*HEADER    CELL CYCLE                              18-MAR-14   2MMU              
*TITLE     STRUCTURE OF M. TUBERCULOSIS CRGA MEMBRANE PROTEIN IN LIPID BILAYER   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CELL DIVISION PROTEIN CRGA;                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS;                     
*SOURCE   3 ORGANISM_TAXID: 1773;                                                
*SOURCE   4 STRAIN: H37RV;                                                       
*SOURCE   5 GENE: CRGA, MT0014, MTCY10H4.11C, RV0011C;                           
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET29B                                     
*KEYWDS    CRGA STRUCTURE, MEMBRANE PROTEIN, HYDRATED LIPID BILAYER, CELL CYCLE  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    1                                                                     
*AUTHOR    N.DAS, I.Hung, J.DAI, M.RAJAGOPALAN, H.ZHOU, T.A.CROSS                        
*REVDAT   2   31-DEC-14 2MMU    1                                                
*REVDAT   1   17-DEC-14 2MMU    0                                                


!! Val
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  30 and name C  )
       (resid  31 and name N  )
       (resid  31 and name HN ) 99.2  1.0  1.0

!! Trp
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  31 and name C  )
       (resid  32 and name N  )
       (resid  32 and name HN ) 88.2  1.0  1.0

!! Phe
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  32 and name C  )
       (resid  33 and name N  )
       (resid  33 and name HN ) 81.4  1.0  1.0

!! Val
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  33 and name C  )
       (resid  34 and name N  )
       (resid  34 and name HN ) 89.4  1.0  1.0

!! Ser
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  34 and name C  )
       (resid  35 and name N  )
       (resid  35 and name HN ) 105.4  1.0  1.0

!! Leu
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  35 and name C  )
       (resid  36 and name N  )
       (resid  36 and name HN ) 84.8  1.0  1.0

!! Phe
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  36 and name C  )
       (resid  37 and name N  )
       (resid  37 and name HN ) 87.3  1.0  1.0

!! Ile
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  37 and name C  )
       (resid  38 and name N  )
       (resid  38 and name HN ) 99.9  1.0  1.0

!! Gly
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  38 and name C  )
       (resid  39 and name N  )
       (resid  39 and name HN ) 98.3  1.0  1.0

!! Leu
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  39 and name C  )
       (resid  40 and name N  )
       (resid  40 and name HN ) 76.2  1.0  1.0

!! Met
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  40 and name C  )
       (resid  41 and name N  )
       (resid  41 and name HN ) 80.8  1.0  1.0

!! Leu
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  41 and name C  )
       (resid  42 and name N  )
       (resid  42 and name HN ) 103.9  1.0  1.0

!! Ile
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  42 and name C  )
       (resid  43 and name N  )
       (resid  43 and name HN ) 86.5  1.0  1.0

!! Leu
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  44 and name C  )
       (resid  45 and name N  )
       (resid  45 and name HN ) 102.5  1.0  1.0

!! Ile
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  45 and name C  )
       (resid  46 and name N  )
       (resid  46 and name HN ) 103.2  1.0  1.0

!! Trp
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  46 and name C  )
       (resid  47 and name N  )
       (resid  47 and name HN ) 66.5  1.0  1.0

!! Leu
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  47 and name C  )
       (resid  48 and name N  )
       (resid  48 and name HN ) 93.7  1.0  1.0

!! Met
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  48 and name C  )
       (resid  49 and name N  )
       (resid  49 and name HN ) 100.4  1.0  1.0

!! Val
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  49 and name C  )
       (resid  50 and name N  )
       (resid  50 and name HN ) 49.2  1.0  1.0

!! Phe
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  50 and name C  )
       (resid  51 and name N  )
       (resid  51 and name HN ) 103.0  1.0  1.0

!! Leu
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  52 and name C  )
       (resid  53 and name N  )
       (resid  53 and name HN ) 52.2  1.0  1.0

!! Trp
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  72 and name C  )
       (resid  73 and name N  )
       (resid  73 and name HN ) 102.5  1.0  1.0

!! Asn
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  73 and name C  )
       (resid  74 and name N  )
       (resid  74 and name HN ) 86.8  1.0  1.0

!! Tyr
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  74 and name C  )
       (resid  75 and name N  )
       (resid  75 and name HN ) 67.6  1.0  1.0

!! Ala
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  75 and name C  )
       (resid  76 and name N  )
       (resid  76 and name HN ) 98.8  1.0  1.0

!! Ile
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  76 and name C  )
       (resid  77 and name N  )
       (resid  77 and name HN ) 102.7  1.0  1.0

!! Ala
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  77 and name C  )
       (resid  78 and name N  )
       (resid  78 and name HN ) 78.7  1.0  1.0

!! Phe
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  78 and name C  )
       (resid  79 and name N  )
       (resid  79 and name HN ) 97.0  1.0  1.0

!! Ala
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  79 and name C  )
       (resid  80 and name N  )
       (resid  80 and name HN ) 106.4  1.0  1.0

!! Phe
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  80 and name C  )
       (resid  81 and name N  )
       (resid  81 and name HN ) 87.9  1.0  1.0

!! Met
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  81 and name C  )
       (resid  82 and name N  )
       (resid  82 and name HN ) 71.6  1.0  1.0

!! Ile
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  82 and name C  )
       (resid  83 and name N  )
       (resid  83 and name HN ) 96.0  1.0  1.0

!! Thr
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  83 and name C  )
       (resid  84 and name N  )
       (resid  84 and name HN ) 100.9  1.0  1.0

!! Gly
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  84 and name C  )
       (resid  85 and name N  )
       (resid  85 and name HN ) 81.2  1.0  1.0

!! Leu
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  85 and name C  )
       (resid  86 and name N  )
       (resid  86 and name HN ) 81.7  1.0  1.0

!! Leu
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  86 and name C  )
       (resid  87 and name N  )
       (resid  87 and name HN ) 108.3  1.0  1.0

!! Leu
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  87 and name C  )
       (resid  88 and name N  )
       (resid  88 and name HN ) 97.0  1.0  1.0

!! Thr
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  88 and name C  )
       (resid  89 and name N  )
       (resid  89 and name HN ) 93.7  1.0  1.0

!! Met
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  89 and name C  )
       (resid  90 and name N  )
       (resid  90 and name HN ) 85.3  1.0  1.0

!! Arg
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  90 and name C  )
       (resid  91 and name N  )
       (resid  91 and name HN ) 55.2  1.0  1.0

!! Val
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  31 and name N  )
       (resid  31 and name HN ) 16.1  1.0

!! Trp
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  32 and name N  )
       (resid  32 and name HN ) 18.5  1.0

!! Phe
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  33 and name N  )
       (resid  33 and name HN ) 15.7  1.0

!! Val
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  34 and name N  )
       (resid  34 and name HN ) 13.0  1.0

!! Ser
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  35 and name N  )
       (resid  35 and name HN ) 18.1  1.0

!! Leu
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  36 and name N  )
       (resid  36 and name HN ) 19.1  1.0

!! Phe
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  37 and name N  )
       (resid  37 and name HN ) 13.9  1.0

!! Ile
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  38 and name N  )
       (resid  38 and name HN ) 14.5  1.0

!! Gly
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  39 and name N  )
       (resid  39 and name HN ) 19.3  1.0

!! Leu
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  40 and name N  )
       (resid  40 and name HN ) 16.4  1.0

!! Met
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  41 and name N  )
       (resid  41 and name HN ) 15.8  1.0

!! Leu
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  42 and name N  )
       (resid  42 and name HN ) 17.9  1.0

!! Ile
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  43 and name N  )
       (resid  43 and name HN ) 19.8  1.0

!! Leu
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  45 and name N  )
       (resid  45 and name HN ) 15.2  1.0

!! Ile
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  46 and name N  )
       (resid  46 and name HN ) 18.0  1.0

!! Trp
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  47 and name N  )
       (resid  47 and name HN ) 17.5  1.0

!! Leu
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  48 and name N  )
       (resid  48 and name HN ) 14.2  1.0

!! Met
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  49 and name N  )
       (resid  49 and name HN ) 16.2  1.0

!! Val
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  50 and name N  )
       (resid  50 and name HN ) 12.8  1.0

!! Phe
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  51 and name N  )
       (resid  51 and name HN ) 16.5  1.0

!! Leu
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  53 and name N  )
       (resid  53 and name HN ) 13.3  1.0

!! Trp
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  73 and name N  )
       (resid  73 and name HN ) 16.8  1.0

!! Asn
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  74 and name N  )
       (resid  74 and name HN ) 19.1  1.0

!! Tyr
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  75 and name N  )
       (resid  75 and name HN ) 8.6  1.0

!! Ala
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  76 and name N  )
       (resid  76 and name HN ) 15.6  1.0

!! Ile
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  77 and name N  )
       (resid  77 and name HN ) 20.1  1.0

!! Ala
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  78 and name N  )
       (resid  78 and name HN ) 17.5  1.0

!! Phe
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  79 and name N  )
       (resid  79 and name HN ) 14.4  1.0

!! Ala
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  80 and name N  )
       (resid  80 and name HN ) 17.4  1.0

!! Phe
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  81 and name N  )
       (resid  81 and name HN ) 18.2  1.0

!! Met
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  82 and name N  )
       (resid  82 and name HN ) 15.6  1.0

!! Ile
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  83 and name N  )
       (resid  83 and name HN ) 12.1  1.0

!! Thr
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  84 and name N  )
       (resid  84 and name HN ) 18.3  1.0

!! Gly
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  85 and name N  )
       (resid  85 and name HN ) 19.5  1.0

!! Leu
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  86 and name N  )
       (resid  86 and name HN ) 13.2  1.0

!! Leu
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  87 and name N  )
       (resid  87 and name HN ) 15.9  1.0

!! Leu
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  88 and name N  )
       (resid  88 and name HN ) 17.1  1.0

!! Thr
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  89 and name N  )
       (resid  89 and name HN ) 20.7  1.0

!! Met
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  90 and name N  )
       (resid  90 and name HN ) 17.6  1.0

!! Arg
assign (resid 600 and name OO )
       (resid 600 and name Z  )
       (resid 600 and name X  )
       (resid 600 and name Y  )
       (resid  91 and name N  )
       (resid  91 and name HN ) 9.5  1.0

  Entry H atom name         Submitted Coord H atom name
    1    H    SER  30           HT1      SER  30  11.911  14.852 -13.245
    2    HA   SER  30           HA       SER  30  10.023  13.523 -14.135
    3    HB2  SER  30           HB2      SER  30  10.594  11.280 -14.289
    4    HB3  SER  30           HB1      SER  30  11.565  11.292 -12.777
    5    HG   SER  30           HG1      SER  30   9.343  10.040 -12.913
    6    H    VAL  31           HN       VAL  31   8.237  14.236 -13.228
    7    HA   VAL  31           HA       VAL  31   8.096  15.322 -10.847
    8    HB   VAL  31           HB       VAL  31   5.773  14.465 -12.517
    9   HG11  VAL  31          HG11      VAL  31   4.390  16.139 -11.411
   10   HG12  VAL  31          HG12      VAL  31   5.993  16.726 -10.522
   11   HG13  VAL  31          HG13      VAL  31   5.206  15.153 -10.248
   12   HG21  VAL  31          HG21      VAL  31   7.461  17.202 -12.383
   13   HG22  VAL  31          HG22      VAL  31   6.164  16.889 -13.520
   14   HG23  VAL  31          HG23      VAL  31   7.722  15.944 -13.558
   15    H    TRP  32           HN       TRP  32   6.890  12.069 -11.899
   16    HA   TRP  32           HA       TRP  32   5.452  11.276  -9.505
   17    HB2  TRP  32           HB2      TRP  32   5.018  10.403 -11.679
   18    HB3  TRP  32           HB1      TRP  32   6.587   9.717 -11.823
   19    HD1  TRP  32           HD1      TRP  32   3.407   9.239 -10.017
   20    HE1  TRP  32           HE1      TRP  32   3.326   7.024  -8.657
   21    HE3  TRP  32           HE3      TRP  32   7.821   7.681 -11.264
   22    HZ2  TRP  32           HZ2      TRP  32   4.967   4.604  -8.537
   23    HZ3  TRP  32           HZ3      TRP  32   8.716   5.217 -10.534
   24    HH2  TRP  32           HH2      TRP  32   7.199   3.809  -9.236
   25    H    PHE  33           HN       PHE  33   8.930  10.824 -10.796
   26    HA   PHE  33           HA       PHE  33   9.721   8.995  -8.639
   27    HB2  PHE  33           HB2      PHE  33  10.742   9.183 -10.933
   28    HB3  PHE  33           HB1      PHE  33  11.212  10.912 -10.458
   29    HD1  PHE  33           HD2      PHE  33  11.662   7.249  -9.750
   30    HD2  PHE  33           HD1      PHE  33  13.239  11.122  -8.948
   31    HE1  PHE  33           HE2      PHE  33  13.340   6.149  -8.436
   32    HE2  PHE  33           HE1      PHE  33  15.041  10.180  -7.701
   33    HZ   PHE  33           HZ       PHE  33  15.212   7.599  -7.323
   34    H    VAL  34           HN       VAL  34   9.921  12.585  -8.966
   35    HA   VAL  34           HA       VAL  34  11.188  12.857  -6.484
   36    HB   VAL  34           HB       VAL  34   9.553  14.742  -8.143
   37   HG11  VAL  34          HG11      VAL  34  10.948  16.515  -6.592
   38   HG12  VAL  34          HG12      VAL  34  10.971  15.075  -5.458
   39   HG13  VAL  34          HG13      VAL  34   9.442  15.743  -5.951
   40   HG21  VAL  34          HG21      VAL  34  12.548  14.317  -7.558
   41   HG22  VAL  34          HG22      VAL  34  11.872  15.646  -8.622
   42   HG23  VAL  34          HG23      VAL  34  11.754  14.015  -9.244
   43    H    SER  35           HN       SER  35   7.653  12.883  -7.384
   44    HA   SER  35           HA       SER  35   6.906  13.301  -4.814
   45    HB2  SER  35           HB2      SER  35   5.670  11.594  -7.163
   46    HB3  SER  35           HB1      SER  35   4.720  11.970  -5.744
   47    HG   SER  35           HG1      SER  35   5.821  13.780  -7.720
   48    H    LEU  36           HN       LEU  36   7.771  10.237  -6.301
   49    HA   LEU  36           HA       LEU  36   6.749   8.543  -4.334
   50    HB2  LEU  36           HB2      LEU  36   7.434   7.715  -6.341
   51    HB3  LEU  36           HB1      LEU  36   9.090   8.450  -6.325
   52    HG   LEU  36           HG       LEU  36   9.550   6.673  -4.402
   53   HD11  LEU  36          HD11      LEU  36   7.045   6.044  -3.899
   54   HD12  LEU  36          HD12      LEU  36   7.707   4.616  -4.732
   55   HD13  LEU  36          HD13      LEU  36   6.770   5.786  -5.566
   56   HD21  LEU  36          HD21      LEU  36  10.638   6.124  -6.297
   57   HD22  LEU  36          HD22      LEU  36   9.061   5.841  -7.303
   58   HD23  LEU  36          HD23      LEU  36   9.493   4.718  -5.999
   59    H    PHE  37           HN       PHE  37   9.913  10.255  -4.768
   60    HA   PHE  37           HA       PHE  37  11.278   9.130  -2.661
   61    HB2  PHE  37           HB2      PHE  37  12.291  10.070  -4.757
   62    HB3  PHE  37           HB1      PHE  37  11.638  11.692  -4.340
   63    HD1  PHE  37           HD2      PHE  37  13.129   9.334  -1.985
   64    HD2  PHE  37           HD1      PHE  37  13.631  12.926  -4.179
   65    HE1  PHE  37           HE2      PHE  37  15.527   9.714  -0.968
   66    HE2  PHE  37           HE1      PHE  37  15.704  13.475  -3.015
   67    HZ   PHE  37           HZ       PHE  37  16.590  11.786  -1.312
   68    H    ILE  38           HN       ILE  38   9.388  12.240  -2.772
   69    HA   ILE  38           HA       ILE  38   9.820  12.952  -0.186
   70    HB   ILE  38           HB       ILE  38   7.557  13.230  -2.312
   71   HG12  ILE  38          HG12      ILE  38   9.522  15.249  -1.143
   72   HG13  ILE  38          HG11      ILE  38   9.906  14.325  -2.681
   73   HG21  ILE  38          HG21      ILE  38   6.280  13.394  -0.246
   74   HG22  ILE  38          HG22      ILE  38   6.703  15.148  -0.705
   75   HG23  ILE  38          HG23      ILE  38   7.601  14.308   0.589
   76   HD11  ILE  38          HD3       ILE  38   8.125  15.574  -3.908
   77   HD12  ILE  38          HD1       ILE  38   7.552  16.424  -2.488
   78   HD13  ILE  38          HD2       ILE  38   9.224  16.681  -3.069
   79    H    GLY  39           HN       GLY  39   7.520  10.400  -1.588
   80    HA2  GLY  39           HA2      GLY  39   6.194  10.244   0.865
   81    HA3  GLY  39           HA1      GLY  39   6.066   9.235  -0.587
   82    H    LEU  40           HN       LEU  40   9.024   8.457  -0.592
   83    HA   LEU  40           HA       LEU  40   9.229   6.620   1.625
   84    HB2  LEU  40           HB2      LEU  40  10.935   7.589  -0.605
   85    HB3  LEU  40           HB1      LEU  40  11.730   6.668   0.692
   86    HG   LEU  40           HG       LEU  40   9.388   5.453  -1.035
   87   HD11  LEU  40          HD11      LEU  40  11.105   4.134  -2.044
   88   HD12  LEU  40          HD12      LEU  40  12.453   5.273  -1.257
   89   HD13  LEU  40          HD13      LEU  40  11.365   5.898  -2.521
   90   HD21  LEU  40          HD21      LEU  40  10.264   3.333   0.014
   91   HD22  LEU  40          HD22      LEU  40   9.812   4.416   1.313
   92   HD23  LEU  40          HD23      LEU  40  11.534   4.255   0.981
   93    H    MET  41           HN       MET  41  10.573   9.650   1.096
   94    HA   MET  41           HA       MET  41  12.092   9.862   3.565
   95    HB2  MET  41           HB2      MET  41  11.025  11.622   1.460
   96    HB3  MET  41           HB1      MET  41  11.637  12.578   2.816
   97    HG2  MET  41           HG2      MET  41  13.164  10.406   1.154
   98    HG3  MET  41           HG1      MET  41  13.467  12.267   1.150
   99    HE1  MET  41           HE1      MET  41  16.262  10.656   1.428
  100    HE2  MET  41           HE2      MET  41  16.748  11.607   2.760
  101    HE3  MET  41           HE3      MET  41  15.798  12.462   1.375
  102    H    LEU  42           HN       LEU  42   8.696  10.779   2.884
  103    HA   LEU  42           HA       LEU  42   8.312  11.489   5.403
  104    HB2  LEU  42           HB2      LEU  42   6.164  10.576   3.461
  105    HB3  LEU  42           HB1      LEU  42   5.900  11.191   5.092
  106    HG   LEU  42           HG       LEU  42   7.511  12.964   3.240
  107   HD11  LEU  42          HD11      LEU  42   5.550  13.955   2.347
  108   HD12  LEU  42          HD12      LEU  42   4.482  12.791   3.361
  109   HD13  LEU  42          HD13      LEU  42   5.443  12.244   1.958
  110   HD21  LEU  42          HD21      LEU  42   5.553  13.854   5.384
  111   HD22  LEU  42          HD22      LEU  42   6.913  14.699   4.408
  112   HD23  LEU  42          HD23      LEU  42   7.374  13.517   5.566
  113    H    ILE  43           HN       ILE  43   8.184   8.134   3.786
  114    HA   ILE  43           HA       ILE  43   7.009   6.938   6.081
  115    HB   ILE  43           HB       ILE  43   7.143   6.100   3.516
  116   HG12  ILE  43          HG12      ILE  43   6.793   4.187   5.868
  117   HG13  ILE  43          HG11      ILE  43   5.570   5.447   5.371
  118   HG21  ILE  43          HG21      ILE  43   9.564   5.443   3.822
  119   HG22  ILE  43          HG22      ILE  43   8.553   4.204   3.156
  120   HG23  ILE  43          HG23      ILE  43   8.989   4.032   4.882
  121   HD11  ILE  43          HD3       ILE  43   6.638   2.876   3.790
  122   HD12  ILE  43          HD1       ILE  43   4.899   3.213   4.334
  123   HD13  ILE  43          HD2       ILE  43   5.669   4.039   3.023
  124    H    GLY  44           HN       GLY  44  10.354   7.255   5.094
  125    HA2  GLY  44           HA2      GLY  44  11.678   6.091   7.206
  126    HA3  GLY  44           HA1      GLY  44  12.324   7.376   6.252
  127    H    LEU  45           HN       LEU  45  10.450   9.474   7.122
  128    HA   LEU  45           HA       LEU  45  11.110   9.956   9.749
  129    HB2  LEU  45           HB2      LEU  45  10.637  11.567   7.896
  130    HB3  LEU  45           HB1      LEU  45   9.058  10.971   7.804
  131    HG   LEU  45           HG       LEU  45   8.679  11.882  10.239
  132   HD11  LEU  45          HD11      LEU  45  10.116  13.923  10.719
  133   HD12  LEU  45          HD12      LEU  45  11.378  13.291   9.553
  134   HD13  LEU  45          HD13      LEU  45  10.927  12.265  10.968
  135   HD21  LEU  45          HD21      LEU  45   9.440  13.645   7.894
  136   HD22  LEU  45          HD22      LEU  45   8.427  14.172   9.326
  137   HD23  LEU  45          HD23      LEU  45   7.903  12.751   8.269
  138    H    ILE  46           HN       ILE  46   7.892   8.332   8.485
  139    HA   ILE  46           HA       ILE  46   6.534   8.352  10.876
  140    HB   ILE  46           HB       ILE  46   6.288   6.972   8.324
  141   HG12  ILE  46          HG12      ILE  46   4.726   9.284   9.600
  142   HG13  ILE  46          HG11      ILE  46   5.842   9.366   8.331
  143   HG21  ILE  46          HG21      ILE  46   3.801   6.517   9.397
  144   HG22  ILE  46          HG22      ILE  46   4.531   6.908  10.933
  145   HG23  ILE  46          HG23      ILE  46   5.092   5.430  10.085
  146   HD11  ILE  46          HD3       ILE  46   3.874   9.239   6.971
  147   HD12  ILE  46          HD1       ILE  46   4.138   7.490   7.177
  148   HD13  ILE  46          HD2       ILE  46   2.917   8.307   8.162
  149    H    TRP  47           HN       TRP  47   8.698   6.079   9.451
  150    HA   TRP  47           HA       TRP  47   8.438   4.097  11.542
  151    HB2  TRP  47           HB2      TRP  47  10.156   3.895   9.330
  152    HB3  TRP  47           HB1      TRP  47  11.192   4.969  10.231
  153    HD1  TRP  47           HD1      TRP  47  12.869   3.691  11.727
  154    HE1  TRP  47           HE1      TRP  47  13.157   1.246  12.572
  155    HE3  TRP  47           HE3      TRP  47   8.413   1.813  10.135
  156    HZ2  TRP  47           HZ2      TRP  47  11.637  -1.186  12.414
  157    HZ3  TRP  47           HZ3      TRP  47   7.811  -0.541  10.554
  158    HH2  TRP  47           HH2      TRP  47   9.513  -2.076  11.511
  159    H    LEU  48           HN       LEU  48  10.512   6.951  11.530
  160    HA   LEU  48           HA       LEU  48  11.362   6.573  14.123
  161    HB2  LEU  48           HB2      LEU  48  11.518   9.107  12.476
  162    HB3  LEU  48           HB1      LEU  48  12.323   8.885  14.062
  163    HG   LEU  48           HG       LEU  48  12.734   7.266  11.565
  164   HD11  LEU  48          HD11      LEU  48  13.467   9.342  10.905
  165   HD12  LEU  48          HD12      LEU  48  15.023   8.550  11.500
  166   HD13  LEU  48          HD13      LEU  48  14.246   9.786  12.470
  167   HD21  LEU  48          HD21      LEU  48  14.199   7.287  14.270
  168   HD22  LEU  48          HD22      LEU  48  15.113   6.806  12.729
  169   HD23  LEU  48          HD23      LEU  48  13.649   5.897  13.269
  170    H    MET  49           HN       MET  49   8.235   8.365  13.010
  171    HA   MET  49           HA       MET  49   7.730   9.122  15.543
  172    HB2  MET  49           HB2      MET  49   5.925   8.604  13.256
  173    HB3  MET  49           HB1      MET  49   5.567   9.546  14.817
  174    HG2  MET  49           HG2      MET  49   7.521  10.376  12.452
  175    HG3  MET  49           HG1      MET  49   6.034  11.069  12.988
  176    HE1  MET  49           HE1      MET  49   9.170  13.267  13.664
  177    HE2  MET  49           HE2      MET  49   7.727  13.006  12.513
  178    HE3  MET  49           HE3      MET  49   9.170  11.853  12.696
  179    H    VAL  50           HN       VAL  50   7.380   6.028  14.023
  180    HA   VAL  50           HA       VAL  50   5.490   4.966  16.011
  181    HB   VAL  50           HB       VAL  50   7.168   3.342  14.072
  182   HG11  VAL  50          HG11      VAL  50   5.314   1.697  14.545
  183   HG12  VAL  50          HG12      VAL  50   4.878   2.538  15.940
  184   HG13  VAL  50          HG13      VAL  50   6.570   1.963  15.933
  185   HG21  VAL  50          HG21      VAL  50   4.195   4.087  14.250
  186   HG22  VAL  50          HG22      VAL  50   4.969   3.312  12.807
  187   HG23  VAL  50          HG23      VAL  50   5.267   5.046  13.159
  188    H    PHE  51           HN       PHE  51   9.104   4.267  15.572
  189    HA   PHE  51           HA       PHE  51   9.040   3.222  18.250
  190    HB2  PHE  51           HB2      PHE  51  10.985   2.808  15.886
  191    HB3  PHE  51           HB1      PHE  51  11.281   2.159  17.458
  192    HD1  PHE  51           HD2      PHE  51   9.276   0.823  18.573
  193    HD2  PHE  51           HD1      PHE  51   9.703   1.499  14.365
  194    HE1  PHE  51           HE2      PHE  51   7.941  -1.193  18.108
  195    HE2  PHE  51           HE1      PHE  51   8.475  -0.504  13.868
  196    HZ   PHE  51           HZ       PHE  51   7.460  -1.866  15.783
  197    H    GLN  52           HN       GLN  52  10.076   6.315  17.210
  198    HA   GLN  52           HA       GLN  52  12.078   6.284  19.424
  199    HB2  GLN  52           HB2      GLN  52  12.322   7.305  16.456
  200    HB3  GLN  52           HB1      GLN  52  13.585   7.616  17.587
  201    HG2  GLN  52           HG2      GLN  52  12.670   4.890  16.608
  202    HG3  GLN  52           HG1      GLN  52  14.268   5.771  16.226
  203   HE21  GLN  52          HE21      GLN  52  15.607   6.344  18.153
  204   HE22  GLN  52          HE22      GLN  52  15.963   5.040  19.130
  205    H    LEU  53           HN       LEU  53   9.919   8.334  17.561
  206    HA   LEU  53           HA       LEU  53  10.757  10.444  19.328
  207    HB2  LEU  53           HB2      LEU  53   9.469  10.263  16.664
  208    HB3  LEU  53           HB1      LEU  53   9.637  11.796  17.515
  209    HG   LEU  53           HG       LEU  53  12.053   9.962  16.787
  210   HD11  LEU  53          HD11      LEU  53  10.723  10.626  14.709
  211   HD12  LEU  53          HD12      LEU  53  12.481  11.192  14.899
  212   HD13  LEU  53          HD13      LEU  53  11.080  12.330  15.054
  213   HD21  LEU  53          HD21      LEU  53  11.771  12.872  17.557
  214   HD22  LEU  53          HD22      LEU  53  13.262  12.232  16.851
  215   HD23  LEU  53          HD23      LEU  53  12.724  11.639  18.459
  216    H    LEU  70           HT3      LEU  70   4.914  15.345  19.642
  217    HA   LEU  70           HA       LEU  70   3.680  14.076  21.397
  218    HB2  LEU  70           HB2      LEU  70   2.112  16.727  21.210
  219    HB3  LEU  70           HB1      LEU  70   1.654  15.353  22.320
  220    HG   LEU  70           HG       LEU  70   4.290  16.871  22.778
  221   HD11  LEU  70          HD11      LEU  70   1.657  17.169  24.286
  222   HD12  LEU  70          HD12      LEU  70   2.219  18.382  23.037
  223   HD13  LEU  70          HD13      LEU  70   3.247  17.883  24.458
  224   HD21  LEU  70          HD21      LEU  70   3.556  15.881  25.036
  225   HD22  LEU  70          HD22      LEU  70   4.243  14.669  23.861
  226   HD23  LEU  70          HD23      LEU  70   2.503  14.727  24.326
  227    H    GLY  71           HN       GLY  71   1.237  13.672  21.372
  228    HA2  GLY  71           HA2      GLY  71   0.803  12.139  19.158
  229    HA3  GLY  71           HA1      GLY  71  -0.491  12.784  20.276
  230    HA   PRO  72           HA       PRO  72  -2.320  14.690  16.994
  231    HB2  PRO  72           HB2      PRO  72  -1.604  17.366  18.065
  232    HB3  PRO  72           HB1      PRO  72  -3.280  16.762  17.598
  233    HG2  PRO  72           HG2      PRO  72  -2.836  16.817  20.315
  234    HG3  PRO  72           HG1      PRO  72  -3.546  15.398  19.535
  235    HD2  PRO  72           HD2      PRO  72  -0.693  15.864  20.395
  236    HD3  PRO  72           HD1      PRO  72  -1.686  14.429  20.581
  237    H    TRP  73           HN       TRP  73   0.686  16.582  17.486
  238    HA   TRP  73           HA       TRP  73   1.219  17.233  14.850
  239    HB2  TRP  73           HB2      TRP  73   2.354  18.349  16.658
  240    HB3  TRP  73           HB1      TRP  73   2.909  16.867  17.362
  241    HD1  TRP  73           HD1      TRP  73   5.577  16.332  16.711
  242    HE1  TRP  73           HE1      TRP  73   7.265  17.471  14.969
  243    HE3  TRP  73           HE3      TRP  73   2.294  18.865  13.661
  244    HZ2  TRP  73           HZ2      TRP  73   7.163  18.381  12.554
  245    HZ3  TRP  73           HZ3      TRP  73   3.268  19.701  11.523
  246    HH2  TRP  73           HH2      TRP  73   5.477  19.501  10.934
  247    H    ASN  74           HN       ASN  74   2.042  14.067  16.604
  248    HA   ASN  74           HA       ASN  74   3.642  12.958  14.516
  249    HB2  ASN  74           HB2      ASN  74   2.024  12.125  17.010
  250    HB3  ASN  74           HB1      ASN  74   2.634  10.830  15.957
  251   HD21  ASN  74          HD21      ASN  74   3.837  10.074  17.927
  252   HD22  ASN  74          HD22      ASN  74   5.480  10.723  17.905
  253    H    TYR  75           HN       TYR  75   0.265  12.896  15.126
  254    HA   TYR  75           HA       TYR  75  -0.198  11.011  13.044
  255    HB2  TYR  75           HB2      TYR  75  -2.078  12.698  14.851
  256    HB3  TYR  75           HB1      TYR  75  -2.638  11.434  13.628
  257    HD1  TYR  75           HD1      TYR  75   0.244   9.777  14.739
  258    HD2  TYR  75           HD2      TYR  75  -3.450  11.253  16.331
  259    HE1  TYR  75           HE1      TYR  75   0.357   8.206  16.479
  260    HE2  TYR  75           HE2      TYR  75  -3.115   9.896  18.390
  261    HH   TYR  75           HH       TYR  75  -1.960   8.384  19.266
  262    H    ALA  76           HN       ALA  76  -0.170  14.548  13.358
  263    HA   ALA  76           HA       ALA  76  -1.176  15.122  10.752
  264    HB1  ALA  76           HB1      ALA  76   0.861  16.813  12.342
  265    HB2  ALA  76           HB2      ALA  76  -0.969  16.827  12.561
  266    HB3  ALA  76           HB3      ALA  76  -0.177  17.309  11.002
  267    H    ILE  77           HN       ILE  77   2.158  14.374  11.734
  268    HA   ILE  77           HA       ILE  77   3.115  14.811   9.076
  269    HB   ILE  77           HB       ILE  77   4.187  13.291  11.502
  270   HG12  ILE  77          HG12      ILE  77   5.762  15.412  10.341
  271   HG13  ILE  77          HG11      ILE  77   4.390  16.174  11.136
  272   HG21  ILE  77          HG21      ILE  77   4.943  12.021   9.594
  273   HG22  ILE  77          HG22      ILE  77   6.416  12.953  10.124
  274   HG23  ILE  77          HG23      ILE  77   5.565  13.472   8.740
  275   HD11  ILE  77          HD3       ILE  77   4.857  15.330  13.282
  276   HD12  ILE  77          HD1       ILE  77   5.837  13.978  12.716
  277   HD13  ILE  77          HD2       ILE  77   6.430  15.738  12.663
  278    H    ALA  78           HN       ALA  78   1.583  12.044  10.785
  279    HA   ALA  78           HA       ALA  78   2.147  10.165   8.837
  280    HB1  ALA  78           HB1      ALA  78   1.462   9.682  11.271
  281    HB2  ALA  78           HB2      ALA  78   0.766   8.652  10.048
  282    HB3  ALA  78           HB3      ALA  78  -0.090  10.105  10.901
  283    H    PHE  79           HN       PHE  79  -0.568  12.442   9.344
  284    HA   PHE  79           HA       PHE  79  -2.176  11.525   7.412
  285    HB2  PHE  79           HB2      PHE  79  -2.872  13.070   9.162
  286    HB3  PHE  79           HB1      PHE  79  -1.672  14.235   8.727
  287    HD1  PHE  79           HD1      PHE  79  -4.274  12.283   6.308
  288    HD2  PHE  79           HD2      PHE  79  -2.902  16.139   7.816
  289    HE1  PHE  79           HE1      PHE  79  -6.059  13.396   5.173
  290    HE2  PHE  79           HE2      PHE  79  -4.819  17.218   6.618
  291    HZ   PHE  79           HZ       PHE  79  -6.341  15.862   5.210
  292    H    ALA  80           HN       ALA  80   0.316  13.905   7.124
  293    HA   ALA  80           HA       ALA  80   0.105  14.995   4.508
  294    HB1  ALA  80           HB1      ALA  80   2.499  14.666   6.166
  295    HB2  ALA  80           HB2      ALA  80   1.209  16.019   6.312
  296    HB3  ALA  80           HB3      ALA  80   2.122  15.897   4.796
  297    H    PHE  81           HN       PHE  81   2.163  12.215   5.672
  298    HA   PHE  81           HA       PHE  81   2.715  11.362   3.030
  299    HB2  PHE  81           HB2      PHE  81   3.910  10.534   5.123
  300    HB3  PHE  81           HB1      PHE  81   2.404   9.905   5.741
  301    HD1  PHE  81           HD1      PHE  81   4.175   9.442   2.515
  302    HD2  PHE  81           HD2      PHE  81   2.152   7.521   5.817
  303    HE1  PHE  81           HE1      PHE  81   4.546   7.329   1.532
  304    HE2  PHE  81           HE2      PHE  81   2.181   5.413   4.610
  305    HZ   PHE  81           HZ       PHE  81   3.566   5.312   2.422
  306    H    MET  82           HN       MET  82  -0.465  10.797   4.787
  307    HA   MET  82           HA       MET  82  -1.503   8.983   3.030
  308    HB2  MET  82           HB2      MET  82  -3.209  11.224   4.343
  309    HB3  MET  82           HB1      MET  82  -3.824   9.555   3.844
  310    HG2  MET  82           HG2      MET  82  -1.786   9.962   6.050
  311    HG3  MET  82           HG1      MET  82  -3.464   9.896   6.389
  312    HE1  MET  82           HE1      MET  82  -1.373   7.831   7.668
  313    HE2  MET  82           HE2      MET  82  -2.555   6.500   7.807
  314    HE3  MET  82           HE3      MET  82  -3.055   8.169   8.223
  315    H    ILE  83           HN       ILE  83  -1.487  12.654   2.984
  316    HA   ILE  83           HA       ILE  83  -2.894  13.139   0.665
  317    HB   ILE  83           HB       ILE  83  -0.629  14.789   1.775
  318   HG12  ILE  83          HG12      ILE  83  -3.524  15.391   2.445
  319   HG13  ILE  83          HG11      ILE  83  -2.401  14.378   3.526
  320   HG21  ILE  83          HG21      ILE  83  -1.412  16.505   0.489
  321   HG22  ILE  83          HG22      ILE  83  -3.004  15.736   0.081
  322   HG23  ILE  83          HG23      ILE  83  -1.459  15.235  -0.746
  323   HD11  ILE  83          HD3       ILE  83  -0.937  16.398   3.378
  324   HD12  ILE  83          HD1       ILE  83  -2.174  17.267   2.446
  325   HD13  ILE  83          HD2       ILE  83  -2.524  16.815   4.127
  326    H    THR  84           HN       THR  84   0.631  12.656   1.191
  327    HA   THR  84           HA       THR  84   1.648  12.891  -1.488
  328    HB   THR  84           HB       THR  84   2.557  11.022   0.769
  329    HG1  THR  84           HG1      THR  84   2.577  13.281   1.424
  330   HG21  THR  84          HG21      THR  84   4.801  11.476  -0.345
  331   HG22  THR  84          HG22      THR  84   4.083  12.365  -1.531
  332   HG23  THR  84          HG23      THR  84   3.746  10.509  -1.382
  333    H    GLY  85           HN       GLY  85   0.370   9.963   0.297
  334    HA2  GLY  85           HA2      GLY  85   0.961   8.093  -1.637
  335    HA3  GLY  85           HA1      GLY  85  -0.212   7.927  -0.315
  336    H    LEU  86           HN       LEU  86  -1.970   9.809  -1.042
  337    HA   LEU  86           HA       LEU  86  -3.491   8.787  -3.189
  338    HB2  LEU  86           HB2      LEU  86  -3.680  11.488  -1.546
  339    HB3  LEU  86           HB1      LEU  86  -4.939  10.984  -2.720
  340    HG   LEU  86           HG       LEU  86  -4.208   9.098  -0.506
  341   HD11  LEU  86          HD11      LEU  86  -5.069  11.034   0.551
  342   HD12  LEU  86          HD12      LEU  86  -6.589   9.989   0.358
  343   HD13  LEU  86          HD13      LEU  86  -6.242  11.456  -0.639
  344   HD21  LEU  86          HD21      LEU  86  -5.184   8.088  -2.524
  345   HD22  LEU  86          HD22      LEU  86  -6.571   9.325  -2.379
  346   HD23  LEU  86          HD23      LEU  86  -6.289   8.039  -1.179
  347    H    LEU  87           HN       LEU  87  -1.241  11.766  -2.875
  348    HA   LEU  87           HA       LEU  87  -1.936  12.896  -5.191
  349    HB2  LEU  87           HB2      LEU  87  -0.603  13.808  -3.272
  350    HB3  LEU  87           HB1      LEU  87   0.914  13.071  -3.990
  351    HG   LEU  87           HG       LEU  87  -0.936  15.105  -5.429
  352   HD11  LEU  87          HD11      LEU  87   0.020  15.890  -3.218
  353   HD12  LEU  87          HD12      LEU  87   0.375  16.951  -4.628
  354   HD13  LEU  87          HD13      LEU  87   1.627  15.900  -3.825
  355   HD21  LEU  87          HD21      LEU  87   0.657  14.011  -7.074
  356   HD22  LEU  87          HD22      LEU  87   1.787  13.954  -5.770
  357   HD23  LEU  87          HD23      LEU  87   1.502  15.621  -6.527
  358    H    LEU  88           HN       LEU  88   0.762  10.628  -4.822
  359    HA   LEU  88           HA       LEU  88   1.588  10.355  -7.357
  360    HB2  LEU  88           HB2      LEU  88   1.065   8.169  -5.261
  361    HB3  LEU  88           HB1      LEU  88   2.164   7.921  -6.610
  362    HG   LEU  88           HG       LEU  88   2.995  10.255  -4.999
  363   HD11  LEU  88          HD11      LEU  88   4.300   8.862  -3.485
  364   HD12  LEU  88          HD12      LEU  88   3.840   7.376  -4.306
  365   HD13  LEU  88          HD13      LEU  88   2.706   8.277  -3.284
  366   HD21  LEU  88          HD21      LEU  88   3.977   9.732  -7.279
  367   HD22  LEU  88          HD22      LEU  88   4.471   8.033  -6.597
  368   HD23  LEU  88          HD23      LEU  88   5.140   9.506  -5.895
  369    H    THR  89           HN       THR  89  -1.321   8.491  -5.882
  370    HA   THR  89           HA       THR  89  -1.914   7.305  -8.370
  371    HB   THR  89           HB       THR  89  -4.223   6.918  -7.550
  372    HG1  THR  89           HG1      THR  89  -3.794   8.832  -5.601
  373   HG21  THR  89          HG21      THR  89  -3.443   5.779  -5.387
  374   HG22  THR  89          HG22      THR  89  -1.896   6.574  -5.513
  375   HG23  THR  89          HG23      THR  89  -2.358   5.475  -6.859
  376    H    MET  90           HN       MET  90  -2.760  10.512  -7.368
  377    HA   MET  90           HA       MET  90  -4.637  10.893  -9.616
  378    HB2  MET  90           HB2      MET  90  -3.279  12.959  -7.934
  379    HB3  MET  90           HB1      MET  90  -4.746  13.177  -8.964
  380    HG2  MET  90           HG2      MET  90  -4.583  11.290  -6.601
  381    HG3  MET  90           HG1      MET  90  -5.316  12.993  -6.553
  382    HE1  MET  90           HE1      MET  90  -6.835  11.494  -5.429
  383    HE2  MET  90           HE2      MET  90  -6.827   9.729  -5.966
  384    HE3  MET  90           HE3      MET  90  -8.325  10.745  -6.062
  385    H    ARG  91           HN       ARG  91  -1.248  11.196  -9.278
  386    HA   ARG  91           HA       ARG  91  -0.613  13.017 -11.410
  387    HB2  ARG  91           HB2      ARG  91   1.201  12.214  -9.955
  388    HB3  ARG  91           HB1      ARG  91   0.790  10.526 -10.324
  389    HG2  ARG  91           HG2      ARG  91   2.897  11.352 -11.407
  390    HG3  ARG  91           HG1      ARG  91   1.818  10.780 -12.729
  391    HD2  ARG  91           HD2      ARG  91   1.292  13.363 -13.044
  392    HD3  ARG  91           HD1      ARG  91   2.732  13.571 -11.955
  393    HE   ARG  91           HE       ARG  91   4.202  12.800 -13.782
  394   HH11  ARG  91          HH21      ARG  91   0.852  11.766 -14.562
  395   HH12  ARG  91          HH22      ARG  91   1.228  11.849 -16.217
  396   HH21  ARG  91          HH11      ARG  91   4.392  12.689 -16.028
  397   HH22  ARG  91          HH12      ARG  91   3.120  12.011 -16.937
  398    H    TRP  92           HN       TRP  92  -1.646   9.741 -11.606
  399    HA   TRP  92           HA       TRP  92  -1.540   9.716 -14.530
  400    HB2  TRP  92           HB2      TRP  92  -2.193   7.349 -12.677
  401    HB3  TRP  92           HB1      TRP  92  -1.547   7.328 -14.314
  402    HD1  TRP  92           HD1      TRP  92  -0.341   7.581 -10.629
  403    HE1  TRP  92           HE1      TRP  92   2.061   7.072 -10.929
  404    HE3  TRP  92           HE3      TRP  92   0.399   8.636 -15.594
  405    HZ2  TRP  92           HZ2      TRP  92   4.349   8.193 -12.554
  406    HZ3  TRP  92           HZ3      TRP  92   2.608   9.074 -16.400
  407    HH2  TRP  92           HH2      TRP  92   4.613   8.648 -14.900
  408    H    HIS  93           HN       HIS  93  -3.477   8.811 -15.706
  409    HA   HIS  93           HA       HIS  93  -5.972   8.942 -14.503
  410    HB2  HIS  93           HB2      HIS  93  -5.441  11.426 -14.777
  411    HB3  HIS  93           HB1      HIS  93  -5.566  11.069 -16.578
  412    HD2  HIS  93           HD2      HIS  93  -8.038  12.034 -17.453
  413    HE1  HIS  93           HE1      HIS  93 -10.278  10.270 -14.287
  414    HE2  HIS  93           HE2      HIS  93 -10.325  11.577 -16.471
  415    H    LEU  94           HN       LEU  94  -7.763   8.308 -15.534
  416    HA   LEU  94           HA       LEU  94  -7.986   6.392 -17.411
  417    HB2  LEU  94           HB2      LEU  94  -9.969   8.672 -17.053
  418    HB3  LEU  94           HB1      LEU  94 -10.015   7.324 -18.163
  419    HG   LEU  94           HG       LEU  94  -9.785   5.862 -15.852
  420   HD11  LEU  94          HD11      LEU  94 -10.746   8.490 -14.928
  421   HD12  LEU  94          HD12      LEU  94  -9.203   7.617 -14.343
  422   HD13  LEU  94          HD13      LEU  94 -10.734   6.985 -13.957
  423   HD21  LEU  94          HD21      LEU  94 -12.052   5.566 -16.014
  424   HD22  LEU  94          HD22      LEU  94 -11.821   6.297 -17.526
  425   HD23  LEU  94          HD23      LEU  94 -12.398   7.348 -16.217
  426    H    GLU  95           HN       GLU  95  -8.067   6.177 -19.601
  427    HA   GLU  95           HA       GLU  95  -6.788   8.376 -21.157
  428    HB2  GLU  95           HB2      GLU  95  -5.873   6.125 -21.446
  429    HB3  GLU  95           HB1      GLU  95  -7.489   5.485 -21.916
  430    HG2  GLU  95           HG2      GLU  95  -5.671   5.840 -23.664
  431    HG3  GLU  95           HG1      GLU  95  -7.371   6.479 -24.094