          HG2       GLU  43   3.439  11.208  -0.396
  345   2HG   GLU  43          HG1       GLU  43   4.430  10.307   0.751
  346    H    GLN  44           HN       GLN  44   5.690   9.277  -2.016
  347    HA   GLN  44           HA       GLN  44   7.501   8.004  -0.094
  348   1HB   GLN  44          HB2       GLN  44   5.247   6.918  -1.771
  349   2HB   GLN  44          HB1       GLN  44   6.392   5.868  -0.947
  350   1HG   GLN  44          HG2       GLN  44   4.534   7.862   0.325
  351   2HG   GLN  44          HG1       GLN  44   4.412   6.104   0.390
  352   1HE2  GLN  44          HE21      GLN  44   5.891   4.946   1.654
  353   2HE2  GLN  44          HE22      GLN  44   6.809   5.705   2.912
  354    HA   PRO  45           HA       PRO  45  10.679   7.039  -2.925
  355   1HB   PRO  45          HB2       PRO  45  11.206   4.411  -2.303
  356   2HB   PRO  45          HB1       PRO  45  11.771   5.793  -1.361
  357   1HG   PRO  45          HG2       PRO  45   9.416   4.014  -0.887
  358   2HG   PRO  45          HG1       PRO  45  10.582   4.670   0.280
  359   1HD   PRO  45          HD2       PRO  45   8.141   5.733  -0.010
  360   2HD   PRO  45          HD1       PRO  45   9.560   6.748   0.317
  361    H    GLU  46           HN       GLU  46  10.802   6.521  -4.984
  362    HA   GLU  46           HA       GLU  46   8.727   5.150  -6.355
  363   1HB   GLU  46          HB2       GLU  46   9.889   6.895  -7.492
  364   2HB   GLU  46          HB1       GLU  46  11.449   6.145  -7.190
  365   1HG   GLU  46          HG2       GLU  46  10.972   4.381  -8.728
  366   2HG   GLU  46          HG1       GLU  46   9.310   4.944  -8.929
  367    H    HIS  47           HN       HIS  47  11.607   4.153  -4.821
  368    HA   HIS  47           HA       HIS  47  12.547   1.990  -6.152
  369   1HB   HIS  47          HB2       HIS  47  13.247   2.972  -3.878
  370   2HB   HIS  47          HB1       HIS  47  12.054   1.892  -3.174
  371    HD1  HIS  47           HD1      HIS  47  14.815   1.453  -2.227
  372    HD2  HIS  47           HD2      HIS  47  13.359  -0.378  -5.665
  373    HE1  HIS  47           HE1      HIS  47  16.336  -0.504  -2.647
  374    HE2  HIS  47           HE2      HIS  47  15.506  -1.543  -4.788
  375    H    LEU  48           HN       LEU  48   9.641   2.037  -4.103
  376    HA   LEU  48           HA       LEU  48   8.967  -0.644  -5.137
  377   1HB   LEU  48          HB2       LEU  48   8.024   0.791  -2.657
  378   2HB   LEU  48          HB1       LEU  48   7.236  -0.638  -3.279
  379    HG   LEU  48           HG       LEU  48   8.622  -1.232  -1.378
  380   1HD1  LEU  48          HD11      LEU  48   9.945  -2.123  -3.970
  381   2HD1  LEU  48          HD12      LEU  48   8.465  -2.807  -3.293
  382   3HD1  LEU  48          HD13      LEU  48   9.991  -2.955  -2.414
  383   1HD2  LEU  48          HD21      LEU  48  10.877   0.022  -2.973
  384   2HD2  LEU  48          HD22      LEU  48  11.051  -0.902  -1.478
  385   3HD2  LEU  48          HD23      LEU  48  10.160   0.625  -1.471
  386    H    ARG  49           HN       ARG  49   8.517   1.220  -6.990
  387    HA   ARG  49           HA       ARG  49   6.074   2.638  -6.714
  388   1HB   ARG  49          HB2       ARG  49   6.225   2.886  -9.223
  389   2HB   ARG  49          HB1       ARG  49   7.619   3.459  -8.317
  390   1HG   ARG  49          HG2       ARG  49   8.814   1.389  -8.854
  391   2HG   ARG  49          HG1       ARG  49   7.416   0.830  -9.773
  392   1HD   ARG  49          HD2       ARG  49   7.650   2.745 -11.277
  393   2HD   ARG  49          HD1       ARG  49   9.053   3.295 -10.357
  394    HE   ARG  49           HE       ARG  49   9.424   0.623 -11.224
  395   1HH1  ARG  49          HH11      ARG  49   9.417   3.918 -12.404
  396   2HH1  ARG  49          HH12      ARG  49  10.509   3.587 -13.715
  397   1HH2  ARG  49          HH21      ARG  49  10.834   0.171 -12.934
  398   2HH2  ARG  49          HH22      ARG  49  11.325   1.446 -14.019
  399    H    SER  50           HN       SER  50   6.792  -0.190  -8.752
  400    HA   SER  50           HA       SER  50   4.182  -0.905  -9.378
  401   1HB   SER  50          HB2       SER  50   6.333  -2.961  -8.904
  402   2HB   SER  50          HB1       SER  50   5.080  -2.939 -10.147
  403    HG   SER  50           HG       SER  50   7.398  -2.296 -10.679
  404    H    TRP  51           HN       TRP  51   6.156  -1.671  -6.628
  405    HA   TRP  51           HA       TRP  51   4.449  -3.538  -5.365
  406   1HB   TRP  51          HB2       TRP  51   6.712  -3.609  -4.785
  407   2HB   TRP  51          HB1       TRP  51   6.819  -1.856  -4.577
  408    HD1  TRP  51           HD1      TRP  51   5.688  -0.993  -2.043
  409    HE1  TRP  51           HE1      TRP  51   5.865  -2.282   0.160
  410    HE3  TRP  51           HE3      TRP  51   6.711  -5.585  -3.923
  411    HZ2  TRP  51           HZ2      TRP  51   6.427  -4.889   0.982
  412    HZ3  TRP  51           HZ3      TRP  51   7.080  -7.415  -2.401
  413    HH2  TRP  51           HH2      TRP  51   6.938  -7.111   0.040
  414    H    PHE  52           HN       PHE  52   4.973  -0.041  -4.764
  415    HA   PHE  52           HA       PHE  52   3.041   0.376  -2.843
  416   1HB   PHE  52          HB2       PHE  52   4.609   2.116  -3.853
  417   2HB   PHE  52          HB1       PHE  52   3.455   2.263  -5.175
  418    HD1  PHE  52           HD1      PHE  52   4.032   2.855  -1.605
  419    HD2  PHE  52           HD2      PHE  52   1.361   3.395  -4.872
  420    HE1  PHE  52           HE1      PHE  52   2.742   4.477  -0.276
  421    HE2  PHE  52           HE2      PHE  52   0.067   5.010  -3.548
  422    HZ   PHE  52           HZ       PHE  52   0.758   5.556  -1.252
  423    H    ARG  53           HN       ARG  53   2.611   0.475  -6.378
  424    HA   ARG  53           HA       ARG  53  -0.130   0.634  -6.554
  425   1HB   ARG  53          HB2       ARG  53   1.954  -0.707  -8.196
  426   2HB   ARG  53          HB1       ARG  53   0.277  -1.167  -8.483
  427   1HG   ARG  53          HG2       ARG  53  -0.239   1.243  -8.872
  428   2HG   ARG  53          HG1       ARG  53   1.482   1.599  -8.702
  429   1HD   ARG  53          HD2       ARG  53   1.945   0.049 -10.576
  430   2HD   ARG  53          HD1       ARG  53   0.210  -0.185 -10.778
  431    HE   ARG  53           HE       ARG  53   1.354   2.516 -10.994
  432   1HH1  ARG  53          HH11      ARG  53  -0.365  -0.191 -12.430
  433   2HH1  ARG  53          HH12      ARG  53  -0.733   0.662 -13.903
  434   1HH2  ARG  53          HH21      ARG  53   0.859   3.642 -12.913
  435   2HH2  ARG  53          HH22      ARG  53  -0.043   2.849 -14.177
  436    H    GLU  54           HN       GLU  54   1.803  -2.325  -6.341
  437    HA   GLU  54           HA       GLU  54  -0.320  -4.065  -6.524
  438   1HB   GLU  54          HB2       GLU  54   2.456  -4.349  -5.428
  439   2HB   GLU  54          HB1       GLU  54   1.330  -5.698  -5.357
  440   1HG   GLU  54          HG2       GLU  54   1.960  -4.274  -7.919
  441   2HG   GLU  54          HG1       GLU  54   2.934  -5.617  -7.316
  442    H    ARG  55           HN       ARG  55   1.118  -2.594  -3.665
  443    HA   ARG  55           HA       ARG  55  -0.350  -4.167  -1.792
  444   1HB   ARG  55          HB2       ARG  55   0.798  -1.399  -1.387
  445   2HB   ARG  55          HB1       ARG  55   0.349  -2.543  -0.132
  446   1HG   ARG  55          HG2       ARG  55   2.575  -2.902  -2.129
  447   2HG   ARG  55          HG1       ARG  55   2.764  -2.443  -0.439
  448   1HD   ARG  55          HD2       ARG  55   3.242  -4.739  -0.516
  449   2HD   ARG  55          HD1       ARG  55   1.609  -4.631   0.130
  450    HE   ARG  55           HE       ARG  55   1.214  -4.971  -2.534
  451   1HH1  ARG  55          HH11      ARG  55   3.057  -6.690  -0.118
  452   2HH1  ARG  55          HH12      ARG  55   2.885  -8.241  -0.886
  453   1HH2  ARG  55          HH21      ARG  55   0.970  -7.014  -3.573
  454   2HH2  ARG  55          HH22      ARG  55   1.705  -8.421  -2.866
  455    H    LEU  56           HN       LEU  56  -0.805  -0.942  -3.214
  456    HA   LEU  56           HA       LEU  56  -3.294  -0.316  -2.122
  457   1HB   LEU  56          HB2       LEU  56  -2.315   0.199  -4.938
  458   2HB   LEU  56          HB1       LEU  56  -3.696   0.980  -4.193
  459    HG   LEU  56           HG       LEU  56  -0.821   1.277  -3.293
  460   1HD1  LEU  56          HD11      LEU  56  -1.037   3.546  -4.188
  461   2HD1  LEU  56          HD12      LEU  56  -2.647   3.154  -4.794
  462   3HD1  LEU  56          HD13      LEU  56  -1.234   2.324  -5.446
  463   1HD2  LEU  56          HD21      LEU  56  -2.383   1.505  -1.441
  464   2HD2  LEU  56          HD22      LEU  56  -3.355   2.643  -2.374
  465   3HD2  LEU  56          HD23      LEU  56  -1.719   3.079  -1.881
  466    H    ILE  57           HN       ILE  57  -2.404  -2.364  -4.834
  467    HA   ILE  57           HA       ILE  57  -4.840  -2.841  -5.989
  468    HB   ILE  57           HB       ILE  57  -2.349  -4.486  -5.783
  469   1HG1  ILE  57          HG12      ILE  57  -2.243  -2.375  -7.043
  470   2HG1  ILE  57          HG11      ILE  57  -2.025  -3.771  -8.087
  471   1HG2  ILE  57          HG21      ILE  57  -3.191  -5.933  -7.513
  472   2HG2  ILE  57          HG22      ILE  57  -4.733  -5.076  -7.515
  473   3HG2  ILE  57          HG23      ILE  57  -4.238  -6.001  -6.096
  474   1HD1  ILE  57          HD11      ILE  57  -4.556  -2.172  -7.779
  475   2HD1  ILE  57          HD12      ILE  57  -4.346  -3.574  -8.825
  476   3HD1  ILE  57          HD13      ILE  57  -3.434  -2.098  -9.138
  477    H    ALA  58           HN       ALA  58  -3.179  -4.932  -3.608
  478    HA   ALA  58           HA       ALA  58  -5.459  -6.668  -3.335
  479   1HB   ALA  58          HB1       ALA  58  -3.025  -6.429  -1.556
  480   2HB   ALA  58          HB2       ALA  58  -3.125  -7.418  -3.012
  481   3HB   ALA  58          HB3       ALA  58  -4.153  -7.785  -1.627
  482    H    HIS  59           HN       HIS  59  -4.454  -3.739  -1.724
  483    HA   HIS  59           HA       HIS  59  -6.073  -4.237   0.598
  484   1HB   HIS  59          HB2       HIS  59  -4.394  -1.951  -0.317
  485   2HB   HIS  59          HB1       HIS  59  -5.617  -1.658   0.915
  486    HD1  HIS  59           HD1      HIS  59  -5.316  -2.941   3.198
  487    HD2  HIS  59           HD2      HIS  59  -2.139  -3.301   0.542
  488    HE1  HIS  59           HE1      HIS  59  -3.409  -3.853   4.551
  489    HE2  HIS  59           HE2      HIS  59  -1.493  -4.081   2.928
  490    H    ARG  60           HN       ARG  60  -6.441  -2.296  -2.371
  491    HA   ARG  60           HA       ARG  60  -9.068  -1.433  -1.636
  492   1HB   ARG  60          HB2       ARG  60  -9.363  -0.769  -3.968
  493   2HB   ARG  60          HB1       ARG  60  -7.806  -0.218  -3.372
  494   1HG   ARG  60          HG2       ARG  60  -6.669  -1.943  -4.579
  495   2HG   ARG  60          HG1       ARG  60  -8.199  -2.687  -5.045
  496   1HD   ARG  60          HD2       ARG  60  -7.419   0.120  -5.809
  497   2HD   ARG  60          HD1       ARG  60  -7.082  -1.287  -6.817
  498    HE   ARG  60           HE       ARG  60  -9.764  -1.450  -6.317
  499   1HH1  ARG  60          HH11      ARG  60  -7.657   0.994  -7.684
  500   2HH1  ARG  60          HH12      ARG  60  -8.868   1.626  -8.755
  501   1HH2  ARG  60          HH21      ARG  60 -11.373  -0.592  -7.710
  502   2HH2  ARG  60          HH22      ARG  60 -10.985   0.757  -8.735
  503    H    LEU  61           HN       LEU  61  -7.703  -4.098  -3.471
  504    HA   LEU  61           HA       LEU  61 -10.003  -5.424  -4.260
  505   1HB   LEU  61          HB2       LEU  61  -7.962  -6.190  -5.093
  506   2HB   LEU  61          HB1       LEU  61  -7.231  -6.271  -3.509
  507    HG   LEU  61           HG       LEU  61  -8.447  -8.293  -3.003
  508   1HD1  LEU  61          HD11      LEU  61  -9.643  -8.008  -5.764
  509   2HD1  LEU  61          HD12      LEU  61 -10.513  -7.846  -4.238
  510   3HD1  LEU  61          HD13      LEU  61  -9.831  -9.406  -4.703
  511   1HD2  LEU  61          HD21      LEU  61  -6.314  -8.480  -4.141
  512   2HD2  LEU  61          HD22      LEU  61  -7.124  -8.394  -5.704
  513   3HD2  LEU  61          HD23      LEU  61  -7.404  -9.774  -4.643
  514    H    ALA  62           HN       ALA  62  -8.414  -5.338  -1.110
  515    HA   ALA  62           HA       ALA  62 -10.202  -7.240   0.088
  516   1HB   ALA  62          HB1       ALA  62  -8.398  -5.219   1.418
  517   2HB   ALA  62          HB2       ALA  62  -7.943  -6.862   0.966
  518   3HB   ALA  62          HB3       ALA  62  -9.179  -6.596   2.196
  519    H    SER  63           HN       SER  63 -10.059  -3.729  -0.145
  520    HA   SER  63           HA       SER  63 -12.093  -3.264   1.817
  521   1HB   SER  63          HB2       SER  63 -10.359  -1.599   1.413
  522   2HB   SER  63          HB1       SER  63 -10.870  -1.429  -0.268
  523    HG   SER  63           HG       SER  63 -12.641  -0.948   1.886
  524    H    VAL  64           HN       VAL  64 -12.128  -3.674  -1.681
  525    HA   VAL  64           HA       VAL  64 -14.674  -2.412  -2.014
  526    HB   VAL  64           HB       VAL  64 -14.506  -3.154  -4.322
  527   1HG1  VAL  64          HG11      VAL  64 -11.979  -1.931  -3.258
  528   2HG1  VAL  64          HG12      VAL  64 -13.452  -1.077  -3.719
  529   3HG1  VAL  64          HG13      VAL  64 -12.490  -1.899  -4.947
  530   1HG2  VAL  64          HG21      VAL  64 -11.980  -4.544  -3.465
  531   2HG2  VAL  64          HG22      VAL  64 -12.506  -4.329  -5.136
  532   3HG2  VAL  64          HG23      VAL  64 -13.463  -5.316  -4.032
  533    H    ASN  65           HN       ASN  65 -13.704  -5.465  -0.927
  534    HA   ASN  65           HA       ASN  65 -15.822  -6.984  -2.154
  535   1HB   ASN  65          HB2       ASN  65 -13.671  -8.042  -1.618
  536   2HB   ASN  65          HB1       ASN  65 -13.885  -7.645   0.082
  537   1HD2  ASN  65          HD21      ASN  65 -13.755  -9.769   0.727
  538   2HD2  ASN  65          HD22      ASN  65 -15.018 -10.917   0.417
  539    H    LEU  66           HN       LEU  66 -14.992  -6.505   1.278
  540    HA   LEU  66           HA       LEU  66 -17.500  -6.667   2.397
  541   1HB   LEU  66          HB2       LEU  66 -15.245  -6.425   3.549
  542   2HB   LEU  66          HB1       LEU  66 -15.354  -4.705   3.215
  543    HG   LEU  66           HG       LEU  66 -15.952  -5.492   5.565
  544   1HD1  LEU  66          HD11      LEU  66 -17.404  -3.714   5.896
  545   2HD1  LEU  66          HD12      LEU  66 -18.202  -3.945   4.342
  546   3HD1  LEU  66          HD13      LEU  66 -16.575  -3.254   4.396
  547   1HD2  LEU  66          HD21      LEU  66 -18.479  -6.347   4.162
  548   2HD2  LEU  66          HD22      LEU  66 -18.240  -6.265   5.908
  549   3HD2  LEU  66          HD23      LEU  66 -17.310  -7.412   4.943
  550    H    SER  67           HN       SER  67 -15.962  -3.592   2.377
  551    HA   SER  67           HA       SER  67 -18.255  -2.084   2.293
  552   1HB   SER  67          HB2       SER  67 -15.473  -1.257   1.522
  553   2HB   SER  67          HB1       SER  67 -16.779  -0.177   1.997
  554    HG   SER  67           HG       SER  67 -15.057  -1.189   3.588
  555    H    ARG  68           HN       ARG  68 -19.698  -2.171   0.712
  556    HA   ARG  68           HA       ARG  68 -18.897  -2.704  -2.013
  557   1HB   ARG  68          HB2       ARG  68 -21.664  -2.270  -0.873
  558   2HB   ARG  68          HB1       ARG  68 -21.283  -2.937  -2.454
  559   1HG   ARG  68          HG2       ARG  68 -20.251  -4.874  -1.406
  560   2HG   ARG  68          HG1       ARG  68 -20.584  -4.197   0.190
  561   1HD   ARG  68          HD2       ARG  68 -22.603  -5.057  -1.876
  562   2HD   ARG  68          HD1       ARG  68 -22.259  -5.845  -0.338
  563    HE   ARG  68           HE       ARG  68 -23.502  -3.180  -0.603
  564   1HH1  ARG  68          HH11      ARG  68 -22.997  -6.170   1.139
  565   2HH1  ARG  68          HH12      ARG  68 -24.251  -5.857   2.302
  566   1HH2  ARG  68          HH21      ARG  68 -25.135  -2.741   0.945
  567   2HH2  ARG  68          HH22      ARG  68 -25.444  -3.883   2.215
  568    H    LEU  69           HN       LEU  69 -20.807  -0.167  -0.355
  569    HA   LEU  69           HA       LEU  69 -20.027   1.619  -2.550
  570   1HB   LEU  69          HB2       LEU  69 -22.230   2.654  -2.580
  571   2HB   LEU  69          HB1       LEU  69 -22.304   0.956  -2.996
  572    HG   LEU  69           HG       LEU  69 -22.975   1.960  -0.234
  573   1HD1  LEU  69          HD11      LEU  69 -24.830   1.556  -2.575
  574   2HD1  LEU  69          HD12      LEU  69 -24.421   3.097  -1.820
  575   3HD1  LEU  69          HD13      LEU  69 -25.322   1.882  -0.912
  576   1HD2  LEU  69          HD21      LEU  69 -24.208  -0.133  -0.074
  577   2HD2  LEU  69          HD22      LEU  69 -22.513  -0.440  -0.451
  578   3HD2  LEU  69          HD23      LEU  69 -23.734  -0.557  -1.720
  579    HA   PRO  70           HA       PRO  70 -19.277   4.199   1.067
  580   1HB   PRO  70          HB2       PRO  70 -16.575   3.867   1.314
  581   2HB   PRO  70          HB1       PRO  70 -17.763   2.972   2.263
  582   1HG   PRO  70          HG2       PRO  70 -15.994   1.983   0.217
  583   2HG   PRO  70          HG1       PRO  70 -17.123   1.070   1.229
  584   1HD   PRO  70          HD2       PRO  70 -17.435   2.011  -1.547
  585   2HD   PRO  70          HD1       PRO  70 -18.306   0.727  -0.684
  586    H    TYR  71           HN       TYR  71 -19.284   4.311  -1.857
  587    HA   TYR  71           HA       TYR  71 -17.045   6.135  -2.351
  588   1HB   TYR  71          HB2       TYR  71 -18.418   4.194  -4.176
  589   2HB   TYR  71          HB1       TYR  71 -17.368   5.482  -4.761
  590    HD1  TYR  71           HD1      TYR  71 -16.527   4.098  -1.534
  591    HD2  TYR  71           HD2      TYR  71 -15.982   3.700  -5.739
  592    HE1  TYR  71           HE1      TYR  71 -14.568   2.666  -1.143
  593    HE2  TYR  71           HE2      TYR  71 -14.070   2.262  -5.354
  594    HH   TYR  71           HH       TYR  71 -12.398   1.803  -3.652
  595    H    GLU  72           HN       GLU  72 -20.423   5.496  -3.260
  596    HA   GLU  72           HA       GLU  72 -20.864   8.268  -3.625
  597   1HB   GLU  72          HB2       GLU  72 -21.916   7.981  -5.817
  598   2HB   GLU  72          HB1       GLU  72 -20.230   7.509  -5.860
  599   1HG   GLU  72          HG2       GLU  72 -22.498   5.548  -5.611
  600   2HG   GLU  72          HG1       GLU  72 -21.787   6.037  -7.145
  601    HA   PRO  73           HA       PRO  73 -23.959   6.421  -1.084
  602   1HB   PRO  73          HB2       PRO  73 -24.933   9.201  -0.783
  603   2HB   PRO  73          HB1       PRO  73 -24.418   8.055   0.460
  604   1HG   PRO  73          HG2       PRO  73 -22.907  10.172  -0.231
  605   2HG   PRO  73          HG1       PRO  73 -22.192   8.622   0.252
  606   1HD   PRO  73          HD2       PRO  73 -22.544   9.779  -2.483
  607   2HD   PRO  73          HD1       PRO  73 -21.187   8.847  -1.821
  608    H    LYS  74           HN       LYS  74 -25.359   5.396  -2.318
  609    HA   LYS  74           HA       LYS  74 -26.946   4.865  -3.822
  610   1HB   LYS  74          HB2       LYS  74 -28.180   6.784  -2.504
  611   2HB   LYS  74          HB1       LYS  74 -27.943   7.685  -3.999
  612   1HG   LYS  74          HG2       LYS  74 -30.132   6.568  -3.907
  613   2HG   LYS  74          HG1       LYS  74 -29.136   5.989  -5.246
  614   1HD   LYS  74          HD2       LYS  74 -28.468   4.047  -3.910
  615   2HD   LYS  74          HD1       LYS  74 -29.470   4.619  -2.578
  616   1HE   LYS  74          HE2       LYS  74 -30.492   3.897  -5.321
  617   2HE   LYS  74          HE1       LYS  74 -30.548   2.836  -3.916
  618   1HZ   LYS  74          HZ1       LYS  74 -32.658   3.919  -4.201
  619   2HZ   LYS  74          HZ2       LYS  74 -31.937   5.448  -4.215
  620   3HZ   LYS  74          HZ3       LYS  74 -31.928   4.523  -2.796
  621    H    LEU  75           HN       LEU  75 -26.101   4.352  -5.663
  622    HA   LEU  75           HA       LEU  75 -24.116   5.549  -6.990
  623   1HB   LEU  75          HB2       LEU  75 -26.218   3.665  -7.984
  624   2HB   LEU  75          HB1       LEU  75 -24.907   4.202  -9.015
  625    HG   LEU  75           HG       LEU  75 -23.306   3.268  -7.297
  626   1HD1  LEU  75          HD11      LEU  75 -24.764   3.160  -5.374
  627   2HD1  LEU  75          HD12      LEU  75 -24.196   1.543  -5.785
  628   3HD1  LEU  75          HD13      LEU  75 -25.835   2.037  -6.214
  629   1HD2  LEU  75          HD21      LEU  75 -23.823   2.118  -9.379
  630   2HD2  LEU  75          HD22      LEU  75 -25.214   1.347  -8.616
  631   3HD2  LEU  75          HD23      LEU  75 -23.583   0.973  -8.059
  632    H    LYS  76           HN       LYS  76 -23.812   7.003  -8.570
  633    HA   LYS  76           HA       LYS  76 -26.141   8.597  -9.348
  634   1HB   LYS  76          HB2       LYS  76 -23.193   9.250  -9.609
  635   2HB   LYS  76          HB1       LYS  76 -24.527  10.335  -9.970
  636   1HG   LYS  76          HG2       LYS  76 -23.755   9.256  -7.271
  637   2HG   LYS  76          HG1       LYS  76 -23.589  10.916  -7.844
  638   1HD   LYS  76          HD2       LYS  76 -26.054  11.032  -8.077
  639   2HD   LYS  76          HD1       LYS  76 -26.163   9.416  -7.375
  640   1HE   LYS  76          HE2       LYS  76 -25.080  11.900  -6.059
  641   2HE   LYS  76          HE1       LYS  76 -26.578  11.059  -5.665
  642   1HZ   LYS  76          HZ1       LYS  76 -24.844  10.523  -4.087
  643   2HZ   LYS  76          HZ2       LYS  76 -23.830   9.981  -5.329
  644   3HZ   LYS  76          HZ3       LYS  76 -25.260   9.138  -4.978
  Start of MODEL    5
    1   1H    MET   1           HT1      MET   1  31.885 -19.245   5.461
    2   2H    MET   1           HT2      MET   1  31.553 -18.941   3.827
    3   3H    MET   1           HT3      MET   1  31.100 -20.419   4.517
    4    HA   MET   1           HA       MET   1  29.183 -19.016   4.264
    5   1HB   MET   1          HB2       MET   1  30.124 -19.360   7.117
    6   2HB   MET   1          HB1       MET   1  28.484 -18.901   6.680
    7   1HG   MET   1          HG2       MET   1  29.863 -21.466   5.927
    8   2HG   MET   1          HG1       MET   1  28.638 -21.272   7.181
    9   1HE   MET   1          HE1       MET   1  28.415 -23.452   4.895
   10   2HE   MET   1          HE2       MET   1  26.720 -23.287   4.437
   11   3HE   MET   1          HE3       MET   1  27.186 -23.214   6.135
   12    H    LEU   2           HN       LEU   2  28.814 -17.011   3.658
   13    HA   LEU   2           HA       LEU   2  29.068 -14.811   5.430
   14   1HB   LEU   2          HB2       LEU   2  31.442 -15.043   4.729
   15   2HB   LEU   2          HB1       LEU   2  30.947 -14.833   3.060
   16    HG   LEU   2           HG       LEU   2  30.137 -12.554   3.621
   17   1HD1  LEU   2          HD11      LEU   2  31.404 -13.117   6.297
   18   2HD1  LEU   2          HD12      LEU   2  29.685 -12.887   5.987
   19   3HD1  LEU   2          HD13      LEU   2  30.810 -11.550   5.748
   20   1HD2  LEU   2          HD21      LEU   2  32.348 -11.540   3.820
   21   2HD2  LEU   2          HD22      LEU   2  32.373 -12.891   2.687
   22   3HD2  LEU   2          HD23      LEU   2  33.023 -13.092   4.315
   23    H    LYS   3           HN       LYS   3  29.427 -15.137   1.912
   24    HA   LYS   3           HA       LYS   3  27.036 -13.498   1.568
   25   1HB   LYS   3          HB2       LYS   3  27.759 -13.425  -0.841
   26   2HB   LYS   3          HB1       LYS   3  28.872 -12.683   0.298
   27   1HG   LYS   3          HG2       LYS   3  30.313 -14.633   0.198
   28   2HG   LYS   3          HG1       LYS   3  29.174 -15.437  -0.887
   29   1HD   LYS   3          HD2       LYS   3  29.503 -13.614  -2.521
   30   2HD   LYS   3          HD1       LYS   3  30.703 -12.897  -1.443
   31   1HE   LYS   3          HE2       LYS   3  32.071 -14.913  -1.619
   32   2HE   LYS   3          HE1       LYS   3  30.865 -15.641  -2.681
   33   1HZ   LYS   3          HZ1       LYS   3  32.677 -14.718  -3.955
   34   2HZ   LYS   3          HZ2       LYS   3  32.448 -13.195  -3.258
   35   3HZ   LYS   3          HZ3       LYS   3  31.259 -13.851  -4.271
   36    H    ASN   4           HN       ASN   4  25.609 -15.188   2.229
   37    HA   ASN   4           HA       ASN   4  25.438 -17.492   0.444
   38   1HB   ASN   4          HB2       ASN   4  24.052 -16.894   3.064
   39   2HB   ASN   4          HB1       ASN   4  23.721 -18.318   2.087
   40   1HD2  ASN   4          HD21      ASN   4  24.405 -19.770   3.606
   41   2HD2  ASN   4          HD22      ASN   4  26.064 -19.947   4.064
   42    H    LEU   5           HN       LEU   5  24.860 -15.759  -1.160
   43    HA   LEU   5           HA       LEU   5  23.415 -14.574  -2.429
   44   1HB   LEU   5          HB2       LEU   5  21.355 -16.030  -3.052
   45   2HB   LEU   5          HB1       LEU   5  22.969 -16.511  -3.519
   46    HG   LEU   5           HG       LEU   5  22.824 -17.907  -1.263
   47   1HD1  LEU   5          HD11      LEU   5  19.944 -17.739  -2.133
   48   2HD1  LEU   5          HD12      LEU   5  20.607 -17.075  -0.639
   49   3HD1  LEU   5          HD13      LEU   5  20.607 -18.818  -0.904
   50   1HD2  LEU   5          HD21      LEU   5  22.083 -19.815  -2.615
   51   2HD2  LEU   5          HD22      LEU   5  23.263 -18.819  -3.463
   52   3HD2  LEU   5          HD23      LEU   5  21.555 -18.704  -3.877
   53    H    ALA   6           HN       ALA   6  23.030 -12.885  -0.926
   54    HA   ALA   6           HA       ALA   6  20.521 -12.889   0.514
   55   1HB   ALA   6          HB1       ALA   6  22.441 -11.705   1.439
   56   2HB   ALA   6          HB2       ALA   6  21.111 -10.591   1.121
   57   3HB   ALA   6          HB3       ALA   6  22.490 -10.657   0.025
   58    H    LYS   7           HN       LYS   7  18.683 -11.728  -0.020
   59    HA   LYS   7           HA       LYS   7  18.457 -11.126  -2.876
   60   1HB   LYS   7          HB2       LYS   7  16.430 -11.771  -0.748
   61   2HB   LYS   7          HB1       LYS   7  15.946 -11.073  -2.284
   62   1HG   LYS   7          HG2       LYS   7  15.642 -13.408  -2.461
   63   2HG   LYS   7          HG1       LYS   7  17.071 -13.009  -3.413
   64   1HD   LYS   7          HD2       LYS   7  17.508 -15.011  -2.162
   65   2HD   LYS   7          HD1       LYS   7  18.481 -13.705  -1.489
   66   1HE   LYS   7          HE2       LYS   7  17.479 -15.061   0.275
   67   2HE   LYS   7          HE1       LYS   7  16.857 -13.410   0.308
   68   1HZ   LYS   7          HZ1       LYS   7  15.142 -15.152   0.603
   69   2HZ   LYS   7          HZ2       LYS   7  15.452 -15.691  -0.977
   70   3HZ   LYS   7          HZ3       LYS   7  14.840 -14.127  -0.714
   71    H    LEU   8           HN       LEU   8  17.237  -9.765   0.187
   72    HA   LEU   8           HA       LEU   8  17.223  -7.126  -1.117
   73   1HB   LEU   8          HB2       LEU   8  15.748  -8.094   1.337
   74   2HB   LEU   8          HB1       LEU   8  15.755  -6.432   0.786
   75    HG   LEU   8           HG       LEU   8  13.716  -7.285   0.028
   76   1HD1  LEU   8          HD11      LEU   8  13.888  -7.366  -2.409
   77   2HD1  LEU   8          HD12      LEU   8  15.635  -7.554  -2.277
   78   3HD1  LEU   8          HD13      LEU   8  14.864  -6.070  -1.722
   79   1HD2  LEU   8          HD21      LEU   8  14.121  -9.637   0.465
   80   2HD2  LEU   8          HD22      LEU   8  15.171  -9.737  -0.951
   81   3HD2  LEU   8          HD23      LEU   8  13.448  -9.407  -1.149
   82    H    ASP   9           HN       ASP   9  18.770  -5.745  -0.598
   83    HA   ASP   9           HA       ASP   9  20.410  -6.328   1.756
   84   1HB   ASP   9          HB2       ASP   9  21.422  -6.243  -0.552
   85   2HB   ASP   9          HB1       ASP   9  21.071  -4.520  -0.552
   86    H    GLN  10           HN       GLN  10  17.973  -4.571   0.998
   87    HA   GLN  10           HA       GLN  10  17.961  -3.058   3.284
   88   1HB   GLN  10          HB2       GLN  10  19.703  -1.741   1.992
   89   2HB   GLN  10          HB1       GLN  10  18.429  -1.306   0.862
   90   1HG   GLN  10          HG2       GLN  10  17.176  -0.297   2.755
   91   2HG   GLN  10          HG1       GLN  10  18.569  -0.615   3.786
   92   1HE2  GLN  10          HE21      GLN  10  17.244   1.363   1.289
   93   2HE2  GLN  10          HE22      GLN  10  18.526   2.525   1.244
   94    H    THR  11           HN       THR  11  16.588  -4.313   0.574
   95    HA   THR  11           HA       THR  11  14.557  -2.248   0.177
   96    HB   THR  11           HB       THR  11  14.896  -4.812  -1.404
   97    HG1  THR  11           HG1      THR  11  16.101  -2.244  -1.717
   98   1HG2  THR  11          HG21      THR  11  12.733  -3.681  -1.691
   99   2HG2  THR  11          HG22      THR  11  13.705  -3.600  -3.161
  100   3HG2  THR  11          HG23      THR  11  13.567  -2.189  -2.109
  101    H    GLU  12           HN       GLU  12  14.859  -4.985   2.160
  102    HA   GLU  12           HA       GLU  12  12.115  -5.655   2.031
  103   1HB   GLU  12          HB2       GLU  12  12.596  -6.941   4.062
  104   2HB   GLU  12          HB1       GLU  12  13.769  -7.253   2.791
  105   1HG   GLU  12          HG2       GLU  12  15.390  -5.850   3.857
  106   2HG   GLU  12          HG1       GLU  12  14.216  -5.351   5.074
  107    H    MET  13           HN       MET  13  14.064  -3.357   3.502
  108    HA   MET  13           HA       MET  13  12.149  -2.501   5.480
  109   1HB   MET  13          HB2       MET  13  13.978  -1.538   6.380
  110   2HB   MET  13          HB1       MET  13  14.933  -2.136   5.035
  111   1HG   MET  13          HG2       MET  13  14.321  -0.080   3.779
  112   2HG   MET  13          HG1       MET  13  13.559   0.530   5.246
  113   1HE   MET  13          HE1       MET  13  14.935   0.906   7.544
  114   2HE   MET  13          HE2       MET  13  16.675   0.665   7.678
  115   3HE   MET  13          HE3       MET  13  15.609  -0.717   7.426
  116    H    ASP  14           HN       ASP  14  13.546  -1.504   2.407
  117    HA   ASP  14           HA       ASP  14  12.077   0.593   1.725
  118   1HB   ASP  14          HB2       ASP  14  13.740  -1.242   0.485
  119   2HB   ASP  14          HB1       ASP  14  12.269  -1.254  -0.471
  120    H    LYS  15           HN       LYS  15  11.188  -2.758   1.035
  121    HA   LYS  15           HA       LYS  15   8.706  -2.268  -0.122
  122   1HB   LYS  15          HB2       LYS  15   8.399  -4.585  -0.161
  123   2HB   LYS  15          HB1       LYS  15  10.136  -4.360  -0.265
  124   1HG   LYS  15          HG2       LYS  15  10.305  -4.869   2.146
  125   2HG   LYS  15          HG1       LYS  15   8.569  -5.187   2.168
  126   1HD   LYS  15          HD2       LYS  15   8.960  -6.903   0.381
  127   2HD   LYS  15          HD1       LYS  15  10.690  -6.671   0.628
  128   1HE   LYS  15          HE2       LYS  15  10.102  -8.551   1.921
  129   2HE   LYS  15          HE1       LYS  15  10.285  -7.221   3.063
  130   1HZ   LYS  15          HZ1       LYS  15   7.831  -6.952   2.969
  131   2HZ   LYS  15          HZ2       LYS  15   8.335  -8.433   3.616
  132   3HZ   LYS  15          HZ3       LYS  15   7.746  -8.362   2.028
  133    H    VAL  16           HN       VAL  16   9.422  -3.160   3.321
  134    HA   VAL  16           HA       VAL  16   6.732  -3.333   4.033
  135    HB   VAL  16           HB       VAL  16   7.531  -2.990   6.332
  136   1HG1  VAL  16          HG11      VAL  16   8.850  -5.068   6.445
  137   2HG1  VAL  16          HG12      VAL  16   9.010  -5.010   4.689
  138   3HG1  VAL  16          HG13      VAL  16   7.420  -5.208   5.425
  139   1HG2  VAL  16          HG21      VAL  16   9.926  -2.923   6.809
  140   2HG2  VAL  16          HG22      VAL  16   9.371  -1.478   5.966
  141   3HG2  VAL  16          HG23      VAL  16  10.239  -2.734   5.083
  142    H    ASN  17           HN       ASN  17   8.995  -0.631   4.084
  143    HA   ASN  17           HA       ASN  17   7.336   1.281   5.242
  144   1HB   ASN  17          HB2       ASN  17   9.562   1.522   3.229
  145   2HB   ASN  17          HB1       ASN  17   8.670   2.933   3.784
  146   1HD2  ASN  17          HD21      ASN  17   8.311   1.839   6.477
  147   2HD2  ASN  17          HD22      ASN  17   9.845   1.999   7.254
  148    H    VAL  18           HN       VAL  18   7.670   0.415   1.765
  149    HA   VAL  18           HA       VAL  18   5.752   2.362   1.048
  150    HB   VAL  18           HB       VAL  18   6.938   0.189  -0.610
  151   1HG1  VAL  18          HG11      VAL  18   6.158   1.572  -2.508
  152   2HG1  VAL  18          HG12      VAL  18   5.312   2.621  -1.369
  153   3HG1  VAL  18          HG13      VAL  18   4.821   0.937  -1.550
  154   1HG2  VAL  18          HG21      VAL  18   7.578   3.126  -0.314
  155   2HG2  VAL  18          HG22      VAL  18   8.340   2.023  -1.458
  156   3HG2  VAL  18          HG23      VAL  18   8.563   1.786   0.275
  157    H    ASP  19           HN       ASP  19   5.640  -0.966   1.934
  158    HA   ASP  19           HA       ASP  19   3.064  -1.605   0.906
  159   1HB   ASP  19          HB2       ASP  19   4.815  -3.254   1.734
  160   2HB   ASP  19          HB1       ASP  19   4.369  -2.783   3.368
  161    H    LEU  20           HN       LEU  20   4.185  -0.733   4.171
  162    HA   LEU  20           HA       LEU  20   1.672  -0.589   5.376
  163   1HB   LEU  20          HB2       LEU  20   4.369   0.469   6.009
  164   2HB   LEU  20          HB1       LEU  20   3.012   1.184   6.858
  165    HG   LEU  20           HG       LEU  20   2.377  -1.021   7.727
  166   1HD1  LEU  20          HD11      LEU  20   3.831  -2.949   7.434
  167   2HD1  LEU  20          HD12      LEU  20   4.855  -2.024   6.334
  168   3HD1  LEU  20          HD13      LEU  20   3.192  -2.402   5.881
  169   1HD2  LEU  20          HD21      LEU  20   4.269  -1.331   9.237
  170   2HD2  LEU  20          HD22      LEU  20   3.891   0.378   9.018
  171   3HD2  LEU  20          HD23      LEU  20   5.274  -0.333   8.187
  172    H    ALA  21           HN       ALA  21   3.551   1.910   3.685
  173    HA   ALA  21           HA       ALA  21   1.816   4.058   4.201
  174   1HB   ALA  21          HB1       ALA  21   3.518   3.578   1.761
  175   2HB   ALA  21          HB2       ALA  21   4.071   4.312   3.265
  176   3HB   ALA  21          HB3       ALA  21   2.858   5.127   2.280
  177    H    ALA  22           HN       ALA  22   1.934   1.781   1.467
  178    HA   ALA  22           HA       ALA  22  -0.282   2.878   0.099
  179   1HB   ALA  22          HB1       ALA  22   0.842   0.087  -0.088
  180   2HB   ALA  22          HB2       ALA  22   1.421   1.488  -0.990
  181   3HB   ALA  22          HB3       ALA  22  -0.210   0.874  -1.264
  182    H    ALA  23           HN       ALA  23  -0.065   0.800   2.834
  183    HA   ALA  23           HA       ALA  23  -2.626  -0.479   2.483
  184   1HB   ALA  23          HB1       ALA  23  -2.254  -1.342   4.723
  185   2HB   ALA  23          HB2       ALA  23  -0.899  -0.234   4.945
  186   3HB   ALA  23          HB3       ALA  23  -0.788  -1.538   3.759
  187    H    GLY  24           HN       GLY  24  -1.182   2.095   4.338
  188   1HA   GLY  24          HA2       GLY  24  -3.466   2.690   5.891
  189   2HA   GLY  24          HA1       GLY  24  -2.046   3.706   5.671
  190    H    VAL  25           HN       VAL  25  -2.002   4.063   3.015
  191    HA   VAL  25           HA       VAL  25  -3.833   6.137   2.582
  192    HB   VAL  25           HB       VAL  25  -2.067   4.629   0.655
  193   1HG1  VAL  25          HG11      VAL  25  -3.953   5.647  -0.536
  194   2HG1  VAL  25          HG12      VAL  25  -2.426   6.437  -0.920
  195   3HG1  VAL  25          HG13      VAL  25  -3.560   7.204   0.189
  196   1HG2  VAL  25          HG21      VAL  25  -1.794   7.238   2.135
  197   2HG2  VAL  25          HG22      VAL  25  -0.753   6.786   0.782
  198   3HG2  VAL  25          HG23      VAL  25  -0.770   5.807   2.259
  199    H    ALA  26           HN       ALA  26  -3.705   2.867   1.132
  200    HA   ALA  26           HA       ALA  26  -5.897   2.932  -0.478
  201   1HB   ALA  26          HB1       ALA  26  -5.173   0.618   1.308
  202   2HB   ALA  26          HB2       ALA  26  -4.414   0.987  -0.240
  203   3HB   ALA  26          HB3       ALA  26  -6.120   0.541  -0.176
  204    H    PHE  27           HN       PHE  27  -5.974   2.102   3.009
  205    HA   PHE  27           HA       PHE  27  -8.783   1.807   3.106
  206   1HB   PHE  27          HB2       PHE  27  -6.696   2.283   5.212
  207   2HB   PHE  27          HB1       PHE  27  -8.406   2.236   5.629
  208    HD1  PHE  27           HD1      PHE  27  -5.691   0.251   4.057
  209    HD2  PHE  27           HD2      PHE  27  -9.505   0.207   5.932
  210    HE1  PHE  27           HE1      PHE  27  -5.605  -2.204   4.160
  211    HE2  PHE  27           HE2      PHE  27  -9.426  -2.249   6.039
  212    HZ   PHE  27           HZ       PHE  27  -7.475  -3.456   5.153
  213    H    LYS  28           HN       LYS  28  -6.762   4.567   4.145
  214    HA   LYS  28           HA       LYS  28  -8.668   6.416   4.790
  215   1HB   LYS  28          HB2       LYS  28  -6.178   6.931   3.189
  216   2HB   LYS  28          HB1       LYS  28  -7.131   8.167   3.996
  217   1HG   LYS  28          HG2       LYS  28  -5.687   5.896   5.345
  218   2HG   LYS  28          HG1       LYS  28  -5.152   7.574   5.281
  219   1HD   LYS  28          HD2       LYS  28  -7.209   8.235   6.496
  220   2HD   LYS  28          HD1       LYS  28  -7.646   6.529   6.624
  221   1HE   LYS  28          HE2       LYS  28  -5.615   6.085   7.884
  222   2HE   LYS  28          HE1       LYS  28  -5.124   7.771   7.721
  223   1HZ   LYS  28          HZ1       LYS  28  -6.088   7.441   9.867
  224   2HZ   LYS  28          HZ2       LYS  28  -7.480   6.734   9.205
  225   3HZ   LYS  28          HZ3       LYS  28  -7.164   8.382   8.949
  226    H    GLU  29           HN       GLU  29  -7.313   6.173   1.533
  227    HA   GLU  29           HA       GLU  29  -8.875   8.052   0.290
  228   1HB   GLU  29          HB2       GLU  29  -6.850   6.870  -0.612
  229   2HB   GLU  29          HB1       GLU  29  -7.874   5.470  -0.917
  230   1HG   GLU  29          HG2       GLU  29  -9.296   6.940  -2.327
  231   2HG   GLU  29          HG1       GLU  29  -8.061   8.182  -2.144
  232    H    ARG  30           HN       ARG  30  -9.357   4.553   0.440
  233    HA   ARG  30           HA       ARG  30 -11.625   4.493  -1.239
  234   1HB   ARG  30          HB2       ARG  30  -9.946   2.626  -0.635
  235   2HB   ARG  30          HB1       ARG  30 -10.975   2.359   0.766
  236   1HG   ARG  30          HG2       ARG  30 -11.871   0.866  -0.709
  237   2HG   ARG  30          HG1       ARG  30 -12.878   2.282  -1.023
  238   1HD   ARG  30          HD2       ARG  30 -10.810   0.999  -2.712
  239   2HD   ARG  30          HD1       ARG  30 -12.335   1.755  -3.162
  240    HE   ARG  30           HE       ARG  30  -9.832   3.200  -2.594
  241   1HH1  ARG  30          HH11      ARG  30 -13.046   3.111  -3.989
  242   2HH1  ARG  30          HH12      ARG  30 -12.810   4.562  -4.921
  243   1HH2  ARG  30          HH21      ARG  30  -9.521   5.104  -3.847
  244   2HH2  ARG  30          HH22      ARG  30 -10.838   5.683  -4.834
  245    H    TYR  31           HN       TYR  31 -11.304   4.253   2.309
  246    HA   TYR  31           HA       TYR  31 -14.137   3.938   2.649
  247   1HB   TYR  31          HB2       TYR  31 -11.840   4.261   4.549
  248   2HB   TYR  31          HB1       TYR  31 -13.509   4.334   5.121
  249    HD1  TYR  31           HD1      TYR  31 -14.878   2.322   3.538
  250    HD2  TYR  31           HD2      TYR  31 -10.970   2.257   5.202
  251    HE1  TYR  31           HE1      TYR  31 -14.959  -0.134   3.624
  252    HE2  TYR  31           HE2      TYR  31 -11.029  -0.188   5.292
  253    HH   TYR  31           HH       TYR  31 -13.454  -2.018   3.699
  254    H    ASN  32           HN       ASN  32 -12.241   6.531   1.938
  255    HA   ASN  32           HA       ASN  32 -13.457   8.329   0.975
  256   1HB   ASN  32          HB2       ASN  32 -15.651   7.742   1.923
  257   2HB   ASN  32          HB1       ASN  32 -15.126   8.329   3.497
  258   1HD2  ASN  32          HD21      ASN  32 -14.566   9.728   0.299
  259   2HD2  ASN  32          HD22      ASN  32 -15.401  11.215   0.612
  260    H    MET  33           HN       MET  33 -11.581   9.277   1.034
  261    HA   MET  33           HA       MET  33 -11.267  11.346   3.018
  262   1HB   MET  33          HB2       MET  33 -10.208   9.361   4.131
  263   2HB   MET  33          HB1       MET  33  -9.080   9.262   2.789
  264   1HG   MET  33          HG2       MET  33  -7.983  10.331   4.601
  265   2HG   MET  33          HG1       MET  33  -8.290  11.546   3.363
  266   1HE   MET  33          HE1       MET  33  -7.794  13.467   5.118
  267   2HE   MET  33          HE2       MET  33  -7.485  12.253   6.360
  268   3HE   MET  33          HE3       MET  33  -8.590  13.586   6.689
  269    HA   PRO  34           HA       PRO  34  -9.374  13.243  -0.610
  270   1HB   PRO  34          HB2       PRO  34  -8.016  14.968   1.372
  271   2HB   PRO  34          HB1       PRO  34  -9.066  15.417   0.025
  272   1HG   PRO  34          HG2       PRO  34  -9.920  15.588   2.547
  273   2HG   PRO  34          HG1       PRO  34 -11.002  15.053   1.246
  274   1HD   PRO  34          HD2       PRO  34  -9.565  13.424   3.307
  275   2HD   PRO  34          HD1       PRO  34 -11.227  13.264   2.701
  276    H    VAL  35           HN       VAL  35  -8.071  11.075   1.116
  277    HA   VAL  35           HA       VAL  35  -5.253  11.579   0.878
  278    HB   VAL  35           HB       VAL  35  -6.977   9.389   1.960
  279   1HG1  VAL  35          HG11      VAL  35  -5.485   8.200   0.390
  280   2HG1  VAL  35          HG12      VAL  35  -5.199   7.791   2.084
  281   3HG1  VAL  35          HG13      VAL  35  -4.094   8.883   1.237
  282   1HG2  VAL  35          HG21      VAL  35  -5.398   9.557   3.820
  283   2HG2  VAL  35          HG22      VAL  35  -6.090  11.125   3.404
  284   3HG2  VAL  35          HG23      VAL  35  -4.445  10.727   2.907
  285    H    ILE  36           HN       ILE  36  -4.050  11.181  -0.847
  286    HA   ILE  36           HA       ILE  36  -5.370   9.854  -3.114
  287    HB   ILE  36           HB       ILE  36  -3.403  12.140  -3.094
  288   1HG1  ILE  36          HG12      ILE  36  -6.146  11.900  -4.321
  289   2HG1  ILE  36          HG11      ILE  36  -5.855  12.570  -2.718
  290   1HG2  ILE  36          HG21      ILE  36  -3.553  12.077  -5.569
  291   2HG2  ILE  36          HG22      ILE  36  -4.394  10.533  -5.444
  292   3HG2  ILE  36          HG23      ILE  36  -2.720  10.677  -4.888
  293   1HD1  ILE  36          HD11      ILE  36  -6.122  14.342  -4.317
  294   2HD1  ILE  36          HD12      ILE  36  -4.856  13.658  -5.338
  295   3HD1  ILE  36          HD13      ILE  36  -4.452  14.312  -3.751
  296    H    ALA  37           HN       ALA  37  -4.635   7.808  -2.961
  297    HA   ALA  37           HA       ALA  37  -2.291   6.749  -2.231
  298   1HB   ALA  37          HB1       ALA  37  -4.208   5.462  -3.027
  299   2HB   ALA  37          HB2       ALA  37  -2.700   4.908  -3.757
  300   3HB   ALA  37          HB3       ALA  37  -3.818   5.911  -4.687
  301    H    GLU  38           HN       GLU  38  -2.856   7.984  -5.526
  302    HA   GLU  38           HA       GLU  38  -0.301   7.224  -6.458
  303   1HB   GLU  38          HB2       GLU  38  -2.167   9.327  -7.559
  304   2HB   GLU  38          HB1       GLU  38  -0.781   8.652  -8.407
  305   1HG   GLU  38          HG2       GLU  38  -1.873   6.385  -8.074
  306   2HG   GLU  38          HG1       GLU  38  -3.318   7.274  -7.602
  307    H    ALA  39           HN       ALA  39  -1.371  10.065  -4.760
  308    HA   ALA  39           HA       ALA  39   1.101  11.477  -5.307
  309   1HB   ALA  39          HB1       ALA  39   0.237  13.224  -3.849
  310   2HB   ALA  39          HB2       ALA  39  -1.112  12.192  -3.376
  311   3HB   ALA  39          HB3       ALA  39  -0.973  12.755  -5.043
  312    H    VAL  40           HN       VAL  40  -0.264   9.541  -2.607
  313    HA   VAL  40           HA       VAL  40   1.972   9.892  -0.943
  314    HB   VAL  40           HB       VAL  40   0.218   7.458  -1.164
  315   1HG1  VAL  40          HG11      VAL  40   2.339   7.046   0.004
  316   2HG1  VAL  40          HG12      VAL  40   0.982   7.016   1.128
  317   3HG1  VAL  40          HG13      VAL  40   2.031   8.431   1.053
  318   1HG2  VAL  40          HG21      VAL  40  -1.026   8.473   0.683
  319   2HG2  VAL  40          HG22      VAL  40  -1.049   9.514  -0.740
  320   3HG2  VAL  40          HG23      VAL  40   0.017   9.893   0.612
  321    H    GLU  41           HN       GLU  41   1.318   7.781  -3.673
  322    HA   GLU  41           HA       GLU  41   3.699   6.325  -3.719
  323   1HB   GLU  41          HB2       GLU  41   1.888   5.905  -5.319
  324   2HB   GLU  41          HB1       GLU  41   2.143   7.489  -6.043
  325   1HG   GLU  41          HG2       GLU  41   4.547   6.635  -6.470
  326   2HG   GLU  41          HG1       GLU  41   3.843   5.040  -6.209
  327    H    ARG  42           HN       ARG  42   2.931   9.490  -5.213
  328    HA   ARG  42           HA       ARG  42   5.285  10.280  -6.126
  329   1HB   ARG  42          HB2       ARG  42   2.919  11.594  -5.185
  330   2HB   ARG  42          HB1       ARG  42   4.346  12.568  -4.853
  331   1HG   ARG  42          HG2       ARG  42   3.320  13.094  -7.019
  332   2HG   ARG  42          HG1       ARG  42   4.979  12.512  -7.178
  333   1HD   ARG  42          HD2       ARG  42   4.009  10.225  -7.602
  334   2HD   ARG  42          HD1       ARG  42   2.431  11.010  -7.715
  335    HE   ARG  42           HE       ARG  42   3.759  12.445  -9.481
  336   1HH1  ARG  42          HH11      ARG  42   3.780   8.960  -9.030
  337   2HH1  ARG  42          HH12      ARG  42   4.163   8.630 -10.687
  338   1HH2  ARG  42          HH21      ARG  42   4.303  11.993 -11.652
  339   2HH2  ARG  42          HH22      ARG  42   4.510  10.343 -12.163
  340    H    GLU  43           HN       GLU  43   4.437  10.302  -2.681
  341    HA   GLU  43           HA       GLU  43   6.908  11.709  -2.056
  342   1HB   GLU  43          HB2       GLU  43   6.075  11.796   0.239
  343   2HB   GLU  43          HB1       GLU  43   4.880  12.403  -0.898
  344   1HG   GLU  43          HG2       GLU  43   3.615  10.373  -0.738
  345   2HG   GLU  43          HG1       GLU  43   4.872   9.620   0.242
  346    H    GLN  44           HN       GLN  44   6.006   8.487  -2.410
  347    HA   GLN  44           HA       GLN  44   7.891   7.569  -0.365
  348   1HB   GLN  44          HB2       GLN  44   5.751   6.179  -1.955
  349   2HB   GLN  44          HB1       GLN  44   6.989   5.266  -1.102
  350   1HG   GLN  44          HG2       GLN  44   4.999   7.172   0.111
  351   2HG   GLN  44          HG1       GLN  44   5.011   5.414   0.258
  352   1HE2  GLN  44          HE21      GLN  44   6.565   4.427   1.568
  353   2HE2  GLN  44          HE22      GLN  44   7.466   5.312   2.753
  354    HA   PRO  45           HA       PRO  45  11.270   6.460  -2.961
  355   1HB   PRO  45          HB2       PRO  45  10.927   3.649  -2.028
  356   2HB   PRO  45          HB1       PRO  45  12.370   4.669  -2.017
  357   1HG   PRO  45          HG2       PRO  45  11.038   4.210   0.230
  358   2HG   PRO  45          HG1       PRO  45  11.701   5.821  -0.113
  359   1HD   PRO  45          HD2       PRO  45   8.881   4.853  -0.294
  360   2HD   PRO  45          HD1       PRO  45   9.501   6.429   0.236
  361    H    GLU  46           HN       GLU  46  11.233   6.232  -5.065
  362    HA   GLU  46           HA       GLU  46   9.176   5.059  -6.549
  363   1HB   GLU  46          HB2       GLU  46  10.609   6.782  -7.480
  364   2HB   GLU  46          HB1       GLU  46  12.007   5.720  -7.367
  365   1HG   GLU  46          HG2       GLU  46  11.035   4.218  -8.997
  366   2HG   GLU  46          HG1       GLU  46   9.587   5.228  -9.089
  367    H    HIS  47           HN       HIS  47  12.007   3.675  -5.144
  368    HA   HIS  47           HA       HIS  47  12.444   1.444  -6.708
  369   1HB   HIS  47          HB2       HIS  47  13.728   2.201  -4.627
  370   2HB   HIS  47          HB1       HIS  47  12.496   1.377  -3.681
  371    HD1  HIS  47           HD1      HIS  47  15.690   0.693  -4.094
  372    HD2  HIS  47           HD2      HIS  47  12.388  -1.397  -5.507
  373    HE1  HIS  47           HE1      HIS  47  16.502  -1.645  -4.517
  374    HE2  HIS  47           HE2      HIS  47  14.547  -2.810  -5.605
  375    H    LEU  48           HN       LEU  48   9.965   1.975  -4.240
  376    HA   LEU  48           HA       LEU  48   8.692  -0.568  -5.024
  377   1HB   LEU  48          HB2       LEU  48   8.183   1.198  -2.627
  378   2HB   LEU  48          HB1       LEU  48   7.214  -0.192  -3.042
  379    HG   LEU  48           HG       LEU  48   8.577  -0.899  -1.263
  380   1HD1  LEU  48          HD11      LEU  48   9.960  -2.627  -2.233
  381   2HD1  LEU  48          HD12      LEU  48  10.041  -1.778  -3.777
  382   3HD1  LEU  48          HD13      LEU  48   8.504  -2.451  -3.222
  383   1HD2  LEU  48          HD21      LEU  48  10.863   0.413  -2.754
  384   2HD2  LEU  48          HD22      LEU  48  11.021  -0.545  -1.279
  385   3HD2  LEU  48          HD23      LEU  48  10.098   0.963  -1.259
  386    H    ARG  49           HN       ARG  49   8.517   1.632  -6.821
  387    HA   ARG  49           HA       ARG  49   6.104   3.075  -6.300
  388   1HB   ARG  49          HB2       ARG  49   7.933   3.938  -7.751
  389   2HB   ARG  49          HB1       ARG  49   7.506   2.724  -8.950
  390   1HG   ARG  49          HG2       ARG  49   5.441   3.732  -9.399
  391   2HG   ARG  49          HG1       ARG  49   5.507   4.711  -7.932
  392   1HD   ARG  49          HD2       ARG  49   5.961   6.065  -9.902
  393   2HD   ARG  49          HD1       ARG  49   7.376   5.975  -8.855
  394    HE   ARG  49           HE       ARG  49   8.390   4.492 -10.435
  395   1HH1  ARG  49          HH11      ARG  49   5.401   5.951 -11.493
  396   2HH1  ARG  49          HH12      ARG  49   5.736   5.743 -13.185
  397   1HH2  ARG  49          HH21      ARG  49   8.862   4.215 -12.665
  398   2HH2  ARG  49          HH22      ARG  49   7.699   4.733 -13.847
  399    H    SER  50           HN       SER  50   6.874   0.574  -8.724
  400    HA   SER  50           HA       SER  50   4.227  -0.052  -9.393
  401   1HB   SER  50          HB2       SER  50   6.628  -1.899  -9.380
  402   2HB   SER  50          HB1       SER  50   5.125  -2.158 -10.267
  403    HG   SER  50           HG       SER  50   5.619  -0.534 -11.626
  404    H    TRP  51           HN       TRP  51   6.333  -1.198  -6.851
  405    HA   TRP  51           HA       TRP  51   4.658  -3.134  -5.671
  406   1HB   TRP  51          HB2       TRP  51   6.884  -3.131  -4.975
  407   2HB   TRP  51          HB1       TRP  51   6.904  -1.385  -4.703
  408    HD1  TRP  51           HD1      TRP  51   5.672  -0.599  -2.252
  409    HE1  TRP  51           HE1      TRP  51   5.631  -1.915  -0.061
  410    HE3  TRP  51           HE3      TRP  51   6.737  -5.223  -4.081
  411    HZ2  TRP  51           HZ2      TRP  51   6.042  -4.514   0.781
  412    HZ3  TRP  51           HZ3      TRP  51   6.917  -7.071  -2.521
  413    HH2  TRP  51           HH2      TRP  51   6.569  -6.743  -0.110
  414    H    PHE  52           HN       PHE  52   4.961   0.369  -4.974
  415    HA   PHE  52           HA       PHE  52   3.010   0.591  -3.048
  416   1HB   PHE  52          HB2       PHE  52   4.475   2.462  -3.969
  417   2HB   PHE  52          HB1       PHE  52   3.311   2.606  -5.283
  418    HD1  PHE  52           HD1      PHE  52   3.938   3.191  -1.744
  419    HD2  PHE  52           HD2      PHE  52   1.059   3.434  -4.862
  420    HE1  PHE  52           HE1      PHE  52   2.541   4.643  -0.332
  421    HE2  PHE  52           HE2      PHE  52  -0.341   4.885  -3.457
  422    HZ   PHE  52           HZ       PHE  52   0.396   5.491  -1.191
  423    H    ARG  53           HN       ARG  53   2.549   0.794  -6.579
  424    HA   ARG  53           HA       ARG  53  -0.247   0.914  -6.630
  425   1HB   ARG  53          HB2       ARG  53   1.223  -0.870  -8.541
  426   2HB   ARG  53          HB1       ARG  53  -0.190   0.137  -8.838
  427   1HG   ARG  53          HG2       ARG  53   2.614   1.154  -8.433
  428   2HG   ARG  53          HG1       ARG  53   1.757   1.042  -9.971
  429   1HD   ARG  53          HD2       ARG  53   0.912   2.724  -7.613
  430   2HD   ARG  53          HD1       ARG  53   1.736   3.324  -9.050
  431    HE   ARG  53           HE       ARG  53  -0.749   1.936  -9.581
  432   1HH1  ARG  53          HH11      ARG  53   0.789   5.032  -8.908
  433   2HH1  ARG  53          HH12      ARG  53  -0.539   5.956  -9.572
  434   1HH2  ARG  53          HH21      ARG  53  -2.469   3.180 -10.451
  435   2HH2  ARG  53          HH22      ARG  53  -2.369   4.916 -10.442
  436    H    GLU  54           HN       GLU  54   1.943  -1.807  -6.564
  437    HA   GLU  54           HA       GLU  54   0.094  -3.856  -6.863
  438   1HB   GLU  54          HB2       GLU  54   2.464  -4.144  -7.258
  439   2HB   GLU  54          HB1       GLU  54   2.826  -3.791  -5.576
  440   1HG   GLU  54          HG2       GLU  54   3.002  -6.049  -5.626
  441   2HG   GLU  54          HG1       GLU  54   1.330  -5.829  -5.101
  442    H    ARG  55           HN       ARG  55   1.358  -2.301  -3.954
  443    HA   ARG  55           HA       ARG  55  -0.007  -4.092  -2.192
  444   1HB   ARG  55          HB2       ARG  55   1.220  -1.386  -1.640
  445   2HB   ARG  55          HB1       ARG  55   0.643  -2.509  -0.416
  446   1HG   ARG  55          HG2       ARG  55   2.892  -3.026  -2.354
  447   2HG   ARG  55          HG1       ARG  55   3.069  -2.596  -0.654
  448   1HD   ARG  55          HD2       ARG  55   3.366  -4.953  -0.835
  449   2HD   ARG  55          HD1       ARG  55   1.804  -4.671  -0.074
  450    HE   ARG  55           HE       ARG  55   1.184  -4.944  -2.702
  451   1HH1  ARG  55          HH11      ARG  55   3.033  -6.899  -0.465
  452   2HH1  ARG  55          HH12      ARG  55   2.606  -8.405  -1.220
  453   1HH2  ARG  55          HH21      ARG  55   0.591  -6.931  -3.696
  454   2HH2  ARG  55          HH22      ARG  55   1.217  -8.423  -3.054
  455    H    LEU  56           HN       LEU  56  -0.603  -0.882  -3.534
  456    HA   LEU  56           HA       LEU  56  -3.109  -0.413  -2.391
  457   1HB   LEU  56          HB2       LEU  56  -2.201   0.169  -5.217
  458   2HB   LEU  56          HB1       LEU  56  -3.634   0.835  -4.469
  459    HG   LEU  56           HG       LEU  56  -0.803   1.363  -3.561
  460   1HD1  LEU  56          HD11      LEU  56  -1.305   2.352  -5.744
  461   2HD1  LEU  56          HD12      LEU  56  -1.160   3.589  -4.497
  462   3HD1  LEU  56          HD13      LEU  56  -2.754   3.101  -5.074
  463   1HD2  LEU  56          HD21      LEU  56  -2.424   1.480  -1.736
  464   2HD2  LEU  56          HD22      LEU  56  -3.435   2.563  -2.693
  465   3HD2  LEU  56          HD23      LEU  56  -1.838   3.087  -2.161
  466    H    ILE  57           HN       ILE  57  -2.110  -2.425  -5.108
  467    HA   ILE  57           HA       ILE  57  -4.519  -3.161  -6.160
  468    HB   ILE  57           HB       ILE  57  -1.892  -4.565  -5.923
  469   1HG1  ILE  57          HG12      ILE  57  -2.051  -2.570  -7.356
  470   2HG1  ILE  57          HG11      ILE  57  -1.692  -4.021  -8.277
  471   1HG2  ILE  57          HG21      ILE  57  -2.603  -6.235  -7.479
  472   2HG2  ILE  57          HG22      ILE  57  -4.232  -5.554  -7.520
  473   3HG2  ILE  57          HG23      ILE  57  -3.617  -6.284  -6.035
  474   1HD1  ILE  57          HD11      ILE  57  -4.369  -2.670  -8.052
  475   2HD1  ILE  57          HD12      ILE  57  -4.046  -4.155  -8.947
  476   3HD1  ILE  57          HD13      ILE  57  -3.289  -2.641  -9.447
  477    H    ALA  58           HN       ALA  58  -2.634  -4.953  -3.723
  478    HA   ALA  58           HA       ALA  58  -4.747  -6.823  -3.253
  479   1HB   ALA  58          HB1       ALA  58  -2.372  -7.411  -3.009
  480   2HB   ALA  58          HB2       ALA  58  -3.298  -7.759  -1.549
  481   3HB   ALA  58          HB3       ALA  58  -2.258  -6.334  -1.618
  482    H    HIS  59           HN       HIS  59  -3.683  -3.900  -1.601
  483    HA   HIS  59           HA       HIS  59  -5.245  -4.460   0.745
  484   1HB   HIS  59          HB2       HIS  59  -3.781  -1.943  -0.084
  485   2HB   HIS  59          HB1       HIS  59  -4.588  -2.160   1.463
  486    HD1  HIS  59           HD1      HIS  59  -3.521  -5.157   1.882
  487    HD2  HIS  59           HD2      HIS  59  -1.216  -1.815   0.951
  488    HE1  HIS  59           HE1      HIS  59  -1.194  -5.688   2.676
  489    HE2  HIS  59           HE2      HIS  59   0.165  -3.611   2.217
  490    H    ARG  60           HN       ARG  60  -5.674  -2.722  -2.247
  491    HA   ARG  60           HA       ARG  60  -8.061  -1.373  -1.410
  492   1HB   ARG  60          HB2       ARG  60  -6.531  -0.786  -3.422
  493   2HB   ARG  60          HB1       ARG  60  -7.429  -2.036  -4.271
  494   1HG   ARG  60          HG2       ARG  60  -9.526  -0.791  -3.689
  495   2HG   ARG  60          HG1       ARG  60  -8.498   0.516  -3.101
  496   1HD   ARG  60          HD2       ARG  60  -8.859  -0.495  -5.895
  497   2HD   ARG  60          HD1       ARG  60  -8.973   1.153  -5.285
  498    HE   ARG  60           HE       ARG  60  -6.444  -0.333  -5.623
  499   1HH1  ARG  60          HH11      ARG  60  -8.237   2.677  -5.550
  500   2HH1  ARG  60          HH12      ARG  60  -6.893   3.647  -6.064
  501   1HH2  ARG  60          HH21      ARG  60  -4.679   0.943  -6.333
  502   2HH2  ARG  60          HH22      ARG  60  -4.884   2.654  -6.561
  503    H    LEU  61           HN       LEU  61  -7.307  -4.365  -3.203
  504    HA   LEU  61           HA       LEU  61 -10.024  -5.071  -3.583
  505   1HB   LEU  61          HB2       LEU  61  -9.281  -7.189  -4.306
  506   2HB   LEU  61          HB1       LEU  61  -8.061  -6.050  -4.825
  507    HG   LEU  61           HG       LEU  61  -6.806  -6.805  -2.661
  508   1HD1  LEU  61          HD11      LEU  61  -8.572  -9.196  -3.171
  509   2HD1  LEU  61          HD12      LEU  61  -8.661  -8.148  -1.758
  510   3HD1  LEU  61          HD13      LEU  61  -7.217  -9.117  -2.045
  511   1HD2  LEU  61          HD21      LEU  61  -7.069  -8.540  -5.112
  512   2HD2  LEU  61          HD22      LEU  61  -5.738  -8.600  -3.952
  513   3HD2  LEU  61          HD23      LEU  61  -6.000  -7.149  -4.922
  514    H    ALA  62           HN       ALA  62  -7.795  -5.387  -0.921
  515    HA   ALA  62           HA       ALA  62  -9.425  -7.127   0.643
  516   1HB   ALA  62          HB1       ALA  62  -8.057  -6.430   2.527
  517   2HB   ALA  62          HB2       ALA  62  -7.402  -5.095   1.579
  518   3HB   ALA  62          HB3       ALA  62  -7.046  -6.761   1.121
  519    H    SER  63           HN       SER  63  -9.133  -3.597   0.444
  520    HA   SER  63           HA       SER  63 -11.030  -3.134   2.547
  521   1HB   SER  63          HB2       SER  63  -9.233  -1.553   2.213
  522   2HB   SER  63          HB1       SER  63  -9.737  -1.266   0.547
  523    HG   SER  63           HG       SER  63 -11.793  -0.843   2.238
  524    H    VAL  64           HN       VAL  64 -11.233  -3.468  -0.909
  525    HA   VAL  64           HA       VAL  64 -13.693  -1.980  -1.142
  526    HB   VAL  64           HB       VAL  64 -11.944  -2.198  -2.981
  527   1HG1  VAL  64          HG11      VAL  64 -12.148  -4.123  -4.482
  528   2HG1  VAL  64          HG12      VAL  64 -13.259  -4.885  -3.345
  529   3HG1  VAL  64          HG13      VAL  64 -11.583  -4.591  -2.877
  530   1HG2  VAL  64          HG21      VAL  64 -13.625  -2.205  -4.777
  531   2HG2  VAL  64          HG22      VAL  64 -14.109  -1.215  -3.401
  532   3HG2  VAL  64          HG23      VAL  64 -14.823  -2.810  -3.632
  533    H    ASN  65           HN       ASN  65 -12.873  -5.075  -0.119
  534    HA   ASN  65           HA       ASN  65 -15.508  -6.152  -0.868
  535   1HB   ASN  65          HB2       ASN  65 -13.454  -7.348  -1.732
  536   2HB   ASN  65          HB1       ASN  65 -13.058  -7.733  -0.062
  537   1HD2  ASN  65          HD21      ASN  65 -16.315  -7.645  -1.392
  538   2HD2  ASN  65          HD22      ASN  65 -16.616  -9.345  -1.231
  539    H    LEU  66           HN       LEU  66 -14.181  -4.587   1.554
  540    HA   LEU  66           HA       LEU  66 -14.992  -6.353   3.739
  541   1HB   LEU  66          HB2       LEU  66 -13.043  -4.361   3.440
  542   2HB   LEU  66          HB1       LEU  66 -14.246  -3.674   4.520
  543    HG   LEU  66           HG       LEU  66 -12.407  -4.761   5.739
  544   1HD1  LEU  66          HD11      LEU  66 -15.045  -6.190   6.033
  545   2HD1  LEU  66          HD12      LEU  66 -14.604  -4.653   6.777
  546   3HD1  LEU  66          HD13      LEU  66 -13.757  -6.128   7.237
  547   1HD2  LEU  66          HD21      LEU  66 -13.384  -7.291   4.426
  548   2HD2  LEU  66          HD22      LEU  66 -12.167  -7.185   5.699
  549   3HD2  LEU  66          HD23      LEU  66 -11.848  -6.481   4.113
  550    H    SER  67           HN       SER  67 -15.549  -3.727   5.257
  551    HA   SER  67           HA       SER  67 -18.180  -3.159   4.162
  552   1HB   SER  67          HB2       SER  67 -18.434  -4.951   5.853
  553   2HB   SER  67          HB1       SER  67 -17.740  -3.874   7.063
  554    HG   SER  67           HG       SER  67 -20.234  -3.736   5.750
  555    H    ARG  68           HN       ARG  68 -19.246  -1.368   5.544
  556    HA   ARG  68           HA       ARG  68 -19.305   0.833   6.061
  557   1HB   ARG  68          HB2       ARG  68 -17.593   0.156   7.828
  558   2HB   ARG  68          HB1       ARG  68 -16.359   0.732   6.715
  559   1HG   ARG  68          HG2       ARG  68 -17.442   2.957   6.737
  560   2HG   ARG  68          HG1       ARG  68 -18.575   2.358   7.949
  561   1HD   ARG  68          HD2       ARG  68 -15.577   2.496   8.238
  562   2HD   ARG  68          HD1       ARG  68 -16.735   3.607   8.966
  563    HE   ARG  68           HE       ARG  68 -17.541   1.197   9.897
  564   1HH1  ARG  68          HH11      ARG  68 -14.457   2.867   9.885
  565   2HH1  ARG  68          HH12      ARG  68 -13.891   2.085  11.326
  566   1HH2  ARG  68          HH21      ARG  68 -16.787   0.171  11.794
  567   2HH2  ARG  68          HH22      ARG  68 -15.201   0.555  12.405
  568    H    LEU  69           HN       LEU  69 -17.976  -0.486   3.549
  569    HA   LEU  69           HA       LEU  69 -16.489   1.617   2.342
  570   1HB   LEU  69          HB2       LEU  69 -16.555   0.328   0.331
  571   2HB   LEU  69          HB1       LEU  69 -16.307  -0.776   1.664
  572    HG   LEU  69           HG       LEU  69 -18.985  -0.341   0.335
  573   1HD1  LEU  69          HD11      LEU  69 -18.570  -2.499  -0.770
  574   2HD1  LEU  69          HD12      LEU  69 -16.927  -2.497  -0.127
  575   3HD1  LEU  69          HD13      LEU  69 -17.427  -1.256  -1.279
  576   1HD2  LEU  69          HD21      LEU  69 -18.004  -2.521   2.177
  577   2HD2  LEU  69          HD22      LEU  69 -19.603  -2.423   1.440
  578   3HD2  LEU  69          HD23      LEU  69 -19.105  -1.219   2.627
  579    HA   PRO  70           HA       PRO  70 -19.923   4.147   1.259
  580   1HB   PRO  70          HB2       PRO  70 -18.658   5.925  -0.309
  581   2HB   PRO  70          HB1       PRO  70 -18.422   5.883   1.443
  582   1HG   PRO  70          HG2       PRO  70 -16.695   4.772  -0.733
  583   2HG   PRO  70          HG1       PRO  70 -16.222   5.635   0.743
  584   1HD   PRO  70          HD2       PRO  70 -16.121   2.914   0.479
  585   2HD   PRO  70          HD1       PRO  70 -16.339   3.743   2.032
  586    H    TYR  71           HN       TYR  71 -20.013   1.792  -0.129
  587    HA   TYR  71           HA       TYR  71 -20.056   2.579  -2.939
  588   1HB   TYR  71          HB2       TYR  71 -19.714  -0.071  -1.612
  589   2HB   TYR  71          HB1       TYR  71 -20.159   0.063  -3.318
  590    HD1  TYR  71           HD1      TYR  71 -17.977   2.417  -1.461
  591    HD2  TYR  71           HD2      TYR  71 -18.232  -0.729  -4.326
  592    HE1  TYR  71           HE1      TYR  71 -15.607   2.743  -2.025
  593    HE2  TYR  71           HE2      TYR  71 -15.886  -0.411  -4.879
  594    HH   TYR  71           HH       TYR  71 -13.740   1.337  -2.995
  595    H    GLU  72           HN       GLU  72 -21.973   0.911  -0.487
  596    HA   GLU  72           HA       GLU  72 -24.346   1.862  -1.742
  597   1HB   GLU  72          HB2       GLU  72 -24.060  -1.003  -0.833
  598   2HB   GLU  72          HB1       GLU  72 -25.546  -0.259  -1.407
  599   1HG   GLU  72          HG2       GLU  72 -24.355   0.139  -3.595
  600   2HG   GLU  72          HG1       GLU  72 -23.070  -0.901  -2.985
  601    HA   PRO  73           HA       PRO  73 -24.044   2.244   2.789
  602   1HB   PRO  73          HB2       PRO  73 -23.364   4.822   3.020
  603   2HB   PRO  73          HB1       PRO  73 -22.186   3.598   2.538
  604   1HG   PRO  73          HG2       PRO  73 -23.479   5.698   0.919
  605   2HG   PRO  73          HG1       PRO  73 -21.945   4.856   0.650
  606   1HD   PRO  73          HD2       PRO  73 -24.527   4.300  -0.526
  607   2HD   PRO  73          HD1       PRO  73 -22.972   3.504  -0.847
  608    H    LYS  74           HN       LYS  74 -24.943   4.274   4.229
  609    HA   LYS  74           HA       LYS  74 -27.648   4.853   3.255
  610   1HB   LYS  74          HB2       LYS  74 -26.381   4.992   5.989
  611   2HB   LYS  74          HB1       LYS  74 -27.916   5.775   5.648
  612   1HG   LYS  74          HG2       LYS  74 -28.421   3.699   6.640
  613   2HG   LYS  74          HG1       LYS  74 -28.784   3.533   4.927
  614   1HD   LYS  74          HD2       LYS  74 -26.680   2.359   4.575
  615   2HD   LYS  74          HD1       LYS  74 -26.260   2.579   6.273
  616   1HE   LYS  74          HE2       LYS  74 -28.246   1.269   6.912
  617   2HE   LYS  74          HE1       LYS  74 -28.602   1.009   5.204
  618   1HZ   LYS  74          HZ1       LYS  74 -27.413  -0.850   6.289
  619   2HZ   LYS  74          HZ2       LYS  74 -26.077   0.166   6.520
  620   3HZ   LYS  74          HZ3       LYS  74 -26.592  -0.218   4.948
  621    H    LEU  75           HN       LEU  75 -27.972   6.758   2.312
  622    HA   LEU  75           HA       LEU  75 -26.038   8.607   1.878
  623   1HB   LEU  75          HB2       LEU  75 -29.015   8.790   1.686
  624   2HB   LEU  75          HB1       LEU  75 -27.999  10.166   1.309
  625    HG   LEU  75           HG       LEU  75 -28.583   9.066  -0.738
  626   1HD1  LEU  75          HD11      LEU  75 -25.731   8.450   0.008
  627   2HD1  LEU  75          HD12      LEU  75 -26.343   9.978  -0.622
  628   3HD1  LEU  75          HD13      LEU  75 -26.370   8.534  -1.634
  629   1HD2  LEU  75          HD21      LEU  75 -27.467   6.553   0.501
  630   2HD2  LEU  75          HD22      LEU  75 -27.920   6.730  -1.195
  631   3HD2  LEU  75          HD23      LEU  75 -29.150   6.862   0.065
  632    H    LYS  76           HN       LYS  76 -25.336  10.427   2.811
  633    HA   LYS  76           HA       LYS  76 -26.025  10.893   5.570
  634   1HB   LYS  76          HB2       LYS  76 -24.070  12.262   3.715
  635   2HB   LYS  76          HB1       LYS  76 -24.265  12.671   5.412
  636   1HG   LYS  76          HG2       LYS  76 -23.483  10.515   6.091
  637   2HG   LYS  76          HG1       LYS  76 -23.463   9.943   4.420
  638   1HD   LYS  76          HD2       LYS  76 -21.216  10.535   5.207
  639   2HD   LYS  76          HD1       LYS  76 -21.733  11.566   3.871
  640   1HE   LYS  76          HE2       LYS  76 -22.481  13.228   5.637
  641   2HE   LYS  76          HE1       LYS  76 -21.601  12.240   6.801
  642   1HZ   LYS  76          HZ1       LYS  76 -19.578  12.596   5.541
  643   2HZ   LYS  76          HZ2       LYS  76 -20.268  14.085   5.974
  644   3HZ   LYS  76          HZ3       LYS  76 -20.427  13.512   4.393
  Start of MODEL    6
    1   1H    MET   1           HT1      MET   1  21.178  -5.284 -11.197
    2   2H    MET   1           HT2      MET   1  20.203  -6.200 -12.238
    3   3H    MET   1           HT3      MET   1  21.690  -6.813 -11.716
    4    HA   MET   1           HA       MET   1  20.918  -6.923  -9.461
    5   1HB   MET   1          HB2       MET   1  18.594  -6.471  -8.907
    6   2HB   MET   1          HB1       MET   1  19.318  -5.034  -9.612
    7   1HG   MET   1          HG2       MET   1  18.228  -5.457 -11.716
    8   2HG   MET   1          HG1       MET   1  17.591  -6.987 -11.116
    9   1HE   MET   1          HE1       MET   1  15.018  -5.820  -8.416
   10   2HE   MET   1          HE2       MET   1  16.700  -6.295  -8.175
   11   3HE   MET   1          HE3       MET   1  15.683  -7.196  -9.299
   12    H    LEU   2           HN       LEU   2  20.038  -8.863  -8.721
   13    HA   LEU   2           HA       LEU   2  18.809 -10.572 -10.779
   14   1HB   LEU   2          HB2       LEU   2  21.112 -11.303 -10.323
   15   2HB   LEU   2          HB1       LEU   2  20.737 -11.432  -8.617
   16    HG   LEU   2           HG       LEU   2  19.096 -13.216  -9.137
   17   1HD1  LEU   2          HD11      LEU   2  18.558 -12.578 -11.419
   18   2HD1  LEU   2          HD12      LEU   2  19.125 -14.248 -11.356
   19   3HD1  LEU   2          HD13      LEU   2  20.199 -12.972 -11.931
   20   1HD2  LEU   2          HD21      LEU   2  21.891 -13.717 -10.155
   21   2HD2  LEU   2          HD22      LEU   2  20.749 -14.949  -9.619
   22   3HD2  LEU   2          HD23      LEU   2  21.379 -13.771  -8.469
   23    H    LYS   3           HN       LYS   3  19.421 -10.873  -7.288
   24    HA   LYS   3           HA       LYS   3  16.517 -10.843  -6.841
   25   1HB   LYS   3          HB2       LYS   3  17.569 -13.170  -6.782
   26   2HB   LYS   3          HB1       LYS   3  18.426 -12.640  -5.342
   27   1HG   LYS   3          HG2       LYS   3  16.260 -12.198  -4.252
   28   2HG   LYS   3          HG1       LYS   3  15.442 -12.825  -5.685
   29   1HD   LYS   3          HD2       LYS   3  16.727 -14.958  -5.359
   30   2HD   LYS   3          HD1       LYS   3  17.263 -14.312  -3.806
   31   1HE   LYS   3          HE2       LYS   3  14.855 -14.042  -3.187
   32   2HE   LYS   3          HE1       LYS   3  14.438 -14.902  -4.671
   33   1HZ   LYS   3          HZ1       LYS   3  15.987 -15.942  -2.366
   34   2HZ   LYS   3          HZ2       LYS   3  15.833 -16.766  -3.839
   35   3HZ   LYS   3          HZ3       LYS   3  14.459 -16.456  -2.892
   36    H    ASN   4           HN       ASN   4  19.358 -11.204  -4.738
   37    HA   ASN   4           HA       ASN   4  18.643  -8.649  -3.447
   38   1HB   ASN   4          HB2       ASN   4  19.835  -9.434  -1.461
   39   2HB   ASN   4          HB1       ASN   4  18.588 -10.585  -1.916
   40   1HD2  ASN   4          HD21      ASN   4  21.997 -10.012  -1.612
   41   2HD2  ASN   4          HD22      ASN   4  22.491 -11.654  -1.881
   42    H    LEU   5           HN       LEU   5  20.737 -10.065  -5.572
   43    HA   LEU   5           HA       LEU   5  23.159  -8.750  -5.002
   44   1HB   LEU   5          HB2       LEU   5  22.028 -10.269  -7.210
   45   2HB   LEU   5          HB1       LEU   5  23.040  -8.952  -7.772
   46    HG   LEU   5           HG       LEU   5  24.302 -11.035  -7.582
   47   1HD1  LEU   5          HD11      LEU   5  25.100  -8.992  -5.514
   48   2HD1  LEU   5          HD12      LEU   5  25.460  -8.914  -7.238
   49   3HD1  LEU   5          HD13      LEU   5  26.163 -10.193  -6.248
   50   1HD2  LEU   5          HD21      LEU   5  24.767 -12.000  -5.367
   51   2HD2  LEU   5          HD22      LEU   5  23.062 -12.119  -5.804
   52   3HD2  LEU   5          HD23      LEU   5  23.594 -10.891  -4.655
   53    H    ALA   6           HN       ALA   6  22.766  -6.679  -4.426
   54    HA   ALA   6           HA       ALA   6  22.650  -4.722  -6.488
   55   1HB   ALA   6          HB1       ALA   6  20.313  -4.874  -4.571
   56   2HB   ALA   6          HB2       ALA   6  20.246  -5.165  -6.308
   57   3HB   ALA   6          HB3       ALA   6  20.632  -3.556  -5.700
   58    H    LYS   7           HN       LYS   7  22.218  -2.469  -5.077
   59    HA   LYS   7           HA       LYS   7  24.278  -2.633  -3.004
   60   1HB   LYS   7          HB2       LYS   7  23.168  -0.335  -4.611
   61   2HB   LYS   7          HB1       LYS   7  24.177  -0.074  -3.196
   62   1HG   LYS   7          HG2       LYS   7  25.538   0.059  -5.164
   63   2HG   LYS   7          HG1       LYS   7  25.968  -1.402  -4.275
   64   1HD   LYS   7          HD2       LYS   7  24.423  -2.658  -5.814
   65   2HD   LYS   7          HD1       LYS   7  24.301  -1.183  -6.775
   66   1HE   LYS   7          HE2       LYS   7  26.854  -2.664  -6.149
   67   2HE   LYS   7          HE1       LYS   7  25.968  -2.757  -7.670
   68   1HZ   LYS   7          HZ1       LYS   7  27.713  -1.217  -7.966
   69   2HZ   LYS   7          HZ2       LYS   7  27.356  -0.396  -6.532
   70   3HZ   LYS   7          HZ3       LYS   7  26.293  -0.303  -7.852
   71    H    LEU   8           HN       LEU   8  23.772  -2.613  -0.966
   72    HA   LEU   8           HA       LEU   8  22.675  -2.410   0.997
   73   1HB   LEU   8          HB2       LEU   8  21.037  -0.329  -0.449
   74   2HB   LEU   8          HB1       LEU   8  20.963  -0.638   1.274
   75    HG   LEU   8           HG       LEU   8  23.361   0.402  -0.239
   76   1HD1  LEU   8          HD11      LEU   8  21.527   1.733   1.744
   77   2HD1  LEU   8          HD12      LEU   8  21.576   2.042   0.007
   78   3HD1  LEU   8          HD13      LEU   8  22.965   2.451   1.017
   79   1HD2  LEU   8          HD21      LEU   8  24.391   0.669   1.955
   80   2HD2  LEU   8          HD22      LEU   8  24.025  -1.026   1.634
   81   3HD2  LEU   8          HD23      LEU   8  22.992  -0.090   2.713
   82    H    ASP   9           HN       ASP   9  21.760  -4.362   1.265
   83    HA   ASP   9           HA       ASP   9  19.246  -4.983  -0.060
   84   1HB   ASP   9          HB2       ASP   9  19.488  -7.230   0.869
   85   2HB   ASP   9          HB1       ASP   9  20.939  -6.751   0.000
   86    H    GLN  10           HN       GLN  10  19.299  -2.898   1.718
   87    HA   GLN  10           HA       GLN  10  17.747  -3.850   3.957
   88   1HB   GLN  10          HB2       GLN  10  18.805  -1.142   3.210
   89   2HB   GLN  10          HB1       GLN  10  17.585  -1.315   4.460
   90   1HG   GLN  10          HG2       GLN  10  20.308  -2.595   4.479
   91   2HG   GLN  10          HG1       GLN  10  19.833  -1.164   5.391
   92   1HE2  GLN  10          HE21      GLN  10  19.639  -4.609   5.154
   93   2HE2  GLN  10          HE22      GLN  10  18.893  -4.881   6.695
   94    H    THR  11           HN       THR  11  17.107  -3.667   0.975
   95    HA   THR  11           HA       THR  11  14.864  -2.004   0.620
   96    HB   THR  11           HB       THR  11  15.668  -4.581  -0.752
   97    HG1  THR  11           HG1      THR  11  16.757  -2.145  -0.723
   98   1HG2  THR  11          HG21      THR  11  13.829  -2.380  -1.711
   99   2HG2  THR  11          HG22      THR  11  13.338  -4.012  -1.261
  100   3HG2  THR  11          HG23      THR  11  14.366  -3.759  -2.672
  101    H    GLU  12           HN       GLU  12  15.120  -5.173   2.158
  102    HA   GLU  12           HA       GLU  12  12.577  -5.794   2.563
  103   1HB   GLU  12          HB2       GLU  12  13.165  -6.396   4.872
  104   2HB   GLU  12          HB1       GLU  12  14.385  -6.883   3.706
  105   1HG   GLU  12          HG2       GLU  12  15.806  -5.069   4.325
  106   2HG   GLU  12          HG1       GLU  12  14.554  -4.387   5.360
  107    H    MET  13           HN       MET  13  14.103  -2.967   3.755
  108    HA   MET  13           HA       MET  13  11.876  -2.161   5.405
  109   1HB   MET  13          HB2       MET  13  14.419  -0.709   4.621
  110   2HB   MET  13          HB1       MET  13  13.205  -0.070   5.720
  111   1HG   MET  13          HG2       MET  13  13.621  -1.926   7.255
  112   2HG   MET  13          HG1       MET  13  14.842  -2.560   6.152
  113   1HE   MET  13          HE1       MET  13  14.107   1.211   7.002
  114   2HE   MET  13          HE2       MET  13  15.225   1.496   8.336
  115   3HE   MET  13          HE3       MET  13  13.857   0.403   8.548
  116    H    ASP  14           HN       ASP  14  13.498  -1.193   2.421
  117    HA   ASP  14           HA       ASP  14  11.876   0.674   1.491
  118   1HB   ASP  14          HB2       ASP  14  13.137  -1.582  -0.003
  119   2HB   ASP  14          HB1       ASP  14  12.257  -0.304  -0.826
  120    H    LYS  15           HN       LYS  15  11.293  -2.754   0.938
  121    HA   LYS  15           HA       LYS  15   8.813  -2.751  -0.244
  122   1HB   LYS  15          HB2       LYS  15  10.037  -4.722   1.689
  123   2HB   LYS  15          HB1       LYS  15   8.551  -5.030   0.808
  124   1HG   LYS  15          HG2       LYS  15   9.699  -5.007  -1.283
  125   2HG   LYS  15          HG1       LYS  15  11.186  -4.437  -0.517
  126   1HD   LYS  15          HD2       LYS  15  11.373  -6.508   0.728
  127   2HD   LYS  15          HD1       LYS  15   9.840  -7.076   0.069
  128   1HE   LYS  15          HE2       LYS  15  12.220  -6.398  -1.645
  129   2HE   LYS  15          HE1       LYS  15  11.927  -8.012  -1.002
  130   1HZ   LYS  15          HZ1       LYS  15  10.167  -6.492  -2.857
  131   2HZ   LYS  15          HZ2       LYS  15   9.758  -7.980  -2.150
  132   3HZ   LYS  15          HZ3       LYS  15  11.072  -7.882  -3.216
  133    H    VAL  16           HN       VAL  16   9.410  -3.130   3.309
  134    HA   VAL  16           HA       VAL  16   6.697  -3.339   3.914
  135    HB   VAL  16           HB       VAL  16   7.422  -2.807   6.225
  136   1HG1  VAL  16          HG11      VAL  16   8.662  -4.895   6.531
  137   2HG1  VAL  16          HG12      VAL  16   8.946  -4.953   4.791
  138   3HG1  VAL  16          HG13      VAL  16   7.306  -5.088   5.421
  139   1HG2  VAL  16          HG21      VAL  16  10.141  -2.643   4.990
  140   2HG2  VAL  16          HG22      VAL  16   9.824  -2.763   6.721
  141   3HG2  VAL  16          HG23      VAL  16   9.278  -1.349   5.822
  142    H    ASN  17           HN       ASN  17   8.851  -0.557   3.853
  143    HA   ASN  17           HA       ASN  17   7.081   1.351   4.874
  144   1HB   ASN  17          HB2       ASN  17   9.465   1.480   3.085
  145   2HB   ASN  17          HB1       ASN  17   8.433   2.902   3.193
  146   1HD2  ASN  17          HD21      ASN  17  10.662   0.845   4.870
  147   2HD2  ASN  17          HD22      ASN  17  10.882   1.872   6.254
  148    H    VAL  18           HN       VAL  18   7.730   0.589   1.422
  149    HA   VAL  18           HA       VAL  18   5.762   2.221   0.418
  150    HB   VAL  18           HB       VAL  18   6.815  -0.290  -0.822
  151   1HG1  VAL  18          HG11      VAL  18   5.472   2.127  -2.035
  152   2HG1  VAL  18          HG12      VAL  18   4.752   0.525  -1.873
  153   3HG1  VAL  18          HG13      VAL  18   6.148   0.762  -2.924
  154   1HG2  VAL  18          HG21      VAL  18   8.379   1.243  -1.926
  155   2HG2  VAL  18          HG22      VAL  18   8.567   1.282  -0.174
  156   3HG2  VAL  18          HG23      VAL  18   7.714   2.587  -0.999
  157    H    ASP  19           HN       ASP  19   5.532  -1.083   1.601
  158    HA   ASP  19           HA       ASP  19   2.889  -1.597   0.688
  159   1HB   ASP  19          HB2       ASP  19   4.274  -3.458   1.359
  160   2HB   ASP  19          HB1       ASP  19   4.456  -2.796   2.979
  161    H    LEU  20           HN       LEU  20   4.172  -0.443   3.791
  162    HA   LEU  20           HA       LEU  20   1.737  -0.251   5.157
  163   1HB   LEU  20          HB2       LEU  20   4.076  -0.108   6.109
  164   2HB   LEU  20          HB1       LEU  20   4.132   1.546   5.537
  165    HG   LEU  20           HG       LEU  20   1.963   0.656   7.421
  166   1HD1  LEU  20          HD11      LEU  20   3.391   1.409   9.280
  167   2HD1  LEU  20          HD12      LEU  20   4.744   1.563   8.157
  168   3HD1  LEU  20          HD13      LEU  20   4.033  -0.021   8.471
  169   1HD2  LEU  20          HD21      LEU  20   3.316   3.312   6.925
  170   2HD2  LEU  20          HD22      LEU  20   2.021   3.018   8.085
  171   3HD2  LEU  20          HD23      LEU  20   1.714   2.839   6.358
  172    H    ALA  21           HN       ALA  21   3.561   2.291   3.426
  173    HA   ALA  21           HA       ALA  21   1.770   4.360   3.649
  174   1HB   ALA  21          HB1       ALA  21   4.001   4.572   2.684
  175   2HB   ALA  21          HB2       ALA  21   2.773   5.263   1.621
  176   3HB   ALA  21          HB3       ALA  21   3.471   3.685   1.255
  177    H    ALA  22           HN       ALA  22   1.846   1.882   1.071
  178    HA   ALA  22           HA       ALA  22  -0.402   2.910  -0.315
  179   1HB   ALA  22          HB1       ALA  22   1.265   1.439  -1.344
  180   2HB   ALA  22          HB2       ALA  22  -0.375   0.824  -1.547
  181   3HB   ALA  22          HB3       ALA  22   0.696   0.105  -0.343
  182    H    ALA  23           HN       ALA  23  -0.100   0.870   2.468
  183    HA   ALA  23           HA       ALA  23  -2.691  -0.354   2.324
  184   1HB   ALA  23          HB1       ALA  23  -0.950   0.102   4.747
  185   2HB   ALA  23          HB2       ALA  23  -0.768  -1.269   3.648
  186   3HB   ALA  23          HB3       ALA  23  -2.252  -1.076   4.584
  187    H    GLY  24           HN       GLY  24  -1.160   2.392   3.809
  188   1HA   GLY  24          HA2       GLY  24  -3.305   3.291   5.340
  189   2HA   GLY  24          HA1       GLY  24  -1.939   4.246   4.781
  190    H    VAL  25           HN       VAL  25  -2.184   4.205   2.095
  191    HA   VAL  25           HA       VAL  25  -4.081   6.145   1.500
  192    HB   VAL  25           HB       VAL  25  -2.878   4.144  -0.429
  193   1HG1  VAL  25          HG11      VAL  25  -3.291   5.855  -2.134
  194   2HG1  VAL  25          HG12      VAL  25  -4.089   6.863  -0.928
  195   3HG1  VAL  25          HG13      VAL  25  -4.791   5.311  -1.384
  196   1HG2  VAL  25          HG21      VAL  25  -1.887   6.883   0.391
  197   2HG2  VAL  25          HG22      VAL  25  -1.182   5.858  -0.858
  198   3HG2  VAL  25          HG23      VAL  25  -1.157   5.336   0.825
  199    H    ALA  26           HN       ALA  26  -4.223   2.632   1.025
  200    HA   ALA  26           HA       ALA  26  -6.696   2.464  -0.253
  201   1HB   ALA  26          HB1       ALA  26  -5.126   0.585  -0.020
  202   2HB   ALA  26          HB2       ALA  26  -6.763   0.154   0.473
  203   3HB   ALA  26          HB3       ALA  26  -5.532   0.477   1.693
  204    H    PHE  27           HN       PHE  27  -6.036   2.154   3.257
  205    HA   PHE  27           HA       PHE  27  -8.786   1.996   3.947
  206   1HB   PHE  27          HB2       PHE  27  -6.263   2.398   5.487
  207   2HB   PHE  27          HB1       PHE  27  -7.804   2.725   6.281
  208    HD1  PHE  27           HD1      PHE  27  -5.795   0.149   4.592
  209    HD2  PHE  27           HD2      PHE  27  -9.225   0.963   6.972
  210    HE1  PHE  27           HE1      PHE  27  -6.044  -2.254   5.038
  211    HE2  PHE  27           HE2      PHE  27  -9.482  -1.443   7.425
  212    HZ   PHE  27           HZ       PHE  27  -7.985  -3.050   6.426
  213    H    LYS  28           HN       LYS  28  -6.718   4.591   3.275
  214    HA   LYS  28           HA       LYS  28  -8.110   6.639   4.700
  215   1HB   LYS  28          HB2       LYS  28  -6.110   6.712   2.485
  216   2HB   LYS  28          HB1       LYS  28  -6.990   8.170   2.926
  217   1HG   LYS  28          HG2       LYS  28  -6.198   7.900   5.251
  218   2HG   LYS  28          HG1       LYS  28  -5.241   6.513   4.729
  219   1HD   LYS  28          HD2       LYS  28  -3.824   8.459   4.825
  220   2HD   LYS  28          HD1       LYS  28  -4.044   7.985   3.141
  221   1HE   LYS  28          HE2       LYS  28  -4.190  10.410   3.418
  222   2HE   LYS  28          HE1       LYS  28  -5.711   9.733   2.846
  223   1HZ   LYS  28          HZ1       LYS  28  -5.850  11.451   4.656
  224   2HZ   LYS  28          HZ2       LYS  28  -5.202  10.288   5.710
  225   3HZ   LYS  28          HZ3       LYS  28  -6.685  10.008   4.946
  226    H    GLU  29           HN       GLU  29  -8.043   6.014   1.172
  227    HA   GLU  29           HA       GLU  29 -10.280   7.558   0.584
  228   1HB   GLU  29          HB2       GLU  29 -10.548   6.034  -1.426
  229   2HB   GLU  29          HB1       GLU  29  -8.989   6.824  -1.244
  230   1HG   GLU  29          HG2       GLU  29  -7.938   4.849  -0.572
  231   2HG   GLU  29          HG1       GLU  29  -9.473   4.043  -0.246
  232    H    ARG  30           HN       ARG  30 -10.167   4.059   1.241
  233    HA   ARG  30           HA       ARG  30 -12.816   3.469   0.679
  234   1HB   ARG  30          HB2       ARG  30 -10.978   2.168   2.689
  235   2HB   ARG  30          HB1       ARG  30 -12.506   1.487   2.160
  236   1HG   ARG  30          HG2       ARG  30 -10.161   2.053   0.358
  237   2HG   ARG  30          HG1       ARG  30 -10.541   0.485   1.064
  238   1HD   ARG  30          HD2       ARG  30 -11.531   0.239  -0.973
  239   2HD   ARG  30          HD1       ARG  30 -12.878   0.927  -0.069
  240    HE   ARG  30           HE       ARG  30 -11.221   2.880  -1.404
  241   1HH1  ARG  30          HH11      ARG  30 -13.950   0.722  -1.717
  242   2HH1  ARG  30          HH12      ARG  30 -14.685   1.617  -3.019
  243   1HH2  ARG  30          HH21      ARG  30 -12.164   4.053  -3.122
  244   2HH2  ARG  30          HH22      ARG  30 -13.660   3.497  -3.824
  245    H    TYR  31           HN       TYR  31 -11.420   4.366   3.852
  246    HA   TYR  31           HA       TYR  31 -14.169   4.360   4.891
  247   1HB   TYR  31          HB2       TYR  31 -11.611   3.634   6.293
  248   2HB   TYR  31          HB1       TYR  31 -13.183   3.776   7.093
  249    HD1  TYR  31           HD1      TYR  31 -15.125   2.436   5.781
  250    HD2  TYR  31           HD2      TYR  31 -10.970   1.561   5.673
  251    HE1  TYR  31           HE1      TYR  31 -15.635   0.092   5.236
  252    HE2  TYR  31           HE2      TYR  31 -11.465  -0.770   5.116
  253    HH   TYR  31           HH       TYR  31 -13.301  -2.356   5.402
  254    H    ASN  32           HN       ASN  32 -12.101   6.524   3.876
  255    HA   ASN  32           HA       ASN  32 -12.945   8.497   5.773
  256   1HB   ASN  32          HB2       ASN  32 -11.028   7.246   6.786
  257   2HB   ASN  32          HB1       ASN  32 -10.011   7.865   5.488
  258   1HD2  ASN  32          HD21      ASN  32 -12.560   9.679   7.116
  259   2HD2  ASN  32          HD22      ASN  32 -11.503  10.839   7.841
  260    H    MET  33           HN       MET  33 -12.941   7.830   2.851
  261    HA   MET  33           HA       MET  33 -12.600   8.809   0.833
  262   1HB   MET  33          HB2       MET  33 -14.068  10.842   2.477
  263   2HB   MET  33          HB1       MET  33 -13.904  10.960   0.729
  264   1HG   MET  33          HG2       MET  33 -14.996   8.797   0.473
  265   2HG   MET  33          HG1       MET  33 -15.157   8.667   2.223
  266   1HE   MET  33          HE1       MET  33 -17.758   8.177   1.836
  267   2HE   MET  33          HE2       MET  33 -17.578   8.393   0.094
  268   3HE   MET  33          HE3       MET  33 -18.837   9.268   0.965
  269    HA   PRO  34           HA       PRO  34 -10.196  13.073   0.774
  270   1HB   PRO  34          HB2       PRO  34  -9.274  13.619   3.412
  271   2HB   PRO  34          HB1       PRO  34 -10.365  14.593   2.428
  272   1HG   PRO  34          HG2       PRO  34 -10.979  12.638   4.564
  273   2HG   PRO  34          HG1       PRO  34 -11.881  14.077   4.057
  274   1HD   PRO  34          HD2       PRO  34 -12.753  11.619   3.470
  275   2HD   PRO  34          HD1       PRO  34 -12.927  12.956   2.313
  276    H    VAL  35           HN       VAL  35  -8.574  12.042  -0.197
  277    HA   VAL  35           HA       VAL  35  -6.292  11.223   1.340
  278    HB   VAL  35           HB       VAL  35  -7.633   9.168   1.347
  279   1HG1  VAL  35          HG11      VAL  35  -7.407   9.394  -1.629
  280   2HG1  VAL  35          HG12      VAL  35  -8.876   9.539  -0.670
  281   3HG1  VAL  35          HG13      VAL  35  -8.030   7.993  -0.758
  282   1HG2  VAL  35          HG21      VAL  35  -5.954   7.651   0.425
  283   2HG2  VAL  35          HG22      VAL  35  -5.216   8.959   1.354
  284   3HG2  VAL  35          HG23      VAL  35  -5.190   9.007  -0.412
  285    H    ILE  36           HN       ILE  36  -4.485  11.814   0.287
  286    HA   ILE  36           HA       ILE  36  -4.749  12.235  -2.602
  287    HB   ILE  36           HB       ILE  36  -2.842  13.554  -0.667
  288   1HG1  ILE  36          HG12      ILE  36  -5.111  14.437  -0.525
  289   2HG1  ILE  36          HG11      ILE  36  -4.033  15.615  -1.267
  290   1HG2  ILE  36          HG21      ILE  36  -1.664  13.294  -2.721
  291   2HG2  ILE  36          HG22      ILE  36  -2.224  14.967  -2.639
  292   3HG2  ILE  36          HG23      ILE  36  -3.072  13.804  -3.657
  293   1HD1  ILE  36          HD11      ILE  36  -5.959  13.829  -2.738
  294   2HD1  ILE  36          HD12      ILE  36  -4.895  15.033  -3.464
  295   3HD1  ILE  36          HD13      ILE  36  -6.193  15.541  -2.384
  296    H    ALA  37           HN       ALA  37  -4.338  10.016  -2.999
  297    HA   ALA  37           HA       ALA  37  -2.307   8.402  -2.375
  298   1HB   ALA  37          HB1       ALA  37  -3.220   8.920  -5.198
  299   2HB   ALA  37          HB2       ALA  37  -4.018   7.864  -4.032
  300   3HB   ALA  37          HB3       ALA  37  -2.400   7.470  -4.617
  301    H    GLU  38           HN       GLU  38  -1.989  11.082  -4.699
  302    HA   GLU  38           HA       GLU  38   0.634  10.644  -5.485
  303   1HB   GLU  38          HB2       GLU  38  -0.800  13.270  -5.123
  304   2HB   GLU  38          HB1       GLU  38   0.738  13.085  -5.950
  305   1HG   GLU  38          HG2       GLU  38  -0.441  11.490  -7.509
  306   2HG   GLU  38          HG1       GLU  38  -1.949  12.048  -6.780
  307    H    ALA  39           HN       ALA  39  -0.563  12.188  -2.557
  308    HA   ALA  39           HA       ALA  39   2.074  13.252  -1.969
  309   1HB   ALA  39          HB1       ALA  39  -0.461  13.402  -0.331
  310   2HB   ALA  39          HB2       ALA  39   0.151  14.633  -1.441
  311   3HB   ALA  39          HB3       ALA  39   1.054  14.235   0.020
  312    H    VAL  40           HN       VAL  40   0.010  10.567  -0.797
  313    HA   VAL  40           HA       VAL  40   1.893   9.698   1.115
  314    HB   VAL  40           HB       VAL  40   0.069   7.935  -0.498
  315   1HG1  VAL  40          HG11      VAL  40   1.799   6.770   0.774
  316   2HG1  VAL  40          HG12      VAL  40   0.209   6.489   1.483
  317   3HG1  VAL  40          HG13      VAL  40   1.321   7.632   2.235
  318   1HG2  VAL  40          HG21      VAL  40  -1.546   8.231   1.348
  319   2HG2  VAL  40          HG22      VAL  40  -1.237   9.736   0.481
  320   3HG2  VAL  40          HG23      VAL  40  -0.489   9.455   2.052
  321    H    GLU  41           HN       GLU  41   1.504   9.319  -2.308
  322    HA   GLU  41           HA       GLU  41   3.624   7.554  -2.837
  323   1HB   GLU  41          HB2       GLU  41   1.887   8.031  -4.466
  324   2HB   GLU  41          HB1       GLU  41   2.351   9.722  -4.515
  325   1HG   GLU  41          HG2       GLU  41   4.527   9.053  -5.470
  326   2HG   GLU  41          HG1       GLU  41   3.957   7.382  -5.504
  327    H    ARG  42           HN       ARG  42   3.519  11.052  -2.239
  328    HA   ARG  42           HA       ARG  42   5.982  11.837  -3.092
  329   1HB   ARG  42          HB2       ARG  42   4.578  12.622  -0.556
  330   2HB   ARG  42          HB1       ARG  42   5.919  13.499  -1.282
  331   1HG   ARG  42          HG2       ARG  42   3.206  13.065  -2.482
  332   2HG   ARG  42          HG1       ARG  42   3.842  14.575  -1.822
  333   1HD   ARG  42          HD2       ARG  42   4.313  14.941  -3.985
  334   2HD   ARG  42          HD1       ARG  42   5.761  14.028  -3.542
  335    HE   ARG  42           HE       ARG  42   3.746  12.269  -4.453
  336   1HH1  ARG  42          HH11      ARG  42   6.076  14.622  -5.599
  337   2HH1  ARG  42          HH12      ARG  42   6.148  13.955  -7.208
  338   1HH2  ARG  42          HH21      ARG  42   3.878  11.360  -6.576
  339   2HH2  ARG  42          HH22      ARG  42   4.905  12.116  -7.755
  340    H    GLU  43           HN       GLU  43   5.109  10.048  -0.270
  341    HA   GLU  43           HA       GLU  43   7.763  10.315   0.912
  342   1HB   GLU  43          HB2       GLU  43   5.281   9.053   2.084
  343   2HB   GLU  43          HB1       GLU  43   6.769   9.429   2.943
  344   1HG   GLU  43          HG2       GLU  43   6.347  11.848   2.307
  345   2HG   GLU  43          HG1       GLU  43   4.732  11.330   1.826
  346    H    GLN  44           HN       GLN  44   6.668   8.395  -1.333
  347    HA   GLN  44           HA       GLN  44   7.998   6.021  -0.210
  348   1HB   GLN  44          HB2       GLN  44   6.722   4.592  -1.728
  349   2HB   GLN  44          HB1       GLN  44   5.659   5.504  -0.676
  350   1HG   GLN  44          HG2       GLN  44   4.551   5.665  -2.656
  351   2HG   GLN  44          HG1       GLN  44   5.519   7.135  -2.705
  352   1HE2  GLN  44          HE21      GLN  44   5.158   3.905  -3.951
  353   2HE2  GLN  44          HE22      GLN  44   6.153   4.113  -5.345
  354    HA   PRO  45           HA       PRO  45  10.886   6.561  -3.513
  355   1HB   PRO  45          HB2       PRO  45  12.207   4.244  -3.367
  356   2HB   PRO  45          HB1       PRO  45  12.291   5.428  -2.057
  357   1HG   PRO  45          HG2       PRO  45  10.703   2.906  -2.236
  358   2HG   PRO  45          HG1       PRO  45  11.552   3.601  -0.845
  359   1HD   PRO  45          HD2       PRO  45   8.824   3.823  -1.337
  360   2HD   PRO  45          HD1       PRO  45   9.761   4.879  -0.263
  361    H    GLU  46           HN       GLU  46  11.551   5.684  -5.573
  362    HA   GLU  46           HA       GLU  46   9.404   4.513  -7.080
  363   1HB   GLU  46          HB2       GLU  46  10.777   6.093  -8.229
  364   2HB   GLU  46          HB1       GLU  46  12.254   5.283  -7.730
  365   1HG   GLU  46          HG2       GLU  46  11.660   3.362  -9.137
  366   2HG   GLU  46          HG1       GLU  46  10.219   4.226  -9.674
  367    H    HIS  47           HN       HIS  47  12.108   3.445  -5.317
  368    HA   HIS  47           HA       HIS  47  12.937   1.087  -6.371
  369   1HB   HIS  47          HB2       HIS  47  13.475   2.301  -4.097
  370   2HB   HIS  47          HB1       HIS  47  12.276   1.192  -3.445
  371    HD1  HIS  47           HD1      HIS  47  15.147   0.992  -2.482
  372    HD2  HIS  47           HD2      HIS  47  13.608  -1.190  -5.659
  373    HE1  HIS  47           HE1      HIS  47  16.728  -0.934  -2.801
  374    HE2  HIS  47           HE2      HIS  47  15.909  -2.106  -4.879
  375    H    LEU  48           HN       LEU  48   9.957   1.656  -4.554
  376    HA   LEU  48           HA       LEU  48   8.983  -0.962  -5.495
  377   1HB   LEU  48          HB2       LEU  48   8.246   0.502  -2.959
  378   2HB   LEU  48          HB1       LEU  48   7.372  -0.879  -3.573
  379    HG   LEU  48           HG       LEU  48   8.720  -1.690  -1.797
  380   1HD1  LEU  48          HD11      LEU  48  10.221  -3.245  -2.892
  381   2HD1  LEU  48          HD12      LEU  48  10.219  -2.271  -4.363
  382   3HD1  LEU  48          HD13      LEU  48   8.739  -3.078  -3.836
  383   1HD2  LEU  48          HD21      LEU  48  11.092  -1.250  -1.646
  384   2HD2  LEU  48          HD22      LEU  48  10.160   0.256  -1.640
  385   3HD2  LEU  48          HD23      LEU  48  11.033  -0.250  -3.101
  386    H    ARG  49           HN       ARG  49   8.776   1.348  -7.108
  387    HA   ARG  49           HA       ARG  49   6.257   2.600  -6.796
  388   1HB   ARG  49          HB2       ARG  49   7.978   3.552  -8.224
  389   2HB   ARG  49          HB1       ARG  49   7.915   2.151  -9.283
  390   1HG   ARG  49          HG2       ARG  49   5.757   2.729 -10.068
  391   2HG   ARG  49          HG1       ARG  49   5.565   3.964  -8.822
  392   1HD   ARG  49          HD2       ARG  49   6.100   4.877 -11.070
  393   2HD   ARG  49          HD1       ARG  49   7.259   5.328  -9.822
  394    HE   ARG  49           HE       ARG  49   8.706   3.537 -10.748
  395   1HH1  ARG  49          HH11      ARG  49   6.184   4.909 -12.750
  396   2HH1  ARG  49          HH12      ARG  49   7.042   4.630 -14.241
  397   1HH2  ARG  49          HH21      ARG  49   9.834   3.172 -12.700
  398   2HH2  ARG  49          HH22      ARG  49   9.116   3.640 -14.210
  399    H    SER  50           HN       SER  50   7.284  -0.078  -8.833
  400    HA   SER  50           HA       SER  50   4.760  -0.866  -9.797
  401   1HB   SER  50          HB2       SER  50   7.088  -2.705  -9.187
  402   2HB   SER  50          HB1       SER  50   5.804  -2.971 -10.369
  403    HG   SER  50           HG       SER  50   6.662  -1.478 -11.683
  404    H    TRP  51           HN       TRP  51   6.550  -1.813  -6.932
  405    HA   TRP  51           HA       TRP  51   4.690  -3.615  -5.835
  406   1HB   TRP  51          HB2       TRP  51   6.896  -3.752  -5.092
  407   2HB   TRP  51          HB1       TRP  51   7.042  -2.008  -4.872
  408    HD1  TRP  51           HD1      TRP  51   5.762  -1.125  -2.393
  409    HE1  TRP  51           HE1      TRP  51   5.812  -2.431  -0.187
  410    HE3  TRP  51           HE3      TRP  51   6.876  -5.717  -4.234
  411    HZ2  TRP  51           HZ2      TRP  51   6.319  -5.051   0.650
  412    HZ3  TRP  51           HZ3      TRP  51   7.153  -7.556  -2.701
  413    HH2  TRP  51           HH2      TRP  51   6.879  -7.264  -0.272
  414    H    PHE  52           HN       PHE  52   5.187  -0.128  -5.183
  415    HA   PHE  52           HA       PHE  52   3.174   0.296  -3.368
  416   1HB   PHE  52          HB2       PHE  52   4.720   2.054  -4.324
  417   2HB   PHE  52          HB1       PHE  52   3.656   2.131  -5.724
  418    HD1  PHE  52           HD1      PHE  52   3.829   2.680  -2.076
  419    HD2  PHE  52           HD2      PHE  52   1.653   3.397  -5.666
  420    HE1  PHE  52           HE1      PHE  52   2.429   4.319  -0.895
  421    HE2  PHE  52           HE2      PHE  52   0.248   5.044  -4.485
  422    HZ   PHE  52           HZ       PHE  52   0.640   5.507  -2.098
  423    H    ARG  53           HN       ARG  53   2.854   0.261  -6.900
  424    HA   ARG  53           HA       ARG  53   0.114   0.469  -7.155
  425   1HB   ARG  53          HB2       ARG  53   2.168  -0.128  -8.872
  426   2HB   ARG  53          HB1       ARG  53   1.283  -1.662  -8.790
  427   1HG   ARG  53          HG2       ARG  53  -0.692  -0.676  -9.599
  428   2HG   ARG  53          HG1       ARG  53  -0.067   0.957  -9.360
  429   1HD   ARG  53          HD2       ARG  53   1.098  -1.043 -11.289
  430   2HD   ARG  53          HD1       ARG  53  -0.066   0.204 -11.737
  431    HE   ARG  53           HE       ARG  53   1.691   1.804 -10.835
  432   1HH1  ARG  53          HH11      ARG  53   2.468  -1.275 -12.337
  433   2HH1  ARG  53          HH12      ARG  53   4.049  -0.758 -12.858
  434   1HH2  ARG  53          HH21      ARG  53   3.750   2.483 -11.542
  435   2HH2  ARG  53          HH22      ARG  53   4.757   1.389 -12.453
  436    H    GLU  54           HN       GLU  54   2.044  -2.495  -6.758
  437    HA   GLU  54           HA       GLU  54  -0.141  -4.213  -6.820
  438   1HB   GLU  54          HB2       GLU  54   2.570  -4.639  -5.579
  439   2HB   GLU  54          HB1       GLU  54   1.377  -5.908  -5.799
  440   1HG   GLU  54          HG2       GLU  54   1.458  -5.405  -8.260
  441   2HG   GLU  54          HG1       GLU  54   2.846  -4.370  -7.917
  442    H    ARG  55           HN       ARG  55   1.417  -2.573  -4.156
  443    HA   ARG  55           HA       ARG  55   0.113  -3.948  -2.058
  444   1HB   ARG  55          HB2       ARG  55   1.109  -1.095  -2.050
  445   2HB   ARG  55          HB1       ARG  55   0.783  -2.090  -0.641
  446   1HG   ARG  55          HG2       ARG  55   2.926  -2.623  -2.687
  447   2HG   ARG  55          HG1       ARG  55   3.176  -1.851  -1.124
  448   1HD   ARG  55          HD2       ARG  55   3.793  -4.045  -0.731
  449   2HD   ARG  55          HD1       ARG  55   2.135  -3.988  -0.143
  450    HE   ARG  55           HE       ARG  55   2.582  -4.926  -2.874
  451   1HH1  ARG  55          HH11      ARG  55   1.847  -5.621   0.470
  452   2HH1  ARG  55          HH12      ARG  55   1.320  -7.255   0.156
  453   1HH2  ARG  55          HH21      ARG  55   1.896  -7.075  -3.311
  454   2HH2  ARG  55          HH22      ARG  55   1.350  -8.076  -2.001
  455    H    LEU  56           HN       LEU  56  -0.568  -0.902  -3.767
  456    HA   LEU  56           HA       LEU  56  -3.029  -0.311  -2.604
  457   1HB   LEU  56          HB2       LEU  56  -2.167   0.049  -5.481
  458   2HB   LEU  56          HB1       LEU  56  -3.583   0.789  -4.763
  459    HG   LEU  56           HG       LEU  56  -0.715   1.338  -3.967
  460   1HD1  LEU  56          HD11      LEU  56  -2.728   3.033  -5.443
  461   2HD1  LEU  56          HD12      LEU  56  -1.329   2.236  -6.164
  462   3HD1  LEU  56          HD13      LEU  56  -1.099   3.518  -4.974
  463   1HD2  LEU  56          HD21      LEU  56  -3.312   2.562  -3.023
  464   2HD2  LEU  56          HD22      LEU  56  -1.698   3.137  -2.607
  465   3HD2  LEU  56          HD23      LEU  56  -2.233   1.546  -2.069
  466    H    ILE  57           HN       ILE  57  -2.234  -2.388  -5.365
  467    HA   ILE  57           HA       ILE  57  -4.702  -3.157  -6.200
  468    HB   ILE  57           HB       ILE  57  -2.095  -4.625  -6.097
  469   1HG1  ILE  57          HG12      ILE  57  -2.201  -2.620  -7.502
  470   2HG1  ILE  57          HG11      ILE  57  -2.007  -4.072  -8.472
  471   1HG2  ILE  57          HG21      ILE  57  -2.974  -6.231  -7.659
  472   2HG2  ILE  57          HG22      ILE  57  -4.566  -5.475  -7.574
  473   3HG2  ILE  57          HG23      ILE  57  -3.888  -6.268  -6.152
  474   1HD1  ILE  57          HD11      ILE  57  -4.581  -2.573  -8.039
  475   2HD1  ILE  57          HD12      ILE  57  -4.384  -4.021  -9.028
  476   3HD1  ILE  57          HD13      ILE  57  -3.578  -2.520  -9.488
  477    H    ALA  58           HN       ALA  58  -2.678  -4.910  -3.840
  478    HA   ALA  58           HA       ALA  58  -4.763  -6.804  -3.328
  479   1HB   ALA  58          HB1       ALA  58  -2.158  -6.383  -1.867
  480   2HB   ALA  58          HB2       ALA  58  -2.404  -7.445  -3.254
  481   3HB   ALA  58          HB3       ALA  58  -3.213  -7.788  -1.726
  482    H    HIS  59           HN       HIS  59  -3.650  -3.894  -1.717
  483    HA   HIS  59           HA       HIS  59  -5.009  -4.525   0.734
  484   1HB   HIS  59          HB2       HIS  59  -3.517  -2.078  -0.191
  485   2HB   HIS  59          HB1       HIS  59  -4.428  -2.095   1.316
  486    HD1  HIS  59           HD1      HIS  59  -3.416  -3.365   3.302
  487    HD2  HIS  59           HD2      HIS  59  -1.175  -3.668  -0.190
  488    HE1  HIS  59           HE1      HIS  59  -1.220  -4.382   3.984
  489    HE2  HIS  59           HE2      HIS  59   0.197  -4.318   1.903
  490    H    ARG  60           HN       ARG  60  -5.717  -2.711  -2.178
  491    HA   ARG  60           HA       ARG  60  -8.124  -1.575  -1.108
  492   1HB   ARG  60          HB2       ARG  60  -7.286  -2.010  -3.986
  493   2HB   ARG  60          HB1       ARG  60  -8.741  -1.157  -3.494
  494   1HG   ARG  60          HG2       ARG  60  -7.248   0.435  -2.235
  495   2HG   ARG  60          HG1       ARG  60  -5.881  -0.340  -3.039
  496   1HD   ARG  60          HD2       ARG  60  -6.352   1.497  -4.397
  497   2HD   ARG  60          HD1       ARG  60  -7.155   0.159  -5.221
  498    HE   ARG  60           HE       ARG  60  -8.535   2.131  -3.510
  499   1HH1  ARG  60          HH11      ARG  60  -8.480   0.003  -6.294
  500   2HH1  ARG  60          HH12      ARG  60 -10.105   0.378  -6.771
  501   1HH2  ARG  60          HH21      ARG  60 -10.630   2.647  -4.119
  502   2HH2  ARG  60          HH22      ARG  60 -11.354   1.896  -5.520
  503    H    LEU  61           HN       LEU  61  -7.294  -4.454  -3.025
  504    HA   LEU  61           HA       LEU  61  -9.906  -5.487  -3.246
  505   1HB   LEU  61          HB2       LEU  61  -7.293  -6.987  -3.057
  506   2HB   LEU  61          HB1       LEU  61  -8.819  -7.691  -3.547
  507    HG   LEU  61           HG       LEU  61  -7.253  -5.584  -5.027
  508   1HD1  LEU  61          HD11      LEU  61  -6.331  -7.815  -5.232
  509   2HD1  LEU  61          HD12      LEU  61  -7.075  -7.310  -6.751
  510   3HD1  LEU  61          HD13      LEU  61  -7.913  -8.445  -5.692
  511   1HD2  LEU  61          HD21      LEU  61  -8.975  -5.766  -6.760
  512   2HD2  LEU  61          HD22      LEU  61  -9.643  -5.154  -5.247
  513   3HD2  LEU  61          HD23      LEU  61  -9.913  -6.834  -5.714
  514    H    ALA  62           HN       ALA  62  -7.599  -5.510  -0.624
  515    HA   ALA  62           HA       ALA  62  -9.103  -7.404   0.943
  516   1HB   ALA  62          HB1       ALA  62  -6.943  -5.496   1.834
  517   2HB   ALA  62          HB2       ALA  62  -6.671  -7.126   1.217
  518   3HB   ALA  62          HB3       ALA  62  -7.549  -6.891   2.728
  519    H    SER  63           HN       SER  63  -8.785  -3.871   0.854
  520    HA   SER  63           HA       SER  63 -10.257  -3.484   3.255
  521   1HB   SER  63          HB2       SER  63 -10.271  -1.061   2.516
  522   2HB   SER  63          HB1       SER  63  -8.683  -1.807   2.686
  523    HG   SER  63           HG       SER  63  -8.392  -1.744   0.579
  524    H    VAL  64           HN       VAL  64 -11.203  -3.351  -0.180
  525    HA   VAL  64           HA       VAL  64 -13.694  -2.302   0.073
  526    HB   VAL  64           HB       VAL  64 -14.376  -3.761  -1.832
  527   1HG1  VAL  64          HG11      VAL  64 -13.388  -1.585  -2.199
  528   2HG1  VAL  64          HG12      VAL  64 -12.827  -2.722  -3.424
  529   3HG1  VAL  64          HG13      VAL  64 -11.773  -2.283  -2.080
  530   1HG2  VAL  64          HG21      VAL  64 -12.667  -5.108  -2.938
  531   2HG2  VAL  64          HG22      VAL  64 -13.054  -5.732  -1.335
  532   3HG2  VAL  64          HG23      VAL  64 -11.572  -4.809  -1.590
  533    H    ASN  65           HN       ASN  65 -12.920  -5.795   0.586
  534    HA   ASN  65           HA       ASN  65 -15.571  -6.343   1.484
  535   1HB   ASN  65          HB2       ASN  65 -13.021  -7.961   1.654
  536   2HB   ASN  65          HB1       ASN  65 -14.619  -8.568   2.075
  537   1HD2  ASN  65          HD21      ASN  65 -12.444  -7.748  -0.465
  538   2HD2  ASN  65          HD22      ASN  65 -13.398  -8.363  -1.772
  539    H    LEU  66           HN       LEU  66 -13.178  -4.684   3.023
  540    HA   LEU  66           HA       LEU  66 -12.761  -6.005   5.441
  541   1HB   LEU  66          HB2       LEU  66 -11.902  -3.654   4.315
  542   2HB   LEU  66          HB1       LEU  66 -12.852  -3.114   5.690
  543    HG   LEU  66           HG       LEU  66 -10.539  -3.264   6.323
  544   1HD1  LEU  66          HD11      LEU  66 -10.692  -4.779   8.235
  545   2HD1  LEU  66          HD12      LEU  66 -12.122  -5.527   7.526
  546   3HD1  LEU  66          HD13      LEU  66 -12.169  -3.838   8.029
  547   1HD2  LEU  66          HD21      LEU  66 -10.677  -6.158   5.489
  548   2HD2  LEU  66          HD22      LEU  66  -9.311  -5.383   6.291
  549   3HD2  LEU  66          HD23      LEU  66  -9.782  -4.880   4.668
  550    H    SER  67           HN       SER  67 -14.544  -2.925   5.377
  551    HA   SER  67           HA       SER  67 -16.544  -4.014   7.120
  552   1HB   SER  67          HB2       SER  67 -15.945  -2.263   8.906
  553   2HB   SER  67          HB1       SER  67 -14.935  -3.706   8.799
  554    HG   SER  67           HG       SER  67 -13.913  -1.960   7.127
  555    H    ARG  68           HN       ARG  68 -17.807  -2.066   8.166
  556    HA   ARG  68           HA       ARG  68 -19.327  -0.432   7.833
  557   1HB   ARG  68          HB2       ARG  68 -16.769   0.634   7.782
  558   2HB   ARG  68          HB1       ARG  68 -17.583   1.416   6.433
  559   1HG   ARG  68          HG2       ARG  68 -18.568   1.349   9.284
  560   2HG   ARG  68          HG1       ARG  68 -17.799   2.720   8.482
  561   1HD   ARG  68          HD2       ARG  68 -19.620   2.961   6.968
  562   2HD   ARG  68          HD1       ARG  68 -20.329   1.430   7.478
  563    HE   ARG  68           HE       ARG  68 -20.113   3.268   9.653
  564   1HH1  ARG  68          HH11      ARG  68 -22.031   2.466   6.829
  565   2HH1  ARG  68          HH12      ARG  68 -23.489   3.163   7.462
  566   1HH2  ARG  68          HH21      ARG  68 -22.054   4.186  10.489
  567   2HH2  ARG  68          HH22      ARG  68 -23.499   4.145   9.515
  568    H    LEU  69           HN       LEU  69 -18.651   1.560   5.443
  569    HA   LEU  69           HA       LEU  69 -20.211   0.007   3.499
  570   1HB   LEU  69          HB2       LEU  69 -21.711   1.461   4.749
  571   2HB   LEU  69          HB1       LEU  69 -20.712   2.851   4.373
  572    HG   LEU  69           HG       LEU  69 -21.257   2.546   1.966
  573   1HD1  LEU  69          HD11      LEU  69 -23.090   1.077   1.336
  574   2HD1  LEU  69          HD12      LEU  69 -23.196   0.479   2.991
  575   3HD1  LEU  69          HD13      LEU  69 -21.756   0.151   2.028
  576   1HD2  LEU  69          HD21      LEU  69 -23.574   3.353   2.144
  577   2HD2  LEU  69          HD22      LEU  69 -22.502   4.135   3.306
  578   3HD2  LEU  69          HD23      LEU  69 -23.599   2.862   3.838
  579    HA   PRO  70           HA       PRO  70 -17.039   1.980   0.899
  580   1HB   PRO  70          HB2       PRO  70 -16.246  -0.520  -0.107
  581   2HB   PRO  70          HB1       PRO  70 -15.368   0.457   1.070
  582   1HG   PRO  70          HG2       PRO  70 -16.552  -2.042   1.540
  583   2HG   PRO  70          HG1       PRO  70 -15.959  -0.915   2.769
  584   1HD   PRO  70          HD2       PRO  70 -18.741  -1.376   1.801
  585   2HD   PRO  70          HD1       PRO  70 -18.164  -0.941   3.426
  586    H    TYR  71           HN       TYR  71 -16.712   0.610  -1.549
  587    HA   TYR  71           HA       TYR  71 -17.639  -0.414  -3.336
  588   1HB   TYR  71          HB2       TYR  71 -19.917  -0.568  -1.464
  589   2HB   TYR  71          HB1       TYR  71 -20.091  -1.007  -3.170
  590    HD1  TYR  71           HD1      TYR  71 -18.845  -2.063   0.053
  591    HD2  TYR  71           HD2      TYR  71 -18.512  -2.613  -4.145
  592    HE1  TYR  71           HE1      TYR  71 -17.701  -4.212   0.422
  593    HE2  TYR  71           HE2      TYR  71 -17.375  -4.726  -3.795
  594    HH   TYR  71           HH       TYR  71 -17.246  -6.284  -0.727
  595    H    GLU  72           HN       GLU  72 -18.001   0.611  -5.093
  596    HA   GLU  72           HA       GLU  72 -19.779   2.859  -5.169
  597   1HB   GLU  72          HB2       GLU  72 -17.235   2.658  -6.781
  598   2HB   GLU  72          HB1       GLU  72 -18.327   4.033  -6.709
  599   1HG   GLU  72          HG2       GLU  72 -16.724   4.794  -5.311
  600   2HG   GLU  72          HG1       GLU  72 -17.692   3.912  -4.135
  601    HA   PRO  73           HA       PRO  73 -20.729  -0.474  -8.048
  602   1HB   PRO  73          HB2       PRO  73 -23.359  -0.804  -7.195
  603   2HB   PRO  73          HB1       PRO  73 -21.955  -1.663  -6.561
  604   1HG   PRO  73          HG2       PRO  73 -23.575   0.255  -5.217
  605   2HG   PRO  73          HG1       PRO  73 -22.116  -0.539  -4.607
  606   1HD   PRO  73          HD2       PRO  73 -22.445   2.153  -5.797
  607   2HD   PRO  73          HD1       PRO  73 -21.220   1.565  -4.652
  608    H    LYS  74           HN       LYS  74 -21.155   0.054 -10.101
  609    HA   LYS  74           HA       LYS  74 -23.072   2.142 -10.706
  610   1HB   LYS  74          HB2       LYS  74 -22.364   1.611 -13.126
  611   2HB   LYS  74          HB1       LYS  74 -21.205   2.386 -12.062
  612   1HG   LYS  74          HG2       LYS  74 -20.038   0.747 -13.295
  613   2HG   LYS  74          HG1       LYS  74 -20.201   0.131 -11.654
  614   1HD   LYS  74          HD2       LYS  74 -21.966  -1.349 -12.322
  615   2HD   LYS  74          HD1       LYS  74 -22.020  -0.632 -13.934
  616   1HE   LYS  74          HE2       LYS  74 -20.828  -2.758 -13.969
  617   2HE   LYS  74          HE1       LYS  74 -19.749  -1.422 -14.363
  618   1HZ   LYS  74          HZ1       LYS  74 -18.651  -2.908 -12.867
  619   2HZ   LYS  74          HZ2       LYS  74 -19.935  -2.846 -11.765
  620   3HZ   LYS  74          HZ3       LYS  74 -18.981  -1.469 -12.027
  621    H    LEU  75           HN       LEU  75 -23.214  -1.131 -10.214
  622    HA   LEU  75           HA       LEU  75 -25.184  -1.879 -12.017
  623   1HB   LEU  75          HB2       LEU  75 -24.559  -2.927  -9.272
  624   2HB   LEU  75          HB1       LEU  75 -25.669  -3.698 -10.388
  625    HG   LEU  75           HG       LEU  75 -22.711  -3.302 -10.847
  626   1HD1  LEU  75          HD11      LEU  75 -22.582  -5.726 -10.619
  627   2HD1  LEU  75          HD12      LEU  75 -24.304  -5.788 -10.244
  628   3HD1  LEU  75          HD13      LEU  75 -23.189  -4.978  -9.141
  629   1HD2  LEU  75          HD21      LEU  75 -24.783  -4.733 -12.507
  630   2HD2  LEU  75          HD22      LEU  75 -23.046  -4.718 -12.813
  631   3HD2  LEU  75          HD23      LEU  75 -23.975  -3.223 -12.931
  632    H    LYS  76           HN       LYS  76 -27.455  -2.015 -11.756
  633    HA   LYS  76           HA       LYS  76 -28.509  -0.065  -9.838
  634   1HB   LYS  76          HB2       LYS  76 -29.858  -1.249 -12.275
  635   2HB   LYS  76          HB1       LYS  76 -30.524  -0.002 -11.233
  636   1HG   LYS  76          HG2       LYS  76 -29.756   1.207 -13.038
  637   2HG   LYS  76          HG1       LYS  76 -28.415   1.342 -11.900
  638   1HD   LYS  76          HD2       LYS  76 -27.256  -0.479 -13.050
  639   2HD   LYS  76          HD1       LYS  76 -28.598  -0.623 -14.185
  640   1HE   LYS  76          HE2       LYS  76 -26.827   0.635 -15.211
  641   2HE   LYS  76          HE1       LYS  76 -28.190   1.707 -14.896
  642   1HZ   LYS  76          HZ1       LYS  76 -25.795   1.471 -13.156
  643   2HZ   LYS  76          HZ2       LYS  76 -27.069   2.575 -12.977
  644   3HZ   LYS  76          HZ3       LYS  76 -26.032   2.685 -14.313
  Start of MODEL    7
    1   1H    MET   1           HT1      MET   1  11.772  -5.855  10.816
    2   2H    MET   1           HT2      MET   1  11.073  -6.241   9.322
    3   3H    MET   1           HT3      MET   1  10.342  -5.091  10.322
    4    HA   MET   1           HA       MET   1  11.486  -4.031   8.502
    5   1HB   MET   1          HB2       MET   1  12.723  -3.657  11.232
    6   2HB   MET   1          HB1       MET   1  13.070  -2.599   9.873
    7   1HG   MET   1          HG2       MET   1  10.361  -3.063  11.096
    8   2HG   MET   1          HG1       MET   1  11.391  -1.656  11.365
    9   1HE   MET   1          HE1       MET   1   8.537  -0.115   9.206
   10   2HE   MET   1          HE2       MET   1   9.531   0.070  10.650
   11   3HE   MET   1          HE3       MET   1   8.421  -1.293  10.515
   12    H    LEU   2           HN       LEU   2  14.026  -5.269  10.696
   13    HA   LEU   2           HA       LEU   2  15.521  -6.473   8.576
   14   1HB   LEU   2          HB2       LEU   2  15.932  -4.064   8.116
   15   2HB   LEU   2          HB1       LEU   2  16.572  -3.883   9.737
   16    HG   LEU   2           HG       LEU   2  18.371  -5.527   9.132
   17   1HD1  LEU   2          HD11      LEU   2  18.775  -5.956   6.760
   18   2HD1  LEU   2          HD12      LEU   2  17.266  -5.137   6.354
   19   3HD1  LEU   2          HD13      LEU   2  17.234  -6.631   7.288
   20   1HD2  LEU   2          HD21      LEU   2  18.165  -2.995   7.505
   21   2HD2  LEU   2          HD22      LEU   2  19.649  -3.908   7.779
   22   3HD2  LEU   2          HD23      LEU   2  18.814  -3.153   9.137
   23    H    LYS   3           HN       LYS   3  16.959  -7.931   9.439
   24    HA   LYS   3           HA       LYS   3  17.342  -7.791  12.355
   25   1HB   LYS   3          HB2       LYS   3  17.316 -10.125  10.455
   26   2HB   LYS   3          HB1       LYS   3  17.958 -10.258  12.087
   27   1HG   LYS   3          HG2       LYS   3  15.151  -9.401  11.406
   28   2HG   LYS   3          HG1       LYS   3  15.628 -11.030  11.892
   29   1HD   LYS   3          HD2       LYS   3  16.447 -10.151  14.028
   30   2HD   LYS   3          HD1       LYS   3  15.971  -8.524  13.542
   31   1HE   LYS   3          HE2       LYS   3  14.338  -9.570  15.054
   32   2HE   LYS   3          HE1       LYS   3  13.643  -9.189  13.479
   33   1HZ   LYS   3          HZ1       LYS   3  13.047 -11.419  14.392
   34   2HZ   LYS   3          HZ2       LYS   3  14.671 -11.879  14.195
   35   3HZ   LYS   3          HZ3       LYS   3  13.740 -11.450  12.845
   36    H    ASN   4           HN       ASN   4  19.210  -9.497   9.852
   37    HA   ASN   4           HA       ASN   4  21.445  -7.728  10.150
   38   1HB   ASN   4          HB2       ASN   4  21.758  -9.037  12.184
   39   2HB   ASN   4          HB1       ASN   4  21.693 -10.533  11.255
   40   1HD2  ASN   4          HD21      ASN   4  23.559  -7.624  11.873
   41   2HD2  ASN   4          HD22      ASN   4  25.063  -8.237  11.259
   42    H    LEU   5           HN       LEU   5  20.849  -7.668   7.941
   43    HA   LEU   5           HA       LEU   5  22.742  -9.229   6.433
   44   1HB   LEU   5          HB2       LEU   5  19.789  -9.309   5.822
   45   2HB   LEU   5          HB1       LEU   5  20.993  -9.562   4.577
   46    HG   LEU   5           HG       LEU   5  20.681 -11.276   7.043
   47   1HD1  LEU   5          HD11      LEU   5  18.779 -11.494   5.530
   48   2HD1  LEU   5          HD12      LEU   5  19.779 -12.947   5.508
   49   3HD1  LEU   5          HD13      LEU   5  19.877 -11.789   4.182
   50   1HD2  LEU   5          HD21      LEU   5  22.387 -11.607   4.576
   51   2HD2  LEU   5          HD22      LEU   5  22.210 -12.791   5.870
   52   3HD2  LEU   5          HD23      LEU   5  22.967 -11.233   6.199
   53    H    ALA   6           HN       ALA   6  23.872  -7.388   5.960
   54    HA   ALA   6           HA       ALA   6  22.361  -5.235   4.662
   55   1HB   ALA   6          HB1       ALA   6  23.532  -3.550   5.951
   56   2HB   ALA   6          HB2       ALA   6  24.380  -4.808   6.851
   57   3HB   ALA   6          HB3       ALA   6  22.631  -4.637   7.006
   58    H    LYS   7           HN       LYS   7  23.341  -6.351   2.798
   59    HA   LYS   7           HA       LYS   7  25.982  -5.172   2.248
   60   1HB   LYS   7          HB2       LYS   7  25.924  -7.524   1.716
   61   2HB   LYS   7          HB1       LYS   7  24.409  -7.340   0.842
   62   1HG   LYS   7          HG2       LYS   7  25.560  -5.979  -0.843
   63   2HG   LYS   7          HG1       LYS   7  27.080  -6.209   0.026
   64   1HD   LYS   7          HD2       LYS   7  27.031  -8.568  -0.381
   65   2HD   LYS   7          HD1       LYS   7  25.397  -8.470  -1.041
   66   1HE   LYS   7          HE2       LYS   7  27.035  -8.673  -2.825
   67   2HE   LYS   7          HE1       LYS   7  26.222  -7.111  -2.892
   68   1HZ   LYS   7          HZ1       LYS   7  28.931  -7.619  -1.777
   69   2HZ   LYS   7          HZ2       LYS   7  28.150  -6.113  -1.800
   70   3HZ   LYS   7          HZ3       LYS   7  28.583  -6.864  -3.257
   71    H    LEU   8           HN       LEU   8  22.785  -5.676   0.863
   72    HA   LEU   8           HA       LEU   8  22.578  -2.883   0.141
   73   1HB   LEU   8          HB2       LEU   8  21.844  -3.563  -2.224
   74   2HB   LEU   8          HB1       LEU   8  23.562  -3.515  -1.888
   75    HG   LEU   8           HG       LEU   8  23.314  -6.061  -1.442
   76   1HD1  LEU   8          HD11      LEU   8  20.867  -5.570  -3.131
   77   2HD1  LEU   8          HD12      LEU   8  20.881  -6.146  -1.465
   78   3HD1  LEU   8          HD13      LEU   8  21.563  -7.145  -2.747
   79   1HD2  LEU   8          HD21      LEU   8  24.598  -5.138  -3.263
   80   2HD2  LEU   8          HD22      LEU   8  23.130  -4.878  -4.207
   81   3HD2  LEU   8          HD23      LEU   8  23.661  -6.519  -3.836
   82    H    ASP   9           HN       ASP   9  21.456  -4.971   1.872
   83    HA   ASP   9           HA       ASP   9  18.834  -5.557   0.761
   84   1HB   ASP   9          HB2       ASP   9  20.075  -6.579   3.312
   85   2HB   ASP   9          HB1       ASP   9  18.658  -7.225   2.486
   86    H    GLN  10           HN       GLN  10  19.365  -2.912   1.502
   87    HA   GLN  10           HA       GLN  10  17.980  -2.561   3.991
   88   1HB   GLN  10          HB2       GLN  10  18.785  -0.458   1.973
   89   2HB   GLN  10          HB1       GLN  10  18.303  -0.172   3.638
   90   1HG   GLN  10          HG2       GLN  10  20.303  -1.194   4.461
   91   2HG   GLN  10          HG1       GLN  10  20.754  -1.729   2.842
   92   1HE2  GLN  10          HE21      GLN  10  22.230  -0.054   4.713
   93   2HE2  GLN  10          HE22      GLN  10  22.511   1.449   3.904
   94    H    THR  11           HN       THR  11  17.123  -3.312   0.961
   95    HA   THR  11           HA       THR  11  14.908  -1.465   0.613
   96    HB   THR  11           HB       THR  11  15.805  -3.793  -1.117
   97    HG1  THR  11           HG1      THR  11  16.509  -1.048  -1.004
   98   1HG2  THR  11          HG21      THR  11  14.020  -1.441  -1.759
   99   2HG2  THR  11          HG22      THR  11  13.479  -3.105  -1.535
  100   3HG2  THR  11          HG23      THR  11  14.532  -2.689  -2.889
  101    H    GLU  12           HN       GLU  12  15.326  -4.645   2.065
  102    HA   GLU  12           HA       GLU  12  12.672  -5.413   1.829
  103   1HB   GLU  12          HB2       GLU  12  14.692  -5.799   4.012
  104   2HB   GLU  12          HB1       GLU  12  13.113  -6.577   4.021
  105   1HG   GLU  12          HG2       GLU  12  13.669  -7.716   1.931
  106   2HG   GLU  12          HG1       GLU  12  15.250  -6.934   1.933
  107    H    MET  13           HN       MET  13  14.222  -2.989   3.556
  108    HA   MET  13           HA       MET  13  12.082  -2.472   5.409
  109   1HB   MET  13          HB2       MET  13  14.559  -0.857   4.741
  110   2HB   MET  13          HB1       MET  13  13.403  -0.449   5.999
  111   1HG   MET  13          HG2       MET  13  13.925  -2.591   7.118
  112   2HG   MET  13          HG1       MET  13  15.165  -2.885   5.901
  113   1HE   MET  13          HE1       MET  13  14.183   0.566   7.490
  114   2HE   MET  13          HE2       MET  13  15.295   0.656   8.855
  115   3HE   MET  13          HE3       MET  13  14.006  -0.548   8.848
  116    H    ASP  14           HN       ASP  14  13.542  -1.101   2.494
  117    HA   ASP  14           HA       ASP  14  11.806   0.819   1.894
  118   1HB   ASP  14          HB2       ASP  14  13.177  -1.143   0.124
  119   2HB   ASP  14          HB1       ASP  14  12.095   0.061  -0.559
  120    H    LYS  15           HN       LYS  15  11.352  -2.583   1.028
  121    HA   LYS  15           HA       LYS  15   8.830  -2.523  -0.102
  122   1HB   LYS  15          HB2       LYS  15  10.071  -4.663   1.633
  123   2HB   LYS  15          HB1       LYS  15   8.674  -4.892   0.590
  124   1HG   LYS  15          HG2       LYS  15   9.963  -4.643  -1.364
  125   2HG   LYS  15          HG1       LYS  15  11.328  -3.969  -0.470
  126   1HD   LYS  15          HD2       LYS  15  11.856  -6.233  -1.060
  127   2HD   LYS  15          HD1       LYS  15  11.578  -6.163   0.679
  128   1HE   LYS  15          HE2       LYS  15  10.470  -8.101  -0.054
  129   2HE   LYS  15          HE1       LYS  15   9.202  -6.901   0.182
  130   1HZ   LYS  15          HZ1       LYS  15  10.436  -7.603  -2.429
  131   2HZ   LYS  15          HZ2       LYS  15   9.179  -6.495  -2.195
  132   3HZ   LYS  15          HZ3       LYS  15   8.922  -8.138  -1.884
  133    H    VAL  16           HN       VAL  16   9.544  -3.235   3.379
  134    HA   VAL  16           HA       VAL  16   6.848  -3.469   4.046
  135    HB   VAL  16           HB       VAL  16   7.662  -3.091   6.376
  136   1HG1  VAL  16          HG11      VAL  16   8.832  -5.243   6.500
  137   2HG1  VAL  16          HG12      VAL  16   9.032  -5.206   4.747
  138   3HG1  VAL  16          HG13      VAL  16   7.417  -5.313   5.448
  139   1HG2  VAL  16          HG21      VAL  16  10.347  -3.013   5.064
  140   2HG2  VAL  16          HG22      VAL  16  10.059  -3.163   6.798
  141   3HG2  VAL  16          HG23      VAL  16   9.577  -1.696   5.946
  142    H    ASN  17           HN       ASN  17   9.039  -0.721   4.092
  143    HA   ASN  17           HA       ASN  17   7.307   1.126   5.295
  144   1HB   ASN  17          HB2       ASN  17   9.635   1.431   3.424
  145   2HB   ASN  17          HB1       ASN  17   8.678   2.831   3.897
  146   1HD2  ASN  17          HD21      ASN  17   8.141   1.684   6.562
  147   2HD2  ASN  17          HD22      ASN  17   9.607   1.901   7.458
  148    H    VAL  18           HN       VAL  18   7.870   0.541   1.765
  149    HA   VAL  18           HA       VAL  18   5.923   2.352   0.971
  150    HB   VAL  18           HB       VAL  18   6.955  -0.014  -0.547
  151   1HG1  VAL  18          HG11      VAL  18   4.848   0.826  -1.462
  152   2HG1  VAL  18          HG12      VAL  18   6.197   1.238  -2.521
  153   3HG1  VAL  18          HG13      VAL  18   5.495   2.467  -1.467
  154   1HG2  VAL  18          HG21      VAL  18   8.444   1.648  -1.571
  155   2HG2  VAL  18          HG22      VAL  18   8.704   1.539   0.169
  156   3HG2  VAL  18          HG23      VAL  18   7.790   2.890  -0.501
  157    H    ASP  19           HN       ASP  19   5.765  -0.974   1.941
  158    HA   ASP  19           HA       ASP  19   3.120  -1.528   1.096
  159   1HB   ASP  19          HB2       ASP  19   4.569  -3.364   1.686
  160   2HB   ASP  19          HB1       ASP  19   4.798  -2.727   3.310
  161    H    LEU  20           HN       LEU  20   4.425  -0.510   4.254
  162    HA   LEU  20           HA       LEU  20   2.029  -0.407   5.655
  163   1HB   LEU  20          HB2       LEU  20   4.552   1.210   5.958
  164   2HB   LEU  20          HB1       LEU  20   3.208   1.335   7.077
  165    HG   LEU  20           HG       LEU  20   4.738  -1.209   6.525
  166   1HD1  LEU  20          HD11      LEU  20   4.883   0.632   8.910
  167   2HD1  LEU  20          HD12      LEU  20   6.108   0.510   7.649
  168   3HD1  LEU  20          HD13      LEU  20   5.770  -0.876   8.687
  169   1HD2  LEU  20          HD21      LEU  20   3.563  -2.022   8.526
  170   2HD2  LEU  20          HD22      LEU  20   2.448  -1.609   7.222
  171   3HD2  LEU  20          HD23      LEU  20   2.651  -0.513   8.589
  172    H    ALA  21           HN       ALA  21   3.672   2.254   3.920
  173    HA   ALA  21           HA       ALA  21   1.727   4.200   4.437
  174   1HB   ALA  21          HB1       ALA  21   3.970   4.712   3.615
  175   2HB   ALA  21          HB2       ALA  21   2.730   5.430   2.589
  176   3HB   ALA  21          HB3       ALA  21   3.573   3.973   2.063
  177    H    ALA  22           HN       ALA  22   2.159   2.069   1.621
  178    HA   ALA  22           HA       ALA  22  -0.077   3.042   0.205
  179   1HB   ALA  22          HB1       ALA  22   1.766   1.818  -0.851
  180   2HB   ALA  22          HB2       ALA  22   0.192   1.119  -1.231
  181   3HB   ALA  22          HB3       ALA  22   1.235   0.344  -0.040
  182    H    ALA  23           HN       ALA  23   0.149   0.911   2.886
  183    HA   ALA  23           HA       ALA  23  -2.289  -0.541   2.364
  184   1HB   ALA  23          HB1       ALA  23  -1.965  -1.481   4.564
  185   2HB   ALA  23          HB2       ALA  23  -0.759  -0.252   4.950
  186   3HB   ALA  23          HB3       ALA  23  -0.411  -1.475   3.724
  187    H    GLY  24           HN       GLY  24  -1.125   2.078   4.366
  188   1HA   GLY  24          HA2       GLY  24  -3.561   2.498   5.741
  189   2HA   GLY  24          HA1       GLY  24  -2.181   3.585   5.677
  190    H    VAL  25           HN       VAL  25  -1.981   3.991   2.977
  191    HA   VAL  25           HA       VAL  25  -3.911   5.976   2.473
  192    HB   VAL  25           HB       VAL  25  -2.015   4.616   0.546
  193   1HG1  VAL  25          HG11      VAL  25  -3.514   7.213   0.257
  194   2HG1  VAL  25          HG12      VAL  25  -3.851   5.724  -0.626
  195   3HG1  VAL  25          HG13      VAL  25  -2.323   6.569  -0.874
  196   1HG2  VAL  25          HG21      VAL  25  -0.671   6.708   0.877
  197   2HG2  VAL  25          HG22      VAL  25  -0.788   5.674   2.308
  198   3HG2  VAL  25          HG23      VAL  25  -1.776   7.128   2.193
  199    H    ALA  26           HN       ALA  26  -3.464   2.745   1.034
  200    HA   ALA  26           HA       ALA  26  -5.634   2.639  -0.635
  201   1HB   ALA  26          HB1       ALA  26  -3.972   0.845  -0.443
  202   2HB   ALA  26          HB2       ALA  26  -5.625   0.232  -0.400
  203   3HB   ALA  26          HB3       ALA  26  -4.692   0.357   1.091
  204    H    PHE  27           HN       PHE  27  -5.666   1.817   2.847
  205    HA   PHE  27           HA       PHE  27  -8.392   1.183   3.000
  206   1HB   PHE  27          HB2       PHE  27  -6.545   2.341   5.099
  207   2HB   PHE  27          HB1       PHE  27  -8.187   1.805   5.440
  208    HD1  PHE  27           HD1      PHE  27  -5.259   0.839   6.342
  209    HD2  PHE  27           HD2      PHE  27  -8.279  -0.643   3.733
  210    HE1  PHE  27           HE1      PHE  27  -4.427  -1.454   6.683
  211    HE2  PHE  27           HE2      PHE  27  -7.454  -2.934   4.070
  212    HZ   PHE  27           HZ       PHE  27  -5.526  -3.343   5.544
  213    H    LYS  28           HN       LYS  28  -6.876   4.234   4.021
  214    HA   LYS  28           HA       LYS  28  -9.042   5.856   4.282
  215   1HB   LYS  28          HB2       LYS  28  -6.402   6.528   3.032
  216   2HB   LYS  28          HB1       LYS  28  -7.629   7.741   3.371
  217   1HG   LYS  28          HG2       LYS  28  -7.569   6.941   5.766
  218   2HG   LYS  28          HG1       LYS  28  -6.122   6.031   5.325
  219   1HD   LYS  28          HD2       LYS  28  -5.004   8.065   4.654
  220   2HD   LYS  28          HD1       LYS  28  -6.463   9.005   4.969
  221   1HE   LYS  28          HE2       LYS  28  -6.325   8.276   7.351
  222   2HE   LYS  28          HE1       LYS  28  -4.773   7.529   6.978
  223   1HZ   LYS  28          HZ1       LYS  28  -4.446   9.703   7.921
  224   2HZ   LYS  28          HZ2       LYS  28  -5.432  10.416   6.739
  225   3HZ   LYS  28          HZ3       LYS  28  -3.947   9.717   6.301
  226    H    GLU  29           HN       GLU  29  -7.338   5.596   1.168
  227    HA   GLU  29           HA       GLU  29  -9.053   7.197  -0.269
  228   1HB   GLU  29          HB2       GLU  29  -6.768   6.429  -0.904
  229   2HB   GLU  29          HB1       GLU  29  -7.439   4.847  -1.265
  230   1HG   GLU  29          HG2       GLU  29  -8.583   7.227  -2.593
  231   2HG   GLU  29          HG1       GLU  29  -7.020   6.624  -3.125
  232    H    ARG  30           HN       ARG  30  -8.960   3.633  -0.159
  233    HA   ARG  30           HA       ARG  30 -10.998   3.434  -2.118
  234   1HB   ARG  30          HB2       ARG  30  -9.201   1.743  -1.798
  235   2HB   ARG  30          HB1       ARG  30  -9.999   1.242  -0.311
  236   1HG   ARG  30          HG2       ARG  30 -10.690  -0.278  -1.973
  237   2HG   ARG  30          HG1       ARG  30 -12.057   0.799  -1.693
  238   1HD   ARG  30          HD2       ARG  30 -10.177   0.706  -4.025
  239   2HD   ARG  30          HD1       ARG  30 -11.933   0.586  -4.024
  240    HE   ARG  30           HE       ARG  30 -10.359   3.054  -3.661
  241   1HH1  ARG  30          HH11      ARG  30 -13.384   1.483  -4.480
  242   2HH1  ARG  30          HH12      ARG  30 -14.209   2.970  -4.810
  243   1HH2  ARG  30          HH21      ARG  30 -11.399   4.994  -4.106
  244   2HH2  ARG  30          HH22      ARG  30 -13.068   4.995  -4.611
  245    H    TYR  31           HN       TYR  31 -10.983   3.189   1.395
  246    HA   TYR  31           HA       TYR  31 -13.573   2.109   1.614
  247   1HB   TYR  31          HB2       TYR  31 -11.728   3.488   3.493
  248   2HB   TYR  31          HB1       TYR  31 -13.427   3.331   3.947
  249    HD1  TYR  31           HD1      TYR  31 -14.350   0.847   3.212
  250    HD2  TYR  31           HD2      TYR  31 -10.388   1.816   4.399
  251    HE1  TYR  31           HE1      TYR  31 -13.997  -1.477   3.892
  252    HE2  TYR  31           HE2      TYR  31 -10.024  -0.511   5.089
  253    HH   TYR  31           HH       TYR  31 -11.345  -2.434   5.799
  254    H    ASN  32           HN       ASN  32 -12.487   5.550   1.853
  255    HA   ASN  32           HA       ASN  32 -14.575   6.563   0.326
  256   1HB   ASN  32          HB2       ASN  32 -15.965   5.621   2.249
  257   2HB   ASN  32          HB1       ASN  32 -15.267   6.888   3.246
  258   1HD2  ASN  32          HD21      ASN  32 -16.144   7.222  -0.144
  259   2HD2  ASN  32          HD22      ASN  32 -17.445   8.338   0.112
  260    H    MET  33           HN       MET  33 -11.745   7.092   1.133
  261    HA   MET  33           HA       MET  33 -12.173   9.874   2.056
  262   1HB   MET  33          HB2       MET  33 -11.160   8.315   3.792
  263   2HB   MET  33          HB1       MET  33  -9.734   8.257   2.766
  264   1HG   MET  33          HG2       MET  33  -9.426   9.874   4.521
  265   2HG   MET  33          HG1       MET  33  -9.511  10.690   2.960
  266   1HE   MET  33          HE1       MET  33  -9.976  13.057   4.067
  267   2HE   MET  33          HE2       MET  33  -9.781  12.290   5.643
  268   3HE   MET  33          HE3       MET  33 -11.182  13.314   5.328
  269    HA   PRO  34           HA       PRO  34 -10.006  10.883  -1.684
  270   1HB   PRO  34          HB2       PRO  34  -9.930  13.599  -0.573
  271   2HB   PRO  34          HB1       PRO  34 -10.745  13.005  -2.024
  272   1HG   PRO  34          HG2       PRO  34 -12.116  13.755   0.162
  273   2HG   PRO  34          HG1       PRO  34 -12.658  12.417  -0.868
  274   1HD   PRO  34          HD2       PRO  34 -11.199  12.316   1.750
  275   2HD   PRO  34          HD1       PRO  34 -12.574  11.339   1.185
  276    H    VAL  35           HN       VAL  35  -8.437   9.820   0.480
  277    HA   VAL  35           HA       VAL  35  -6.273  11.545   1.114
  278    HB   VAL  35           HB       VAL  35  -6.909   9.287   2.271
  279   1HG1  VAL  35          HG11      VAL  35  -5.148   8.227   0.068
  280   2HG1  VAL  35          HG12      VAL  35  -6.871   7.911   0.258
  281   3HG1  VAL  35          HG13      VAL  35  -5.731   7.330   1.472
  282   1HG2  VAL  35          HG21      VAL  35  -4.024   9.915   1.617
  283   2HG2  VAL  35          HG22      VAL  35  -4.587   8.930   2.967
  284   3HG2  VAL  35          HG23      VAL  35  -4.982  10.648   2.903
  285    H    ILE  36           HN       ILE  36  -4.395  11.960  -0.042
  286    HA   ILE  36           HA       ILE  36  -4.664  11.375  -2.855
  287    HB   ILE  36           HB       ILE  36  -2.605  13.109  -1.489
  288   1HG1  ILE  36          HG12      ILE  36  -5.170  13.936  -2.850
  289   2HG1  ILE  36          HG11      ILE  36  -4.995  13.804  -1.102
  290   1HG2  ILE  36          HG21      ILE  36  -1.943  12.428  -3.725
  291   2HG2  ILE  36          HG22      ILE  36  -2.394  14.134  -3.719
  292   3HG2  ILE  36          HG23      ILE  36  -3.515  12.932  -4.355
  293   1HD1  ILE  36          HD11      ILE  36  -3.500  15.679  -2.921
  294   2HD1  ILE  36          HD12      ILE  36  -3.234  15.525  -1.185
  295   3HD1  ILE  36          HD13      ILE  36  -4.786  16.102  -1.792
  296    H    ALA  37           HN       ALA  37  -4.187   9.085  -2.611
  297    HA   ALA  37           HA       ALA  37  -1.939   7.817  -1.946
  298   1HB   ALA  37          HB1       ALA  37  -3.834   6.760  -3.075
  299   2HB   ALA  37          HB2       ALA  37  -2.296   6.290  -3.802
  300   3HB   ALA  37          HB3       ALA  37  -3.321   7.480  -4.602
  301    H    GLU  38           HN       GLU  38  -2.254   9.608  -5.007
  302    HA   GLU  38           HA       GLU  38   0.317   9.067  -5.948
  303   1HB   GLU  38          HB2       GLU  38   0.069  10.829  -7.525
  304   2HB   GLU  38          HB1       GLU  38  -1.501  10.062  -7.313
  305   1HG   GLU  38          HG2       GLU  38  -2.221  11.848  -5.887
  306   2HG   GLU  38          HG1       GLU  38  -0.624  12.581  -5.958
  307    H    ALA  39           HN       ALA  39  -0.671  11.376  -3.551
  308    HA   ALA  39           HA       ALA  39   1.910  12.728  -3.595
  309   1HB   ALA  39          HB1       ALA  39   1.059  14.049  -1.719
  310   2HB   ALA  39          HB2       ALA  39  -0.374  13.023  -1.627
  311   3HB   ALA  39          HB3       ALA  39  -0.098  14.030  -3.049
  312    H    VAL  40           HN       VAL  40   0.318  10.162  -1.655
  313    HA   VAL  40           HA       VAL  40   2.473   9.908   0.129
  314    HB   VAL  40           HB       VAL  40   0.654   7.733  -0.870
  315   1HG1  VAL  40          HG11      VAL  40   1.139   6.699   1.296
  316   2HG1  VAL  40          HG12      VAL  40   2.225   8.030   1.692
  317   3HG1  VAL  40          HG13      VAL  40   2.619   6.936   0.365
  318   1HG2  VAL  40          HG21      VAL  40   0.315   9.655   1.432
  319   2HG2  VAL  40          HG22      VAL  40  -0.766   8.320   1.034
  320   3HG2  VAL  40          HG23      VAL  40  -0.601   9.681  -0.074
  321    H    GLU  41           HN       GLU  41   1.821   8.737  -3.104
  322    HA   GLU  41           HA       GLU  41   4.098   7.187  -3.559
  323   1HB   GLU  41          HB2       GLU  41   2.240   7.357  -5.150
  324   2HB   GLU  41          HB1       GLU  41   2.608   9.049  -5.429
  325   1HG   GLU  41          HG2       GLU  41   3.496   8.013  -7.278
  326   2HG   GLU  41          HG1       GLU  41   4.898   8.197  -6.226
  327    H    ARG  42           HN       ARG  42   3.596  10.740  -3.795
  328    HA   ARG  42           HA       ARG  42   6.046  11.622  -4.442
  329   1HB   ARG  42          HB2       ARG  42   3.974  12.680  -2.655
  330   2HB   ARG  42          HB1       ARG  42   5.578  13.355  -2.430
  331   1HG   ARG  42          HG2       ARG  42   4.291  14.726  -3.935
  332   2HG   ARG  42          HG1       ARG  42   5.638  13.979  -4.797
  333   1HD   ARG  42          HD2       ARG  42   4.284  12.754  -6.103
  334   2HD   ARG  42          HD1       ARG  42   3.137  12.450  -4.808
  335    HE   ARG  42           HE       ARG  42   2.827  15.107  -5.432
  336   1HH1  ARG  42          HH11      ARG  42   2.692  12.116  -7.256
  337   2HH1  ARG  42          HH12      ARG  42   1.426  12.671  -8.311
  338   1HH2  ARG  42          HH21      ARG  42   1.148  15.828  -6.818
  339   2HH2  ARG  42          HH22      ARG  42   0.547  14.766  -8.056
  340    H    GLU  43           HN       GLU  43   5.172  10.170  -1.333
  341    HA   GLU  43           HA       GLU  43   7.655  11.024  -0.085
  342   1HB   GLU  43          HB2       GLU  43   5.340   9.389   0.977
  343   2HB   GLU  43          HB1       GLU  43   6.727   9.897   1.929
  344   1HG   GLU  43          HG2       GLU  43   6.120  12.229   1.581
  345   2HG   GLU  43          HG1       GLU  43   4.733  11.729   0.611
  346    H    GLN  44           HN       GLN  44   6.423   8.254  -1.710
  347    HA   GLN  44           HA       GLN  44   8.414   6.516  -0.433
  348   1HB   GLN  44          HB2       GLN  44   6.097   5.769  -2.221
  349   2HB   GLN  44          HB1       GLN  44   7.152   4.646  -1.374
  350   1HG   GLN  44          HG2       GLN  44   5.267   6.622  -0.107
  351   2HG   GLN  44          HG1       GLN  44   5.027   4.881  -0.230
  352   1HE2  GLN  44          HE21      GLN  44   7.811   4.260   0.352
  353   2HE2  GLN  44          HE22      GLN  44   8.032   4.551   2.041
  354    HA   PRO  45           HA       PRO  45  10.994   6.722  -4.019
  355   1HB   PRO  45          HB2       PRO  45  11.953   4.035  -3.315
  356   2HB   PRO  45          HB1       PRO  45  12.834   5.564  -3.356
  357   1HG   PRO  45          HG2       PRO  45  12.219   4.336  -1.040
  358   2HG   PRO  45          HG1       PRO  45  12.265   6.104  -1.186
  359   1HD   PRO  45          HD2       PRO  45   9.903   4.259  -1.172
  360   2HD   PRO  45          HD1       PRO  45  10.105   5.839  -0.384
  361    H    GLU  46           HN       GLU  46  11.265   5.808  -6.071
  362    HA   GLU  46           HA       GLU  46   9.028   4.441  -7.132
  363   1HB   GLU  46          HB2       GLU  46  10.269   5.914  -8.552
  364   2HB   GLU  46          HB1       GLU  46  11.762   5.032  -8.263
  365   1HG   GLU  46          HG2       GLU  46  10.928   3.130  -9.481
  366   2HG   GLU  46          HG1       GLU  46   9.363   3.920  -9.694
  367    H    HIS  47           HN       HIS  47  11.957   3.385  -5.715
  368    HA   HIS  47           HA       HIS  47  12.495   0.940  -6.750
  369   1HB   HIS  47          HB2       HIS  47  13.438   2.247  -4.649
  370   2HB   HIS  47          HB1       HIS  47  12.356   1.174  -3.769
  371    HD1  HIS  47           HD1      HIS  47  15.588   1.223  -3.796
  372    HD2  HIS  47           HD2      HIS  47  13.073  -1.552  -5.602
  373    HE1  HIS  47           HE1      HIS  47  16.984  -0.839  -4.129
  374    HE2  HIS  47           HE2      HIS  47  15.404  -2.554  -5.076
  375    H    LEU  48           HN       LEU  48   9.847   1.758  -4.552
  376    HA   LEU  48           HA       LEU  48   8.688  -0.897  -5.113
  377   1HB   LEU  48          HB2       LEU  48   8.369   0.845  -2.676
  378   2HB   LEU  48          HB1       LEU  48   7.248  -0.436  -3.061
  379    HG   LEU  48           HG       LEU  48   8.636  -1.350  -1.422
  380   1HD1  LEU  48          HD11      LEU  48   8.348  -2.797  -3.415
  381   2HD1  LEU  48          HD12      LEU  48   9.852  -3.116  -2.544
  382   3HD1  LEU  48          HD13      LEU  48   9.885  -2.199  -4.050
  383   1HD2  LEU  48          HD21      LEU  48  10.270   0.408  -1.403
  384   2HD2  LEU  48          HD22      LEU  48  10.953  -0.146  -2.943
  385   3HD2  LEU  48          HD23      LEU  48  11.080  -1.162  -1.505
  386    H    ARG  49           HN       ARG  49   8.410   1.531  -6.790
  387    HA   ARG  49           HA       ARG  49   5.898   2.712  -6.180
  388   1HB   ARG  49          HB2       ARG  49   7.437   3.861  -7.666
  389   2HB   ARG  49          HB1       ARG  49   7.321   2.553  -8.838
  390   1HG   ARG  49          HG2       ARG  49   5.238   3.166  -9.538
  391   2HG   ARG  49          HG1       ARG  49   4.815   3.901  -7.993
  392   1HD   ARG  49          HD2       ARG  49   5.033   5.656  -9.567
  393   2HD   ARG  49          HD1       ARG  49   6.443   5.723  -8.515
  394    HE   ARG  49           HE       ARG  49   7.512   4.383 -10.476
  395   1HH1  ARG  49          HH11      ARG  49   5.127   6.924 -10.740
  396   2HH1  ARG  49          HH12      ARG  49   5.714   7.515 -12.263
  397   1HH2  ARG  49          HH21      ARG  49   8.337   5.186 -12.466
  398   2HH2  ARG  49          HH22      ARG  49   7.544   6.524 -13.242
  399    H    SER  50           HN       SER  50   6.798   0.228  -8.538
  400    HA   SER  50           HA       SER  50   4.260  -0.555  -9.353
  401   1HB   SER  50          HB2       SER  50   6.417  -1.400 -10.308
  402   2HB   SER  50          HB1       SER  50   6.608  -2.413  -8.878
  403    HG   SER  50           HG       SER  50   4.994  -3.688  -9.518
  404    H    TRP  51           HN       TRP  51   6.066  -1.400  -6.501
  405    HA   TRP  51           HA       TRP  51   4.250  -3.318  -5.416
  406   1HB   TRP  51          HB2       TRP  51   6.436  -3.588  -4.733
  407   2HB   TRP  51          HB1       TRP  51   6.727  -1.852  -4.600
  408    HD1  TRP  51           HD1      TRP  51   5.686  -0.784  -2.083
  409    HE1  TRP  51           HE1      TRP  51   5.805  -1.998   0.166
  410    HE3  TRP  51           HE3      TRP  51   6.336  -5.514  -3.791
  411    HZ2  TRP  51           HZ2      TRP  51   6.193  -4.611   1.085
  412    HZ3  TRP  51           HZ3      TRP  51   6.605  -7.304  -2.202
  413    HH2  TRP  51           HH2      TRP  51   6.535  -6.892   0.223
  414    H    PHE  52           HN       PHE  52   4.788   0.159  -4.810
  415    HA   PHE  52           HA       PHE  52   2.781   0.578  -2.949
  416   1HB   PHE  52          HB2       PHE  52   4.440   2.281  -3.906
  417   2HB   PHE  52          HB1       PHE  52   3.302   2.483  -5.235
  418    HD1  PHE  52           HD1      PHE  52   3.918   3.092  -1.682
  419    HD2  PHE  52           HD2      PHE  52   1.166   3.561  -4.895
  420    HE1  PHE  52           HE1      PHE  52   2.657   4.737  -0.359
  421    HE2  PHE  52           HE2      PHE  52  -0.098   5.211  -3.579
  422    HZ   PHE  52           HZ       PHE  52   0.645   5.772  -1.275
  423    H    ARG  53           HN       ARG  53   2.493   0.778  -6.504
  424    HA   ARG  53           HA       ARG  53  -0.258   1.025  -6.762
  425   1HB   ARG  53          HB2       ARG  53   1.319  -0.898  -8.442
  426   2HB   ARG  53          HB1       ARG  53  -0.100   0.035  -8.902
  427   1HG   ARG  53          HG2       ARG  53   1.092   2.060  -9.011
  428   2HG   ARG  53          HG1       ARG  53   2.500   1.362  -8.208
  429   1HD   ARG  53          HD2       ARG  53   2.943   1.566 -10.555
  430   2HD   ARG  53          HD1       ARG  53   2.806  -0.135 -10.130
  431    HE   ARG  53           HE       ARG  53   0.336   0.980 -11.077
  432   1HH1  ARG  53          HH11      ARG  53   3.396  -0.397 -12.081
  433   2HH1  ARG  53          HH12      ARG  53   2.808  -0.921 -13.630
  434   1HH2  ARG  53          HH21      ARG  53  -0.448   0.297 -13.094
  435   2HH2  ARG  53          HH22      ARG  53   0.596  -0.553 -14.196
  436    H    GLU  54           HN       GLU  54   1.703  -1.871  -6.630
  437    HA   GLU  54           HA       GLU  54  -0.341  -3.709  -6.837
  438   1HB   GLU  54          HB2       GLU  54   1.698  -4.641  -7.299
  439   2HB   GLU  54          HB1       GLU  54   2.506  -3.774  -6.001
  440   1HG   GLU  54          HG2       GLU  54   1.690  -5.272  -4.381
  441   2HG   GLU  54          HG1       GLU  54   0.602  -6.042  -5.538
  442    H    ARG  55           HN       ARG  55   1.075  -2.183  -4.020
  443    HA   ARG  55           HA       ARG  55  -0.225  -3.730  -2.048
  444   1HB   ARG  55          HB2       ARG  55   1.450  -1.415  -2.141
  445   2HB   ARG  55          HB1       ARG  55   0.055  -1.054  -1.133
  446   1HG   ARG  55          HG2       ARG  55   1.455  -1.907   0.430
  447   2HG   ARG  55          HG1       ARG  55   0.642  -3.387  -0.074
  448   1HD   ARG  55          HD2       ARG  55   3.243  -2.434  -1.243
  449   2HD   ARG  55          HD1       ARG  55   3.142  -3.525   0.133
  450    HE   ARG  55           HE       ARG  55   2.511  -4.142  -2.646
  451   1HH1  ARG  55          HH11      ARG  55   2.460  -5.139   0.703
  452   2HH1  ARG  55          HH12      ARG  55   2.542  -6.843   0.341
  453   1HH2  ARG  55          HH21      ARG  55   2.678  -6.395  -3.149
  454   2HH2  ARG  55          HH22      ARG  55   2.657  -7.548  -1.852
  455    H    LEU  56           HN       LEU  56  -0.992  -0.622  -3.564
  456    HA   LEU  56           HA       LEU  56  -3.502  -0.200  -2.436
  457   1HB   LEU  56          HB2       LEU  56  -2.605   0.437  -5.254
  458   2HB   LEU  56          HB1       LEU  56  -3.997   1.131  -4.448
  459    HG   LEU  56           HG       LEU  56  -1.118   1.526  -3.605
  460   1HD1  LEU  56          HD11      LEU  56  -1.594   2.656  -5.693
  461   2HD1  LEU  56          HD12      LEU  56  -1.481   3.835  -4.384
  462   3HD1  LEU  56          HD13      LEU  56  -3.059   3.359  -5.007
  463   1HD2  LEU  56          HD21      LEU  56  -2.672   1.603  -1.721
  464   2HD2  LEU  56          HD22      LEU  56  -3.668   2.775  -2.584
  465   3HD2  LEU  56          HD23      LEU  56  -2.032   3.204  -2.085
  466    H    ILE  57           HN       ILE  57  -2.524  -2.124  -5.235
  467    HA   ILE  57           HA       ILE  57  -4.930  -2.873  -6.274
  468    HB   ILE  57           HB       ILE  57  -2.319  -4.323  -6.036
  469   1HG1  ILE  57          HG12      ILE  57  -2.318  -2.284  -7.371
  470   2HG1  ILE  57          HG11      ILE  57  -2.093  -3.693  -8.393
  471   1HG2  ILE  57          HG21      ILE  57  -4.695  -5.150  -7.671
  472   2HG2  ILE  57          HG22      ILE  57  -4.028  -6.006  -6.281
  473   3HG2  ILE  57          HG23      ILE  57  -3.080  -5.851  -7.760
  474   1HD1  ILE  57          HD11      ILE  57  -4.445  -3.581  -9.058
  475   2HD1  ILE  57          HD12      ILE  57  -3.586  -2.088  -9.435
  476   3HD1  ILE  57          HD13      ILE  57  -4.659  -2.160  -8.036
  477    H    ALA  58           HN       ALA  58  -3.049  -4.676  -3.838
  478    HA   ALA  58           HA       ALA  58  -5.107  -6.632  -3.493
  479   1HB   ALA  58          HB1       ALA  58  -3.653  -7.576  -1.782
  480   2HB   ALA  58          HB2       ALA  58  -2.637  -6.137  -1.843
  481   3HB   ALA  58          HB3       ALA  58  -2.746  -7.196  -3.248
  482    H    HIS  59           HN       HIS  59  -4.093  -3.783  -1.671
  483    HA   HIS  59           HA       HIS  59  -5.696  -4.450   0.608
  484   1HB   HIS  59          HB2       HIS  59  -4.205  -1.939  -0.159
  485   2HB   HIS  59          HB1       HIS  59  -5.183  -2.050   1.299
  486    HD1  HIS  59           HD1      HIS  59  -4.299  -3.603   3.209
  487    HD2  HIS  59           HD2      HIS  59  -1.719  -3.229  -0.031
  488    HE1  HIS  59           HE1      HIS  59  -2.080  -4.469   4.005
  489    HE2  HIS  59           HE2      HIS  59  -0.537  -4.250   2.032
  490    H    ARG  60           HN       ARG  60  -6.126  -2.472  -2.284
  491    HA   ARG  60           HA       ARG  60  -8.614  -1.357  -1.525
  492   1HB   ARG  60          HB2       ARG  60  -7.315  -1.878  -4.184
  493   2HB   ARG  60          HB1       ARG  60  -8.980  -1.319  -4.097
  494   1HG   ARG  60          HG2       ARG  60  -8.317   0.698  -2.995
  495   2HG   ARG  60          HG1       ARG  60  -6.659   0.118  -2.822
  496   1HD   ARG  60          HD2       ARG  60  -7.029   1.770  -4.680
  497   2HD   ARG  60          HD1       ARG  60  -6.278   0.250  -5.162
  498    HE   ARG  60           HE       ARG  60  -8.385  -0.426  -6.108
  499   1HH1  ARG  60          HH11      ARG  60  -8.164   2.950  -5.166
  500   2HH1  ARG  60          HH12      ARG  60  -9.426   3.462  -6.246
  501   1HH2  ARG  60          HH21      ARG  60 -10.068   0.238  -7.492
  502   2HH2  ARG  60          HH22      ARG  60 -10.543   1.909  -7.535
  503    H    LEU  61           HN       LEU  61  -7.734  -4.320  -3.297
  504    HA   LEU  61           HA       LEU  61 -10.309  -5.383  -3.550
  505   1HB   LEU  61          HB2       LEU  61  -7.702  -6.827  -3.073
  506   2HB   LEU  61          HB1       LEU  61  -9.195  -7.604  -3.562
  507    HG   LEU  61           HG       LEU  61  -7.650  -5.579  -5.179
  508   1HD1  LEU  61          HD11      LEU  61  -7.182  -7.458  -6.658
  509   2HD1  LEU  61          HD12      LEU  61  -8.035  -8.544  -5.561
  510   3HD1  LEU  61          HD13      LEU  61  -6.548  -7.751  -5.038
  511   1HD2  LEU  61          HD21      LEU  61 -10.060  -5.413  -5.566
  512   2HD2  LEU  61          HD22      LEU  61 -10.135  -7.149  -5.868
  513   3HD2  LEU  61          HD23      LEU  61  -9.235  -6.101  -6.967
  514    H    ALA  62           HN       ALA  62  -8.116  -5.265  -0.821
  515    HA   ALA  62           HA       ALA  62  -9.719  -7.001   0.813
  516   1HB   ALA  62          HB1       ALA  62  -7.522  -5.097   1.616
  517   2HB   ALA  62          HB2       ALA  62  -7.305  -6.782   1.145
  518   3HB   ALA  62          HB3       ALA  62  -8.204  -6.386   2.611
  519    H    SER  63           HN       SER  63  -9.794  -3.607   0.052
  520    HA   SER  63           HA       SER  63 -11.157  -2.917   2.486
  521   1HB   SER  63          HB2       SER  63 -10.548  -1.325  -0.017
  522   2HB   SER  63          HB1       SER  63 -11.210  -0.670   1.469
  523    HG   SER  63           HG       SER  63  -8.751  -2.056   1.330
  524    H    VAL  64           HN       VAL  64 -12.111  -3.117  -0.984
  525    HA   VAL  64           HA       VAL  64 -14.773  -2.304  -0.155
  526    HB   VAL  64           HB       VAL  64 -15.101  -2.167  -2.707
  527   1HG1  VAL  64          HG11      VAL  64 -15.135  -0.271  -1.166
  528   2HG1  VAL  64          HG12      VAL  64 -14.315   0.150  -2.672
  529   3HG1  VAL  64          HG13      VAL  64 -13.371  -0.199  -1.224
  530   1HG2  VAL  64          HG21      VAL  64 -13.041  -3.254  -3.374
  531   2HG2  VAL  64          HG22      VAL  64 -12.104  -2.019  -2.533
  532   3HG2  VAL  64          HG23      VAL  64 -13.070  -1.585  -3.943
  533    H    ASN  65           HN       ASN  65 -13.250  -5.222  -0.619
  534    HA   ASN  65           HA       ASN  65 -15.599  -6.394  -1.934
  535   1HB   ASN  65          HB2       ASN  65 -13.491  -6.835  -3.160
  536   2HB   ASN  65          HB1       ASN  65 -12.774  -7.491  -1.692
  537   1HD2  ASN  65          HD21      ASN  65 -12.391  -9.493  -2.549
  538   2HD2  ASN  65          HD22      ASN  65 -13.649 -10.615  -2.950
  539    H    LEU  66           HN       LEU  66 -13.979  -5.775   0.867
  540    HA   LEU  66           HA       LEU  66 -14.868  -8.199   2.243
  541   1HB   LEU  66          HB2       LEU  66 -12.539  -6.536   2.461
  542   2HB   LEU  66          HB1       LEU  66 -13.424  -6.497   3.979
  543    HG   LEU  66           HG       LEU  66 -11.798  -8.249   4.118
  544   1HD1  LEU  66          HD11      LEU  66 -13.196 -10.101   4.689
  545   2HD1  LEU  66          HD12      LEU  66 -14.469  -9.541   3.607
  546   3HD1  LEU  66          HD13      LEU  66 -14.087  -8.620   5.062
  547   1HD2  LEU  66          HD21      LEU  66 -11.729 -10.112   2.556
  548   2HD2  LEU  66          HD22      LEU  66 -11.469  -8.589   1.707
  549   3HD2  LEU  66          HD23      LEU  66 -13.036  -9.392   1.614
  550    H    SER  67           HN       SER  67 -14.515  -6.471   4.738
  551    HA   SER  67           HA       SER  67 -16.867  -4.853   4.768
  552   1HB   SER  67          HB2       SER  67 -16.877  -7.578   6.070
  553   2HB   SER  67          HB1       SER  67 -18.084  -6.325   6.378
  554    HG   SER  67           HG       SER  67 -17.922  -6.575   3.764
  555    H    ARG  68           HN       ARG  68 -17.013  -6.042   7.707
  556    HA   ARG  68           HA       ARG  68 -16.212  -5.558   9.772
  557   1HB   ARG  68          HB2       ARG  68 -13.781  -4.411   8.381
  558   2HB   ARG  68          HB1       ARG  68 -13.942  -4.684  10.111
  559   1HG   ARG  68          HG2       ARG  68 -13.795  -6.989   9.888
  560   2HG   ARG  68          HG1       ARG  68 -14.242  -6.948   8.179
  561   1HD   ARG  68          HD2       ARG  68 -11.654  -5.939   9.365
  562   2HD   ARG  68          HD1       ARG  68 -11.863  -7.438   8.457
  563    HE   ARG  68           HE       ARG  68 -12.738  -5.151   6.978
  564   1HH1  ARG  68          HH11      ARG  68  -9.904  -6.984   7.901
  565   2HH1  ARG  68          HH12      ARG  68  -8.953  -6.455   6.545
  566   1HH2  ARG  68          HH21      ARG  68 -11.495  -4.454   5.174
  567   2HH2  ARG  68          HH22      ARG  68  -9.873  -5.044   4.982
  568    H    LEU  69           HN       LEU  69 -14.457  -2.835   8.574
  569    HA   LEU  69           HA       LEU  69 -16.737  -1.063   9.076
  570   1HB   LEU  69          HB2       LEU  69 -13.923  -0.675  10.118
  571   2HB   LEU  69          HB1       LEU  69 -15.154   0.568  10.130
  572    HG   LEU  69           HG       LEU  69 -16.507  -1.168  11.546
  573   1HD1  LEU  69          HD11      LEU  69 -13.676  -2.083  12.040
  574   2HD1  LEU  69          HD12      LEU  69 -14.945  -3.024  11.254
  575   3HD1  LEU  69          HD13      LEU  69 -15.103  -2.576  12.954
  576   1HD2  LEU  69          HD21      LEU  69 -15.758   1.005  12.340
  577   2HD2  LEU  69          HD22      LEU  69 -14.152   0.349  12.658
  578   3HD2  LEU  69          HD23      LEU  69 -15.540  -0.225  13.583
  579    HA   PRO  70           HA       PRO  70 -14.879   0.412   5.261
  580   1HB   PRO  70          HB2       PRO  70 -17.279   0.826   4.017
  581   2HB   PRO  70          HB1       PRO  70 -16.466  -0.734   4.073
  582   1HG   PRO  70          HG2       PRO  70 -18.934   0.010   5.299
  583   2HG   PRO  70          HG1       PRO  70 -18.106  -1.557   5.381
  584   1HD   PRO  70          HD2       PRO  70 -18.050   0.729   7.273
  585   2HD   PRO  70          HD1       PRO  70 -17.877  -1.013   7.615
  586    H    TYR  71           HN       TYR  71 -15.228   2.376   4.041
  587    HA   TYR  71           HA       TYR  71 -15.537   4.537   3.696
  588   1HB   TYR  71          HB2       TYR  71 -17.574   4.068   5.774
  589   2HB   TYR  71          HB1       TYR  71 -17.248   5.706   5.189
  590    HD1  TYR  71           HD1      TYR  71 -18.946   6.286   3.819
  591    HD2  TYR  71           HD2      TYR  71 -17.214   2.426   3.421
  592    HE1  TYR  71           HE1      TYR  71 -20.397   5.830   1.906
  593    HE2  TYR  71           HE2      TYR  71 -18.645   1.967   1.479
  594    HH   TYR  71           HH       TYR  71 -20.904   2.776   0.649
  595    H    GLU  72           HN       GLU  72 -15.353   3.888   7.193
  596    HA   GLU  72           HA       GLU  72 -13.083   5.607   7.386
  597   1HB   GLU  72          HB2       GLU  72 -15.554   5.900   9.078
  598   2HB   GLU  72          HB1       GLU  72 -13.987   6.501   9.594
  599   1HG   GLU  72          HG2       GLU  72 -13.932   7.916   7.554
  600   2HG   GLU  72          HG1       GLU  72 -15.581   7.390   7.208
  601    HA   PRO  73           HA       PRO  73 -12.821   1.506   9.385
  602   1HB   PRO  73          HB2       PRO  73 -10.315   0.874   8.568
  603   2HB   PRO  73          HB1       PRO  73 -11.731   0.665   7.531
  604   1HG   PRO  73          HG2       PRO  73  -9.725   2.889   7.571
  605   2HG   PRO  73          HG1       PRO  73 -10.427   2.041   6.180
  606   1HD   PRO  73          HD2       PRO  73 -11.302   4.473   7.023
  607   2HD   PRO  73          HD1       PRO  73 -12.365   3.284   6.241
  608    H    LYS  74           HN       LYS  74 -10.112   3.794   9.208
  609    HA   LYS  74           HA       LYS  74  -8.667   4.638  10.718
  610   1HB   LYS  74          HB2       LYS  74 -11.080   5.032  11.775
  611   2HB   LYS  74          HB1       LYS  74 -10.446   3.948  13.005
  612   1HG   LYS  74          HG2       LYS  74 -10.150   6.370  13.499
  613   2HG   LYS  74          HG1       LYS  74  -8.650   5.437  13.497
  614   1HD   LYS  74          HD2       LYS  74  -8.007   6.291  11.395
  615   2HD   LYS  74          HD1       LYS  74  -9.621   6.919  11.068
  616   1HE   LYS  74          HE2       LYS  74  -7.845   7.923  13.283
  617   2HE   LYS  74          HE1       LYS  74  -7.920   8.649  11.677
  618   1HZ   LYS  74          HZ1       LYS  74  -9.370   9.861  13.090
  619   2HZ   LYS  74          HZ2       LYS  74 -10.120   8.450  13.660
  620   3HZ   LYS  74          HZ3       LYS  74 -10.345   8.940  12.052
  621    H    LEU  75           HN       LEU  75  -8.596   1.803  10.062
  622    HA   LEU  75           HA       LEU  75  -7.980   0.197  12.186
  623   1HB   LEU  75          HB2       LEU  75  -6.849   0.106   9.402
  624   2HB   LEU  75          HB1       LEU  75  -6.766  -1.202  10.566
  625    HG   LEU  75           HG       LEU  75  -9.294  -0.091   9.341
  626   1HD1  LEU  75          HD11      LEU  75  -7.947  -1.374   7.761
  627   2HD1  LEU  75          HD12      LEU  75  -9.420  -2.241   8.198
  628   3HD1  LEU  75          HD13      LEU  75  -7.875  -2.716   8.906
  629   1HD2  LEU  75          HD21      LEU  75 -10.411  -1.958  10.454
  630   2HD2  LEU  75          HD22      LEU  75  -9.656  -0.875  11.625
  631   3HD2  LEU  75          HD23      LEU  75  -8.893  -2.414  11.224
  632    H    LYS  76           HN       LYS  76  -6.063  -0.387  13.173
  633    HA   LYS  76           HA       LYS  76  -4.259   0.218  14.409
  634   1HB   LYS  76          HB2       LYS  76  -2.151   0.225  13.068
  635   2HB   LYS  76          HB1       LYS  76  -3.210  -1.143  12.780
  636   1HG   LYS  76          HG2       LYS  76  -4.002  -0.025  10.709
  637   2HG   LYS  76          HG1       LYS  76  -2.815   1.250  10.994
  638   1HD   LYS  76          HD2       LYS  76  -1.893  -0.332   9.427
  639   2HD   LYS  76          HD1       LYS  76  -1.029  -0.476  10.960
  640   1HE   LYS  76          HE2       LYS  76  -2.462  -2.405  11.545
  641   2HE   LYS  76          HE1       LYS  76  -3.226  -2.291   9.959
  642   1HZ   LYS  76          HZ1       LYS  76  -1.520  -3.969   9.932
  643   2HZ   LYS  76          HZ2       LYS  76  -0.362  -2.868  10.502
  644   3HZ   LYS  76          HZ3       LYS  76  -1.025  -2.671   8.953
  Start of MODEL    8
    1   1H    MET   1           HT1      MET   1  24.448   2.553  22.550
    2   2H    MET   1           HT2      MET   1  23.417   1.288  23.008
    3   3H    MET   1           HT3      MET   1  22.870   2.487  21.939
    4    HA   MET   1           HA       MET   1  25.070   0.594  21.367
    5   1HB   MET   1          HB2       MET   1  22.149   0.570  20.642
    6   2HB   MET   1          HB1       MET   1  23.343  -0.258  19.653
    7   1HG   MET   1          HG2       MET   1  22.893  -0.773  22.580
    8   2HG   MET   1          HG1       MET   1  22.199  -1.725  21.268
    9   1HE   MET   1          HE1       MET   1  25.400  -3.248  19.591
   10   2HE   MET   1          HE2       MET   1  24.539  -1.774  19.148
   11   3HE   MET   1          HE3       MET   1  23.638  -3.222  19.592
   12    H    LEU   2           HN       LEU   2  25.440   0.510  18.973
   13    HA   LEU   2           HA       LEU   2  24.895   3.083  17.657
   14   1HB   LEU   2          HB2       LEU   2  27.415   1.424  17.517
   15   2HB   LEU   2          HB1       LEU   2  27.078   2.787  16.469
   16    HG   LEU   2           HG       LEU   2  27.378   2.928  19.469
   17   1HD1  LEU   2          HD11      LEU   2  29.483   2.434  18.346
   18   2HD1  LEU   2          HD12      LEU   2  29.477   4.073  18.995
   19   3HD1  LEU   2          HD13      LEU   2  29.238   3.807  17.268
   20   1HD2  LEU   2          HD21      LEU   2  27.378   5.358  19.122
   21   2HD2  LEU   2          HD22      LEU   2  25.853   4.623  18.630
   22   3HD2  LEU   2          HD23      LEU   2  27.032   5.106  17.411
   23    H    LYS   3           HN       LYS   3  24.911   2.896  15.252
   24    HA   LYS   3           HA       LYS   3  23.267   0.638  14.549
   25   1HB   LYS   3          HB2       LYS   3  24.307   2.828  12.743
   26   2HB   LYS   3          HB1       LYS   3  22.955   1.751  12.419
   27   1HG   LYS   3          HG2       LYS   3  23.088   3.890  14.531
   28   2HG   LYS   3          HG1       LYS   3  22.143   3.926  13.044
   29   1HD   LYS   3          HD2       LYS   3  20.799   2.052  13.833
   30   2HD   LYS   3          HD1       LYS   3  21.776   1.952  15.299
   31   1HE   LYS   3          HE2       LYS   3  21.081   4.233  15.896
   32   2HE   LYS   3          HE1       LYS   3  20.075   4.293  14.451
   33   1HZ   LYS   3          HZ1       LYS   3  18.739   3.754  16.348
   34   2HZ   LYS   3          HZ2       LYS   3  19.740   2.448  16.757
   35   3HZ   LYS   3          HZ3       LYS   3  18.816   2.393  15.337
   36    H    ASN   4           HN       ASN   4  23.938  -1.213  13.720
   37    HA   ASN   4           HA       ASN   4  26.683  -1.441  12.755
   38   1HB   ASN   4          HB2       ASN   4  24.608  -3.627  13.028
   39   2HB   ASN   4          HB1       ASN   4  26.339  -3.835  12.802
   40   1HD2  ASN   4          HD21      ASN   4  23.801  -3.193  15.026
   41   2HD2  ASN   4          HD22      ASN   4  24.760  -3.240  16.463
   42    H    LEU   5           HN       LEU   5  23.437  -2.410  11.661
   43    HA   LEU   5           HA       LEU   5  24.374  -2.198   8.888
   44   1HB   LEU   5          HB2       LEU   5  23.214  -4.294   9.749
   45   2HB   LEU   5          HB1       LEU   5  21.752  -3.337   9.862
   46    HG   LEU   5           HG       LEU   5  23.231  -3.634   7.253
   47   1HD1  LEU   5          HD11      LEU   5  21.072  -5.430   8.351
   48   2HD1  LEU   5          HD12      LEU   5  22.754  -5.878   8.067
   49   3HD1  LEU   5          HD13      LEU   5  21.709  -5.467   6.708
   50   1HD2  LEU   5          HD21      LEU   5  21.049  -3.143   6.293
   51   2HD2  LEU   5          HD22      LEU   5  21.533  -1.865   7.408
   52   3HD2  LEU   5          HD23      LEU   5  20.339  -3.064   7.906
   53    H    ALA   6           HN       ALA   6  24.255  -0.088   8.362
   54    HA   ALA   6           HA       ALA   6  21.658   1.250   8.751
   55   1HB   ALA   6          HB1       ALA   6  23.450   2.377   9.962
   56   2HB   ALA   6          HB2       ALA   6  22.871   3.381   8.633
   57   3HB   ALA   6          HB3       ALA   6  24.391   2.503   8.475
   58    H    LYS   7           HN       LYS   7  20.523   1.503   6.963
   59    HA   LYS   7           HA       LYS   7  19.913   1.674   4.776
   60   1HB   LYS   7          HB2       LYS   7  22.746   2.647   4.336
   61   2HB   LYS   7          HB1       LYS   7  21.399   2.853   3.229
   62   1HG   LYS   7          HG2       LYS   7  21.548   4.040   5.995
   63   2HG   LYS   7          HG1       LYS   7  21.935   4.897   4.500
   64   1HD   LYS   7          HD2       LYS   7  19.657   4.585   3.712
   65   2HD   LYS   7          HD1       LYS   7  19.263   3.661   5.163
   66   1HE   LYS   7          HE2       LYS   7  19.653   5.610   6.547
   67   2HE   LYS   7          HE1       LYS   7  20.165   6.538   5.138
   68   1HZ   LYS   7          HZ1       LYS   7  17.955   6.343   4.223
   69   2HZ   LYS   7          HZ2       LYS   7  17.873   7.023   5.774
   70   3HZ   LYS   7          HZ3       LYS   7  17.449   5.398   5.538
   71    H    LEU   8           HN       LEU   8  21.333   1.170   2.409
   72    HA   LEU   8           HA       LEU   8  22.158  -0.438   1.056
   73   1HB   LEU   8          HB2       LEU   8  23.414  -1.342   3.629
   74   2HB   LEU   8          HB1       LEU   8  23.593  -2.276   2.160
   75    HG   LEU   8           HG       LEU   8  25.549  -0.925   2.457
   76   1HD1  LEU   8          HD11      LEU   8  23.820   0.253   0.295
   77   2HD1  LEU   8          HD12      LEU   8  24.759  -1.235   0.175
   78   3HD1  LEU   8          HD13      LEU   8  25.580   0.314   0.371
   79   1HD2  LEU   8          HD21      LEU   8  25.483   1.512   2.537
   80   2HD2  LEU   8          HD22      LEU   8  24.618   0.805   3.902
   81   3HD2  LEU   8          HD23      LEU   8  23.718   1.469   2.539
   82    H    ASP   9           HN       ASP   9  21.694  -2.538   3.870
   83    HA   ASP   9           HA       ASP   9  19.805  -4.113   2.268
   84   1HB   ASP   9          HB2       ASP   9  21.538  -4.886   4.600
   85   2HB   ASP   9          HB1       ASP   9  20.255  -5.911   3.970
   86    H    GLN  10           HN       GLN  10  18.989  -1.733   3.536
   87    HA   GLN  10           HA       GLN  10  17.193  -2.895   5.521
   88   1HB   GLN  10          HB2       GLN  10  18.580  -0.973   6.312
   89   2HB   GLN  10          HB1       GLN  10  17.814   0.038   5.096
   90   1HG   GLN  10          HG2       GLN  10  15.709  -0.118   6.165
   91   2HG   GLN  10          HG1       GLN  10  16.277  -1.391   7.242
   92   1HE2  GLN  10          HE21      GLN  10  18.812  -0.128   7.784
   93   2HE2  GLN  10          HE22      GLN  10  18.478   1.205   8.837
   94    H    THR  11           HN       THR  11  17.199  -2.969   2.597
   95    HA   THR  11           HA       THR  11  15.017  -1.330   1.663
   96    HB   THR  11           HB       THR  11  16.362  -3.675   0.297
   97    HG1  THR  11           HG1      THR  11  17.363  -1.228   0.956
   98   1HG2  THR  11          HG21      THR  11  15.719  -2.532  -1.774
   99   2HG2  THR  11          HG22      THR  11  14.932  -1.267  -0.832
  100   3HG2  THR  11          HG23      THR  11  14.305  -2.916  -0.792
  101    H    GLU  12           HN       GLU  12  14.925  -3.581   3.794
  102    HA   GLU  12           HA       GLU  12  13.012  -5.397   2.598
  103   1HB   GLU  12          HB2       GLU  12  13.125  -6.630   4.706
  104   2HB   GLU  12          HB1       GLU  12  14.739  -6.384   4.060
  105   1HG   GLU  12          HG2       GLU  12  15.188  -4.650   5.629
  106   2HG   GLU  12          HG1       GLU  12  13.516  -4.647   6.186
  107    H    MET  13           HN       MET  13  13.559  -2.887   4.763
  108    HA   MET  13           HA       MET  13  10.843  -2.552   5.674
  109   1HB   MET  13          HB2       MET  13  13.300  -0.806   6.009
  110   2HB   MET  13          HB1       MET  13  11.741  -0.497   6.754
  111   1HG   MET  13          HG2       MET  13  13.491  -2.889   7.269
  112   2HG   MET  13          HG1       MET  13  13.326  -1.482   8.316
  113   1HE   MET  13          HE1       MET  13  11.500  -4.192  10.420
  114   2HE   MET  13          HE2       MET  13  12.732  -2.931  10.405
  115   3HE   MET  13          HE3       MET  13  12.955  -4.393   9.443
  116    H    ASP  14           HN       ASP  14  13.102  -1.329   3.288
  117    HA   ASP  14           HA       ASP  14  11.751   0.788   2.310
  118   1HB   ASP  14          HB2       ASP  14  13.932  -0.328   1.481
  119   2HB   ASP  14          HB1       ASP  14  12.873  -1.203   0.383
  120    H    LYS  15           HN       LYS  15  11.291  -2.551   1.025
  121    HA   LYS  15           HA       LYS  15   8.857  -2.343  -0.206
  122   1HB   LYS  15          HB2       LYS  15   9.844  -4.556   1.614
  123   2HB   LYS  15          HB1       LYS  15   8.552  -4.710   0.435
  124   1HG   LYS  15          HG2       LYS  15  10.031  -4.571  -1.375
  125   2HG   LYS  15          HG1       LYS  15  11.333  -3.925  -0.370
  126   1HD   LYS  15          HD2       LYS  15  11.548  -6.038   0.781
  127   2HD   LYS  15          HD1       LYS  15  10.162  -6.692  -0.091
  128   1HE   LYS  15          HE2       LYS  15  12.638  -5.719  -1.495
  129   2HE   LYS  15          HE1       LYS  15  12.479  -7.371  -0.904
  130   1HZ   LYS  15          HZ1       LYS  15  10.799  -6.027  -2.950
  131   2HZ   LYS  15          HZ2       LYS  15  10.415  -7.527  -2.259
  132   3HZ   LYS  15          HZ3       LYS  15  11.837  -7.353  -3.165
  133    H    VAL  16           HN       VAL  16   9.414  -3.083   3.244
  134    HA   VAL  16           HA       VAL  16   6.791  -3.310   4.080
  135    HB   VAL  16           HB       VAL  16   9.283  -2.407   5.498
  136   1HG1  VAL  16          HG11      VAL  16   7.423  -1.265   6.608
  137   2HG1  VAL  16          HG12      VAL  16   8.120  -2.525   7.623
  138   3HG1  VAL  16          HG13      VAL  16   6.590  -2.809   6.793
  139   1HG2  VAL  16          HG21      VAL  16   9.018  -4.572   6.630
  140   2HG2  VAL  16          HG22      VAL  16   9.125  -4.747   4.878
  141   3HG2  VAL  16          HG23      VAL  16   7.562  -4.875   5.685
  142    H    ASN  17           HN       ASN  17   8.684  -0.369   3.659
  143    HA   ASN  17           HA       ASN  17   6.791   1.368   4.874
  144   1HB   ASN  17          HB2       ASN  17   9.154   1.836   3.066
  145   2HB   ASN  17          HB1       ASN  17   8.106   3.154   3.577
  146   1HD2  ASN  17          HD21      ASN  17  10.936   2.632   4.115
  147   2HD2  ASN  17          HD22      ASN  17  11.095   2.612   5.835
  148    H    VAL  18           HN       VAL  18   7.601   0.644   1.455
  149    HA   VAL  18           HA       VAL  18   5.597   2.312   0.460
  150    HB   VAL  18           HB       VAL  18   6.939   0.051  -0.943
  151   1HG1  VAL  18          HG11      VAL  18   5.470   2.474  -1.987
  152   2HG1  VAL  18          HG12      VAL  18   4.885   0.810  -2.045
  153   3HG1  VAL  18          HG13      VAL  18   6.316   1.276  -2.967
  154   1HG2  VAL  18          HG21      VAL  18   7.607   2.992  -0.771
  155   2HG2  VAL  18          HG22      VAL  18   8.456   1.796  -1.753
  156   3HG2  VAL  18          HG23      VAL  18   8.499   1.685   0.007
  157    H    ASP  19           HN       ASP  19   5.610  -0.948   1.563
  158    HA   ASP  19           HA       ASP  19   3.119  -1.792   0.477
  159   1HB   ASP  19          HB2       ASP  19   4.910  -3.297   1.460
  160   2HB   ASP  19          HB1       ASP  19   4.405  -2.744   3.051
  161    H    LEU  20           HN       LEU  20   4.068  -0.651   3.700
  162    HA   LEU  20           HA       LEU  20   1.489  -0.535   4.793
  163   1HB   LEU  20          HB2       LEU  20   3.576  -0.517   6.109
  164   2HB   LEU  20          HB1       LEU  20   3.925   1.095   5.520
  165    HG   LEU  20           HG       LEU  20   1.917   1.950   6.664
  166   1HD1  LEU  20          HD11      LEU  20   0.703   0.542   8.231
  167   2HD1  LEU  20          HD12      LEU  20   1.678  -0.852   7.760
  168   3HD1  LEU  20          HD13      LEU  20   0.586  -0.104   6.594
  169   1HD2  LEU  20          HD21      LEU  20   4.055   2.027   7.808
  170   2HD2  LEU  20          HD22      LEU  20   3.814   0.391   8.419
  171   3HD2  LEU  20          HD23      LEU  20   2.761   1.700   8.960
  172    H    ALA  21           HN       ALA  21   3.463   1.972   3.208
  173    HA   ALA  21           HA       ALA  21   1.747   4.117   3.406
  174   1HB   ALA  21          HB1       ALA  21   3.464   3.399   1.034
  175   2HB   ALA  21          HB2       ALA  21   4.011   4.244   2.480
  176   3HB   ALA  21          HB3       ALA  21   2.826   4.998   1.416
  177    H    ALA  22           HN       ALA  22   1.820   1.660   0.816
  178    HA   ALA  22           HA       ALA  22  -0.391   2.721  -0.595
  179   1HB   ALA  22          HB1       ALA  22  -0.377   0.641  -1.834
  180   2HB   ALA  22          HB2       ALA  22   0.651  -0.105  -0.611
  181   3HB   ALA  22          HB3       ALA  22   1.274   1.218  -1.599
  182    H    ALA  23           HN       ALA  23  -0.128   0.583   2.129
  183    HA   ALA  23           HA       ALA  23  -2.761  -0.530   1.985
  184   1HB   ALA  23          HB1       ALA  23  -2.328  -1.321   4.223
  185   2HB   ALA  23          HB2       ALA  23  -0.965  -0.214   4.387
  186   3HB   ALA  23          HB3       ALA  23  -0.876  -1.565   3.251
  187    H    GLY  24           HN       GLY  24  -1.126   2.084   3.578
  188   1HA   GLY  24          HA2       GLY  24  -3.210   2.994   5.167
  189   2HA   GLY  24          HA1       GLY  24  -1.814   3.919   4.630
  190    H    VAL  25           HN       VAL  25  -2.066   4.089   1.986
  191    HA   VAL  25           HA       VAL  25  -3.887   6.106   1.522
  192    HB   VAL  25           HB       VAL  25  -2.809   4.169  -0.535
  193   1HG1  VAL  25          HG11      VAL  25  -3.964   6.936  -0.862
  194   2HG1  VAL  25          HG12      VAL  25  -4.693   5.425  -1.404
  195   3HG1  VAL  25          HG13      VAL  25  -3.194   5.993  -2.139
  196   1HG2  VAL  25          HG21      VAL  25  -1.029   5.251   0.749
  197   2HG2  VAL  25          HG22      VAL  25  -1.714   6.834   0.383
  198   3HG2  VAL  25          HG23      VAL  25  -1.060   5.834  -0.913
  199    H    ALA  26           HN       ALA  26  -4.215   2.672   0.607
  200    HA   ALA  26           HA       ALA  26  -6.742   2.867  -0.566
  201   1HB   ALA  26          HB1       ALA  26  -5.537   0.497   0.854
  202   2HB   ALA  26          HB2       ALA  26  -5.267   0.936  -0.832
  203   3HB   ALA  26          HB3       ALA  26  -6.875   0.451  -0.294
  204    H    PHE  27           HN       PHE  27  -5.926   1.872   2.773
  205    HA   PHE  27           HA       PHE  27  -8.638   1.550   3.536
  206   1HB   PHE  27          HB2       PHE  27  -6.036   1.589   4.988
  207   2HB   PHE  27          HB1       PHE  27  -7.529   1.729   5.919
  208    HD1  PHE  27           HD1      PHE  27  -8.610  -0.191   6.586
  209    HD2  PHE  27           HD2      PHE  27  -5.994  -0.346   3.233
  210    HE1  PHE  27           HE1      PHE  27  -8.889  -2.630   6.484
  211    HE2  PHE  27           HE2      PHE  27  -6.275  -2.786   3.122
  212    HZ   PHE  27           HZ       PHE  27  -7.816  -3.915   4.690
  213    H    LYS  28           HN       LYS  28  -6.597   4.235   3.313
  214    HA   LYS  28           HA       LYS  28  -7.906   5.907   5.243
  215   1HB   LYS  28          HB2       LYS  28  -5.948   6.435   3.077
  216   2HB   LYS  28          HB1       LYS  28  -6.913   7.783   3.665
  217   1HG   LYS  28          HG2       LYS  28  -6.149   7.261   5.968
  218   2HG   LYS  28          HG1       LYS  28  -5.083   6.028   5.292
  219   1HD   LYS  28          HD2       LYS  28  -3.882   7.701   4.031
  220   2HD   LYS  28          HD1       LYS  28  -5.011   8.951   4.552
  221   1HE   LYS  28          HE2       LYS  28  -3.184   7.374   6.357
  222   2HE   LYS  28          HE1       LYS  28  -2.898   9.022   5.803
  223   1HZ   LYS  28          HZ1       LYS  28  -3.821   9.007   8.018
  224   2HZ   LYS  28          HZ2       LYS  28  -5.165   8.118   7.499
  225   3HZ   LYS  28          HZ3       LYS  28  -4.930   9.705   6.941
  226    H    GLU  29           HN       GLU  29  -7.962   6.012   1.680
  227    HA   GLU  29           HA       GLU  29 -10.224   7.678   1.559
  228   1HB   GLU  29          HB2       GLU  29 -10.432   6.665  -0.822
  229   2HB   GLU  29          HB1       GLU  29  -9.022   7.634  -0.423
  230   1HG   GLU  29          HG2       GLU  29  -7.692   5.644  -0.105
  231   2HG   GLU  29          HG1       GLU  29  -9.106   4.625  -0.391
  232    H    ARG  30           HN       ARG  30  -9.977   4.165   1.088
  233    HA   ARG  30           HA       ARG  30 -12.657   3.767   0.405
  234   1HB   ARG  30          HB2       ARG  30 -10.695   1.804   1.597
  235   2HB   ARG  30          HB1       ARG  30 -12.230   1.371   0.857
  236   1HG   ARG  30          HG2       ARG  30  -9.896   2.682  -0.523
  237   2HG   ARG  30          HG1       ARG  30 -10.384   0.993  -0.668
  238   1HD   ARG  30          HD2       ARG  30 -11.811   1.515  -2.281
  239   2HD   ARG  30          HD1       ARG  30 -12.636   2.647  -1.209
  240    HE   ARG  30           HE       ARG  30 -10.191   3.607  -2.463
  241   1HH1  ARG  30          HH11      ARG  30 -13.699   3.475  -2.555
  242   2HH1  ARG  30          HH12      ARG  30 -13.839   4.909  -3.533
  243   1HH2  ARG  30          HH21      ARG  30 -10.366   5.432  -3.754
  244   2HH2  ARG  30          HH22      ARG  30 -11.931   6.018  -4.247
  245    H    TYR  31           HN       TYR  31 -11.031   3.276   3.566
  246    HA   TYR  31           HA       TYR  31 -13.396   2.262   4.753
  247   1HB   TYR  31          HB2       TYR  31 -10.702   2.922   5.687
  248   2HB   TYR  31          HB1       TYR  31 -11.968   3.156   6.896
  249    HD1  TYR  31           HD1      TYR  31 -12.200   1.366   8.300
  250    HD2  TYR  31           HD2      TYR  31 -11.297   0.640   4.211
  251    HE1  TYR  31           HE1      TYR  31 -12.209  -1.045   8.734
  252    HE2  TYR  31           HE2      TYR  31 -11.313  -1.780   4.633
  253    HH   TYR  31           HH       TYR  31 -12.483  -3.144   7.546
  254    H    ASN  32           HN       ASN  32 -11.830   5.485   4.898
  255    HA   ASN  32           HA       ASN  32 -14.101   6.979   4.697
  256   1HB   ASN  32          HB2       ASN  32 -14.777   7.608   6.956
  257   2HB   ASN  32          HB1       ASN  32 -14.967   5.875   6.719
  258   1HD2  ASN  32          HD21      ASN  32 -12.130   5.295   7.085
  259   2HD2  ASN  32          HD22      ASN  32 -11.800   5.492   8.771
  260    H    MET  33           HN       MET  33 -12.258   8.038   3.580
  261    HA   MET  33           HA       MET  33 -11.501  10.320   5.090
  262   1HB   MET  33          HB2       MET  33  -9.967   8.741   6.182
  263   2HB   MET  33          HB1       MET  33  -9.247   8.365   4.625
  264   1HG   MET  33          HG2       MET  33  -8.381  10.592   4.425
  265   2HG   MET  33          HG1       MET  33  -9.233  11.095   5.888
  266   1HE   MET  33          HE1       MET  33  -8.840   8.595   7.789
  267   2HE   MET  33          HE2       MET  33  -8.619  10.259   8.327
  268   3HE   MET  33          HE3       MET  33  -7.377   9.050   8.660
  269    HA   PRO  34           HA       PRO  34 -10.522  11.707   0.927
  270   1HB   PRO  34          HB2       PRO  34  -9.722  14.203   1.650
  271   2HB   PRO  34          HB1       PRO  34 -11.424  13.754   1.490
  272   1HG   PRO  34          HG2       PRO  34  -9.750  13.997   3.953
  273   2HG   PRO  34          HG1       PRO  34 -11.432  14.491   3.684
  274   1HD   PRO  34          HD2       PRO  34 -10.738  12.202   4.988
  275   2HD   PRO  34          HD1       PRO  34 -12.242  12.374   4.063
  276    H    VAL  35           HN       VAL  35  -8.764  10.184   0.907
  277    HA   VAL  35           HA       VAL  35  -6.258  10.845   2.153
  278    HB   VAL  35           HB       VAL  35  -7.196   8.492   1.820
  279   1HG1  VAL  35          HG11      VAL  35  -6.638   7.451  -0.315
  280   2HG1  VAL  35          HG12      VAL  35  -6.093   9.015  -0.922
  281   3HG1  VAL  35          HG13      VAL  35  -7.787   8.775  -0.510
  282   1HG2  VAL  35          HG21      VAL  35  -4.368   9.109   0.971
  283   2HG2  VAL  35          HG22      VAL  35  -4.971   7.520   1.452
  284   3HG2  VAL  35          HG23      VAL  35  -4.949   8.842   2.618
  285    H    ILE  36           HN       ILE  36  -4.277  11.238   1.054
  286    HA   ILE  36           HA       ILE  36  -4.663  12.228  -1.679
  287    HB   ILE  36           HB       ILE  36  -2.694  13.203   0.395
  288   1HG1  ILE  36          HG12      ILE  36  -4.955  14.031   0.772
  289   2HG1  ILE  36          HG11      ILE  36  -3.906  15.331   0.212
  290   1HG2  ILE  36          HG21      ILE  36  -2.146  14.950  -1.315
  291   2HG2  ILE  36          HG22      ILE  36  -3.019  13.973  -2.496
  292   3HG2  ILE  36          HG23      ILE  36  -1.579  13.325  -1.702
  293   1HD1  ILE  36          HD11      ILE  36  -5.883  13.822  -1.484
  294   2HD1  ILE  36          HD12      ILE  36  -4.848  15.145  -2.021
  295   3HD1  ILE  36          HD13      ILE  36  -6.106  15.442  -0.822
  296    H    ALA  37           HN       ALA  37  -4.270  10.083  -2.407
  297    HA   ALA  37           HA       ALA  37  -2.203   8.412  -1.998
  298   1HB   ALA  37          HB1       ALA  37  -3.249   9.140  -4.727
  299   2HB   ALA  37          HB2       ALA  37  -4.003   8.007  -3.604
  300   3HB   ALA  37          HB3       ALA  37  -2.415   7.651  -4.285
  301    H    GLU  38           HN       GLU  38  -2.003  11.416  -3.844
  302    HA   GLU  38           HA       GLU  38   0.542  11.038  -4.956
  303   1HB   GLU  38          HB2       GLU  38  -0.784  13.611  -4.089
  304   2HB   GLU  38          HB1       GLU  38   0.615  13.495  -5.147
  305   1HG   GLU  38          HG2       GLU  38  -0.731  12.313  -6.801
  306   2HG   GLU  38          HG1       GLU  38  -2.134  12.424  -5.737
  307    H    ALA  39           HN       ALA  39  -0.453  12.245  -1.797
  308    HA   ALA  39           HA       ALA  39   2.226  13.197  -1.230
  309   1HB   ALA  39          HB1       ALA  39  -0.172  13.142   0.611
  310   2HB   ALA  39          HB2       ALA  39   0.285  14.486  -0.437
  311   3HB   ALA  39          HB3       ALA  39   1.348  13.996   0.880
  312    H    VAL  40           HN       VAL  40   0.193  10.416  -0.339
  313    HA   VAL  40           HA       VAL  40   2.197   9.317   1.355
  314    HB   VAL  40           HB       VAL  40   0.148   7.724  -0.153
  315   1HG1  VAL  40          HG11      VAL  40   1.513   7.322   2.511
  316   2HG1  VAL  40          HG12      VAL  40   1.898   6.469   1.015
  317   3HG1  VAL  40          HG13      VAL  40   0.327   6.238   1.783
  318   1HG2  VAL  40          HG21      VAL  40  -0.178   9.229   2.446
  319   2HG2  VAL  40          HG22      VAL  40  -1.333   8.066   1.792
  320   3HG2  VAL  40          HG23      VAL  40  -1.009   9.569   0.927
  321    H    GLU  41           HN       GLU  41   1.680   9.545  -2.025
  322    HA   GLU  41           HA       GLU  41   3.602   7.554  -2.788
  323   1HB   GLU  41          HB2       GLU  41   1.666   8.304  -4.205
  324   2HB   GLU  41          HB1       GLU  41   2.490   9.840  -4.427
  325   1HG   GLU  41          HG2       GLU  41   4.363   8.655  -5.487
  326   2HG   GLU  41          HG1       GLU  41   3.476   7.141  -5.310
  327    H    ARG  42           HN       ARG  42   3.690  10.904  -1.814
  328    HA   ARG  42           HA       ARG  42   5.968  11.903  -2.891
  329   1HB   ARG  42          HB2       ARG  42   5.017  12.073  -0.044
  330   2HB   ARG  42          HB1       ARG  42   6.289  13.081  -0.717
  331   1HG   ARG  42          HG2       ARG  42   3.442  12.984  -1.667
  332   2HG   ARG  42          HG1       ARG  42   4.153  14.243  -0.652
  333   1HD   ARG  42          HD2       ARG  42   4.575  15.286  -2.569
  334   2HD   ARG  42          HD1       ARG  42   5.893  14.114  -2.719
  335    HE   ARG  42           HE       ARG  42   4.465  12.793  -4.152
  336   1HH1  ARG  42          HH11      ARG  42   3.333  16.039  -3.477
  337   2HH1  ARG  42          HH12      ARG  42   2.373  16.132  -4.927
  338   1HH2  ARG  42          HH21      ARG  42   3.224  12.914  -6.051
  339   2HH2  ARG  42          HH22      ARG  42   2.321  14.366  -6.392
  340    H    GLU  43           HN       GLU  43   5.650   9.498  -0.428
  341    HA   GLU  43           HA       GLU  43   8.539   9.460   0.092
  342   1HB   GLU  43          HB2       GLU  43   8.035   8.167   2.087
  343   2HB   GLU  43          HB1       GLU  43   7.095   9.650   2.065
  344   1HG   GLU  43          HG2       GLU  43   5.118   8.450   1.418
  345   2HG   GLU  43          HG1       GLU  43   6.037   6.955   1.239
  346    H    GLN  44           HN       GLN  44   6.746   8.209  -2.112
  347    HA   GLN  44           HA       GLN  44   7.562   5.407  -1.845
  348   1HB   GLN  44          HB2       GLN  44   5.253   5.665  -2.442
  349   2HB   GLN  44          HB1       GLN  44   5.650   6.792  -3.733
  350   1HG   GLN  44          HG2       GLN  44   6.989   4.264  -4.105
  351   2HG   GLN  44          HG1       GLN  44   5.246   4.052  -3.954
  352   1HE2  GLN  44          HE21      GLN  44   3.884   4.989  -5.494
  353   2HE2  GLN  44          HE22      GLN  44   4.470   5.551  -7.017
  354    HA   PRO  45           HA       PRO  45  10.848   6.452  -4.760
  355   1HB   PRO  45          HB2       PRO  45  12.394   4.330  -4.215
  356   2HB   PRO  45          HB1       PRO  45  12.301   5.707  -3.109
  357   1HG   PRO  45          HG2       PRO  45  10.941   3.046  -2.941
  358   2HG   PRO  45          HG1       PRO  45  11.707   3.995  -1.654
  359   1HD   PRO  45          HD2       PRO  45   8.998   3.930  -2.133
  360   2HD   PRO  45          HD1       PRO  45   9.837   5.268  -1.324
  361    H    GLU  46           HN       GLU  46  11.772   5.199  -6.623
  362    HA   GLU  46           HA       GLU  46   9.628   3.919  -8.023
  363   1HB   GLU  46          HB2       GLU  46  11.227   5.297  -9.234
  364   2HB   GLU  46          HB1       GLU  46  12.558   4.272  -8.719
  365   1HG   GLU  46          HG2       GLU  46  11.506   2.395  -9.961
  366   2HG   GLU  46          HG1       GLU  46  10.325   3.546 -10.595
  367    H    HIS  47           HN       HIS  47  12.347   2.857  -6.155
  368    HA   HIS  47           HA       HIS  47  12.708   0.265  -7.031
  369   1HB   HIS  47          HB2       HIS  47  14.016   1.439  -5.215
  370   2HB   HIS  47          HB1       HIS  47  12.682   1.097  -4.121
  371    HD1  HIS  47           HD1      HIS  47  15.843  -0.208  -5.105
  372    HD2  HIS  47           HD2      HIS  47  12.191  -1.889  -4.043
  373    HE1  HIS  47           HE1      HIS  47  16.341  -2.599  -4.495
  374    HE2  HIS  47           HE2      HIS  47  14.085  -3.646  -4.088
  375    H    LEU  48           HN       LEU  48  10.215   1.564  -4.883
  376    HA   LEU  48           HA       LEU  48   8.782  -0.993  -5.171
  377   1HB   LEU  48          HB2       LEU  48   8.599   1.088  -3.002
  378   2HB   LEU  48          HB1       LEU  48   7.374  -0.132  -3.234
  379    HG   LEU  48           HG       LEU  48   8.586  -1.020  -1.479
  380   1HD1  LEU  48          HD11      LEU  48   8.472  -2.591  -3.421
  381   2HD1  LEU  48          HD12      LEU  48   9.820  -2.901  -2.319
  382   3HD1  LEU  48          HD13      LEU  48  10.111  -2.104  -3.866
  383   1HD2  LEU  48          HD21      LEU  48  11.046  -0.896  -1.347
  384   2HD2  LEU  48          HD22      LEU  48  10.265   0.687  -1.405
  385   3HD2  LEU  48          HD23      LEU  48  11.070   0.043  -2.841
  386    H    ARG  49           HN       ARG  49   8.811   1.468  -7.034
  387    HA   ARG  49           HA       ARG  49   6.302   2.721  -6.683
  388   1HB   ARG  49          HB2       ARG  49   8.047   3.677  -8.161
  389   2HB   ARG  49          HB1       ARG  49   7.752   2.372  -9.310
  390   1HG   ARG  49          HG2       ARG  49   5.644   3.169  -9.872
  391   2HG   ARG  49          HG1       ARG  49   5.499   4.116  -8.395
  392   1HD   ARG  49          HD2       ARG  49   5.831   5.680 -10.108
  393   2HD   ARG  49          HD1       ARG  49   7.386   5.545  -9.294
  394    HE   ARG  49           HE       ARG  49   8.291   4.598 -11.192
  395   1HH1  ARG  49          HH11      ARG  49   4.810   4.862 -11.533
  396   2HH1  ARG  49          HH12      ARG  49   4.833   4.654 -13.260
  397   1HH2  ARG  49          HH21      ARG  49   8.332   4.364 -13.466
  398   2HH2  ARG  49          HH22      ARG  49   6.847   4.408 -14.370
  399    H    SER  50           HN       SER  50   7.284   0.091  -8.803
  400    HA   SER  50           HA       SER  50   4.781  -0.679  -9.770
  401   1HB   SER  50          HB2       SER  50   7.139  -2.451  -9.075
  402   2HB   SER  50          HB1       SER  50   5.774  -2.929 -10.084
  403    HG   SER  50           HG       SER  50   7.019  -2.201 -11.623
  404    H    TRP  51           HN       TRP  51   6.493  -1.671  -6.881
  405    HA   TRP  51           HA       TRP  51   4.582  -3.435  -5.830
  406   1HB   TRP  51          HB2       TRP  51   6.725  -3.710  -5.016
  407   2HB   TRP  51          HB1       TRP  51   7.020  -1.973  -4.908
  408    HD1  TRP  51           HD1      TRP  51   5.746  -0.846  -2.492
  409    HE1  TRP  51           HE1      TRP  51   5.774  -1.987  -0.203
  410    HE3  TRP  51           HE3      TRP  51   6.737  -5.573  -4.001
  411    HZ2  TRP  51           HZ2      TRP  51   6.242  -4.530   0.827
  412    HZ3  TRP  51           HZ3      TRP  51   7.000  -7.299  -2.339
  413    HH2  TRP  51           HH2      TRP  51   6.757  -6.818   0.068
  414    H    PHE  52           HN       PHE  52   5.073   0.050  -5.246
  415    HA   PHE  52           HA       PHE  52   3.080   0.465  -3.384
  416   1HB   PHE  52          HB2       PHE  52   4.639   2.216  -4.319
  417   2HB   PHE  52          HB1       PHE  52   3.596   2.298  -5.735
  418    HD1  PHE  52           HD1      PHE  52   3.717   2.850  -2.082
  419    HD2  PHE  52           HD2      PHE  52   1.614   3.573  -5.709
  420    HE1  PHE  52           HE1      PHE  52   2.316   4.509  -0.931
  421    HE2  PHE  52           HE2      PHE  52   0.202   5.227  -4.561
  422    HZ   PHE  52           HZ       PHE  52   0.558   5.701  -2.171
  423    H    ARG  53           HN       ARG  53   2.751   0.474  -6.925
  424    HA   ARG  53           HA       ARG  53  -0.020   0.707  -7.127
  425   1HB   ARG  53          HB2       ARG  53   1.349  -1.352  -8.796
  426   2HB   ARG  53          HB1       ARG  53   0.075  -0.227  -9.242
  427   1HG   ARG  53          HG2       ARG  53   1.607   1.599  -9.366
  428   2HG   ARG  53          HG1       ARG  53   2.916   0.602  -8.716
  429   1HD   ARG  53          HD2       ARG  53   1.475   0.229 -11.329
  430   2HD   ARG  53          HD1       ARG  53   3.150   0.739 -11.105
  431    HE   ARG  53           HE       ARG  53   3.247  -1.599  -9.901
  432   1HH1  ARG  53          HH11      ARG  53   1.604  -0.771 -12.868
  433   2HH1  ARG  53          HH12      ARG  53   1.752  -2.363 -13.552
  434   1HH2  ARG  53          HH21      ARG  53   3.464  -3.708 -10.774
  435   2HH2  ARG  53          HH22      ARG  53   2.818  -4.044 -12.358
  436    H    GLU  54           HN       GLU  54   1.963  -2.195  -6.803
  437    HA   GLU  54           HA       GLU  54  -0.216  -3.943  -7.061
  438   1HB   GLU  54          HB2       GLU  54   2.575  -4.470  -6.063
  439   2HB   GLU  54          HB1       GLU  54   1.410  -5.713  -6.512
  440   1HG   GLU  54          HG2       GLU  54   1.376  -4.918  -8.787
  441   2HG   GLU  54          HG1       GLU  54   2.428  -3.570  -8.354
  442    H    ARG  55           HN       ARG  55   1.349  -2.491  -4.341
  443    HA   ARG  55           HA       ARG  55   0.024  -4.081  -2.370
  444   1HB   ARG  55          HB2       ARG  55   1.792  -1.720  -2.399
  445   2HB   ARG  55          HB1       ARG  55   0.668  -1.795  -1.054
  446   1HG   ARG  55          HG2       ARG  55   2.925  -2.760  -0.615
  447   2HG   ARG  55          HG1       ARG  55   1.575  -3.844  -0.293
  448   1HD   ARG  55          HD2       ARG  55   2.923  -3.926  -2.955
  449   2HD   ARG  55          HD1       ARG  55   3.697  -4.690  -1.568
  450    HE   ARG  55           HE       ARG  55   1.190  -5.695  -1.479
  451   1HH1  ARG  55          HH11      ARG  55   3.576  -5.496  -4.041
  452   2HH1  ARG  55          HH12      ARG  55   3.021  -6.935  -4.840
  453   1HH2  ARG  55          HH21      ARG  55   0.481  -7.587  -2.522
  454   2HH2  ARG  55          HH22      ARG  55   1.274  -8.124  -3.967
  455    H    LEU  56           HN       LEU  56  -0.491  -0.883  -3.841
  456    HA   LEU  56           HA       LEU  56  -2.912  -0.230  -2.627
  457   1HB   LEU  56          HB2       LEU  56  -2.025   0.187  -5.484
  458   2HB   LEU  56          HB1       LEU  56  -3.487   0.879  -4.820
  459    HG   LEU  56           HG       LEU  56  -0.681   1.493  -3.880
  460   1HD1  LEU  56          HD11      LEU  56  -1.084   3.678  -4.922
  461   2HD1  LEU  56          HD12      LEU  56  -2.625   3.089  -5.547
  462   3HD1  LEU  56          HD13      LEU  56  -1.113   2.370  -6.104
  463   1HD2  LEU  56          HD21      LEU  56  -3.341   2.708  -3.123
  464   2HD2  LEU  56          HD22      LEU  56  -1.756   3.279  -2.600
  465   3HD2  LEU  56          HD23      LEU  56  -2.334   1.693  -2.089
  466    H    ILE  57           HN       ILE  57  -2.184  -2.339  -5.341
  467    HA   ILE  57           HA       ILE  57  -4.698  -2.998  -6.202
  468    HB   ILE  57           HB       ILE  57  -2.097  -4.477  -6.174
  469   1HG1  ILE  57          HG12      ILE  57  -3.720  -3.174  -8.362
  470   2HG1  ILE  57          HG11      ILE  57  -2.271  -2.516  -7.615
  471   1HG2  ILE  57          HG21      ILE  57  -3.820  -6.166  -6.119
  472   2HG2  ILE  57          HG22      ILE  57  -3.028  -6.111  -7.691
  473   3HG2  ILE  57          HG23      ILE  57  -4.630  -5.403  -7.486
  474   1HD1  ILE  57          HD11      ILE  57  -1.795  -3.471  -9.794
  475   2HD1  ILE  57          HD12      ILE  57  -2.416  -5.033  -9.258
  476   3HD1  ILE  57          HD13      ILE  57  -0.962  -4.358  -8.518
  477    H    ALA  58           HN       ALA  58  -2.684  -4.842  -3.905
  478    HA   ALA  58           HA       ALA  58  -4.763  -6.709  -3.339
  479   1HB   ALA  58          HB1       ALA  58  -3.232  -7.616  -1.678
  480   2HB   ALA  58          HB2       ALA  58  -2.195  -6.199  -1.845
  481   3HB   ALA  58          HB3       ALA  58  -2.401  -7.305  -3.202
  482    H    HIS  59           HN       HIS  59  -3.587  -3.821  -1.700
  483    HA   HIS  59           HA       HIS  59  -5.108  -4.361   0.679
  484   1HB   HIS  59          HB2       HIS  59  -3.542  -1.914  -0.160
  485   2HB   HIS  59          HB1       HIS  59  -4.375  -2.064   1.383
  486    HD1  HIS  59           HD1      HIS  59  -3.550  -4.671   2.515
  487    HD2  HIS  59           HD2      HIS  59  -0.920  -2.341   0.273
  488    HE1  HIS  59           HE1      HIS  59  -1.245  -5.419   3.170
  489    HE2  HIS  59           HE2      HIS  59   0.327  -3.829   1.995
  490    H    ARG  60           HN       ARG  60  -5.583  -2.543  -2.284
  491    HA   ARG  60           HA       ARG  60  -7.940  -1.207  -1.401
  492   1HB   ARG  60          HB2       ARG  60  -6.727  -0.529  -3.455
  493   2HB   ARG  60          HB1       ARG  60  -7.207  -2.039  -4.217
  494   1HG   ARG  60          HG2       ARG  60  -9.563  -1.380  -3.991
  495   2HG   ARG  60          HG1       ARG  60  -9.046   0.157  -3.297
  496   1HD   ARG  60          HD2       ARG  60  -8.337  -0.854  -6.050
  497   2HD   ARG  60          HD1       ARG  60  -9.577   0.346  -5.689
  498    HE   ARG  60           HE       ARG  60  -7.415   1.478  -4.588
  499   1HH1  ARG  60          HH11      ARG  60  -7.906   0.019  -7.749
  500   2HH1  ARG  60          HH12      ARG  60  -6.708   1.015  -8.520
  501   1HH2  ARG  60          HH21      ARG  60  -5.862   2.787  -5.624
  502   2HH2  ARG  60          HH22      ARG  60  -5.547   2.582  -7.323
  503    H    LEU  61           HN       LEU  61  -7.287  -4.296  -3.017
  504    HA   LEU  61           HA       LEU  61  -9.942  -5.225  -3.115
  505   1HB   LEU  61          HB2       LEU  61  -7.384  -6.786  -2.713
  506   2HB   LEU  61          HB1       LEU  61  -8.933  -7.492  -3.131
  507    HG   LEU  61           HG       LEU  61  -7.347  -5.582  -4.850
  508   1HD1  LEU  61          HD11      LEU  61  -7.055  -7.527  -6.313
  509   2HD1  LEU  61          HD12      LEU  61  -7.863  -8.540  -5.117
  510   3HD1  LEU  61          HD13      LEU  61  -6.322  -7.775  -4.729
  511   1HD2  LEU  61          HD21      LEU  61  -9.746  -5.295  -5.160
  512   2HD2  LEU  61          HD22      LEU  61  -9.934  -7.032  -5.404
  513   3HD2  LEU  61          HD23      LEU  61  -9.020  -6.072  -6.567
  514    H    ALA  62           HN       ALA  62  -7.607  -5.040  -0.516
  515    HA   ALA  62           HA       ALA  62  -9.169  -6.590   1.330
  516   1HB   ALA  62          HB1       ALA  62  -6.741  -6.357   1.559
  517   2HB   ALA  62          HB2       ALA  62  -7.590  -5.826   3.010
  518   3HB   ALA  62          HB3       ALA  62  -6.940  -4.635   1.883
  519    H    SER  63           HN       SER  63  -9.035  -3.190   0.445
  520    HA   SER  63           HA       SER  63 -10.484  -2.397   2.827
  521   1HB   SER  63          HB2       SER  63 -10.355  -0.092   1.613
  522   2HB   SER  63          HB1       SER  63  -8.896  -0.800   2.311
  523    HG   SER  63           HG       SER  63  -8.176  -1.320   0.337
  524    H    VAL  64           HN       VAL  64 -11.202  -2.510  -0.676
  525    HA   VAL  64           HA       VAL  64 -13.707  -1.556  -0.749
  526    HB   VAL  64           HB       VAL  64 -14.279  -3.263  -2.434
  527   1HG1  VAL  64          HG11      VAL  64 -13.107  -1.267  -3.096
  528   2HG1  VAL  64          HG12      VAL  64 -12.536  -2.643  -4.041
  529   3HG1  VAL  64          HG13      VAL  64 -11.563  -2.026  -2.707
  530   1HG2  VAL  64          HG21      VAL  64 -13.158  -5.198  -1.485
  531   2HG2  VAL  64          HG22      VAL  64 -11.595  -4.435  -1.772
  532   3HG2  VAL  64          HG23      VAL  64 -12.610  -4.904  -3.136
  533    H    ASN  65           HN       ASN  65 -12.924  -4.836   0.393
  534    HA   ASN  65           HA       ASN  65 -15.494  -5.395   1.445
  535   1HB   ASN  65          HB2       ASN  65 -12.766  -6.571   1.950
  536   2HB   ASN  65          HB1       ASN  65 -14.220  -7.173   2.741
  537   1HD2  ASN  65          HD21      ASN  65 -12.431  -6.988  -0.218
  538   2HD2  ASN  65          HD22      ASN  65 -13.402  -8.109  -1.105
  539    H    LEU  66           HN       LEU  66 -14.866  -2.863   2.286
  540    HA   LEU  66           HA       LEU  66 -13.533  -2.578   4.722
  541   1HB   LEU  66          HB2       LEU  66 -14.870  -0.397   4.813
  542   2HB   LEU  66          HB1       LEU  66 -13.771  -0.647   3.472
  543    HG   LEU  66           HG       LEU  66 -15.835  -1.446   2.167
  544   1HD1  LEU  66          HD11      LEU  66 -17.218   0.015   4.409
  545   2HD1  LEU  66          HD12      LEU  66 -17.362  -1.702   4.032
  546   3HD1  LEU  66          HD13      LEU  66 -17.966  -0.497   2.896
  547   1HD2  LEU  66          HD21      LEU  66 -15.613   1.439   2.996
  548   2HD2  LEU  66          HD22      LEU  66 -16.414   0.835   1.546
  549   3HD2  LEU  66          HD23      LEU  66 -14.671   0.647   1.734
  550    H    SER  67           HN       SER  67 -15.243  -0.974   6.188
  551    HA   SER  67           HA       SER  67 -16.770  -0.915   7.835
  552   1HB   SER  67          HB2       SER  67 -18.404  -1.971   6.352
  553   2HB   SER  67          HB1       SER  67 -17.803  -3.563   6.811
  554    HG   SER  67           HG       SER  67 -18.594  -1.810   8.848
  555    H    ARG  68           HN       ARG  68 -16.401  -4.467   7.873
  556    HA   ARG  68           HA       ARG  68 -14.797  -4.180  10.314
  557   1HB   ARG  68          HB2       ARG  68 -17.400  -5.710  10.185
  558   2HB   ARG  68          HB1       ARG  68 -16.279  -5.740  11.535
  559   1HG   ARG  68          HG2       ARG  68 -16.641  -3.365  11.910
  560   2HG   ARG  68          HG1       ARG  68 -17.742  -3.310  10.532
  561   1HD   ARG  68          HD2       ARG  68 -18.105  -4.896  13.069
  562   2HD   ARG  68          HD1       ARG  68 -18.999  -3.451  12.598
  563    HE   ARG  68           HE       ARG  68 -19.196  -5.589  10.689
  564   1HH1  ARG  68          HH11      ARG  68 -20.549  -4.242  13.634
  565   2HH1  ARG  68          HH12      ARG  68 -22.067  -5.063  13.444
  566   1HH2  ARG  68          HH21      ARG  68 -21.187  -6.626  10.432
  567   2HH2  ARG  68          HH22      ARG  68 -22.438  -6.417  11.626
  568    H    LEU  69           HN       LEU  69 -14.642  -5.437   7.454
  569    HA   LEU  69           HA       LEU  69 -14.360  -8.243   8.091
  570   1HB   LEU  69          HB2       LEU  69 -14.065  -6.659   5.562
  571   2HB   LEU  69          HB1       LEU  69 -13.498  -8.315   5.654
  572    HG   LEU  69           HG       LEU  69 -15.825  -8.992   6.323
  573   1HD1  LEU  69          HD11      LEU  69 -17.656  -7.458   5.823
  574   2HD1  LEU  69          HD12      LEU  69 -16.495  -6.175   5.481
  575   3HD1  LEU  69          HD13      LEU  69 -16.629  -6.831   7.113
  576   1HD2  LEU  69          HD21      LEU  69 -16.699  -8.870   4.049
  577   2HD2  LEU  69          HD22      LEU  69 -14.987  -9.291   4.063
  578   3HD2  LEU  69          HD23      LEU  69 -15.491  -7.652   3.648
  579    HA   PRO  70           HA       PRO  70 -10.152  -7.886   9.250
  580   1HB   PRO  70          HB2       PRO  70  -9.591 -10.490   9.505
  581   2HB   PRO  70          HB1       PRO  70 -10.637  -9.645  10.652
  582   1HG   PRO  70          HG2       PRO  70 -11.352 -11.441   8.378
  583   2HG   PRO  70          HG1       PRO  70 -12.091 -11.324   9.985
  584   1HD   PRO  70          HD2       PRO  70 -13.134 -10.183   7.711
  585   2HD   PRO  70          HD1       PRO  70 -13.454  -9.603   9.356
  586    H    TYR  71           HN       TYR  71  -9.819  -7.123   6.912
  587    HA   TYR  71           HA       TYR  71  -8.594  -9.243   5.332
  588   1HB   TYR  71          HB2       TYR  71  -9.747  -6.595   4.620
  589   2HB   TYR  71          HB1       TYR  71  -8.684  -7.469   3.510
  590    HD1  TYR  71           HD1      TYR  71 -10.845  -9.243   5.879
  591    HD2  TYR  71           HD2      TYR  71 -10.387  -7.844   1.867
  592    HE1  TYR  71           HE1      TYR  71 -12.779 -10.603   5.186
  593    HE2  TYR  71           HE2      TYR  71 -12.302  -9.192   1.193
  594    HH   TYR  71           HH       TYR  71 -14.423 -10.734   3.426
  595    H    GLU  72           HN       GLU  72  -7.795  -6.628   7.253
  596    HA   GLU  72           HA       GLU  72  -5.036  -7.262   6.807
  597   1HB   GLU  72          HB2       GLU  72  -6.066  -4.527   7.576
  598   2HB   GLU  72          HB1       GLU  72  -4.373  -4.990   7.538
  599   1HG   GLU  72          HG2       GLU  72  -6.215  -4.879   5.164
  600   2HG   GLU  72          HG1       GLU  72  -5.008  -3.670   5.592
  601    HA   PRO  73           HA       PRO  73  -6.935  -8.398  10.740
  602   1HB   PRO  73          HB2       PRO  73  -5.283 -10.773  10.762
  603   2HB   PRO  73          HB1       PRO  73  -7.025 -10.642  10.514
  604   1HG   PRO  73          HG2       PRO  73  -5.269 -11.393   8.562
  605   2HG   PRO  73          HG1       PRO  73  -6.822 -10.601   8.235
  606   1HD   PRO  73          HD2       PRO  73  -4.072  -9.417   8.326
  607   2HD   PRO  73          HD1       PRO  73  -5.398  -9.101   7.182
  608    H    LYS  74           HN       LYS  74  -5.727  -9.784  12.708
  609    HA   LYS  74           HA       LYS  74  -3.949  -7.838  13.826
  610   1HB   LYS  74          HB2       LYS  74  -4.476 -10.593  14.939
  611   2HB   LYS  74          HB1       LYS  74  -4.015  -9.144  15.815
  612   1HG   LYS  74          HG2       LYS  74  -6.672  -9.667  14.502
  613   2HG   LYS  74          HG1       LYS  74  -6.330  -9.666  16.230
  614   1HD   LYS  74          HD2       LYS  74  -6.028  -7.280  14.409
  615   2HD   LYS  74          HD1       LYS  74  -7.423  -7.589  15.443
  616   1HE   LYS  74          HE2       LYS  74  -5.974  -7.516  17.416
  617   2HE   LYS  74          HE1       LYS  74  -4.581  -7.197  16.381
  618   1HZ   LYS  74          HZ1       LYS  74  -5.428  -5.158  17.330
  619   2HZ   LYS  74          HZ2       LYS  74  -6.968  -5.449  16.682
  620   3HZ   LYS  74          HZ3       LYS  74  -5.657  -5.149  15.650
  621    H    LEU  75           HN       LEU  75  -3.684 -11.085  12.543
  622    HA   LEU  75           HA       LEU  75  -0.950 -11.396  12.902
  623   1HB   LEU  75          HB2       LEU  75  -2.796 -12.685  10.908
  624   2HB   LEU  75          HB1       LEU  75  -1.170 -13.233  11.273
  625    HG   LEU  75           HG       LEU  75  -3.438 -13.154  13.264
  626   1HD1  LEU  75          HD11      LEU  75  -2.264 -15.483  11.751
  627   2HD1  LEU  75          HD12      LEU  75  -3.871 -14.792  11.520
  628   3HD1  LEU  75          HD13      LEU  75  -3.464 -15.590  13.040
  629   1HD2  LEU  75          HD21      LEU  75  -1.214 -12.927  14.264
  630   2HD2  LEU  75          HD22      LEU  75  -0.692 -14.391  13.434
  631   3HD2  LEU  75          HD23      LEU  75  -1.951 -14.478  14.666
  632    H    LYS  76           HN       LYS  76   0.544 -11.704  10.968
  633    HA   LYS  76           HA       LYS  76   1.778 -10.754   9.330
  634   1HB   LYS  76          HB2       LYS  76  -0.957  -9.978   8.323
  635   2HB   LYS  76          HB1       LYS  76   0.512  -9.543   7.464
  636   1HG   LYS  76          HG2       LYS  76  -0.203 -11.481   6.405
  637   2HG   LYS  76          HG1       LYS  76   1.054 -12.041   7.509
  638   1HD   LYS  76          HD2       LYS  76  -0.672 -12.719   9.117
  639   2HD   LYS  76          HD1       LYS  76  -1.922 -12.183   7.992
  640   1HE   LYS  76          HE2       LYS  76  -1.687 -14.556   7.776
  641   2HE   LYS  76          HE1       LYS  76  -1.024 -13.801   6.327
  642   1HZ   LYS  76          HZ1       LYS  76   1.206 -14.037   7.350
  643   2HZ   LYS  76          HZ2       LYS  76   0.449 -15.518   7.043
  644   3HZ   LYS  76          HZ3       LYS  76   0.502 -14.910   8.623
  Start of MODEL    9
    1   1H    MET   1           HT1      MET   1  25.532 -20.152  11.764
    2   2H    MET   1           HT2      MET   1  24.415 -21.266  12.378
    3   3H    MET   1           HT3      MET   1  26.038 -21.348  12.856
    4    HA   MET   1           HA       MET   1  24.658 -20.387  14.585
    5   1HB   MET   1          HB2       MET   1  26.582 -18.477  13.244
    6   2HB   MET   1          HB1       MET   1  25.919 -18.225  14.852
    7   1HG   MET   1          HG2       MET   1  28.095 -19.129  15.098
    8   2HG   MET   1          HG1       MET   1  26.944 -20.386  15.535
    9   1HE   MET   1          HE1       MET   1  29.505 -19.108  12.859
   10   2HE   MET   1          HE2       MET   1  28.000 -19.153  11.939
   11   3HE   MET   1          HE3       MET   1  29.296 -20.288  11.563
   12    H    LEU   2           HN       LEU   2  22.745 -19.458  14.932
   13    HA   LEU   2           HA       LEU   2  21.418 -18.122  12.782
   14   1HB   LEU   2          HB2       LEU   2  20.572 -18.611  15.627
   15   2HB   LEU   2          HB1       LEU   2  19.551 -17.865  14.412
   16    HG   LEU   2           HG       LEU   2  20.647 -20.677  14.315
   17   1HD1  LEU   2          HD11      LEU   2  17.862 -19.618  14.766
   18   2HD1  LEU   2          HD12      LEU   2  18.886 -20.412  15.962
   19   3HD1  LEU   2          HD13      LEU   2  18.292 -21.318  14.570
   20   1HD2  LEU   2          HD21      LEU   2  19.187 -20.925  12.347
   21   2HD2  LEU   2          HD22      LEU   2  20.469 -19.744  12.080
   22   3HD2  LEU   2          HD23      LEU   2  18.825 -19.200  12.416
   23    H    LYS   3           HN       LYS   3  23.097 -16.453  12.671
   24    HA   LYS   3           HA       LYS   3  21.998 -14.038  13.932
   25   1HB   LYS   3          HB2       LYS   3  24.959 -14.607  13.577
   26   2HB   LYS   3          HB1       LYS   3  24.276 -13.080  14.107
   27   1HG   LYS   3          HG2       LYS   3  23.441 -14.134  16.129
   28   2HG   LYS   3          HG1       LYS   3  24.082 -15.689  15.592
   29   1HD   LYS   3          HD2       LYS   3  26.349 -14.723  15.590
   30   2HD   LYS   3          HD1       LYS   3  25.683 -13.203  16.188
   31   1HE   LYS   3          HE2       LYS   3  25.549 -15.864  17.594
   32   2HE   LYS   3          HE1       LYS   3  26.647 -14.545  17.994
   33   1HZ   LYS   3          HZ1       LYS   3  24.819 -14.468  19.487
   34   2HZ   LYS   3          HZ2       LYS   3  23.686 -14.551  18.233
   35   3HZ   LYS   3          HZ3       LYS   3  24.637 -13.162  18.420
   36    H    ASN   4           HN       ASN   4  21.874 -15.583  11.382
   37    HA   ASN   4           HA       ASN   4  23.617 -14.392   9.483
   38   1HB   ASN   4          HB2       ASN   4  21.126 -15.915   8.771
   39   2HB   ASN   4          HB1       ASN   4  22.653 -15.833   7.899
   40   1HD2  ASN   4          HD21      ASN   4  24.451 -16.991   8.720
   41   2HD2  ASN   4          HD22      ASN   4  24.216 -18.362   9.757
   42    H    LEU   5           HN       LEU   5  23.391 -12.579   8.397
   43    HA   LEU   5           HA       LEU   5  20.762 -11.367   8.076
   44   1HB   LEU   5          HB2       LEU   5  22.736  -9.934   8.545
   45   2HB   LEU   5          HB1       LEU   5  23.462 -10.471   7.044
   46    HG   LEU   5           HG       LEU   5  21.609  -9.436   5.784
   47   1HD1  LEU   5          HD11      LEU   5  20.737  -8.400   8.482
   48   2HD1  LEU   5          HD12      LEU   5  19.877  -9.587   7.501
   49   3HD1  LEU   5          HD13      LEU   5  20.060  -7.933   6.921
   50   1HD2  LEU   5          HD21      LEU   5  23.675  -8.194   6.174
   51   2HD2  LEU   5          HD22      LEU   5  23.022  -7.569   7.688
   52   3HD2  LEU   5          HD23      LEU   5  22.280  -7.114   6.156
   53    H    ALA   6           HN       ALA   6  19.529 -12.284   6.560
   54    HA   ALA   6           HA       ALA   6  20.691 -13.934   4.514
   55   1HB   ALA   6          HB1       ALA   6  18.372 -14.450   3.946
   56   2HB   ALA   6          HB2       ALA   6  17.823 -13.189   5.050
   57   3HB   ALA   6          HB3       ALA   6  18.667 -14.605   5.678
   58    H    LYS   7           HN       LYS   7  18.584 -13.418   2.555
   59    HA   LYS   7           HA       LYS   7  19.988 -11.489   0.989
   60   1HB   LYS   7          HB2       LYS   7  18.204 -11.947  -0.701
   61   2HB   LYS   7          HB1       LYS   7  19.049 -13.378  -0.131
   62   1HG   LYS   7          HG2       LYS   7  17.185 -13.942   1.310
   63   2HG   LYS   7          HG1       LYS   7  16.344 -12.465   0.833
   64   1HD   LYS   7          HD2       LYS   7  16.239 -13.244  -1.465
   65   2HD   LYS   7          HD1       LYS   7  17.148 -14.692  -1.036
   66   1HE   LYS   7          HE2       LYS   7  14.454 -13.945   0.085
   67   2HE   LYS   7          HE1       LYS   7  14.715 -15.085  -1.232
   68   1HZ   LYS   7          HZ1       LYS   7  14.471 -16.324   0.757
   69   2HZ   LYS   7          HZ2       LYS   7  15.586 -15.361   1.594
   70   3HZ   LYS   7          HZ3       LYS   7  16.117 -16.386   0.355
   71    H    LEU   8           HN       LEU   8  18.554 -10.598   3.481
   72    HA   LEU   8           HA       LEU   8  16.752  -8.593   2.334
   73   1HB   LEU   8          HB2       LEU   8  17.273  -9.383   5.206
   74   2HB   LEU   8          HB1       LEU   8  16.241  -8.051   4.732
   75    HG   LEU   8           HG       LEU   8  14.799  -9.842   5.251
   76   1HD1  LEU   8          HD11      LEU   8  15.117  -9.742   2.261
   77   2HD1  LEU   8          HD12      LEU   8  14.150  -8.651   3.254
   78   3HD1  LEU   8          HD13      LEU   8  13.705 -10.352   3.123
   79   1HD2  LEU   8          HD21      LEU   8  14.984 -12.078   4.286
   80   2HD2  LEU   8          HD22      LEU   8  16.420 -11.658   5.218
   81   3HD2  LEU   8          HD23      LEU   8  16.466 -11.601   3.456
   82    H    ASP   9           HN       ASP   9  18.235  -7.219   1.399
   83    HA   ASP   9           HA       ASP   9  20.490  -6.299   3.003
   84   1HB   ASP   9          HB2       ASP   9  20.883  -7.188   0.699
   85   2HB   ASP   9          HB1       ASP   9  19.962  -5.831   0.065
   86    H    GLN  10           HN       GLN  10  17.971  -5.499   3.659
   87    HA   GLN  10           HA       GLN  10  17.280  -3.701   4.772
   88   1HB   GLN  10          HB2       GLN  10  19.368  -2.163   3.246
   89   2HB   GLN  10          HB1       GLN  10  18.289  -1.430   4.425
   90   1HG   GLN  10          HG2       GLN  10  19.174  -2.891   6.164
   91   2HG   GLN  10          HG1       GLN  10  20.242  -3.653   4.988
   92   1HE2  GLN  10          HE21      GLN  10  20.857  -2.227   7.446
   93   2HE2  GLN  10          HE22      GLN  10  21.927  -0.940   6.994
   94    H    THR  11           HN       THR  11  16.953  -4.472   1.749
   95    HA   THR  11           HA       THR  11  15.155  -2.317   0.895
   96    HB   THR  11           HB       THR  11  15.870  -4.976  -0.396
   97    HG1  THR  11           HG1      THR  11  17.047  -2.506  -0.383
   98   1HG2  THR  11          HG21      THR  11  14.805  -4.120  -2.425
   99   2HG2  THR  11          HG22      THR  11  14.334  -2.652  -1.569
  100   3HG2  THR  11          HG23      THR  11  13.640  -4.204  -1.101
  101    H    GLU  12           HN       GLU  12  15.174  -5.033   2.801
  102    HA   GLU  12           HA       GLU  12  12.435  -5.636   2.666
  103   1HB   GLU  12          HB2       GLU  12  12.815  -6.608   4.943
  104   2HB   GLU  12          HB1       GLU  12  13.857  -7.224   3.676
  105   1HG   GLU  12          HG2       GLU  12  15.434  -6.935   5.247
  106   2HG   GLU  12          HG1       GLU  12  15.442  -5.298   4.597
  107    H    MET  13           HN       MET  13  14.268  -3.128   3.904
  108    HA   MET  13           HA       MET  13  12.214  -1.997   5.581
  109   1HB   MET  13          HB2       MET  13  14.883  -0.983   4.596
  110   2HB   MET  13          HB1       MET  13  13.735   0.076   5.397
  111   1HG   MET  13          HG2       MET  13  13.819  -1.287   7.388
  112   2HG   MET  13          HG1       MET  13  14.905  -2.421   6.587
  113   1HE   MET  13          HE1       MET  13  14.940   1.485   6.253
  114   2HE   MET  13          HE2       MET  13  16.054   1.942   7.543
  115   3HE   MET  13          HE3       MET  13  14.484   1.243   7.940
  116    H    ASP  14           HN       ASP  14  13.818  -1.291   2.448
  117    HA   ASP  14           HA       ASP  14  12.306   0.617   1.500
  118   1HB   ASP  14          HB2       ASP  14  13.366  -1.780   0.062
  119   2HB   ASP  14          HB1       ASP  14  12.585  -0.461  -0.791
  120    H    LYS  15           HN       LYS  15  11.484  -2.777   1.020
  121    HA   LYS  15           HA       LYS  15   8.957  -2.455  -0.122
  122   1HB   LYS  15          HB2       LYS  15  10.145  -4.740   1.464
  123   2HB   LYS  15          HB1       LYS  15   8.628  -4.835   0.579
  124   1HG   LYS  15          HG2       LYS  15   9.840  -4.306  -1.501
  125   2HG   LYS  15          HG1       LYS  15  11.352  -4.313  -0.592
  126   1HD   LYS  15          HD2       LYS  15  10.993  -6.651   0.006
  127   2HD   LYS  15          HD1       LYS  15   9.460  -6.647  -0.871
  128   1HE   LYS  15          HE2       LYS  15  10.660  -6.152  -2.950
  129   2HE   LYS  15          HE1       LYS  15  12.187  -6.165  -2.073
  130   1HZ   LYS  15          HZ1       LYS  15  11.760  -8.497  -1.499
  131   2HZ   LYS  15          HZ2       LYS  15  11.853  -8.254  -3.177
  132   3HZ   LYS  15          HZ3       LYS  15  10.344  -8.468  -2.434
  133    H    VAL  16           HN       VAL  16   9.828  -3.107   3.310
  134    HA   VAL  16           HA       VAL  16   7.150  -3.303   4.160
  135    HB   VAL  16           HB       VAL  16   9.365  -3.943   5.371
  136   1HG1  VAL  16          HG11      VAL  16   9.976  -2.439   7.201
  137   2HG1  VAL  16          HG12      VAL  16   8.913  -1.209   6.518
  138   3HG1  VAL  16          HG13      VAL  16  10.323  -1.755   5.611
  139   1HG2  VAL  16          HG21      VAL  16   7.139  -4.524   6.158
  140   2HG2  VAL  16          HG22      VAL  16   6.970  -2.925   6.882
  141   3HG2  VAL  16          HG23      VAL  16   8.173  -4.051   7.508
  142    H    ASN  17           HN       ASN  17   9.327  -0.579   3.905
  143    HA   ASN  17           HA       ASN  17   7.688   1.332   5.188
  144   1HB   ASN  17          HB2       ASN  17   9.926   1.553   3.195
  145   2HB   ASN  17          HB1       ASN  17   9.003   2.980   3.649
  146   1HD2  ASN  17          HD21      ASN  17   9.641   0.388   5.892
  147   2HD2  ASN  17          HD22      ASN  17  10.760   1.255   6.891
  148    H    VAL  18           HN       VAL  18   7.993   0.456   1.721
  149    HA   VAL  18           HA       VAL  18   6.081   2.412   0.957
  150    HB   VAL  18           HB       VAL  18   7.142   0.121  -0.649
  151   1HG1  VAL  18          HG11      VAL  18   6.412   1.443  -2.567
  152   2HG1  VAL  18          HG12      VAL  18   5.773   2.679  -1.484
  153   3HG1  VAL  18          HG13      VAL  18   5.046   1.072  -1.515
  154   1HG2  VAL  18          HG21      VAL  18   8.903   1.616   0.178
  155   2HG2  VAL  18          HG22      VAL  18   8.031   3.001  -0.478
  156   3HG2  VAL  18          HG23      VAL  18   8.689   1.777  -1.565
  157    H    ASP  19           HN       ASP  19   6.031  -0.890   1.893
  158    HA   ASP  19           HA       ASP  19   3.485  -1.664   0.921
  159   1HB   ASP  19          HB2       ASP  19   5.295  -3.204   1.754
  160   2HB   ASP  19          HB1       ASP  19   4.924  -2.674   3.389
  161    H    LEU  20           HN       LEU  20   4.564  -0.623   4.146
  162    HA   LEU  20           HA       LEU  20   2.039  -0.581   5.351
  163   1HB   LEU  20          HB2       LEU  20   4.523   1.002   5.982
  164   2HB   LEU  20          HB1       LEU  20   3.107   0.950   7.013
  165    HG   LEU  20           HG       LEU  20   4.798  -1.441   6.276
  166   1HD1  LEU  20          HD11      LEU  20   5.558  -1.358   8.596
  167   2HD1  LEU  20          HD12      LEU  20   4.645   0.129   8.847
  168   3HD1  LEU  20          HD13      LEU  20   6.002   0.107   7.721
  169   1HD2  LEU  20          HD21      LEU  20   3.512  -2.610   7.972
  170   2HD2  LEU  20          HD22      LEU  20   2.451  -1.992   6.706
  171   3HD2  LEU  20          HD23      LEU  20   2.545  -1.163   8.259
  172    H    ALA  21           HN       ALA  21   3.836   1.982   3.654
  173    HA   ALA  21           HA       ALA  21   2.025   4.066   4.147
  174   1HB   ALA  21          HB1       ALA  21   3.758   3.640   1.722
  175   2HB   ALA  21          HB2       ALA  21   4.274   4.389   3.234
  176   3HB   ALA  21          HB3       ALA  21   3.043   5.166   2.238
  177    H    ALA  22           HN       ALA  22   2.181   1.725   1.477
  178    HA   ALA  22           HA       ALA  22  -0.014   2.763   0.027
  179   1HB   ALA  22          HB1       ALA  22   0.039   0.652  -1.196
  180   2HB   ALA  22          HB2       ALA  22   1.110  -0.034   0.027
  181   3HB   ALA  22          HB3       ALA  22   1.666   1.304  -0.979
  182    H    ALA  23           HN       ALA  23   0.226   0.622   2.750
  183    HA   ALA  23           HA       ALA  23  -2.406  -0.494   2.532
  184   1HB   ALA  23          HB1       ALA  23  -2.001  -1.323   4.775
  185   2HB   ALA  23          HB2       ALA  23  -0.610  -0.250   4.941
  186   3HB   ALA  23          HB3       ALA  23  -0.563  -1.584   3.785
  187    H    GLY  24           HN       GLY  24  -0.809   2.150   4.076
  188   1HA   GLY  24          HA2       GLY  24  -2.873   2.863   5.850
  189   2HA   GLY  24          HA1       GLY  24  -1.486   3.841   5.394
  190    H    VAL  25           HN       VAL  25  -1.837   4.097   2.696
  191    HA   VAL  25           HA       VAL  25  -3.844   6.111   2.589
  192    HB   VAL  25           HB       VAL  25  -3.261   6.268   0.157
  193   1HG1  VAL  25          HG11      VAL  25  -1.003   6.370   2.155
  194   2HG1  VAL  25          HG12      VAL  25  -2.149   7.662   1.786
  195   3HG1  VAL  25          HG13      VAL  25  -0.978   7.147   0.564
  196   1HG2  VAL  25          HG21      VAL  25  -1.275   4.123   0.879
  197   2HG2  VAL  25          HG22      VAL  25  -1.261   5.061  -0.615
  198   3HG2  VAL  25          HG23      VAL  25  -2.609   3.978  -0.265
  199    H    ALA  26           HN       ALA  26  -3.653   2.799   1.279
  200    HA   ALA  26           HA       ALA  26  -5.986   2.745  -0.176
  201   1HB   ALA  26          HB1       ALA  26  -4.996   0.555   1.643
  202   2HB   ALA  26          HB2       ALA  26  -4.429   0.859   0.001
  203   3HB   ALA  26          HB3       ALA  26  -6.099   0.365   0.281
  204    H    PHE  27           HN       PHE  27  -5.701   2.020   3.322
  205    HA   PHE  27           HA       PHE  27  -8.483   1.794   3.770
  206   1HB   PHE  27          HB2       PHE  27  -6.304   2.620   5.700
  207   2HB   PHE  27          HB1       PHE  27  -7.941   2.182   6.162
  208    HD1  PHE  27           HD1      PHE  27  -4.900   0.995   6.550
  209    HD2  PHE  27           HD2      PHE  27  -8.478  -0.171   4.556
  210    HE1  PHE  27           HE1      PHE  27  -4.213  -1.358   6.687
  211    HE2  PHE  27           HE2      PHE  27  -7.797  -2.530   4.703
  212    HZ   PHE  27           HZ       PHE  27  -5.657  -3.118   5.853
  213    H    LYS  28           HN       LYS  28  -6.274   4.465   4.439
  214    HA   LYS  28           HA       LYS  28  -7.919   6.431   5.272
  215   1HB   LYS  28          HB2       LYS  28  -5.333   6.312   4.344
  216   2HB   LYS  28          HB1       LYS  28  -6.104   7.468   3.266
  217   1HG   LYS  28          HG2       LYS  28  -5.069   8.568   5.175
  218   2HG   LYS  28          HG1       LYS  28  -6.819   8.796   5.169
  219   1HD   LYS  28          HD2       LYS  28  -6.066   8.311   7.418
  220   2HD   LYS  28          HD1       LYS  28  -7.033   6.965   6.811
  221   1HE   LYS  28          HE2       LYS  28  -5.082   6.136   7.987
  222   2HE   LYS  28          HE1       LYS  28  -4.969   5.747   6.271
  223   1HZ   LYS  28          HZ1       LYS  28  -2.876   6.575   7.256
  224   2HZ   LYS  28          HZ2       LYS  28  -3.626   8.071   7.544
  225   3HZ   LYS  28          HZ3       LYS  28  -3.416   7.518   5.953
  226    H    GLU  29           HN       GLU  29  -7.231   5.905   1.820
  227    HA   GLU  29           HA       GLU  29  -8.875   7.980   0.926
  228   1HB   GLU  29          HB2       GLU  29  -7.017   6.789  -0.311
  229   2HB   GLU  29          HB1       GLU  29  -8.149   5.468  -0.580
  230   1HG   GLU  29          HG2       GLU  29  -9.668   7.226  -1.600
  231   2HG   GLU  29          HG1       GLU  29  -8.244   8.261  -1.606
  232    H    ARG  30           HN       ARG  30  -9.383   4.456   0.837
  233    HA   ARG  30           HA       ARG  30 -11.849   4.683  -0.534
  234   1HB   ARG  30          HB2       ARG  30 -10.187   2.741  -0.517
  235   2HB   ARG  30          HB1       ARG  30 -10.897   2.274   1.016
  236   1HG   ARG  30          HG2       ARG  30 -12.530   2.573  -1.488
  237   2HG   ARG  30          HG1       ARG  30 -11.713   1.071  -1.061
  238   1HD   ARG  30          HD2       ARG  30 -12.961   1.046   1.076
  239   2HD   ARG  30          HD1       ARG  30 -13.823   2.495   0.560
  240    HE   ARG  30           HE       ARG  30 -13.968   0.022  -1.027
  241   1HH1  ARG  30          HH11      ARG  30 -15.519   2.541   0.828
  242   2HH1  ARG  30          HH12      ARG  30 -17.127   2.071   0.378
  243   1HH2  ARG  30          HH21      ARG  30 -16.100  -0.630  -1.601
  244   2HH2  ARG  30          HH22      ARG  30 -17.463   0.260  -0.995
  245    H    TYR  31           HN       TYR  31 -11.009   4.422   2.853
  246    HA   TYR  31           HA       TYR  31 -13.766   3.745   3.470
  247   1HB   TYR  31          HB2       TYR  31 -11.219   3.542   5.005
  248   2HB   TYR  31          HB1       TYR  31 -12.777   3.490   5.835
  249    HD1  TYR  31           HD1      TYR  31 -14.553   1.892   4.477
  250    HD2  TYR  31           HD2      TYR  31 -10.319   1.527   4.511
  251    HE1  TYR  31           HE1      TYR  31 -14.757  -0.499   3.938
  252    HE2  TYR  31           HE2      TYR  31 -10.506  -0.852   3.975
  253    HH   TYR  31           HH       TYR  31 -12.018  -2.640   4.000
  254    H    ASN  32           HN       ASN  32 -11.576   6.531   3.899
  255    HA   ASN  32           HA       ASN  32 -13.801   7.961   4.972
  256   1HB   ASN  32          HB2       ASN  32 -13.012   8.263   7.239
  257   2HB   ASN  32          HB1       ASN  32 -13.173   6.544   6.876
  258   1HD2  ASN  32          HD21      ASN  32 -11.342   5.264   6.773
  259   2HD2  ASN  32          HD22      ASN  32  -9.802   5.794   7.347
  260    H    MET  33           HN       MET  33 -11.652   8.555   2.840
  261    HA   MET  33           HA       MET  33 -11.238  11.231   3.609
  262   1HB   MET  33          HB2       MET  33  -9.617  10.070   5.176
  263   2HB   MET  33          HB1       MET  33  -8.692   9.610   3.755
  264   1HG   MET  33          HG2       MET  33  -7.729  11.564   4.789
  265   2HG   MET  33          HG1       MET  33  -8.375  11.970   3.200
  266   1HE   MET  33          HE1       MET  33  -8.926  12.259   7.103
  267   2HE   MET  33          HE2       MET  33 -10.362  11.399   6.549
  268   3HE   MET  33          HE3       MET  33 -10.502  13.046   7.163
  269    HA   PRO  34           HA       PRO  34 -10.329  11.284  -0.801
  270   1HB   PRO  34          HB2       PRO  34  -9.484  14.060  -0.348
  271   2HB   PRO  34          HB1       PRO  34 -10.802  13.443  -1.347
  272   1HG   PRO  34          HG2       PRO  34 -11.253  14.786   0.941
  273   2HG   PRO  34          HG1       PRO  34 -12.310  13.471   0.397
  274   1HD   PRO  34          HD2       PRO  34 -10.155  13.432   2.477
  275   2HD   PRO  34          HD1       PRO  34 -11.766  12.679   2.507
  276    H    VAL  35           HN       VAL  35  -8.415  10.146   0.827
  277    HA   VAL  35           HA       VAL  35  -5.883  11.477   0.628
  278    HB   VAL  35           HB       VAL  35  -6.940   8.999   1.855
  279   1HG1  VAL  35          HG11      VAL  35  -5.172   8.087   0.376
  280   2HG1  VAL  35          HG12      VAL  35  -4.838   7.892   2.101
  281   3HG1  VAL  35          HG13      VAL  35  -4.008   9.150   1.174
  282   1HG2  VAL  35          HG21      VAL  35  -6.534  11.001   3.136
  283   2HG2  VAL  35          HG22      VAL  35  -4.845  11.023   2.625
  284   3HG2  VAL  35          HG23      VAL  35  -5.439   9.722   3.657
  285    H    ILE  36           HN       ILE  36  -4.948  11.725  -1.279
  286    HA   ILE  36           HA       ILE  36  -5.614   9.992  -3.455
  287    HB   ILE  36           HB       ILE  36  -3.678  12.305  -3.319
  288   1HG1  ILE  36          HG12      ILE  36  -5.989  12.980  -2.979
  289   2HG1  ILE  36          HG11      ILE  36  -5.429  13.513  -4.562
  290   1HG2  ILE  36          HG21      ILE  36  -4.581  10.639  -5.653
  291   2HG2  ILE  36          HG22      ILE  36  -2.928  10.979  -5.122
  292   3HG2  ILE  36          HG23      ILE  36  -3.911  12.259  -5.836
  293   1HD1  ILE  36          HD11      ILE  36  -7.164  11.113  -4.023
  294   2HD1  ILE  36          HD12      ILE  36  -6.610  11.660  -5.607
  295   3HD1  ILE  36          HD13      ILE  36  -7.703  12.670  -4.658
  296    H    ALA  37           HN       ALA  37  -4.807   7.979  -2.837
  297    HA   ALA  37           HA       ALA  37  -2.358   7.183  -2.067
  298   1HB   ALA  37          HB1       ALA  37  -4.220   5.673  -2.548
  299   2HB   ALA  37          HB2       ALA  37  -2.718   5.114  -3.284
  300   3HB   ALA  37          HB3       ALA  37  -3.948   5.895  -4.277
  301    H    GLU  38           HN       GLU  38  -3.174   8.129  -5.414
  302    HA   GLU  38           HA       GLU  38  -0.736   7.438  -6.598
  303   1HB   GLU  38          HB2       GLU  38  -2.607   9.707  -7.306
  304   2HB   GLU  38          HB1       GLU  38  -1.300   9.134  -8.330
  305   1HG   GLU  38          HG2       GLU  38  -2.409   6.905  -8.374
  306   2HG   GLU  38          HG1       GLU  38  -3.768   7.628  -7.513
  307    H    ALA  39           HN       ALA  39  -1.665  10.324  -4.814
  308    HA   ALA  39           HA       ALA  39   0.807  11.693  -5.505
  309   1HB   ALA  39          HB1       ALA  39  -1.353  12.516  -3.545
  310   2HB   ALA  39          HB2       ALA  39  -1.287  12.973  -5.248
  311   3HB   ALA  39          HB3       ALA  39  -0.034  13.527  -4.136
  312    H    VAL  40           HN       VAL  40  -0.476   9.876  -2.685
  313    HA   VAL  40           HA       VAL  40   1.767  10.310  -1.081
  314    HB   VAL  40           HB       VAL  40   0.075   7.827  -1.274
  315   1HG1  VAL  40          HG11      VAL  40   2.190   7.472  -0.082
  316   2HG1  VAL  40          HG12      VAL  40   0.824   7.435   1.032
  317   3HG1  VAL  40          HG13      VAL  40   1.850   8.867   0.943
  318   1HG2  VAL  40          HG21      VAL  40  -1.256   9.835  -0.886
  319   2HG2  VAL  40          HG22      VAL  40  -0.192  10.302   0.442
  320   3HG2  VAL  40          HG23      VAL  40  -1.186   8.851   0.575
  321    H    GLU  41           HN       GLU  41   1.132   8.095  -3.740
  322    HA   GLU  41           HA       GLU  41   3.540   6.684  -3.766
  323   1HB   GLU  41          HB2       GLU  41   1.653   6.125  -5.229
  324   2HB   GLU  41          HB1       GLU  41   1.860   7.637  -6.098
  325   1HG   GLU  41          HG2       GLU  41   4.139   6.839  -6.758
  326   2HG   GLU  41          HG1       GLU  41   3.718   5.276  -6.056
  327    H    ARG  42           HN       ARG  42   2.714   9.857  -5.259
  328    HA   ARG  42           HA       ARG  42   5.008  10.632  -6.334
  329   1HB   ARG  42          HB2       ARG  42   2.969  12.095  -4.803
  330   2HB   ARG  42          HB1       ARG  42   4.500  12.925  -5.022
  331   1HG   ARG  42          HG2       ARG  42   2.990  13.585  -6.753
  332   2HG   ARG  42          HG1       ARG  42   4.280  12.612  -7.459
  333   1HD   ARG  42          HD2       ARG  42   2.811  11.156  -8.255
  334   2HD   ARG  42          HD1       ARG  42   2.112  10.923  -6.657
  335    HE   ARG  42           HE       ARG  42   1.010  13.259  -7.451
  336   1HH1  ARG  42          HH11      ARG  42   1.365  10.174  -9.060
  337   2HH1  ARG  42          HH12      ARG  42  -0.167  10.274  -9.882
  338   1HH2  ARG  42          HH21      ARG  42  -1.020  13.400  -8.516
  339   2HH2  ARG  42          HH22      ARG  42  -1.526  12.104  -9.561
  340    H    GLU  43           HN       GLU  43   4.494  10.376  -2.842
  341    HA   GLU  43           HA       GLU  43   7.028  11.702  -2.300
  342   1HB   GLU  43          HB2       GLU  43   4.942  10.622  -0.404
  343   2HB   GLU  43          HB1       GLU  43   6.387  11.501   0.075
  344   1HG   GLU  43          HG2       GLU  43   5.546  13.413  -1.326
  345   2HG   GLU  43          HG1       GLU  43   4.029  12.526  -1.474
  346    H    GLN  44           HN       GLN  44   5.826   8.516  -2.632
  347    HA   GLN  44           HA       GLN  44   7.760   7.348  -0.816
  348   1HB   GLN  44          HB2       GLN  44   5.682   6.128  -2.630
  349   2HB   GLN  44          HB1       GLN  44   6.806   5.171  -1.675
  350   1HG   GLN  44          HG2       GLN  44   4.731   7.084  -0.642
  351   2HG   GLN  44          HG1       GLN  44   4.710   5.325  -0.528
  352   1HE2  GLN  44          HE21      GLN  44   6.139   4.297   0.897
  353   2HE2  GLN  44          HE22      GLN  44   6.873   5.146   2.217
  354    HA   PRO  45           HA       PRO  45  11.086   6.668  -3.616
  355   1HB   PRO  45          HB2       PRO  45  11.801   4.109  -2.807
  356   2HB   PRO  45          HB1       PRO  45  12.343   5.611  -2.050
  357   1HG   PRO  45          HG2       PRO  45  10.155   3.756  -1.231
  358   2HG   PRO  45          HG1       PRO  45  11.304   4.655  -0.224
  359   1HD   PRO  45          HD2       PRO  45   8.764   5.463  -0.508
  360   2HD   PRO  45          HD1       PRO  45  10.100   6.627  -0.387
  361    H    GLU  46           HN       GLU  46  11.040   6.150  -5.663
  362    HA   GLU  46           HA       GLU  46   9.090   4.638  -6.924
  363   1HB   GLU  46          HB2       GLU  46  10.359   6.251  -8.165
  364   2HB   GLU  46          HB1       GLU  46  11.863   5.397  -7.843
  365   1HG   GLU  46          HG2       GLU  46  11.222   3.582  -9.238
  366   2HG   GLU  46          HG1       GLU  46   9.590   4.231  -9.424
  367    H    HIS  47           HN       HIS  47  11.996   3.592  -5.393
  368    HA   HIS  47           HA       HIS  47  12.604   1.197  -6.545
  369   1HB   HIS  47          HB2       HIS  47  13.651   2.296  -4.499
  370   2HB   HIS  47          HB1       HIS  47  12.356   1.581  -3.550
  371    HD1  HIS  47           HD1      HIS  47  14.897   0.686  -2.549
  372    HD2  HIS  47           HD2      HIS  47  13.175  -1.154  -5.861
  373    HE1  HIS  47           HE1      HIS  47  16.065  -1.531  -2.781
  374    HE2  HIS  47           HE2      HIS  47  15.038  -2.621  -4.812
  375    H    LEU  48           HN       LEU  48   9.832   1.955  -4.499
  376    HA   LEU  48           HA       LEU  48   8.692  -0.666  -5.226
  377   1HB   LEU  48          HB2       LEU  48   8.349   0.827  -2.624
  378   2HB   LEU  48          HB1       LEU  48   7.323  -0.497  -3.117
  379    HG   LEU  48           HG       LEU  48   8.819  -1.424  -1.551
  380   1HD1  LEU  48          HD11      LEU  48  10.126  -3.011  -2.834
  381   2HD1  LEU  48          HD12      LEU  48  10.018  -1.999  -4.275
  382   3HD1  LEU  48          HD13      LEU  48   8.563  -2.755  -3.617
  383   1HD2  LEU  48          HD21      LEU  48  11.218  -1.071  -1.644
  384   2HD2  LEU  48          HD22      LEU  48  10.344   0.461  -1.493
  385   3HD2  LEU  48          HD23      LEU  48  11.040  -0.021  -3.052
  386    H    ARG  49           HN       ARG  49   8.351   1.720  -6.796
  387    HA   ARG  49           HA       ARG  49   5.892   2.965  -6.079
  388   1HB   ARG  49          HB2       ARG  49   7.639   3.010  -8.454
  389   2HB   ARG  49          HB1       ARG  49   5.940   3.362  -8.751
  390   1HG   ARG  49          HG2       ARG  49   6.055   5.091  -6.967
  391   2HG   ARG  49          HG1       ARG  49   7.792   4.797  -6.865
  392   1HD   ARG  49          HD2       ARG  49   7.344   6.716  -8.273
  393   2HD   ARG  49          HD1       ARG  49   8.018   5.398  -9.229
  394    HE   ARG  49           HE       ARG  49   5.428   4.987  -9.625
  395   1HH1  ARG  49          HH11      ARG  49   7.220   8.006  -9.603
  396   2HH1  ARG  49          HH12      ARG  49   6.208   8.757 -10.798
  397   1HH2  ARG  49          HH21      ARG  49   4.094   5.986 -11.181
  398   2HH2  ARG  49          HH22      ARG  49   4.418   7.616 -11.684
  399    H    SER  50           HN       SER  50   6.635   0.521  -8.551
  400    HA   SER  50           HA       SER  50   4.016  -0.193  -9.192
  401   1HB   SER  50          HB2       SER  50   5.037  -2.447  -9.775
  402   2HB   SER  50          HB1       SER  50   5.813  -1.051 -10.526
  403    HG   SER  50           HG       SER  50   7.555  -1.883  -9.680
  404    H    TRP  51           HN       TRP  51   6.082  -1.195  -6.598
  405    HA   TRP  51           HA       TRP  51   4.409  -3.193  -5.470
  406   1HB   TRP  51          HB2       TRP  51   6.640  -3.374  -4.871
  407   2HB   TRP  51          HB1       TRP  51   6.824  -1.631  -4.628
  408    HD1  TRP  51           HD1      TRP  51   5.716  -0.785  -2.052
  409    HE1  TRP  51           HE1      TRP  51   5.879  -2.120   0.128
  410    HE3  TRP  51           HE3      TRP  51   6.694  -5.346  -4.024
  411    HZ2  TRP  51           HZ2      TRP  51   6.418  -4.762   0.896
  412    HZ3  TRP  51           HZ3      TRP  51   7.048  -7.210  -2.543
  413    HH2  TRP  51           HH2      TRP  51   6.916  -6.958  -0.098
  414    H    PHE  52           HN       PHE  52   4.920   0.232  -4.591
  415    HA   PHE  52           HA       PHE  52   3.020   0.497  -2.605
  416   1HB   PHE  52          HB2       PHE  52   4.551   2.310  -3.482
  417   2HB   PHE  52          HB1       PHE  52   3.455   2.496  -4.844
  418    HD1  PHE  52           HD1      PHE  52   3.926   3.043  -1.266
  419    HD2  PHE  52           HD2      PHE  52   1.291   3.542  -4.567
  420    HE1  PHE  52           HE1      PHE  52   2.596   4.643   0.046
  421    HE2  PHE  52           HE2      PHE  52  -0.048   5.136  -3.256
  422    HZ   PHE  52           HZ       PHE  52   0.606   5.692  -0.951
  423    H    ARG  53           HN       ARG  53   2.599   0.762  -6.114
  424    HA   ARG  53           HA       ARG  53  -0.176   1.016  -6.142
  425   1HB   ARG  53          HB2       ARG  53   1.887   0.223  -8.083
  426   2HB   ARG  53          HB1       ARG  53   0.259  -0.394  -8.401
  427   1HG   ARG  53          HG2       ARG  53  -0.592   1.919  -8.259
  428   2HG   ARG  53          HG1       ARG  53   1.053   2.496  -7.996
  429   1HD   ARG  53          HD2       ARG  53   1.706   1.663 -10.193
  430   2HD   ARG  53          HD1       ARG  53   0.074   1.039 -10.450
  431    HE   ARG  53           HE       ARG  53   0.577   3.910 -10.023
  432   1HH1  ARG  53          HH11      ARG  53  -0.720   1.301 -11.956
  433   2HH1  ARG  53          HH12      ARG  53  -1.665   2.344 -12.968
  434   1HH2  ARG  53          HH21      ARG  53  -0.643   5.297 -11.366
  435   2HH2  ARG  53          HH22      ARG  53  -1.609   4.618 -12.652
  436    H    GLU  54           HN       GLU  54   1.846  -1.907  -6.241
  437    HA   GLU  54           HA       GLU  54  -0.348  -3.562  -6.768
  438   1HB   GLU  54          HB2       GLU  54   2.406  -4.203  -5.729
  439   2HB   GLU  54          HB1       GLU  54   1.197  -5.450  -6.004
  440   1HG   GLU  54          HG2       GLU  54   1.038  -4.566  -8.374
  441   2HG   GLU  54          HG1       GLU  54   2.498  -3.647  -8.014
  442    H    ARG  55           HN       ARG  55   1.124  -2.431  -3.817
  443    HA   ARG  55           HA       ARG  55  -0.341  -4.147  -2.084
  444   1HB   ARG  55          HB2       ARG  55   1.784  -2.890  -1.512
  445   2HB   ARG  55          HB1       ARG  55   0.802  -1.432  -1.420
  446   1HG   ARG  55          HG2       ARG  55   1.226  -2.452   0.775
  447   2HG   ARG  55          HG1       ARG  55  -0.491  -2.358   0.375
  448   1HD   ARG  55          HD2       ARG  55   0.051  -4.519   1.373
  449   2HD   ARG  55          HD1       ARG  55  -0.469  -4.708  -0.300
  450    HE   ARG  55           HE       ARG  55   2.358  -4.800   0.566
  451   1HH1  ARG  55          HH11      ARG  55  -0.299  -5.991  -1.377
  452   2HH1  ARG  55          HH12      ARG  55   0.681  -7.098  -2.282
  453   1HH2  ARG  55          HH21      ARG  55   3.645  -6.290  -0.575
  454   2HH2  ARG  55          HH22      ARG  55   2.940  -7.279  -1.821
  455    H    LEU  56           HN       LEU  56  -0.803  -0.890  -3.389
  456    HA   LEU  56           HA       LEU  56  -3.296  -0.309  -2.250
  457   1HB   LEU  56          HB2       LEU  56  -2.204   0.367  -4.985
  458   2HB   LEU  56          HB1       LEU  56  -3.686   1.036  -4.332
  459    HG   LEU  56           HG       LEU  56  -0.937   1.431  -3.140
  460   1HD1  LEU  56          HD11      LEU  56  -2.682   3.293  -4.755
  461   2HD1  LEU  56          HD12      LEU  56  -1.180   2.545  -5.300
  462   3HD1  LEU  56          HD13      LEU  56  -1.154   3.716  -3.981
  463   1HD2  LEU  56          HD21      LEU  56  -2.745   1.496  -1.494
  464   2HD2  LEU  56          HD22      LEU  56  -3.610   2.670  -2.484
  465   3HD2  LEU  56          HD23      LEU  56  -2.064   3.101  -1.757
  466    H    ILE  57           HN       ILE  57  -2.403  -2.128  -5.122
  467    HA   ILE  57           HA       ILE  57  -4.859  -2.639  -6.221
  468    HB   ILE  57           HB       ILE  57  -2.268  -4.145  -6.222
  469   1HG1  ILE  57          HG12      ILE  57  -3.749  -2.565  -8.333
  470   2HG1  ILE  57          HG11      ILE  57  -2.367  -1.997  -7.406
  471   1HG2  ILE  57          HG21      ILE  57  -4.042  -5.789  -6.491
  472   2HG2  ILE  57          HG22      ILE  57  -3.107  -5.576  -7.971
  473   3HG2  ILE  57          HG23      ILE  57  -4.708  -4.849  -7.827
  474   1HD1  ILE  57          HD11      ILE  57  -1.736  -2.675  -9.657
  475   2HD1  ILE  57          HD12      ILE  57  -2.352  -4.298  -9.347
  476   3HD1  ILE  57          HD13      ILE  57  -0.965  -3.693  -8.440
  477    H    ALA  58           HN       ALA  58  -3.016  -4.705  -3.979
  478    HA   ALA  58           HA       ALA  58  -5.046  -6.656  -3.739
  479   1HB   ALA  58          HB1       ALA  58  -3.714  -7.517  -1.864
  480   2HB   ALA  58          HB2       ALA  58  -2.735  -6.049  -1.899
  481   3HB   ALA  58          HB3       ALA  58  -2.716  -7.154  -3.273
  482    H    HIS  59           HN       HIS  59  -4.265  -3.807  -1.814
  483    HA   HIS  59           HA       HIS  59  -6.088  -4.412   0.292
  484   1HB   HIS  59          HB2       HIS  59  -4.467  -1.998  -0.444
  485   2HB   HIS  59          HB1       HIS  59  -5.779  -1.828   0.716
  486    HD1  HIS  59           HD1      HIS  59  -5.607  -3.537   2.830
  487    HD2  HIS  59           HD2      HIS  59  -2.129  -2.845   0.660
  488    HE1  HIS  59           HE1      HIS  59  -3.714  -4.244   4.338
  489    HE2  HIS  59           HE2      HIS  59  -1.620  -3.892   2.977
  490    H    ARG  60           HN       ARG  60  -6.243  -2.667  -2.707
  491    HA   ARG  60           HA       ARG  60  -8.760  -1.442  -2.322
  492   1HB   ARG  60          HB2       ARG  60  -7.043  -0.944  -4.161
  493   2HB   ARG  60          HB1       ARG  60  -7.639  -2.389  -4.967
  494   1HG   ARG  60          HG2       ARG  60  -8.812  -0.678  -5.993
  495   2HG   ARG  60          HG1       ARG  60  -9.953  -1.278  -4.787
  496   1HD   ARG  60          HD2       ARG  60  -9.983   1.115  -4.709
  497   2HD   ARG  60          HD1       ARG  60  -9.176   0.530  -3.255
  498    HE   ARG  60           HE       ARG  60  -7.168   0.983  -5.088
  499   1HH1  ARG  60          HH11      ARG  60  -9.679   2.886  -3.581
  500   2HH1  ARG  60          HH12      ARG  60  -8.795   4.381  -3.659
  501   1HH2  ARG  60          HH21      ARG  60  -5.978   2.932  -5.207
  502   2HH2  ARG  60          HH22      ARG  60  -6.664   4.397  -4.557
  503    H    LEU  61           HN       LEU  61  -7.749  -4.370  -4.077
  504    HA   LEU  61           HA       LEU  61 -10.296  -5.337  -4.675
  505   1HB   LEU  61          HB2       LEU  61  -7.838  -6.998  -4.114
  506   2HB   LEU  61          HB1       LEU  61  -9.247  -7.499  -5.028
  507    HG   LEU  61           HG       LEU  61  -7.223  -5.412  -5.827
  508   1HD1  LEU  61          HD11      LEU  61  -6.752  -6.950  -7.661
  509   2HD1  LEU  61          HD12      LEU  61  -7.919  -8.095  -6.999
  510   3HD1  LEU  61          HD13      LEU  61  -6.458  -7.701  -6.092
  511   1HD2  LEU  61          HD21      LEU  61  -9.459  -4.723  -6.537
  512   2HD2  LEU  61          HD22      LEU  61  -9.717  -6.302  -7.276
  513   3HD2  LEU  61          HD23      LEU  61  -8.481  -5.221  -7.919
  514    H    ALA  62           HN       ALA  62  -8.266  -5.771  -1.810
  515    HA   ALA  62           HA       ALA  62  -9.918  -7.732  -0.590
  516   1HB   ALA  62          HB1       ALA  62  -8.041  -5.786   0.748
  517   2HB   ALA  62          HB2       ALA  62  -7.571  -7.335   0.045
  518   3HB   ALA  62          HB3       ALA  62  -8.662  -7.288   1.430
  519    H    SER  63           HN       SER  63  -9.904  -4.187  -0.438
  520    HA   SER  63           HA       SER  63 -11.855  -4.209   1.715
  521   1HB   SER  63          HB2       SER  63 -11.689  -1.720   1.538
  522   2HB   SER  63          HB1       SER  63 -10.134  -2.511   1.788
  523    HG   SER  63           HG       SER  63  -9.597  -2.146  -0.304
  524    H    VAL  64           HN       VAL  64 -11.961  -4.095  -1.731
  525    HA   VAL  64           HA       VAL  64 -14.595  -2.876  -1.733
  526    HB   VAL  64           HB       VAL  64 -14.407  -2.893  -4.133
  527   1HG1  VAL  64          HG11      VAL  64 -12.483  -1.383  -4.404
  528   2HG1  VAL  64          HG12      VAL  64 -11.927  -1.862  -2.798
  529   3HG1  VAL  64          HG13      VAL  64 -13.458  -1.003  -2.983
  530   1HG2  VAL  64          HG21      VAL  64 -12.350  -3.645  -5.267
  531   2HG2  VAL  64          HG22      VAL  64 -13.242  -4.965  -4.507
  532   3HG2  VAL  64          HG23      VAL  64 -11.795  -4.316  -3.733
  533    H    ASN  65           HN       ASN  65 -13.103  -5.915  -1.624
  534    HA   ASN  65           HA       ASN  65 -15.130  -7.407  -2.974
  535   1HB   ASN  65          HB2       ASN  65 -12.961  -8.421  -2.775
  536   2HB   ASN  65          HB1       ASN  65 -12.962  -8.215  -1.028
  537   1HD2  ASN  65          HD21      ASN  65 -14.385  -9.977  -3.705
  538   2HD2  ASN  65          HD22      ASN  65 -14.959 -11.317  -2.757
  539    H    LEU  66           HN       LEU  66 -14.260  -7.471   0.516
  540    HA   LEU  66           HA       LEU  66 -16.762  -8.157   1.423
  541   1HB   LEU  66          HB2       LEU  66 -14.276  -7.138   2.541
  542   2HB   LEU  66          HB1       LEU  66 -15.694  -6.604   3.428
  543    HG   LEU  66           HG       LEU  66 -14.853  -8.603   4.450
  544   1HD1  LEU  66          HD11      LEU  66 -17.311  -8.253   4.267
  545   2HD1  LEU  66          HD12      LEU  66 -16.827  -9.945   4.440
  546   3HD1  LEU  66          HD13      LEU  66 -17.304  -9.321   2.860
  547   1HD2  LEU  66          HD21      LEU  66 -15.171  -9.913   1.756
  548   2HD2  LEU  66          HD22      LEU  66 -14.712 -10.719   3.257
  549   3HD2  LEU  66          HD23      LEU  66 -13.643  -9.515   2.539
  550    H    SER  67           HN       SER  67 -15.680  -5.193   2.800
  551    HA   SER  67           HA       SER  67 -17.634  -3.426   2.013
  552   1HB   SER  67          HB2       SER  67 -19.189  -5.274   2.573
  553   2HB   SER  67          HB1       SER  67 -18.582  -5.274   4.227
  554    HG   SER  67           HG       SER  67 -20.530  -3.792   3.170
  555    H    ARG  68           HN       ARG  68 -18.495  -2.761   4.766
  556    HA   ARG  68           HA       ARG  68 -16.414  -1.088   5.574
  557   1HB   ARG  68          HB2       ARG  68 -18.839  -2.139   7.012
  558   2HB   ARG  68          HB1       ARG  68 -17.736  -0.987   7.754
  559   1HG   ARG  68          HG2       ARG  68 -18.336   0.716   6.342
  560   2HG   ARG  68          HG1       ARG  68 -18.863  -0.382   5.068
  561   1HD   ARG  68          HD2       ARG  68 -20.722   0.821   6.176
  562   2HD   ARG  68          HD1       ARG  68 -20.852  -0.933   6.282
  563    HE   ARG  68           HE       ARG  68 -19.909  -0.638   8.610
  564   1HH1  ARG  68          HH11      ARG  68 -21.702   1.889   6.998
  565   2HH1  ARG  68          HH12      ARG  68 -22.341   2.558   8.463
  566   1HH2  ARG  68          HH21      ARG  68 -20.735   0.228  10.543
  567   2HH2  ARG  68          HH22      ARG  68 -21.785   1.618  10.497
  568    H    LEU  69           HN       LEU  69 -17.441  -4.192   7.013
  569    HA   LEU  69           HA       LEU  69 -14.828  -4.369   8.348
  570   1HB   LEU  69          HB2       LEU  69 -17.158  -4.844   9.472
  571   2HB   LEU  69          HB1       LEU  69 -17.026  -6.388   8.656
  572    HG   LEU  69           HG       LEU  69 -16.300  -6.483  11.011
  573   1HD1  LEU  69          HD11      LEU  69 -15.379  -8.085   9.446
  574   2HD1  LEU  69          HD12      LEU  69 -14.173  -7.632  10.650
  575   3HD1  LEU  69          HD13      LEU  69 -14.090  -6.958   9.021
  576   1HD2  LEU  69          HD21      LEU  69 -14.195  -5.419  11.676
  577   2HD2  LEU  69          HD22      LEU  69 -15.423  -4.231  11.234
  578   3HD2  LEU  69          HD23      LEU  69 -14.118  -4.608  10.110
  579    HA   PRO  70           HA       PRO  70 -14.130  -7.088   4.783
  580   1HB   PRO  70          HB2       PRO  70 -12.184  -5.714   3.735
  581   2HB   PRO  70          HB1       PRO  70 -13.775  -4.969   3.862
  582   1HG   PRO  70          HG2       PRO  70 -11.325  -4.429   5.441
  583   2HG   PRO  70          HG1       PRO  70 -12.683  -3.353   5.066
  584   1HD   PRO  70          HD2       PRO  70 -12.269  -5.023   7.410
  585   2HD   PRO  70          HD1       PRO  70 -13.532  -3.803   7.130
  586    H    TYR  71           HN       TYR  71 -11.914  -7.805   3.831
  587    HA   TYR  71           HA       TYR  71  -9.818  -8.494   3.846
  588   1HB   TYR  71          HB2       TYR  71  -9.895  -7.255   6.507
  589   2HB   TYR  71          HB1       TYR  71  -8.510  -8.239   6.019
  590    HD1  TYR  71           HD1      TYR  71  -6.846  -6.538   5.714
  591    HD2  TYR  71           HD2      TYR  71 -10.662  -6.224   3.864
  592    HE1  TYR  71           HE1      TYR  71  -6.002  -4.717   4.298
  593    HE2  TYR  71           HE2      TYR  71  -9.831  -4.422   2.446
  594    HH   TYR  71           HH       TYR  71  -8.098  -2.777   2.357
  595    H    GLU  72           HN       GLU  72  -9.386 -10.471   3.674
  596    HA   GLU  72           HA       GLU  72  -9.370 -12.179   5.951
  597   1HB   GLU  72          HB2       GLU  72 -10.251 -14.079   4.591
  598   2HB   GLU  72          HB1       GLU  72 -11.430 -12.819   4.913
  599   1HG   GLU  72          HG2       GLU  72 -11.193 -11.951   2.688
  600   2HG   GLU  72          HG1       GLU  72  -9.879 -13.079   2.352
  601    HA   PRO  73           HA       PRO  73  -5.632 -11.846   3.292
  602   1HB   PRO  73          HB2       PRO  73  -4.086 -11.540   5.739
  603   2HB   PRO  73          HB1       PRO  73  -4.293 -10.403   4.405
  604   1HG   PRO  73          HG2       PRO  73  -5.352 -10.004   6.879
  605   2HG   PRO  73          HG1       PRO  73  -6.081  -9.368   5.395
  606   1HD   PRO  73          HD2       PRO  73  -6.842 -11.782   6.995
  607   2HD   PRO  73          HD1       PRO  73  -7.882 -10.577   6.204
  608    H    LYS  74           HN       LYS  74  -5.620 -14.015   2.721
  609    HA   LYS  74           HA       LYS  74  -4.594 -15.967   4.562
  610   1HB   LYS  74          HB2       LYS  74  -4.807 -17.585   2.777
  611   2HB   LYS  74          HB1       LYS  74  -6.273 -16.634   2.883
  612   1HG   LYS  74          HG2       LYS  74  -4.113 -16.115   0.855
  613   2HG   LYS  74          HG1       LYS  74  -5.477 -17.191   0.567
  614   1HD   LYS  74          HD2       LYS  74  -6.947 -15.176   1.169
  615   2HD   LYS  74          HD1       LYS  74  -5.479 -14.216   0.977
  616   1HE   LYS  74          HE2       LYS  74  -6.779 -15.957  -1.111
  617   2HE   LYS  74          HE1       LYS  74  -6.741 -14.195  -1.082
  618   1HZ   LYS  74          HZ1       LYS  74  -4.412 -16.009  -1.395
  619   2HZ   LYS  74          HZ2       LYS  74  -4.303 -14.326  -1.254
  620   3HZ   LYS  74          HZ3       LYS  74  -5.083 -15.017  -2.592
  621    H    LEU  75           HN       LEU  75  -2.551 -16.245   4.978
  622    HA   LEU  75           HA       LEU  75  -0.613 -14.641   3.812
  623   1HB   LEU  75          HB2       LEU  75  -0.274 -16.974   5.675
  624   2HB   LEU  75          HB1       LEU  75   0.964 -15.791   5.305
  625    HG   LEU  75           HG       LEU  75  -1.647 -15.206   6.705
  626   1HD1  LEU  75          HD11      LEU  75   1.172 -15.376   7.758
  627   2HD1  LEU  75          HD12      LEU  75  -0.145 -16.496   8.106
  628   3HD1  LEU  75          HD13      LEU  75  -0.233 -14.828   8.673
  629   1HD2  LEU  75          HD21      LEU  75   0.727 -13.429   6.159
  630   2HD2  LEU  75          HD22      LEU  75  -0.705 -12.993   7.092
  631   3HD2  LEU  75          HD23      LEU  75  -0.843 -13.324   5.365
  632    H    LYS  76           HN       LYS  76   1.454 -15.359   2.903
  633    HA   LYS  76           HA       LYS  76   1.585 -17.984   1.719
  634   1HB   LYS  76          HB2       LYS  76   1.874 -17.074  -0.606
  635   2HB   LYS  76          HB1       LYS  76   0.238 -16.932   0.023
  636   1HG   LYS  76          HG2       LYS  76   0.573 -14.592   0.494
  637   2HG   LYS  76          HG1       LYS  76   2.266 -14.706   0.011
  638   1HD   LYS  76          HD2       LYS  76   1.483 -15.378  -2.268
  639   2HD   LYS  76          HD1       LYS  76  -0.166 -15.021  -1.744
  640   1HE   LYS  76          HE2       LYS  76   0.759 -13.123  -2.936
  641   2HE   LYS  76          HE1       LYS  76   0.508 -12.714  -1.241
  642   1HZ   LYS  76          HZ1       LYS  76   2.933 -13.303  -0.926
  643   2HZ   LYS  76          HZ2       LYS  76   2.615 -11.880  -1.783
  644   3HZ   LYS  76          HZ3       LYS  76   3.068 -13.284  -2.618
  Start of MODEL   10
    1   1H    MET   1           HT1      MET   1  18.699  -4.347 -15.907
    2   2H    MET   1           HT2      MET   1  20.227  -3.947 -16.520
    3   3H    MET   1           HT3      MET   1  18.843  -3.207 -17.157
    4    HA   MET   1           HA       MET   1  19.933  -1.660 -15.741
    5   1HB   MET   1          HB2       MET   1  17.442  -2.847 -14.502
    6   2HB   MET   1          HB1       MET   1  18.157  -1.329 -13.980
    7   1HG   MET   1          HG2       MET   1  16.354  -0.834 -15.440
    8   2HG   MET   1          HG1       MET   1  17.853  -0.465 -16.287
    9   1HE   MET   1          HE1       MET   1  15.015  -0.744 -17.714
   10   2HE   MET   1          HE2       MET   1  15.457  -1.670 -19.147
   11   3HE   MET   1          HE3       MET   1  16.504  -0.369 -18.581
   12    H    LEU   2           HN       LEU   2  19.429  -4.796 -14.233
   13    HA   LEU   2           HA       LEU   2  20.669  -4.189 -11.760
   14   1HB   LEU   2          HB2       LEU   2  19.207  -6.214 -12.475
   15   2HB   LEU   2          HB1       LEU   2  20.705  -6.900 -13.067
   16    HG   LEU   2           HG       LEU   2  20.033  -7.717 -10.815
   17   1HD1  LEU   2          HD11      LEU   2  22.224  -7.464  -9.756
   18   2HD1  LEU   2          HD12      LEU   2  22.623  -6.177 -10.894
   19   3HD1  LEU   2          HD13      LEU   2  22.368  -7.823 -11.477
   20   1HD2  LEU   2          HD21      LEU   2  20.300  -6.223  -8.896
   21   2HD2  LEU   2          HD22      LEU   2  19.021  -5.677  -9.981
   22   3HD2  LEU   2          HD23      LEU   2  20.591  -4.873  -9.993
   23    H    LYS   3           HN       LYS   3  22.668  -3.373 -11.698
   24    HA   LYS   3           HA       LYS   3  24.819  -4.814 -13.069
   25   1HB   LYS   3          HB2       LYS   3  24.366  -1.827 -13.205
   26   2HB   LYS   3          HB1       LYS   3  25.861  -2.615 -13.688
   27   1HG   LYS   3          HG2       LYS   3  24.713  -3.806 -15.443
   28   2HG   LYS   3          HG1       LYS   3  23.163  -3.143 -14.918
   29   1HD   LYS   3          HD2       LYS   3  23.888  -0.908 -15.481
   30   2HD   LYS   3          HD1       LYS   3  25.500  -1.501 -15.894
   31   1HE   LYS   3          HE2       LYS   3  22.945  -2.302 -17.286
   32   2HE   LYS   3          HE1       LYS   3  24.077  -1.087 -17.876
   33   1HZ   LYS   3          HZ1       LYS   3  24.469  -3.193 -18.957
   34   2HZ   LYS   3          HZ2       LYS   3  24.663  -3.973 -17.464
   35   3HZ   LYS   3          HZ3       LYS   3  25.792  -2.810 -17.963
   36    H    ASN   4           HN       ASN   4  26.448  -5.206 -11.764
   37    HA   ASN   4           HA       ASN   4  27.954  -5.101 -10.078
   38   1HB   ASN   4          HB2       ASN   4  28.311  -2.754 -10.655
   39   2HB   ASN   4          HB1       ASN   4  26.935  -2.281  -9.663
   40   1HD2  ASN   4          HD21      ASN   4  28.192  -0.951  -8.382
   41   2HD2  ASN   4          HD22      ASN   4  29.293  -1.586  -7.197
   42    H    LEU   5           HN       LEU   5  25.373  -3.105  -8.631
   43    HA   LEU   5           HA       LEU   5  25.357  -4.898  -6.348
   44   1HB   LEU   5          HB2       LEU   5  23.815  -3.301  -5.314
   45   2HB   LEU   5          HB1       LEU   5  25.282  -2.523  -5.863
   46    HG   LEU   5           HG       LEU   5  22.787  -2.444  -7.540
   47   1HD1  LEU   5          HD11      LEU   5  22.226  -0.314  -6.471
   48   2HD1  LEU   5          HD12      LEU   5  23.536  -0.551  -5.314
   49   3HD1  LEU   5          HD13      LEU   5  22.157  -1.650  -5.323
   50   1HD2  LEU   5          HD21      LEU   5  24.879  -1.731  -8.587
   51   2HD2  LEU   5          HD22      LEU   5  25.160  -0.595  -7.267
   52   3HD2  LEU   5          HD23      LEU   5  23.792  -0.362  -8.354
   53    H    ALA   6           HN       ALA   6  24.064  -6.558  -6.185
   54    HA   ALA   6           HA       ALA   6  22.039  -6.982  -8.212
   55   1HB   ALA   6          HB1       ALA   6  21.940  -9.250  -7.348
   56   2HB   ALA   6          HB2       ALA   6  22.964  -8.794  -5.988
   57   3HB   ALA   6          HB3       ALA   6  23.613  -8.765  -7.629
   58    H    LYS   7           HN       LYS   7  22.200  -6.406  -4.751
   59    HA   LYS   7           HA       LYS   7  19.416  -5.759  -4.628
   60   1HB   LYS   7          HB2       LYS   7  19.619  -8.349  -4.547
   61   2HB   LYS   7          HB1       LYS   7  20.249  -8.095  -2.928
   62   1HG   LYS   7          HG2       LYS   7  17.884  -8.612  -2.865
   63   2HG   LYS   7          HG1       LYS   7  18.176  -6.968  -2.295
   64   1HD   LYS   7          HD2       LYS   7  17.392  -6.022  -4.317
   65   2HD   LYS   7          HD1       LYS   7  17.421  -7.580  -5.141
   66   1HE   LYS   7          HE2       LYS   7  15.604  -6.876  -2.839
   67   2HE   LYS   7          HE1       LYS   7  15.140  -6.840  -4.540
   68   1HZ   LYS   7          HZ1       LYS   7  15.793  -9.252  -4.607
   69   2HZ   LYS   7          HZ2       LYS   7  14.413  -8.891  -3.691
   70   3HZ   LYS   7          HZ3       LYS   7  15.884  -9.205  -2.909
   71    H    LEU   8           HN       LEU   8  18.832  -4.871  -2.566
   72    HA   LEU   8           HA       LEU   8  21.147  -4.227  -0.869
   73   1HB   LEU   8          HB2       LEU   8  18.638  -2.606  -1.326
   74   2HB   LEU   8          HB1       LEU   8  19.946  -2.171  -0.242
   75    HG   LEU   8           HG       LEU   8  20.208  -2.428  -3.239
   76   1HD1  LEU   8          HD11      LEU   8  18.796  -0.534  -2.567
   77   2HD1  LEU   8          HD12      LEU   8  20.330  -0.005  -3.254
   78   3HD1  LEU   8          HD13      LEU   8  20.086   0.038  -1.509
   79   1HD2  LEU   8          HD21      LEU   8  22.277  -2.910  -2.029
   80   2HD2  LEU   8          HD22      LEU   8  22.126  -1.381  -1.162
   81   3HD2  LEU   8          HD23      LEU   8  22.383  -1.384  -2.907
   82    H    ASP   9           HN       ASP   9  20.903  -4.371   1.358
   83    HA   ASP   9           HA       ASP   9  18.898  -6.290   2.187
   84   1HB   ASP   9          HB2       ASP   9  21.103  -4.987   3.750
   85   2HB   ASP   9          HB1       ASP   9  20.104  -6.322   4.304
   86    H    GLN  10           HN       GLN  10  19.083  -2.997   2.078
   87    HA   GLN  10           HA       GLN  10  17.491  -2.717   4.471
   88   1HB   GLN  10          HB2       GLN  10  18.533  -0.596   2.575
   89   2HB   GLN  10          HB1       GLN  10  17.706  -0.281   4.093
   90   1HG   GLN  10          HG2       GLN  10  20.285  -1.808   3.912
   91   2HG   GLN  10          HG1       GLN  10  20.204  -0.061   4.132
   92   1HE2  GLN  10          HE21      GLN  10  19.500   0.777   6.064
   93   2HE2  GLN  10          HE22      GLN  10  19.365  -0.184   7.502
   94    H    THR  11           HN       THR  11  16.946  -3.612   1.420
   95    HA   THR  11           HA       THR  11  14.766  -1.777   0.796
   96    HB   THR  11           HB       THR  11  15.813  -4.144  -0.790
   97    HG1  THR  11           HG1      THR  11  16.671  -1.490  -0.522
   98   1HG2  THR  11          HG21      THR  11  14.734  -3.076  -2.707
   99   2HG2  THR  11          HG22      THR  11  14.127  -1.791  -1.664
  100   3HG2  THR  11          HG23      THR  11  13.550  -3.444  -1.453
  101    H    GLU  12           HN       GLU  12  14.946  -4.338   2.795
  102    HA   GLU  12           HA       GLU  12  12.550  -5.639   1.845
  103   1HB   GLU  12          HB2       GLU  12  14.414  -6.174   4.129
  104   2HB   GLU  12          HB1       GLU  12  12.853  -6.982   4.006
  105   1HG   GLU  12          HG2       GLU  12  13.552  -7.778   1.733
  106   2HG   GLU  12          HG1       GLU  12  15.155  -7.137   2.078
  107    H    MET  13           HN       MET  13  13.766  -3.418   4.046
  108    HA   MET  13           HA       MET  13  11.308  -2.926   5.487
  109   1HB   MET  13          HB2       MET  13  13.980  -1.494   5.378
  110   2HB   MET  13          HB1       MET  13  12.603  -0.873   6.278
  111   1HG   MET  13          HG2       MET  13  13.926  -3.533   6.747
  112   2HG   MET  13          HG1       MET  13  14.212  -2.070   7.688
  113   1HE   MET  13          HE1       MET  13  13.638  -3.207   9.957
  114   2HE   MET  13          HE2       MET  13  13.428  -4.744   9.120
  115   3HE   MET  13          HE3       MET  13  12.194  -4.177  10.246
  116    H    ASP  14           HN       ASP  14  13.181  -1.741   2.779
  117    HA   ASP  14           HA       ASP  14  11.833   0.512   2.164
  118   1HB   ASP  14          HB2       ASP  14  13.708  -1.078   0.894
  119   2HB   ASP  14          HB1       ASP  14  12.358  -1.014  -0.228
  120    H    LYS  15           HN       LYS  15  11.054  -2.705   0.660
  121    HA   LYS  15           HA       LYS  15   8.541  -2.315  -0.177
  122   1HB   LYS  15          HB2       LYS  15   9.518  -4.695   1.408
  123   2HB   LYS  15          HB1       LYS  15   8.183  -4.684   0.268
  124   1HG   LYS  15          HG2       LYS  15   9.740  -4.190  -1.551
  125   2HG   LYS  15          HG1       LYS  15  11.080  -4.215  -0.401
  126   1HD   LYS  15          HD2       LYS  15  10.560  -6.550   0.144
  127   2HD   LYS  15          HD1       LYS  15   9.235  -6.522  -1.022
  128   1HE   LYS  15          HE2       LYS  15  10.855  -6.046  -2.812
  129   2HE   LYS  15          HE1       LYS  15  12.163  -6.134  -1.633
  130   1HZ   LYS  15          HZ1       LYS  15  11.949  -8.214  -2.817
  131   2HZ   LYS  15          HZ2       LYS  15  10.318  -8.343  -2.376
  132   3HZ   LYS  15          HZ3       LYS  15  11.525  -8.442  -1.191
  133    H    VAL  16           HN       VAL  16   9.421  -3.249   3.142
  134    HA   VAL  16           HA       VAL  16   6.907  -3.421   4.251
  135    HB   VAL  16           HB       VAL  16   9.584  -2.677   5.384
  136   1HG1  VAL  16          HG11      VAL  16   7.884  -1.413   6.682
  137   2HG1  VAL  16          HG12      VAL  16   8.734  -2.641   7.619
  138   3HG1  VAL  16          HG13      VAL  16   7.090  -2.943   7.056
  139   1HG2  VAL  16          HG21      VAL  16   9.310  -4.820   6.543
  140   2HG2  VAL  16          HG22      VAL  16   9.162  -4.997   4.795
  141   3HG2  VAL  16          HG23      VAL  16   7.719  -5.007   5.806
  142    H    ASN  17           HN       ASN  17   8.832  -0.518   3.686
  143    HA   ASN  17           HA       ASN  17   7.038   1.210   5.082
  144   1HB   ASN  17          HB2       ASN  17   9.274   1.791   3.139
  145   2HB   ASN  17          HB1       ASN  17   8.340   3.041   3.953
  146   1HD2  ASN  17          HD21      ASN  17  11.168   2.503   4.118
  147   2HD2  ASN  17          HD22      ASN  17  11.510   2.205   5.784
  148    H    VAL  18           HN       VAL  18   7.539   0.429   1.613
  149    HA   VAL  18           HA       VAL  18   5.648   2.332   0.778
  150    HB   VAL  18           HB       VAL  18   6.761  -0.007  -0.709
  151   1HG1  VAL  18          HG11      VAL  18   4.628   0.770  -1.663
  152   2HG1  VAL  18          HG12      VAL  18   5.991   1.157  -2.712
  153   3HG1  VAL  18          HG13      VAL  18   5.261   2.415  -1.714
  154   1HG2  VAL  18          HG21      VAL  18   8.421   1.622   0.045
  155   2HG2  VAL  18          HG22      VAL  18   7.474   2.927  -0.668
  156   3HG2  VAL  18          HG23      VAL  18   8.209   1.706  -1.705
  157    H    ASP  19           HN       ASP  19   5.472  -0.943   1.830
  158    HA   ASP  19           HA       ASP  19   2.814  -1.509   0.976
  159   1HB   ASP  19          HB2       ASP  19   4.075  -3.405   1.512
  160   2HB   ASP  19          HB1       ASP  19   4.671  -2.705   3.012
  161    H    LEU  20           HN       LEU  20   4.195  -0.439   4.074
  162    HA   LEU  20           HA       LEU  20   1.808  -0.282   5.518
  163   1HB   LEU  20          HB2       LEU  20   4.075  -0.144   6.495
  164   2HB   LEU  20          HB1       LEU  20   4.267   1.450   5.793
  165    HG   LEU  20           HG       LEU  20   2.371   2.253   7.185
  166   1HD1  LEU  20          HD11      LEU  20   2.559  -0.490   8.423
  167   2HD1  LEU  20          HD12      LEU  20   1.203   0.148   7.493
  168   3HD1  LEU  20          HD13      LEU  20   1.614   0.860   9.052
  169   1HD2  LEU  20          HD21      LEU  20   4.687   2.546   7.919
  170   2HD2  LEU  20          HD22      LEU  20   4.628   0.981   8.730
  171   3HD2  LEU  20          HD23      LEU  20   3.600   2.301   9.285
  172    H    ALA  21           HN       ALA  21   3.485   2.191   3.602
  173    HA   ALA  21           HA       ALA  21   1.674   4.283   4.021
  174   1HB   ALA  21          HB1       ALA  21   2.630   5.267   1.997
  175   2HB   ALA  21          HB2       ALA  21   3.388   3.725   1.602
  176   3HB   ALA  21          HB3       ALA  21   3.885   4.604   3.047
  177    H    ALA  22           HN       ALA  22   1.841   1.876   1.397
  178    HA   ALA  22           HA       ALA  22  -0.420   2.785  -0.007
  179   1HB   ALA  22          HB1       ALA  22   1.279   1.292  -0.971
  180   2HB   ALA  22          HB2       ALA  22  -0.359   0.670  -1.177
  181   3HB   ALA  22          HB3       ALA  22   0.696  -0.014   0.061
  182    H    ALA  23           HN       ALA  23  -0.161   0.950   2.905
  183    HA   ALA  23           HA       ALA  23  -2.689  -0.396   2.702
  184   1HB   ALA  23          HB1       ALA  23  -0.811  -1.208   4.130
  185   2HB   ALA  23          HB2       ALA  23  -2.324  -1.002   5.014
  186   3HB   ALA  23          HB3       ALA  23  -1.045   0.205   5.162
  187    H    GLY  24           HN       GLY  24  -1.340   2.338   4.422
  188   1HA   GLY  24          HA2       GLY  24  -3.699   3.162   5.682
  189   2HA   GLY  24          HA1       GLY  24  -2.272   4.145   5.389
  190    H    VAL  25           HN       VAL  25  -2.110   4.240   2.717
  191    HA   VAL  25           HA       VAL  25  -3.948   6.240   2.007
  192    HB   VAL  25           HB       VAL  25  -2.131   4.590   0.240
  193   1HG1  VAL  25          HG11      VAL  25  -3.916   5.580  -1.080
  194   2HG1  VAL  25          HG12      VAL  25  -2.385   6.390  -1.405
  195   3HG1  VAL  25          HG13      VAL  25  -3.586   7.162  -0.370
  196   1HG2  VAL  25          HG21      VAL  25  -0.880   5.828   1.876
  197   2HG2  VAL  25          HG22      VAL  25  -1.793   7.295   1.532
  198   3HG2  VAL  25          HG23      VAL  25  -0.698   6.634   0.316
  199    H    ALA  26           HN       ALA  26  -3.963   2.747   1.428
  200    HA   ALA  26           HA       ALA  26  -5.941   2.873  -0.647
  201   1HB   ALA  26          HB1       ALA  26  -5.076   0.543   1.062
  202   2HB   ALA  26          HB2       ALA  26  -4.432   0.973  -0.522
  203   3HB   ALA  26          HB3       ALA  26  -6.106   0.442  -0.367
  204    H    PHE  27           HN       PHE  27  -5.960   2.183   2.831
  205    HA   PHE  27           HA       PHE  27  -8.719   1.644   3.003
  206   1HB   PHE  27          HB2       PHE  27  -6.757   2.619   5.081
  207   2HB   PHE  27          HB1       PHE  27  -8.424   2.196   5.450
  208    HD1  PHE  27           HD1      PHE  27  -5.525   1.012   6.208
  209    HD2  PHE  27           HD2      PHE  27  -8.765  -0.193   3.727
  210    HE1  PHE  27           HE1      PHE  27  -4.850  -1.336   6.478
  211    HE2  PHE  27           HE2      PHE  27  -8.097  -2.547   3.990
  212    HZ   PHE  27           HZ       PHE  27  -6.166  -3.127   5.377
  213    H    LYS  28           HN       LYS  28  -7.133   4.618   4.310
  214    HA   LYS  28           HA       LYS  28  -9.142   6.275   4.459
  215   1HB   LYS  28          HB2       LYS  28  -6.440   6.886   3.295
  216   2HB   LYS  28          HB1       LYS  28  -7.600   8.134   3.737
  217   1HG   LYS  28          HG2       LYS  28  -7.523   7.520   6.030
  218   2HG   LYS  28          HG1       LYS  28  -6.637   6.039   5.673
  219   1HD   LYS  28          HD2       LYS  28  -5.140   7.703   6.613
  220   2HD   LYS  28          HD1       LYS  28  -4.716   7.391   4.931
  221   1HE   LYS  28          HE2       LYS  28  -4.596   9.745   5.313
  222   2HE   LYS  28          HE1       LYS  28  -5.996   9.425   4.296
  223   1HZ   LYS  28          HZ1       LYS  28  -5.895  10.302   7.102
  224   2HZ   LYS  28          HZ2       LYS  28  -7.228   9.403   6.574
  225   3HZ   LYS  28          HZ3       LYS  28  -6.851  10.875   5.823
  226    H    GLU  29           HN       GLU  29  -7.715   5.515   1.248
  227    HA   GLU  29           HA       GLU  29  -9.207   7.476  -0.153
  228   1HB   GLU  29          HB2       GLU  29  -7.867   4.909  -0.952
  229   2HB   GLU  29          HB1       GLU  29  -8.875   5.770  -2.103
  230   1HG   GLU  29          HG2       GLU  29  -6.672   7.198  -0.684
  231   2HG   GLU  29          HG1       GLU  29  -6.311   6.157  -2.058
  232    H    ARG  30           HN       ARG  30  -9.707   3.965   0.201
  233    HA   ARG  30           HA       ARG  30 -12.123   3.931  -1.279
  234   1HB   ARG  30          HB2       ARG  30 -10.616   1.950   0.351
  235   2HB   ARG  30          HB1       ARG  30 -12.303   1.603   0.001
  236   1HG   ARG  30          HG2       ARG  30 -10.935   0.550  -1.651
  237   2HG   ARG  30          HG1       ARG  30 -11.813   1.879  -2.409
  238   1HD   ARG  30          HD2       ARG  30  -9.659   3.235  -1.814
  239   2HD   ARG  30          HD1       ARG  30  -8.919   1.634  -1.759
  240    HE   ARG  30           HE       ARG  30 -10.201   1.579  -4.126
  241   1HH1  ARG  30          HH11      ARG  30  -7.980   3.865  -2.691
  242   2HH1  ARG  30          HH12      ARG  30  -7.437   4.501  -4.212
  243   1HH2  ARG  30          HH21      ARG  30  -9.489   2.412  -6.140
  244   2HH2  ARG  30          HH22      ARG  30  -8.289   3.671  -6.176
  245    H    TYR  31           HN       TYR  31 -11.448   4.066   2.165
  246    HA   TYR  31           HA       TYR  31 -14.198   3.749   2.878
  247   1HB   TYR  31          HB2       TYR  31 -11.747   4.548   4.431
  248   2HB   TYR  31          HB1       TYR  31 -13.360   4.547   5.154
  249    HD1  TYR  31           HD1      TYR  31 -14.716   2.321   4.315
  250    HD2  TYR  31           HD2      TYR  31 -10.531   2.633   4.964
  251    HE1  TYR  31           HE1      TYR  31 -14.601  -0.098   4.619
  252    HE2  TYR  31           HE2      TYR  31 -10.395   0.196   5.280
  253    HH   TYR  31           HH       TYR  31 -13.030  -1.894   4.526
  254    H    ASN  32           HN       ASN  32 -12.396   6.254   1.553
  255    HA   ASN  32           HA       ASN  32 -13.337   8.084   0.539
  256   1HB   ASN  32          HB2       ASN  32 -15.576   6.933   0.751
  257   2HB   ASN  32          HB1       ASN  32 -15.763   7.699   2.322
  258   1HD2  ASN  32          HD21      ASN  32 -14.335   9.187  -0.532
  259   2HD2  ASN  32          HD22      ASN  32 -15.575  10.376  -0.751
  260    H    MET  33           HN       MET  33 -11.499   8.165   2.441
  261    HA   MET  33           HA       MET  33 -12.371  10.314   4.270
  262   1HB   MET  33          HB2       MET  33 -12.022   8.247   5.510
  263   2HB   MET  33          HB1       MET  33 -10.443   8.035   4.772
  264   1HG   MET  33          HG2       MET  33 -10.126   8.814   6.994
  265   2HG   MET  33          HG1       MET  33  -9.700  10.121   5.892
  266   1HE   MET  33          HE1       MET  33 -11.163  12.018   8.999
  267   2HE   MET  33          HE2       MET  33  -9.786  11.860   7.909
  268   3HE   MET  33          HE3       MET  33 -10.196  10.543   9.007
  269    HA   PRO  34           HA       PRO  34  -9.508  13.115   2.357
  270   1HB   PRO  34          HB2       PRO  34  -8.896  13.522   5.263
  271   2HB   PRO  34          HB1       PRO  34  -9.076  14.723   3.977
  272   1HG   PRO  34          HG2       PRO  34 -11.081  14.183   5.679
  273   2HG   PRO  34          HG1       PRO  34 -11.380  14.582   3.980
  274   1HD   PRO  34          HD2       PRO  34 -11.704  12.020   5.375
  275   2HD   PRO  34          HD1       PRO  34 -12.374  12.546   3.820
  276    H    VAL  35           HN       VAL  35  -8.024  11.881   1.398
  277    HA   VAL  35           HA       VAL  35  -5.443  11.672   2.691
  278    HB   VAL  35           HB       VAL  35  -6.472   9.412   3.065
  279   1HG1  VAL  35          HG11      VAL  35  -7.941   9.404   1.113
  280   2HG1  VAL  35          HG12      VAL  35  -6.946   7.948   1.220
  281   3HG1  VAL  35          HG13      VAL  35  -6.535   9.222   0.064
  282   1HG2  VAL  35          HG21      VAL  35  -4.044   9.599   2.794
  283   2HG2  VAL  35          HG22      VAL  35  -4.217   9.393   1.051
  284   3HG2  VAL  35          HG23      VAL  35  -4.650   8.077   2.141
  285    H    ILE  36           HN       ILE  36  -3.740  11.144   0.833
  286    HA   ILE  36           HA       ILE  36  -4.809  12.134  -1.670
  287    HB   ILE  36           HB       ILE  36  -2.310  13.263  -0.368
  288   1HG1  ILE  36          HG12      ILE  36  -4.880  14.681  -1.085
  289   2HG1  ILE  36          HG11      ILE  36  -4.504  14.116   0.541
  290   1HG2  ILE  36          HG21      ILE  36  -2.279  14.770  -2.333
  291   2HG2  ILE  36          HG22      ILE  36  -3.603  13.838  -3.034
  292   3HG2  ILE  36          HG23      ILE  36  -2.030  13.078  -2.762
  293   1HD1  ILE  36          HD11      ILE  36  -2.566  15.592   0.601
  294   2HD1  ILE  36          HD12      ILE  36  -4.050  16.493   0.290
  295   3HD1  ILE  36          HD13      ILE  36  -2.932  16.147  -1.032
  296    H    ALA  37           HN       ALA  37  -4.622   9.937  -2.274
  297    HA   ALA  37           HA       ALA  37  -2.689   8.145  -2.103
  298   1HB   ALA  37          HB1       ALA  37  -3.323   7.244  -4.244
  299   2HB   ALA  37          HB2       ALA  37  -4.017   8.794  -4.724
  300   3HB   ALA  37          HB3       ALA  37  -4.747   7.868  -3.412
  301    H    GLU  38           HN       GLU  38  -2.455  10.877  -4.399
  302    HA   GLU  38           HA       GLU  38  -0.083   9.826  -5.592
  303   1HB   GLU  38          HB2       GLU  38  -1.447  12.502  -5.778
  304   2HB   GLU  38          HB1       GLU  38   0.064  12.153  -6.605
  305   1HG   GLU  38          HG2       GLU  38  -1.139  10.196  -7.673
  306   2HG   GLU  38          HG1       GLU  38  -2.626  10.903  -7.042
  307    H    ALA  39           HN       ALA  39  -0.743  11.921  -2.889
  308    HA   ALA  39           HA       ALA  39   1.894  13.113  -2.973
  309   1HB   ALA  39          HB1       ALA  39   1.273  14.280  -0.928
  310   2HB   ALA  39          HB2       ALA  39  -0.185  13.298  -0.790
  311   3HB   ALA  39          HB3       ALA  39  -0.003  14.421  -2.136
  312    H    VAL  40           HN       VAL  40   0.280  10.620  -0.977
  313    HA   VAL  40           HA       VAL  40   2.571   9.972   0.511
  314    HB   VAL  40           HB       VAL  40   0.409   8.090  -0.390
  315   1HG1  VAL  40          HG11      VAL  40   1.049   6.821   1.613
  316   2HG1  VAL  40          HG12      VAL  40   2.348   7.973   1.920
  317   3HG1  VAL  40          HG13      VAL  40   2.387   6.964   0.475
  318   1HG2  VAL  40          HG21      VAL  40  -0.534  10.043   0.720
  319   2HG2  VAL  40          HG22      VAL  40   0.584   9.835   2.068
  320   3HG2  VAL  40          HG23      VAL  40  -0.659   8.623   1.758
  321    H    GLU  41           HN       GLU  41   1.395   9.011  -2.636
  322    HA   GLU  41           HA       GLU  41   3.495   7.274  -3.369
  323   1HB   GLU  41          HB2       GLU  41   1.450   7.233  -4.587
  324   2HB   GLU  41          HB1       GLU  41   1.516   8.959  -4.895
  325   1HG   GLU  41          HG2       GLU  41   3.468   8.574  -6.362
  326   2HG   GLU  41          HG1       GLU  41   3.261   6.838  -6.113
  327    H    ARG  42           HN       ARG  42   3.337  10.708  -3.045
  328    HA   ARG  42           HA       ARG  42   5.387  11.353  -4.900
  329   1HB   ARG  42          HB2       ARG  42   3.672  12.805  -3.084
  330   2HB   ARG  42          HB1       ARG  42   5.319  13.426  -3.056
  331   1HG   ARG  42          HG2       ARG  42   3.797  14.534  -4.706
  332   2HG   ARG  42          HG1       ARG  42   5.281  13.872  -5.395
  333   1HD   ARG  42          HD2       ARG  42   4.070  11.900  -6.143
  334   2HD   ARG  42          HD1       ARG  42   2.593  12.515  -5.407
  335    HE   ARG  42           HE       ARG  42   3.538  14.424  -7.241
  336   1HH1  ARG  42          HH11      ARG  42   2.204  11.176  -7.234
  337   2HH1  ARG  42          HH12      ARG  42   1.393  11.369  -8.753
  338   1HH2  ARG  42          HH21      ARG  42   2.509  14.662  -9.255
  339   2HH2  ARG  42          HH22      ARG  42   1.588  13.346  -9.920
  340    H    GLU  43           HN       GLU  43   5.349  10.210  -1.667
  341    HA   GLU  43           HA       GLU  43   8.112  11.053  -1.181
  342   1HB   GLU  43          HB2       GLU  43   6.218   9.536   0.623
  343   2HB   GLU  43          HB1       GLU  43   7.799  10.148   1.080
  344   1HG   GLU  43          HG2       GLU  43   5.396  11.788   0.315
  345   2HG   GLU  43          HG1       GLU  43   6.059  11.578   1.935
  346    H    GLN  44           HN       GLN  44   6.732   8.035  -0.083
  347    HA   GLN  44           HA       GLN  44   8.459   6.156  -0.623
  348   1HB   GLN  44          HB2       GLN  44   5.676   5.783  -1.733
  349   2HB   GLN  44          HB1       GLN  44   6.760   4.539  -1.126
  350   1HG   GLN  44          HG2       GLN  44   5.331   6.659   0.452
  351   2HG   GLN  44          HG1       GLN  44   5.073   4.919   0.503
  352   1HE2  GLN  44          HE21      GLN  44   7.947   4.313   0.501
  353   2HE2  GLN  44          HE22      GLN  44   8.525   4.729   2.079
  354    HA   PRO  45           HA       PRO  45   9.704   7.315  -4.647
  355   1HB   PRO  45          HB2       PRO  45  12.061   6.056  -4.694
  356   2HB   PRO  45          HB1       PRO  45  11.760   7.423  -3.611
  357   1HG   PRO  45          HG2       PRO  45  11.753   4.490  -3.016
  358   2HG   PRO  45          HG1       PRO  45  12.415   5.824  -2.055
  359   1HD   PRO  45          HD2       PRO  45   9.974   4.634  -1.599
  360   2HD   PRO  45          HD1       PRO  45  10.396   6.280  -1.090
  361    H    GLU  46           HN       GLU  46  11.149   6.048  -6.401
  362    HA   GLU  46           HA       GLU  46   9.328   4.381  -7.759
  363   1HB   GLU  46          HB2       GLU  46  10.827   5.859  -8.942
  364   2HB   GLU  46          HB1       GLU  46  12.227   5.039  -8.268
  365   1HG   GLU  46          HG2       GLU  46  11.624   3.011  -9.485
  366   2HG   GLU  46          HG1       GLU  46  10.234   3.853 -10.182
  367    H    HIS  47           HN       HIS  47  11.869   3.734  -5.537
  368    HA   HIS  47           HA       HIS  47  12.840   1.284  -6.291
  369   1HB   HIS  47          HB2       HIS  47  13.285   2.817  -4.172
  370   2HB   HIS  47          HB1       HIS  47  12.180   1.682  -3.404
  371    HD1  HIS  47           HD1      HIS  47  15.272   1.972  -2.754
  372    HD2  HIS  47           HD2      HIS  47  13.508  -0.948  -5.123
  373    HE1  HIS  47           HE1      HIS  47  16.911   0.068  -2.816
  374    HE2  HIS  47           HE2      HIS  47  15.945  -1.540  -4.493
  375    H    LEU  48           HN       LEU  48   9.824   1.962  -4.566
  376    HA   LEU  48           HA       LEU  48   8.968  -0.792  -5.185
  377   1HB   LEU  48          HB2       LEU  48   8.115   1.038  -2.944
  378   2HB   LEU  48          HB1       LEU  48   7.175  -0.355  -3.419
  379    HG   LEU  48           HG       LEU  48   8.367  -1.014  -1.480
  380   1HD1  LEU  48          HD11      LEU  48   9.807  -2.797  -2.293
  381   2HD1  LEU  48          HD12      LEU  48   9.966  -2.012  -3.865
  382   3HD1  LEU  48          HD13      LEU  48   8.399  -2.646  -3.351
  383   1HD2  LEU  48          HD21      LEU  48   9.967   0.801  -1.426
  384   2HD2  LEU  48          HD22      LEU  48  10.834   0.142  -2.821
  385   3HD2  LEU  48          HD23      LEU  48  10.814  -0.743  -1.294
  386    H    ARG  49           HN       ARG  49   8.861   1.219  -7.145
  387    HA   ARG  49           HA       ARG  49   6.447   2.659  -7.228
  388   1HB   ARG  49          HB2       ARG  49   8.405   3.027  -8.728
  389   2HB   ARG  49          HB1       ARG  49   7.992   1.545  -9.579
  390   1HG   ARG  49          HG2       ARG  49   7.196   3.469 -10.799
  391   2HG   ARG  49          HG1       ARG  49   5.832   2.516 -10.204
  392   1HD   ARG  49          HD2       ARG  49   5.748   4.078  -8.233
  393   2HD   ARG  49          HD1       ARG  49   6.915   5.091  -9.083
  394    HE   ARG  49           HE       ARG  49   5.117   5.061 -10.931
  395   1HH1  ARG  49          HH11      ARG  49   4.510   5.025  -7.485
  396   2HH1  ARG  49          HH12      ARG  49   2.956   5.804  -7.621
  397   1HH2  ARG  49          HH21      ARG  49   3.059   6.100 -11.099
  398   2HH2  ARG  49          HH22      ARG  49   2.149   6.421  -9.651
  399    H    SER  50           HN       SER  50   7.274  -0.354  -8.851
  400    HA   SER  50           HA       SER  50   4.654  -0.977  -9.722
  401   1HB   SER  50          HB2       SER  50   6.933  -2.892  -9.165
  402   2HB   SER  50          HB1       SER  50   5.518  -3.219 -10.167
  403    HG   SER  50           HG       SER  50   7.701  -2.350 -11.081
  404    H    TRP  51           HN       TRP  51   6.466  -1.783  -6.871
  405    HA   TRP  51           HA       TRP  51   4.596  -3.518  -5.675
  406   1HB   TRP  51          HB2       TRP  51   6.763  -3.672  -4.850
  407   2HB   TRP  51          HB1       TRP  51   6.963  -1.915  -4.758
  408    HD1  TRP  51           HD1      TRP  51   5.552  -0.805  -2.423
  409    HE1  TRP  51           HE1      TRP  51   5.445  -1.918  -0.122
  410    HE3  TRP  51           HE3      TRP  51   6.707  -5.538  -3.806
  411    HZ2  TRP  51           HZ2      TRP  51   5.866  -4.442   0.958
  412    HZ3  TRP  51           HZ3      TRP  51   6.864  -7.242  -2.110
  413    HH2  TRP  51           HH2      TRP  51   6.447  -6.741   0.264
  414    H    PHE  52           HN       PHE  52   5.044   0.030  -5.266
  415    HA   PHE  52           HA       PHE  52   3.006   0.397  -3.417
  416   1HB   PHE  52          HB2       PHE  52   4.586   2.181  -4.336
  417   2HB   PHE  52          HB1       PHE  52   3.505   2.288  -5.724
  418    HD1  PHE  52           HD1      PHE  52   3.679   2.720  -2.047
  419    HD2  PHE  52           HD2      PHE  52   1.521   3.537  -5.621
  420    HE1  PHE  52           HE1      PHE  52   2.259   4.316  -0.826
  421    HE2  PHE  52           HE2      PHE  52   0.102   5.137  -4.409
  422    HZ   PHE  52           HZ       PHE  52   0.465   5.488  -1.961
  423    H    ARG  53           HN       ARG  53   2.840   0.328  -6.964
  424    HA   ARG  53           HA       ARG  53   0.088   0.449  -7.307
  425   1HB   ARG  53          HB2       ARG  53   2.298  -0.868  -8.796
  426   2HB   ARG  53          HB1       ARG  53   0.658  -1.407  -9.152
  427   1HG   ARG  53          HG2       ARG  53   0.053   0.927  -9.686
  428   2HG   ARG  53          HG1       ARG  53   1.716   1.418  -9.363
  429   1HD   ARG  53          HD2       ARG  53   0.837  -0.545 -11.479
  430   2HD   ARG  53          HD1       ARG  53   1.290   1.134 -11.762
  431    HE   ARG  53           HE       ARG  53   3.350  -0.343 -10.445
  432   1HH1  ARG  53          HH11      ARG  53   1.926   0.319 -13.585
  433   2HH1  ARG  53          HH12      ARG  53   3.387  -0.032 -14.456
  434   1HH2  ARG  53          HH21      ARG  53   5.288  -0.817 -11.623
  435   2HH2  ARG  53          HH22      ARG  53   5.288  -0.648 -13.352
  436    H    GLU  54           HN       GLU  54   2.067  -2.477  -6.888
  437    HA   GLU  54           HA       GLU  54  -0.148  -4.179  -7.099
  438   1HB   GLU  54          HB2       GLU  54   2.608  -4.747  -6.015
  439   2HB   GLU  54          HB1       GLU  54   1.414  -5.973  -6.417
  440   1HG   GLU  54          HG2       GLU  54   1.450  -5.188  -8.755
  441   2HG   GLU  54          HG1       GLU  54   2.723  -4.044  -8.314
  442    H    ARG  55           HN       ARG  55   1.341  -2.593  -4.427
  443    HA   ARG  55           HA       ARG  55   0.095  -4.268  -2.457
  444   1HB   ARG  55          HB2       ARG  55   2.322  -3.054  -2.213
  445   2HB   ARG  55          HB1       ARG  55   1.377  -1.585  -1.991
  446   1HG   ARG  55          HG2       ARG  55   2.137  -2.783   0.092
  447   2HG   ARG  55          HG1       ARG  55   0.427  -2.361  -0.008
  448   1HD   ARG  55          HD2       ARG  55   0.797  -4.641   0.858
  449   2HD   ARG  55          HD1       ARG  55  -0.145  -4.619  -0.628
  450    HE   ARG  55           HE       ARG  55   1.782  -5.448  -1.800
  451   1HH1  ARG  55          HH11      ARG  55   2.118  -5.346   1.677
  452   2HH1  ARG  55          HH12      ARG  55   3.291  -6.628   1.733
  453   1HH2  ARG  55          HH21      ARG  55   3.308  -7.124  -1.756
  454   2HH2  ARG  55          HH22      ARG  55   3.985  -7.645  -0.238
  455    H    LEU  56           HN       LEU  56  -0.437  -1.083  -3.915
  456    HA   LEU  56           HA       LEU  56  -2.815  -0.446  -2.579
  457   1HB   LEU  56          HB2       LEU  56  -2.057  -0.019  -5.475
  458   2HB   LEU  56          HB1       LEU  56  -3.492   0.660  -4.737
  459    HG   LEU  56           HG       LEU  56  -0.625   1.323  -4.044
  460   1HD1  LEU  56          HD11      LEU  56  -2.838   2.922  -5.334
  461   2HD1  LEU  56          HD12      LEU  56  -1.378   2.321  -6.121
  462   3HD1  LEU  56          HD13      LEU  56  -1.260   3.556  -4.867
  463   1HD2  LEU  56          HD21      LEU  56  -2.016   1.339  -2.036
  464   2HD2  LEU  56          HD22      LEU  56  -3.199   2.362  -2.848
  465   3HD2  LEU  56          HD23      LEU  56  -1.583   2.982  -2.508
  466    H    ILE  57           HN       ILE  57  -2.156  -2.502  -5.380
  467    HA   ILE  57           HA       ILE  57  -4.637  -3.342  -6.099
  468    HB   ILE  57           HB       ILE  57  -2.009  -4.784  -6.005
  469   1HG1  ILE  57          HG12      ILE  57  -2.173  -2.841  -7.495
  470   2HG1  ILE  57          HG11      ILE  57  -1.992  -4.335  -8.403
  471   1HG2  ILE  57          HG21      ILE  57  -2.904  -6.467  -7.469
  472   2HG2  ILE  57          HG22      ILE  57  -4.504  -5.728  -7.378
  473   3HG2  ILE  57          HG23      ILE  57  -3.779  -6.447  -5.940
  474   1HD1  ILE  57          HD11      ILE  57  -4.582  -2.880  -7.946
  475   2HD1  ILE  57          HD12      ILE  57  -4.360  -4.337  -8.914
  476   3HD1  ILE  57          HD13      ILE  57  -3.614  -2.821  -9.419
  477    H    ALA  58           HN       ALA  58  -2.522  -4.951  -3.725
  478    HA   ALA  58           HA       ALA  58  -4.411  -6.907  -2.978
  479   1HB   ALA  58          HB1       ALA  58  -2.010  -5.923  -1.442
  480   2HB   ALA  58          HB2       ALA  58  -2.005  -7.184  -2.674
  481   3HB   ALA  58          HB3       ALA  58  -2.876  -7.434  -1.163
  482    H    HIS  59           HN       HIS  59  -3.667  -3.738  -1.577
  483    HA   HIS  59           HA       HIS  59  -5.244  -4.242   0.768
  484   1HB   HIS  59          HB2       HIS  59  -3.842  -1.770  -0.232
  485   2HB   HIS  59          HB1       HIS  59  -4.851  -1.763   1.208
  486    HD1  HIS  59           HD1      HIS  59  -4.017  -4.066   2.825
  487    HD2  HIS  59           HD2      HIS  59  -1.259  -1.936   0.545
  488    HE1  HIS  59           HE1      HIS  59  -1.773  -4.538   3.852
  489    HE2  HIS  59           HE2      HIS  59  -0.101  -3.319   2.410
  490    H    ARG  60           HN       ARG  60  -5.760  -2.753  -2.347
  491    HA   ARG  60           HA       ARG  60  -8.294  -1.626  -1.666
  492   1HB   ARG  60          HB2       ARG  60  -7.186  -2.426  -4.366
  493   2HB   ARG  60          HB1       ARG  60  -8.703  -1.570  -4.129
  494   1HG   ARG  60          HG2       ARG  60  -7.372   0.235  -2.982
  495   2HG   ARG  60          HG1       ARG  60  -5.921  -0.592  -3.549
  496   1HD   ARG  60          HD2       ARG  60  -8.096   0.684  -5.181
  497   2HD   ARG  60          HD1       ARG  60  -6.388   1.108  -5.124
  498    HE   ARG  60           HE       ARG  60  -7.046  -1.552  -6.108
  499   1HH1  ARG  60          HH11      ARG  60  -6.123   1.746  -6.789
  500   2HH1  ARG  60          HH12      ARG  60  -5.719   1.435  -8.454
  501   1HH2  ARG  60          HH21      ARG  60  -6.515  -1.985  -8.312
  502   2HH2  ARG  60          HH22      ARG  60  -5.914  -0.689  -9.306
  503    H    LEU  61           HN       LEU  61  -7.170  -4.707  -2.980
  504    HA   LEU  61           HA       LEU  61  -9.672  -5.948  -3.248
  505   1HB   LEU  61          HB2       LEU  61  -6.998  -7.132  -2.493
  506   2HB   LEU  61          HB1       LEU  61  -8.416  -8.081  -2.886
  507    HG   LEU  61           HG       LEU  61  -6.975  -6.207  -4.765
  508   1HD1  LEU  61          HD11      LEU  61  -7.092  -9.218  -4.659
  509   2HD1  LEU  61          HD12      LEU  61  -5.691  -8.209  -4.293
  510   3HD1  LEU  61          HD13      LEU  61  -6.334  -8.264  -5.934
  511   1HD2  LEU  61          HD21      LEU  61  -9.326  -8.039  -5.233
  512   2HD2  LEU  61          HD22      LEU  61  -8.457  -7.151  -6.483
  513   3HD2  LEU  61          HD23      LEU  61  -9.355  -6.277  -5.243
  514    H    ALA  62           HN       ALA  62  -7.578  -5.405  -0.474
  515    HA   ALA  62           HA       ALA  62  -9.118  -6.878   1.390
  516   1HB   ALA  62          HB1       ALA  62  -7.957  -5.596   3.103
  517   2HB   ALA  62          HB2       ALA  62  -7.387  -4.457   1.883
  518   3HB   ALA  62          HB3       ALA  62  -6.834  -6.131   1.856
  519    H    SER  63           HN       SER  63  -9.183  -3.428   0.481
  520    HA   SER  63           HA       SER  63 -11.244  -2.763   2.315
  521   1HB   SER  63          HB2       SER  63 -11.373  -0.634   0.925
  522   2HB   SER  63          HB1       SER  63  -9.790  -1.021   1.594
  523    HG   SER  63           HG       SER  63 -10.247  -2.112  -0.885
  524    H    VAL  64           HN       VAL  64 -11.311  -4.011  -0.935
  525    HA   VAL  64           HA       VAL  64 -14.070  -3.213  -1.359
  526    HB   VAL  64           HB       VAL  64 -12.328  -3.206  -3.189
  527   1HG1  VAL  64          HG11      VAL  64 -11.895  -5.293  -4.361
  528   2HG1  VAL  64          HG12      VAL  64 -12.800  -6.177  -3.133
  529   3HG1  VAL  64          HG13      VAL  64 -11.300  -5.357  -2.701
  530   1HG2  VAL  64          HG21      VAL  64 -14.871  -4.749  -3.680
  531   2HG2  VAL  64          HG22      VAL  64 -13.897  -3.956  -4.918
  532   3HG2  VAL  64          HG23      VAL  64 -14.698  -2.994  -3.673
  533    H    ASN  65           HN       ASN  65 -12.584  -5.751   0.213
  534    HA   ASN  65           HA       ASN  65 -14.837  -7.554  -0.354
  535   1HB   ASN  65          HB2       ASN  65 -11.918  -8.203  -0.129
  536   2HB   ASN  65          HB1       ASN  65 -13.110  -9.401   0.367
  537   1HD2  ASN  65          HD21      ASN  65 -14.506 -10.275  -1.197
  538   2HD2  ASN  65          HD22      ASN  65 -14.150 -10.181  -2.885
  539    H    LEU  66           HN       LEU  66 -14.405  -5.484   1.658
  540    HA   LEU  66           HA       LEU  66 -14.956  -7.072   4.038
  541   1HB   LEU  66          HB2       LEU  66 -12.436  -6.065   3.772
  542   2HB   LEU  66          HB1       LEU  66 -13.273  -4.693   4.491
  543    HG   LEU  66           HG       LEU  66 -14.075  -6.442   6.244
  544   1HD1  LEU  66          HD11      LEU  66 -12.461  -8.202   6.677
  545   2HD1  LEU  66          HD12      LEU  66 -11.557  -7.747   5.232
  546   3HD1  LEU  66          HD13      LEU  66 -13.188  -8.400   5.084
  547   1HD2  LEU  66          HD21      LEU  66 -12.128  -5.893   7.611
  548   2HD2  LEU  66          HD22      LEU  66 -12.693  -4.490   6.696
  549   3HD2  LEU  66          HD23      LEU  66 -11.258  -5.373   6.167
  550    H    SER  67           HN       SER  67 -15.398  -5.315   5.859
  551    HA   SER  67           HA       SER  67 -16.585  -3.615   6.654
  552   1HB   SER  67          HB2       SER  67 -16.144  -1.392   5.622
  553   2HB   SER  67          HB1       SER  67 -14.692  -2.347   5.939
  554    HG   SER  67           HG       SER  67 -15.672  -2.836   3.455
  555    H    ARG  68           HN       ARG  68 -18.046  -5.386   4.983
  556    HA   ARG  68           HA       ARG  68 -20.079  -5.646   4.003
  557   1HB   ARG  68          HB2       ARG  68 -20.553  -2.710   4.558
  558   2HB   ARG  68          HB1       ARG  68 -21.772  -3.929   4.217
  559   1HG   ARG  68          HG2       ARG  68 -21.575  -4.890   6.322
  560   2HG   ARG  68          HG1       ARG  68 -19.992  -4.159   6.611
  561   1HD   ARG  68          HD2       ARG  68 -22.606  -2.667   6.404
  562   2HD   ARG  68          HD1       ARG  68 -21.768  -3.059   7.905
  563    HE   ARG  68           HE       ARG  68 -20.023  -1.652   6.198
  564   1HH1  ARG  68          HH11      ARG  68 -22.903  -1.123   8.120
  565   2HH1  ARG  68          HH12      ARG  68 -22.516   0.541   8.470
  566   1HH2  ARG  68          HH21      ARG  68 -19.533   0.549   6.636
  567   2HH2  ARG  68          HH22      ARG  68 -20.616   1.484   7.613
  568    H    LEU  69           HN       LEU  69 -20.657  -2.531   2.928
  569    HA   LEU  69           HA       LEU  69 -19.095  -2.817   0.462
  570   1HB   LEU  69          HB2       LEU  69 -22.026  -2.127   0.688
  571   2HB   LEU  69          HB1       LEU  69 -21.070  -1.671  -0.704
  572    HG   LEU  69           HG       LEU  69 -22.222  -3.605  -1.353
  573   1HD1  LEU  69          HD11      LEU  69 -19.489  -4.517  -0.482
  574   2HD1  LEU  69          HD12      LEU  69 -19.866  -3.643  -1.967
  575   3HD1  LEU  69          HD13      LEU  69 -20.494  -5.271  -1.719
  576   1HD2  LEU  69          HD21      LEU  69 -23.003  -4.353   0.816
  577   2HD2  LEU  69          HD22      LEU  69 -21.376  -4.888   1.240
  578   3HD2  LEU  69          HD23      LEU  69 -22.256  -5.689  -0.061
  579    HA   PRO  70           HA       PRO  70 -18.262   1.179   2.436
  580   1HB   PRO  70          HB2       PRO  70 -15.765   1.511   1.495
  581   2HB   PRO  70          HB1       PRO  70 -16.126   0.439   2.854
  582   1HG   PRO  70          HG2       PRO  70 -15.674  -0.231  -0.027
  583   2HG   PRO  70          HG1       PRO  70 -15.101  -1.073   1.423
  584   1HD   PRO  70          HD2       PRO  70 -17.257  -1.886  -0.047
  585   2HD   PRO  70          HD1       PRO  70 -17.069  -2.220   1.686
  586    H    TYR  71           HN       TYR  71 -19.589   0.789  -0.176
  587    HA   TYR  71           HA       TYR  71 -18.490   3.114  -1.583
  588   1HB   TYR  71          HB2       TYR  71 -19.126   0.411  -2.621
  589   2HB   TYR  71          HB1       TYR  71 -19.346   1.812  -3.670
  590    HD1  TYR  71           HD1      TYR  71 -16.787   1.435  -1.028
  591    HD2  TYR  71           HD2      TYR  71 -17.631   1.496  -5.213
  592    HE1  TYR  71           HE1      TYR  71 -14.381   1.388  -1.507
  593    HE2  TYR  71           HE2      TYR  71 -15.243   1.441  -5.680
  594    HH   TYR  71           HH       TYR  71 -13.096   2.111  -4.498
  595    H    GLU  72           HN       GLU  72 -20.865   1.838  -3.411
  596    HA   GLU  72           HA       GLU  72 -22.999   3.340  -2.222
  597   1HB   GLU  72          HB2       GLU  72 -22.102   3.580  -5.098
  598   2HB   GLU  72          HB1       GLU  72 -23.576   4.284  -4.451
  599   1HG   GLU  72          HG2       GLU  72 -20.847   4.985  -3.416
  600   2HG   GLU  72          HG1       GLU  72 -21.616   5.838  -4.751
  601    HA   PRO  73           HA       PRO  73 -23.742  -1.000  -3.295
  602   1HB   PRO  73          HB2       PRO  73 -25.959  -0.768  -1.349
  603   2HB   PRO  73          HB1       PRO  73 -24.615  -1.914  -1.398
  604   1HG   PRO  73          HG2       PRO  73 -24.685   0.057   0.408
  605   2HG   PRO  73          HG1       PRO  73 -23.162  -0.465  -0.339
  606   1HD   PRO  73          HD2       PRO  73 -24.855   1.932  -0.960
  607   2HD   PRO  73          HD1       PRO  73 -23.085   1.800  -0.847
  608    H    LYS  74           HN       LYS  74 -26.372   1.381  -2.976
  609    HA   LYS  74           HA       LYS  74 -27.969  -0.191  -4.860
  610   1HB   LYS  74          HB2       LYS  74 -28.678   2.195  -3.152
  611   2HB   LYS  74          HB1       LYS  74 -29.766   1.502  -4.343
  612   1HG   LYS  74          HG2       LYS  74 -30.441   0.596  -2.299
  613   2HG   LYS  74          HG1       LYS  74 -29.515  -0.688  -3.077
  614   1HD   LYS  74          HD2       LYS  74 -27.571  -0.122  -1.730
  615   2HD   LYS  74          HD1       LYS  74 -28.454   1.209  -0.982
  616   1HE   LYS  74          HE2       LYS  74 -29.129  -1.723  -0.776
  617   2HE   LYS  74          HE1       LYS  74 -28.395  -0.734   0.482
  618   1HZ   LYS  74          HZ1       LYS  74 -30.472   0.691   0.286
  619   2HZ   LYS  74          HZ2       LYS  74 -30.642  -0.825   1.025
  620   3HZ   LYS  74          HZ3       LYS  74 -31.153  -0.603  -0.577
  621    H    LEU  75           HN       LEU  75 -26.203   2.786  -4.640
  622    HA   LEU  75           HA       LEU  75 -27.338   4.142  -6.750
  623   1HB   LEU  75          HB2       LEU  75 -24.628   4.357  -5.491
  624   2HB   LEU  75          HB1       LEU  75 -25.133   5.394  -6.810
  625    HG   LEU  75           HG       LEU  75 -25.438   6.610  -4.788
  626   1HD1  LEU  75          HD11      LEU  75 -27.186   6.916  -6.441
  627   2HD1  LEU  75          HD12      LEU  75 -27.842   7.061  -4.812
  628   3HD1  LEU  75          HD13      LEU  75 -28.109   5.586  -5.739
  629   1HD2  LEU  75          HD21      LEU  75 -25.449   4.790  -3.191
  630   2HD2  LEU  75          HD22      LEU  75 -27.030   4.260  -3.768
  631   3HD2  LEU  75          HD23      LEU  75 -26.863   5.815  -2.952
  632    H    LYS  76           HN       LYS  76 -27.014   4.171  -8.888
  633    HA   LYS  76           HA       LYS  76 -24.918   2.431 -10.006
  634   1HB   LYS  76          HB2       LYS  76 -27.767   2.757 -10.966
  635   2HB   LYS  76          HB1       LYS  76 -26.507   1.953 -11.891
  636   1HG   LYS  76          HG2       LYS  76 -26.279   0.268 -10.160
  637   2HG   LYS  76          HG1       LYS  76 -27.494   1.090  -9.178
  638   1HD   LYS  76          HD2       LYS  76 -28.481  -0.797 -10.357
  639   2HD   LYS  76          HD1       LYS  76 -29.159   0.722 -10.942
  640   1HE   LYS  76          HE2       LYS  76 -28.713  -0.719 -12.818
  641   2HE   LYS  76          HE1       LYS  76 -27.596   0.643 -12.857
  642   1HZ   LYS  76          HZ1       LYS  76 -26.965  -2.084 -11.855
  643   2HZ   LYS  76          HZ2       LYS  76 -25.883  -0.777 -11.909
  644   3HZ   LYS  76          HZ3       LYS  76 -26.479  -1.444 -13.348