*HEADER    METAL BINDING PROTEIN                   17-FEB-10   2KUG              
*TITLE     HALOTHANE BINDS TO DRUGGABLE SITES IN CALCIUM-CALMODULIN:             
*TITLE    2 SOLUTION STRUCTURE OF HALOTHANE-CAM N-TERMINAL DOMAIN                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CALMODULIN;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: N-TERMINAL DOMAIN EF-HANDS 1 AND 2;                        
*COMPND   5 SYNONYM: CAM;                                                        
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: CALM, CALM1, CALM2, CALM3, CALML2, CAM, CAM1, CAM2,            
*SOURCE   6 CAM3, CAMB, CAMC, CAMIII;                                            
*SOURCE   7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   8 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)-PLYSS;                           
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PET 15B                                    
*KEYWDS    CALMODULIN, CALCIUM BINDING, VOLATILE ANESTHETIC, HALOTHANE,          
*KEYWDS   2 ACETYLATION, CALCIUM, CYTOPLASM, CYTOSKELETON, ISOPEPTIDE            
*KEYWDS   3 BOND, METHYLATION, PHOSPHOPROTEIN, POLYMORPHISM, UBL                 
*KEYWDS   4 CONJUGATION, METAL BINDING PROTEIN                                   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    5                                                                     
*AUTHOR    N.JURANIC, S.MACURA, M.V.SIMEONOV, K.A.JONES, A.R.PENHEITER,          
*AUTHOR   2 T.J.HOCK, J.H.STREIFF                                                
*REVDAT   1   09-MAR-10 2KUG    0                                                


!Protein-ligand NOE Restraints (A:calmodulin, B: halothnane)
!
assign (segid A    and resid   32 and   name HD2* )(segid B    and resid  149 and   name H4    )  6.0 1.5 2.0
assign (segid A    and resid   35 and   name HG1* )(segid B    and resid  149 and   name H4    )  6.0 1.5 2.0
assign (segid A    and resid   36 and   name HE*  )(segid B    and resid  149 and   name H4    )  6.0 1.5 2.0
assign (segid A    and resid   39 and   name HD2* )(segid B    and resid  149 and   name H4    )  5.5 1.0 2.0
assign (segid A    and resid   51 and   name HE*  )(segid B    and resid  149 and   name H4    )  5.0 1.0 1.5
assign (segid A    and resid   55 and   name HG1* )(segid B    and resid  149 and   name H4    )  5.5 1.0 2.0
assign (segid A    and resid   71 and   name HE*  )(segid B    and resid  149 and   name H4    )  4.0 0.5 1.0
assign (segid A    and resid   72 and   name HE*  )(segid B    and resid  149 and   name H4    )  5.0 1.0 1.5
assign (segid A    and resid   76 and   name HE*  )(segid B    and resid  149 and   name H4    )  7.0 2.0 2.5
!
!repulse
assign (segid A    and resid   12 and   name HE1  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   12 and   name HD1  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   12 and   name HE2  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   12 and   name HD2  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   16 and   name HB*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   16 and   name HD1  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   16 and   name HD2  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   16 and   name HE1  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   16 and   name HE2  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   16 and   name HZ   )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   19 and   name HE1  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   19 and   name HD1  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   19 and   name HE2  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   19 and   name HD2  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   27 and   name HG2* )(segid B    and resid  149 and   name H4    )  6.0 0.1 20
assign (segid A    and resid   27 and   name HD1* )(segid B    and resid  149 and   name H4    )  6.0 0.1 20
assign (segid A    and resid   29 and   name HG*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   32 and   name HB*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   32 and   name HG   )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   36 and   name HA   )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   36 and   name HG*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   39 and   name HD1* )(segid B    and resid  149 and   name H4    )  6.0 0.1 20
assign (segid A    and resid   40 and   name HA*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   41 and   name HA   )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   41 and   name HB*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   41 and   name HG*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   41 and   name HE2* )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   42 and   name HB*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   42 and   name HD2* )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   43 and   name HB*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   43 and   name HG*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   47 and   name HB*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   48 and   name HD1* )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   51 and   name HB*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   51 and   name HG*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   63 and   name HD1* )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   65 and   name HE1  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   65 and   name HD1  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   65 and   name HE2  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   65 and   name HD2  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   68 and   name HD1  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   68 and   name HB*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   68 and   name HE1  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   68 and   name HD2  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   68 and   name HE2  )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   68 and   name HZ   )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   71 and   name HB*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   71 and   name HG*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   72 and   name HA   )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   72 and   name HB*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   72 and   name HG*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   74 and   name H    )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   74 and   name HB*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   74 and   name HG*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   74 and   name HD*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   74 and   name HH2* )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   74 and   name HH1* )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   75 and   name HA   )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   75 and   name HB*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   75 and   name HG*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   75 and   name HE*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   75 and   name HZ*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
assign (segid A    and resid   76 and   name H    )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   76 and   name HA   )(segid B    and resid  149 and   name H4    )  4.0 0.1 20
assign (segid A    and resid   76 and   name HB*  )(segid B    and resid  149 and   name H4    )  5.0 0.1 20
!


Protein NOE restraints:
assign (resid    2 and   name H    )(resid    2 and   name HB2  )  3.7 1.2 1.8
assign (resid    2 and   name HA   )(resid    2 and   name HB1  )  3.7 1.2 1.8
assign (resid    2 and   name HA   )(resid    2 and   name HB2  )  3.1 0.8 1.4
assign (resid    2 and   name HA   )(resid    3 and   name H    )  3.3 1.2 1.6
assign (resid    2 and   name H    )(resid    4 and   name HA   )  3.7 1.3 1.6
assign (resid    2 and   name HB2  )(resid    4 and   name H    )  3.9 1.2 2  
assign (resid    3 and   name H    )(resid    3 and   name HA   )  3.1 0.8 1.2
assign (resid    3 and   name HA   )(resid    3 and   name HB1  )  3.5 1.3 1.6
assign (resid    3 and   name HA   )(resid    3 and   name HB2  )  3.4 1.3 1.6
assign (resid    3 and   name HA   )(resid    3 and   name HG2  )  3.6 1.3 1.7
assign (resid    3 and   name HB1  )(resid    3 and   name HE21 )  4.6 1.5 2.5
assign (resid    3 and   name HB1  )(resid    3 and   name HG1  )  3.1 0.8 1.4
assign (resid    3 and   name HB2  )(resid    3 and   name HG2  )  2.6 0.6 1.3
assign (resid    3 and   name HG1  )(resid    3 and   name HE21 )  3.9 1.5 1.9
assign (resid    3 and   name HB1  )(resid    4 and   name H    )  3.8 1.2 2.3
assign (resid    3 and   name HB2  )(resid    4 and   name H    )  3.1 0.8 1.5
assign (resid    3 and   name HG1  )(resid    4 and   name H    )  3.9 1.2 2.5
assign (resid    3 and   name HB2  )(resid    9 and   name H    )  3.7 1.0 1.7
assign (resid    3 and   name HB2  )(resid    9 and   name HG2* )  4.5 1.6 2.5
assign (resid    3 and   name HA   )(resid   73 and   name HB*  )  4.5 1.6 2.5  
assign (resid    4 and   name H    )(resid    4 and   name HA   )  3.4 1.3 1.6
assign (resid    4 and   name H    )(resid    4 and   name HB1  )  3.7 1.3 1.7
assign (resid    4 and   name H    )(resid    4 and   name HB2  )  3.7 1.4 1.7
assign (resid    4 and   name H    )(resid    4 and   name HD1* )  3.7 1.2 1.8
assign (resid    4 and   name H    )(resid    4 and   name HD2* )  3.9 1.2 1.9
assign (resid    4 and   name HA   )(resid    4 and   name HD1* )  3.5 1.2 1.7
assign (resid    4 and   name HA   )(resid    4 and   name HD2* )  4.1 1.3 2.1
assign (resid    4 and   name HA   )(resid    4 and   name HG   )  3.9 1.3 1.8
assign (resid    4 and   name HB2  )(resid    4 and   name HD1* )  3.9 1.2 2  
assign (resid    4 and   name HB2  )(resid    4 and   name HD2* )  4.1 1.3 2.1
assign (resid    4 and   name HG   )(resid    4 and   name HD1* )  3.4 1.3 1.6
assign (resid    4 and   name HG   )(resid    4 and   name HD2* )  3.5 1.3 1.6
assign (resid    4 and   name H    )(resid    5 and   name H    )  3.8 1.1 1.9
assign (resid    4 and   name HA   )(resid    5 and   name H    )  3.1 0.9 1.2
assign (resid    4 and   name HD1* )(resid    5 and   name H    )  3.6 1.3 1.8
assign (resid    4 and   name HD1* )(resid    8 and   name H    )  4.2 1.3 2.2  
assign (resid    4 and   name HG   )(resid    8 and   name HA   )  3.9 1.3 2.0
assign (resid    4 and   name HB1  )(resid    9 and   name H    )  3.9 1.3 2.0
assign (resid    4 and   name HB2  )(resid    9 and   name H    )  3.9 1.2 2.0
assign (resid    4 and   name HD2* )(resid   73 and   name HA   )  4.6 1.5 3  
assign (resid    5 and   name H    )(resid    5 and   name HA   )  3.3 1.1 1.2
assign (resid    5 and   name HB   )(resid    5 and   name HG2* )  3.2 1.0 1.1
assign (resid    5 and   name HA   )(resid    6 and   name H    )  3.5 1.3 1.4
assign (resid    5 and   name HA   )(resid    6 and   name HG1  )  4.3 1.3 2.3
assign (resid    5 and   name HA   )(resid    6 and   name HG2  )  3.9 1.2 2.5
assign (resid    5 and   name HG2* )(resid    6 and   name H    )  3.8 1.1 1.9
assign (resid    5 and   name HA   )(resid    7 and   name H    )  3.7 1.2 1.9
assign (resid    5 and   name HB   )(resid    7 and   name H    )  3.5 1.3 1.7
assign (resid    5 and   name HG2* )(resid    7 and   name H    )  3.8 1.1 1.9
assign (resid    5 and   name HG2* )(resid    8 and   name H    )  4.1 1.3 2.2
assign (resid    6 and   name H    )(resid    6 and   name HA   )  3.8 1.1 1.8
assign (resid    6 and   name H    )(resid    6 and   name HG2  )  3.8 1.1 1.8
assign (resid    6 and   name HB2  )(resid    6 and   name HG1  )  2.3 0.3 0.9
assign (resid    6 and   name HB2  )(resid    6 and   name HG2  )  2.2 0.2 0.8
assign (resid    6 and   name H    )(resid    7 and   name H    )  3.1 0.8 1.5
assign (resid    6 and   name H    )(resid    7 and   name HB2  )  3.6 1.3 1.8
assign (resid    6 and   name HB1  )(resid    7 and   name H    )  3.1 0.8 1.5
assign (resid    6 and   name HA   )(resid    9 and   name HD1* )  4.0 1.3 2.0
assign (resid    6 and   name HG1  )(resid    9 and   name HD1* )  4.3 1.3 2.3
assign (resid    7 and   name H    )(resid    7 and   name HA   )  3.5 1.3 1.6
assign (resid    7 and   name H    )(resid    7 and   name HB1  )  3.2 0.9 1.4
assign (resid    7 and   name H    )(resid    7 and   name HG1  )  3.3 1.1 1.5
assign (resid    7 and   name H    )(resid    7 and   name HG2  )  3.3 1.1 1.5
assign (resid    7 and   name HB1  )(resid    7 and   name HG1  )  2.4 0.4 1.4
assign (resid    7 and   name H    )(resid    8 and   name H    )  2.8 0.7 1.3
assign (resid    7 and   name H    )(resid    8 and   name HB2  )  4.1 1.3 2.2
assign (resid    7 and   name HB1  )(resid    8 and   name HB2  )  3.3 0.9 1.6
assign (resid    7 and   name HA   )(resid    9 and   name H    )  3.3 0.9 1.6
assign (resid    7 and   name HA   )(resid   10 and   name HB*  )  3.8 1.1 1.9
assign (resid    8 and   name H    )(resid    8 and   name HA   )  3.1 0.8 1.4
assign (resid    8 and   name H    )(resid    8 and   name HB2  )  3.4 1.3 1.6
assign (resid    8 and   name H    )(resid    9 and   name H    )  3.2 0.9 1.5
assign (resid    8 and   name HA   )(resid   10 and   name HB*  )  4.1 1.3 2.2
assign (resid    8 and   name HA   )(resid   11 and   name H    )  3.1 0.8 1.5
assign (resid    8 and   name HE21 )(resid   11 and   name HG1  )  4.3 1.3 2.3
assign (resid    9 and   name H    )(resid    9 and   name HA   )  3.3 0.9 1.5    
assign (resid    9 and   name H    )(resid    9 and   name HB   )  3.3 1.0 1.5
assign (resid    9 and   name H    )(resid    9 and   name HD1* )  3.9 1.2 1.9
assign (resid    9 and   name H    )(resid    9 and   name HG2* )  4.5 1.5 2.3
assign (resid    9 and   name HA   )(resid    9 and   name HD1* )  4.5 1.4 2.4
assign (resid    9 and   name HA   )(resid    9 and   name HG2* )  4.0 1.4 2.1
assign (resid    9 and   name HB   )(resid    9 and   name HD1* )  3.5 1.1 1.6
assign (resid    9 and   name HB   )(resid    9 and   name HG2* )  3.9 1.3 2.0
assign (resid    9 and   name HG2* )(resid    9 and   name HD1* )  3.5 1.2 1.6    
assign (resid    9 and   name H    )(resid   10 and   name H    )  3 0.8 1.4  
assign (resid    9 and   name HA   )(resid   10 and   name H    )  4.3 1.3 2.3
assign (resid    9 and   name HB   )(resid   10 and   name H    )  3.6 1.2 1.9
assign (resid    9 and   name HD1* )(resid   10 and   name H    )  4.2 1.4 2.2
assign (resid    9 and   name HG2* )(resid   10 and   name H    )  4.2 1.3 2.3
assign (resid    9 and   name HA   )(resid   12 and   name H    )  4.5 1.4 2.5
assign (resid    9 and   name HA   )(resid   12 and   name HE2  )  4.0 1.1 2.0
assign (resid    9 and   name HA   )(resid   13 and   name HB2  )  3.7 1.2 2.4
assign (resid    9 and   name HG2* )(resid   13 and   name H    )  4.2 1.4 2.2  
assign (resid    9 and   name HG2* )(resid   65 and   name HE1  )  4.2 1.4 2.2  
assign (resid    9 and   name HA   )(resid   69 and   name HD1* )  4.2 1.4 2.2  
assign (resid    9 and   name HD1* )(resid   69 and   name HD1* )  3.7 0.9 2.1
assign (resid    9 and   name HG2* )(resid   69 and   name HD1* )  4.1 1.4 2.1  
assign (resid   10 and   name H    )(resid   10 and   name HA   )  3.3 1.0 1.4
assign (resid   10 and   name H    )(resid   10 and   name HB*  )  3.5 1.1 1.7
assign (resid   10 and   name HA   )(resid   10 and   name HB*  )  3.2 1.0 1.3
assign (resid   10 and   name HA   )(resid   11 and   name HB2  )  3.7 1.3 1.9
assign (resid   10 and   name HB*  )(resid   11 and   name H    )  3.5 1.2 1.6  
assign (resid   10 and   name HB*  )(resid   11 and   name HA   )  4.3 1.3 2.3
assign (resid   10 and   name H    )(resid   12 and   name H    )  3.7 1.2 1.9
assign (resid   10 and   name HA   )(resid   13 and   name H    )  3.5 1.3 1.5
assign (resid   10 and   name HA   )(resid   13 and   name HD1  )  4.2 1.3 2.3
assign (resid   10 and   name HB*  )(resid   13 and   name H    )  3.7 1.2 1.9
assign (resid   10 and   name HB*  )(resid   14 and   name HG1  )  4.1 1.4 2.1
assign (resid   11 and   name H    )(resid   12 and   name H    )  2.9 0.8 1.3
assign (resid   11 and   name HB2  )(resid   12 and   name H    )  3.2 0.9 1.4
assign (resid   11 and   name HA   )(resid   13 and   name HD2  )  4.3 1.2 2.3
assign (resid   11 and   name HA   )(resid   14 and   name H    )  2.7 0.7 1.2
assign (resid   11 and   name HA   )(resid   14 and   name HB2  )  2.6 0.6 1.2
assign (resid   11 and   name HA   )(resid   14 and   name HG1  )  2.7 0.7 1.2
assign (resid   11 and   name HB2  )(resid   14 and   name H    )  3.5 0.9 1.6  
assign (resid   11 and   name HG1  )(resid   14 and   name H    )  3.4 0.8 1.5
assign (resid   12 and   name H    )(resid   12 and   name HA   )  4.2 1.3 2.2
assign (resid   12 and   name H    )(resid   12 and   name HD2  )  3.7 1.1 1.8
assign (resid   12 and   name H    )(resid   12 and   name HE2  )  4 1.2 2    
assign (resid   12 and   name HA   )(resid   12 and   name HB2  )  4.1 1.3 2.1
assign (resid   12 and   name HA   )(resid   12 and   name HD1  )  3.3 1.2 1.4  
assign (resid   12 and   name H    )(resid   13 and   name H    )  3.0 0.8 1.5
assign (resid   12 and   name HA   )(resid   15 and   name H    )  4.4 1.4 2.4
assign (resid   12 and   name HA   )(resid   15 and   name HB*  )  4.1 1.4 2.1
assign (resid   12 and   name HD1  )(resid   15 and   name H    )  4.1 1.3 2.2
assign (resid   12 and   name HE1  )(resid   15 and   name HB*  )  3.7 1.2 1.9
assign (resid   12 and   name HD2  )(resid   65 and   name HE1  )  3.5 1.1 2.1
assign (resid   12 and   name H    )(resid   69 and   name HD1* )  4.6 1.5 2.5  
assign (resid   12 and   name HD2  )(resid   69 and   name HD2* )  4.1 1.5 2.6
assign (resid   12 and   name HE2  )(resid   69 and   name HD1* )  4.1 1.1 2.2
assign (resid   12 and   name HE2  )(resid   69 and   name HG   )  3.7 1.3 1.8
assign (resid   12 and   name HE1  )(resid   72 and   name HE*  )  3.5 1.3 1.6
assign (resid   13 and   name H    )(resid   13 and   name HA   )  3.0 1.3 1.1    
assign (resid   13 and   name H    )(resid   13 and   name HB2  )  3.1 0.9 1.0
assign (resid   13 and   name H    )(resid   13 and   name HG1  )  4.2 1.3 2.2
assign (resid   13 and   name HA   )(resid   13 and   name HD1  )  4.3 1.3 2.2
assign (resid   13 and   name HB2  )(resid   13 and   name HD1  )  3.6 1.3 1.7
assign (resid   13 and   name HB2  )(resid   13 and   name HG1  )  3.5 1.3 1.6
assign (resid   13 and   name HD2  )(resid   13 and   name HE1  )  3.3 1.3 1.4
assign (resid   13 and   name HG1  )(resid   13 and   name HD1  )  3.3 0.9 1.5
assign (resid   13 and   name HG1  )(resid   13 and   name HD2  )  3.3 1.3 1.5
assign (resid   13 and   name H    )(resid   14 and   name H    )  3.0 0.8 1.4
assign (resid   13 and   name H    )(resid   15 and   name H    )  4.4 1.4 2.4
assign (resid   13 and   name HB2  )(resid   68 and   name HD1  )  4.3 1.3 2.9
assign (resid   13 and   name H    )(resid   69 and   name HD1* )  4.2 1.3 2.9
assign (resid   14 and   name H    )(resid   14 and   name HA   )  2.9 0.8 1.4
assign (resid   14 and   name HA   )(resid   17 and   name H    )  3.3 0.9 1.6
assign (resid   15 and   name H    )(resid   15 and   name HA   )  3.3 0.9 1.5
assign (resid   15 and   name H    )(resid   15 and   name HB*  )  3.0 0.8 1.0
assign (resid   15 and   name HA   )(resid   15 and   name HB*  )  3.8 1.2 1.8    
assign (resid   15 and   name H    )(resid   16 and   name H    )  3.2 0.9 1.5
assign (resid   15 and   name HB*  )(resid   16 and   name H    )  3.7 1.2 1.7
assign (resid   15 and   name HA   )(resid   18 and   name H    )  4.1 1.3 2.2
assign (resid   15 and   name HA   )(resid   18 and   name HD1* )  3.7 1.4 1.7
assign (resid   15 and   name HA   )(resid   18 and   name HD2* )  4.5 1.4 2.5
assign (resid   15 and   name HB*  )(resid   18 and   name HD1* )  3.8 1.1 1.9
assign (resid   15 and   name HA   )(resid   19 and   name HD2  )  4.0 1.3 2.1
assign (resid   15 and   name HB*  )(resid   68 and   name HE1  )  3.6 1.3 2.4
assign (resid   16 and   name H    )(resid   16 and   name HA   )  3.1 0.9 1.0
assign (resid   16 and   name H    )(resid   16 and   name HD2  )  4.1 1.3 2.1
assign (resid   16 and   name HA   )(resid   16 and   name HD2  )  3.2 1.1 1.3
assign (resid   16 and   name HB2  )(resid   16 and   name HD2  )  3.9 1.2 1.9
assign (resid   16 and   name HA   )(resid   17 and   name H    )  3.2 1.0 1.3
assign (resid   16 and   name HA   )(resid   17 and   name HB1  )  4.4 1.4 2.4
assign (resid   16 and   name H    )(resid   18 and   name H    )  4.1 1.3 2.1
assign (resid   16 and   name HA   )(resid   19 and   name HD2  )  3.6 1.3 1.6
assign (resid   16 and   name HA   )(resid   19 and   name HE2  )  3.3 1.1 1.4
assign (resid   16 and   name HD2  )(resid   19 and   name HD2  )  3.3 1.2 1.6
assign (resid   16 and   name HE2  )(resid   19 and   name HD2  )  3.2 0.9 1.3
assign (resid   16 and   name HA   )(resid   27 and   name HD1* )  4.1 1.3 2.2  
assign (resid   16 and   name HD2  )(resid   27 and   name HD1* )  4.2 1.3 2.5
assign (resid   16 and   name HB1  )(resid   65 and   name HE1  )  4.4 1.4 3  
assign (resid   16 and   name HA   )(resid   68 and   name HE1  )  3.7 1.1 2.5
assign (resid   16 and   name HD2  )(resid   68 and   name HD1  )  2.8 0.8 1.9
assign (resid   16 and   name HE2  )(resid   68 and   name HB2  )  3.9 1.1 1.9
assign (resid   17 and   name H    )(resid   17 and   name HB1  )  3.0 0.9 1.0  
assign (resid   17 and   name HA   )(resid   17 and   name HB1  )  3.3 1.1 1.4
assign (resid   17 and   name H    )(resid   18 and   name H    )  3.2 0.9 1.5
assign (resid   18 and   name H    )(resid   18 and   name HA   )  2.8 0.6 0.9
assign (resid   18 and   name H    )(resid   18 and   name HB1  )  3.9 1.2 1.8    
assign (resid   18 and   name H    )(resid   18 and   name HB2  )  3.0 0.8 0.9
assign (resid   18 and   name H    )(resid   18 and   name HD1* )  3.9 1.2 1.9
assign (resid   18 and   name H    )(resid   18 and   name HD2* )  4.1 1.3 2.1
assign (resid   18 and   name HA   )(resid   18 and   name HB1  )  3.8 1.1 1.8
assign (resid   18 and   name HA   )(resid   18 and   name HB2  )  3.6 1.1 1.8
assign (resid   18 and   name HA   )(resid   18 and   name HD1* )  4.3 1.3 2.2
assign (resid   18 and   name HA   )(resid   18 and   name HD2* )  3.8 1.4 1.7
assign (resid   18 and   name HB2  )(resid   18 and   name HD2* )  4.1 1.3 2.1
assign (resid   18 and   name H    )(resid   19 and   name H    )  3.1 0.8 1.5
assign (resid   18 and   name HB1  )(resid   19 and   name H    )  4.3 1.3 2.3
assign (resid   18 and   name HB2  )(resid   19 and   name H    )  4.5 1.5 2.7
assign (resid   18 and   name H    )(resid   20 and   name H    )  3.5 1.3 1.7
assign (resid   18 and   name HD2* )(resid   39 and   name HD1* )  4.4 1.5 2.4
assign (resid   19 and   name H    )(resid   19 and   name HA   )  2.9 0.7 1.1
assign (resid   19 and   name HA   )(resid   19 and   name HB1  )  2.6 0.4 0.9
assign (resid   19 and   name HB1  )(resid   19 and   name HD1  )  3.7 1.2 1.9
assign (resid   19 and   name HB1  )(resid   19 and   name HE1  )  4.1 1.3 2.1
assign (resid   19 and   name H    )(resid   20 and   name H    )  2.9 0.4 0.9
assign (resid   19 and   name HA   )(resid   20 and   name H    )  3.5 1.3 1.0
assign (resid   19 and   name H    )(resid   21 and   name HA   )  4.3 1.3 2.3
assign (resid   19 and   name HD2  )(resid   27 and   name HD1* )  3.7 1.3 2.0  
assign (resid   19 and   name HE2  )(resid   27 and   name HG2* )  4.4 1.4 2.5
assign (resid   19 and   name HB1  )(resid   28 and   name H    )  3.8 1.1 2.1
assign (resid   19 and   name HD1  )(resid   32 and   name HA   )  3.7 1.4 1.8  
assign (resid   19 and   name HE1  )(resid   32 and   name HA   )  4.3 1.5 2.3
assign (resid   19 and   name HD1  )(resid   35 and   name HG2* )  3.8 1.1 2.2
assign (resid   19 and   name HE1  )(resid   35 and   name HB   )  3.6 1.3 2.1
assign (resid   19 and   name HE1  )(resid   35 and   name HG1* )  3.5 1.2 2.5
assign (resid   19 and   name HE1  )(resid   35 and   name HG2* )  3.8 1.1 1.4
assign (resid   19 and   name HZ   )(resid   36 and   name H    )  4.3 1.5 2.3  
assign (resid   19 and   name HZ   )(resid   36 and   name HA   )  4.3 1.5 2.3  
assign (resid   19 and   name HE1  )(resid   36 and   name HE*  )  3.9 1.2 2.3
assign (resid   19 and   name HE1  )(resid   39 and   name HD2* )  3.9 1.3 2.1
assign (resid   19 and   name HZ   )(resid   68 and   name HD2  )  3.7 1.2 1.6
assign (resid   20 and   name H    )(resid   20 and   name HA   )  3.0 0.5 0.7
assign (resid   20 and   name H    )(resid   20 and   name HB1  )  3.2 1.0 1.0
assign (resid   20 and   name HA   )(resid   21 and   name H    )  2.7 0.4 0.6  
assign (resid   20 and   name H    )(resid   27 and   name HD1* )  4.3 1.4 2.1
assign (resid   20 and   name HA   )(resid   27 and   name HD1* )  4.6 1.9 2.6  
assign (resid   21 and   name H    )(resid   21 and   name HA   )  2.6 0.4 0.6
assign (resid   21 and   name H    )(resid   21 and   name HB1  )  3.1 0.9 1.4
assign (resid   21 and   name H    )(resid   21 and   name HD1  )  3.4 1.3 1.6
assign (resid   21 and   name HA   )(resid   21 and   name HB1  )  2.8 0.7 1.0
assign (resid   21 and   name HA   )(resid   21 and   name HD1  )  3.5 1.3 1.6
assign (resid   21 and   name HA   )(resid   22 and   name H    )  3.5 1.3 1.2
assign (resid   21 and   name HE1  )(resid   23 and   name H    )  3.8 1.1 1.9
assign (resid   21 and   name H    )(resid   31 and   name HG1  )  4.1 1.2 2.1
assign (resid   21 and   name HE2  )(resid   34 and   name HG2* )  4.3 1.5 2.5
assign (resid   22 and   name H    )(resid   22 and   name HA   )  2.9 0.6 1.0
assign (resid   22 and   name HA   )(resid   22 and   name HB1  )  2.8 0.6 1.0
assign (resid   22 and   name HA   )(resid   22 and   name HB2  )  2.9 0.7 1.0
assign (resid   22 and   name H    )(resid   23 and   name H    )  2.5 0.3 0.4
assign (resid   22 and   name HA   )(resid   23 and   name HA1  )  4.2 1.3 2.1
assign (resid   22 and   name H    )(resid   24 and   name H    )  3.1 0.8 1.5
assign (resid   22 and   name HB2  )(resid   24 and   name HA   )  3.4 1.2 1.5
assign (resid   23 and   name H    )(resid   24 and   name H    )  2.6 0.5 0.6
assign (resid   24 and   name H    )(resid   24 and   name HB2  )  3.7 1.1 1.6
assign (resid   24 and   name HA   )(resid   24 and   name HB1  )  3.7 1.1 1.6
assign (resid   24 and   name HA   )(resid   24 and   name HB2  )  2.7 0.5 0.7
assign (resid   24 and   name H    )(resid   25 and   name H    )  2.6 0.4 0.5
assign (resid   24 and   name H    )(resid   26 and   name H    )  3.1 0.8 1.5
assign (resid   25 and   name H    )(resid   25 and   name HA1  )  2.9 0.7 1.0
assign (resid   25 and   name H    )(resid   25 and   name HA2  )  2.9 0.7 1.0
assign (resid   25 and   name H    )(resid   26 and   name H    )  2.6 0.5 0.6
assign (resid   25 and   name HA1  )(resid   26 and   name H    )  3.2 0.9 1.0
assign (resid   25 and   name HA2  )(resid   26 and   name H    )  3.0 0.7 0.9
assign (resid   26 and   name H    )(resid   26 and   name HA   )  4.2 1.3 2.2
assign (resid   26 and   name H    )(resid   26 and   name HB   )  3.8 1.2 1.4
assign (resid   26 and   name H    )(resid   26 and   name HG2* )  3.5 1.3 1.7
assign (resid   26 and   name HA   )(resid   26 and   name HB   )  3.9 1.3 1.6
assign (resid   26 and   name HA   )(resid   26 and   name HG2* )  3.8 1.2 1.4  
assign (resid   26 and   name HB   )(resid   26 and   name HG2* )  3.2 1.0 1.5    
assign (resid   26 and   name HA   )(resid   27 and   name H    )  3.2 1.0 1.4
assign (resid   26 and   name HB   )(resid   27 and   name H    )  3.8 1.3 1.5
assign (resid   26 and   name HG2* )(resid   27 and   name H    )  4.9 1.6 2.9
assign (resid   26 and   name HB   )(resid   62 and   name HB   )  3.9 1.3 1.7
assign (resid   26 and   name HB   )(resid   63 and   name H    )  4.4 1.4 2.4
assign (resid   27 and   name H    )(resid   27 and   name HD1* )  4.5 1.6 2.5
assign (resid   27 and   name H    )(resid   27 and   name HG2* )  4.6 1.5 2.5  
assign (resid   27 and   name HA   )(resid   27 and   name HG2* )  3.9 1.0 1.9
assign (resid   27 and   name HB   )(resid   27 and   name HG12 )  3.4 1.3 1.6
assign (resid   27 and   name HB   )(resid   27 and   name HG2* )  3.9 1.7 2.0  
assign (resid   27 and   name HG2* )(resid   27 and   name HD1* )  4.0 1.3 2.0
assign (resid   27 and   name HA   )(resid   28 and   name H    )  3.5 1.4 1.9
assign (resid   27 and   name HG2* )(resid   28 and   name H    )  4.1 1.3 2.2
assign (resid   27 and   name HG2* )(resid   28 and   name HG2* )  5.6 2.3 3  
assign (resid   27 and   name HG2* )(resid   31 and   name H    )  4.1 1.3 2.3
assign (resid   27 and   name HG2* )(resid   32 and   name H    )  4.1 1.2 2.3
assign (resid   27 and   name HG2* )(resid   32 and   name HA   )  3.7 1.1 1.6
assign (resid   27 and   name HG2* )(resid   32 and   name HB2  )  4.0 1.3 2.0
assign (resid   27 and   name HG2* )(resid   34 and   name HB   )  4.8 1.6 2.9
assign (resid   27 and   name HG2* )(resid   35 and   name HB   )  4.7 1.5 2.8
assign (resid   27 and   name HB   )(resid   52 and   name HD1* )  3.7 1.0 1.6
assign (resid   27 and   name H    )(resid   63 and   name H    )  3.8 1.2 1.7
assign (resid   27 and   name HD1* )(resid   63 and   name HG2* )  4.0 1.2 2.0    
assign (resid   27 and   name HG2* )(resid   63 and   name HB   )  3.9 1.1 1.8
assign (resid   27 and   name HD1* )(resid   68 and   name HD2  )  3.8 1.1 1.7
assign (resid   27 and   name HD1* )(resid   68 and   name HE2  )  4.0 1.2 2.0
assign (resid   28 and   name H    )(resid   28 and   name HG2* )  3.9 1.3 1.8
assign (resid   28 and   name HA   )(resid   28 and   name HG2* )  3.0 0.7 1.0
assign (resid   28 and   name HA   )(resid   29 and   name H    )  2.5 0.3 0.5
assign (resid   28 and   name HG2* )(resid   29 and   name H    )  3.5 1.3 1.7
assign (resid   28 and   name HG2* )(resid   30 and   name H    )  3.8 1.1 1.9
assign (resid   28 and   name H    )(resid   31 and   name H    )  3.7 1.1 1.9
assign (resid   28 and   name HA   )(resid   62 and   name HG2* )  4.1 1.3 2.0
assign (resid   28 and   name HA   )(resid   63 and   name H    )  3.9 1.2 2.4
assign (resid   29 and   name H    )(resid   29 and   name HA   )  3.0 0.8 1.4
assign (resid   29 and   name H    )(resid   29 and   name HB   )  3.6 1.3 1.5
assign (resid   29 and   name HA   )(resid   29 and   name HB   )  3.4 1.3 1.4
assign (resid   29 and   name HB   )(resid   29 and   name HG2* )  3.4 1.3 1.4
assign (resid   29 and   name H    )(resid   30 and   name H    )  3.1 0.7 1.1
assign (resid   29 and   name HA   )(resid   32 and   name H    )  4.3 1.5 2.2
assign (resid   29 and   name HA   )(resid   32 and   name HD2* )  4.5 1.4 2.5
assign (resid   29 and   name HG2* )(resid   49 and   name H    )  3.9 1.2 2.3
assign (resid   29 and   name HG2* )(resid   49 and   name HA   )  3.5 1.1 1.5
assign (resid   29 and   name HG2* )(resid   49 and   name HB2  )  4.4 1.4 2.7
assign (resid   29 and   name HG2* )(resid   49 and   name HG2  )  4.4 1.4 2.7
assign (resid   29 and   name H    )(resid   52 and   name HD1* )  4.0 1.4 2.0
assign (resid   29 and   name HA   )(resid   52 and   name HD1* )  3.9 1.3 1.9
assign (resid   29 and   name HG2* )(resid   52 and   name H    )  4.8 1.5 2.8  
assign (resid   29 and   name HG2* )(resid   52 and   name HD1* )  3.9 1.2 1.8
assign (resid   30 and   name H    )(resid   30 and   name HA   )  2.9 0.6 0.8
assign (resid   30 and   name H    )(resid   30 and   name HB1  )  2.9 0.6 0.8
assign (resid   30 and   name H    )(resid   30 and   name HG1  )  3.9 1.3 1.9  
assign (resid   30 and   name HA   )(resid   30 and   name HB1  )  3.4 1 1.6  
assign (resid   30 and   name HA   )(resid   30 and   name HD1  )  3.5 1.3 1.6
assign (resid   30 and   name HA   )(resid   30 and   name HE2  )  3.8 1.5 1.7
assign (resid   30 and   name HB2  )(resid   30 and   name HG1  )  3.3 0.9 1.5
assign (resid   30 and   name HD2  )(resid   30 and   name HE2  )  2.8 0.7 1.2
assign (resid   30 and   name HG1  )(resid   30 and   name HD2  )  2.4 0.3 0.5
assign (resid   30 and   name HG1  )(resid   30 and   name HE2  )  2.9 0.7 1.0
assign (resid   30 and   name HB1  )(resid   31 and   name H    )  3.1 0.8 1.5
assign (resid   30 and   name HD1  )(resid   45 and   name HG2  )  3.7 1.2 2.1    
assign (resid   30 and   name HA   )(resid   48 and   name HD1* )  4.1 1.3 2.5
assign (resid   30 and   name HA   )(resid   48 and   name HG   )  3.7 1.4 2.2
assign (resid   30 and   name HE2  )(resid   48 and   name HD1* )  4.2 1.3 2.6
assign (resid   30 and   name HE2  )(resid   48 and   name HG   )  3.5 1.3 2.0
assign (resid   31 and   name H    )(resid   31 and   name HG1  )  3.0 0.8 1.0
assign (resid   31 and   name H    )(resid   32 and   name H    )  3.1 0.8 1.0
assign (resid   31 and   name HA   )(resid   32 and   name H    )  3.1 0.8 1.0
assign (resid   31 and   name H    )(resid   33 and   name H    )  4.0 1.4 2.0
assign (resid   31 and   name HA   )(resid   33 and   name H    )  3.2 0.9 1.1
assign (resid   32 and   name H    )(resid   32 and   name HB1  )  2.9 0.6 0.8
assign (resid   32 and   name HA   )(resid   32 and   name HD2* )  3.9 1.2 1.9
assign (resid   32 and   name HB2  )(resid   32 and   name HD2* )  3.9 1.2 1.9
assign (resid   32 and   name HB1  )(resid   33 and   name H    )  3.6 1.2 1.5
assign (resid   32 and   name HD2* )(resid   33 and   name HA2  )  4.7 1.5 2.7
assign (resid   32 and   name HA   )(resid   35 and   name H    )  4.0 1.2 2.0
assign (resid   32 and   name HA   )(resid   35 and   name HB   )  3.5 1.3 1.5
assign (resid   32 and   name HA   )(resid   36 and   name HB2  )  3.6 1.1 1.6
assign (resid   32 and   name HA   )(resid   36 and   name HE*  )  3.9 1.2 2.1
assign (resid   32 and   name HD2* )(resid   36 and   name HG2  )  4.0 1.5 2.3
assign (resid   32 and   name HD1* )(resid   48 and   name HG   )  4.1 1.3 2.1
assign (resid   32 and   name HD2* )(resid   48 and   name HG   )  4.0 1.3 2.2
assign (resid   32 and   name HD1* )(resid   48 and   name HA   )  3.6 1.2 2.7
assign (resid   32 and   name HB2  )(resid   51 and   name H    )  4.1 1.3 2.5
assign (resid   32 and   name HD1* )(resid   51 and   name H    )  4.0 1.2 2.0  
assign (resid   32 and   name HD1* )(resid   51 and   name HB2  )  3.8 1.3 1.9
assign (resid   32 and   name HD1* )(resid   51 and   name HE*  )  4.5 1.3 2.5
assign (resid   32 and   name HD1* )(resid   51 and   name HG2  )  4.5 1.5 2.9
assign (resid   32 and   name HD2* )(resid   51 and   name HG1  )  4.6 1.5 2.9
assign (resid   32 and   name HD2* )(resid   52 and   name HD1* )  4.2 1.3 2.3  
assign (resid   33 and   name H    )(resid   33 and   name HA1  )  3.2 1.0 1.2
assign (resid   33 and   name H    )(resid   33 and   name HA2  )  3.0 0.7 0.9
assign (resid   33 and   name H    )(resid   34 and   name H    )  2.9 0.6 0.8
assign (resid   33 and   name HA1  )(resid   48 and   name HD1* )  3.5 1.2 1.6
assign (resid   33 and   name HA2  )(resid   48 and   name HD2* )  4.5 1.5 2.7
assign (resid   34 and   name H    )(resid   34 and   name HA   )  2.7 0.5 0.6
assign (resid   34 and   name H    )(resid   34 and   name HB   )  2.7 0.5 0.6
assign (resid   34 and   name H    )(resid   34 and   name HG2* )  3.6 1.3 1.7
assign (resid   34 and   name HA   )(resid   34 and   name HG2* )  3.3 1.0 1.4    
assign (resid   34 and   name HB   )(resid   34 and   name HG2* )  2.8 0.6 0.9
assign (resid   34 and   name H    )(resid   35 and   name H    )  3.0 0.8 1.0
assign (resid   34 and   name H    )(resid   35 and   name HA   )  4.1 1.3 2.2
assign (resid   34 and   name HA   )(resid   35 and   name H    )  4.8 1.6 2.8
assign (resid   34 and   name HB   )(resid   35 and   name H    )  3.2 1.1 1.2  
assign (resid   34 and   name HG2* )(resid   35 and   name H    )  3.9 1.2 2.5
assign (resid   34 and   name HG2* )(resid   35 and   name HG2* )  4.9 2.0 2.7  
assign (resid   34 and   name HA   )(resid   37 and   name H    )  4.0 1.3 2.0
assign (resid   34 and   name HB   )(resid   38 and   name H    )  3.8 1.2 1.8
assign (resid   34 and   name H    )(resid   48 and   name HD1* )  4.8 1.6 3  
assign (resid   35 and   name H    )(resid   35 and   name HA   )  3.3 1.1 1.2
assign (resid   35 and   name H    )(resid   35 and   name HB   )  2.8 0.6 0.7
assign (resid   35 and   name H    )(resid   35 and   name HG2* )  3.5 1.3 1.6
assign (resid   35 and   name HA   )(resid   35 and   name HG2* )  3.5 1.3 1.6    
assign (resid   35 and   name HB   )(resid   35 and   name HG1* )  3.4 1.2 1.6
assign (resid   35 and   name HB   )(resid   35 and   name HG2* )  3.1 0.9 1.1    
assign (resid   35 and   name H    )(resid   36 and   name H    )  3.2 0.8 1.2
assign (resid   35 and   name HG1* )(resid   36 and   name HE*  )  3.6 1.3 1.8
assign (resid   35 and   name HG2* )(resid   36 and   name H    )  4.6 1.5 2.6
assign (resid   35 and   name HG2* )(resid   36 and   name HE*  )  4.8 1.6 2.8
assign (resid   35 and   name HB   )(resid   38 and   name H    )  3.5 0.9 1.7
assign (resid   35 and   name HG1* )(resid   38 and   name H    )  3.9 1.1 1.9
assign (resid   35 and   name HG2* )(resid   38 and   name H    )  4.0 1.2 2.0  
assign (resid   35 and   name HA   )(resid   39 and   name HD2* )  4.1 1.3 2.2
assign (resid   35 and   name HG2* )(resid   39 and   name HD1* )  4.5 1.1 2.5
assign (resid   35 and   name HG1* )(resid   68 and   name HE2  )  3.9 1.1 2.1
assign (resid   36 and   name H    )(resid   36 and   name HA   )  3.1 1.1 1.1
assign (resid   36 and   name H    )(resid   36 and   name HE*  )  4.0 1.3 2.0
assign (resid   36 and   name H    )(resid   36 and   name HG2  )  3.9 1.5 1.9
assign (resid   36 and   name HG2  )(resid   36 and   name HE*  )  4.1 1.3 2.1
assign (resid   36 and   name H    )(resid   37 and   name HB2  )  3.6 1.3 1.8
assign (resid   36 and   name HA   )(resid   37 and   name H    )  2.9 0.8 1.3
assign (resid   36 and   name H    )(resid   39 and   name HD2* )  4.2 1.3 2.3
assign (resid   36 and   name HE*  )(resid   41 and   name HB2  )  4.2 1.4 2.2
assign (resid   36 and   name HG2  )(resid   41 and   name HB2  )  3.9 1.1 2.0
assign (resid   36 and   name HB1  )(resid   43 and   name HA   )  3.8 1.1 2.0
assign (resid   36 and   name HG1  )(resid   51 and   name HG2  )  3.3 1.3 1.4
assign (resid   36 and   name HG1  )(resid   51 and   name HE*  )  3.8 1.3 2.0
assign (resid   36 and   name HG2  )(resid   51 and   name HG1  )  3.5 1.1 1.6  
assign (resid   36 and   name HE*  )(resid   68 and   name HE2  )  4.1 1.5 2.1
assign (resid   36 and   name HE*  )(resid   71 and   name HE*  )  4.3 1.5 2.3
assign (resid   36 and   name HE*  )(resid   72 and   name HE*  )  4.4 1.4 2.9
assign (resid   37 and   name H    )(resid   37 and   name HA   )  3.9 1.2 1.9
assign (resid   37 and   name H    )(resid   37 and   name HD2  )  4.1 1.3 2.1
assign (resid   37 and   name HA   )(resid   37 and   name HB2  )  3.5 1.1 1.6
assign (resid   37 and   name H    )(resid   38 and   name H    )  2.6 0.5 0.6
assign (resid   37 and   name HD1  )(resid   38 and   name H    )  4.4 1.4 2.5
assign (resid   37 and   name HD2  )(resid   41 and   name HB2  )  3.3 1.1 1.5
assign (resid   37 and   name H    )(resid   43 and   name HB1  )  3.6 1.2 1.7
assign (resid   37 and   name HD2  )(resid   43 and   name HB1  )  3.7 1.1 2  
assign (resid   38 and   name H    )(resid   38 and   name HB1  )  3.3 0.9 1.2
assign (resid   38 and   name H    )(resid   38 and   name HB2  )  3.1 0.9 1.1
assign (resid   38 and   name HA   )(resid   39 and   name HD1* )  4.9 1.6 2.9
assign (resid   38 and   name HB1  )(resid   39 and   name HA   )  4.1 1.3 2.2
assign (resid   39 and   name HA   )(resid   39 and   name HD1* )  3.8 1.1 1.8
assign (resid   39 and   name HA   )(resid   39 and   name HD2* )  3.3 1.3 1.4
assign (resid   39 and   name HG   )(resid   39 and   name HD1* )  2.8 0.6 0.9
assign (resid   39 and   name HG   )(resid   39 and   name HD2* )  2.8 0.6 0.9
assign (resid   39 and   name H    )(resid   40 and   name H    )  3.0 0.8 1.0
assign (resid   39 and   name HD2* )(resid   40 and   name H    )  4.0 1.2 2  
assign (resid   39 and   name HA   )(resid   41 and   name HG2  )  3.9 1.2 1.8  
assign (resid   39 and   name HB2  )(resid   41 and   name H    )  4.1 1.3 2.1
assign (resid   39 and   name HD2* )(resid   72 and   name HE*  )  4.1 1.3 2.6
assign (resid   40 and   name H    )(resid   40 and   name HA1  )  2.5 0.3 0.5
assign (resid   40 and   name H    )(resid   40 and   name HA2  )  3.2 0.9 1.4
assign (resid   40 and   name HA2  )(resid   41 and   name H    )  3.6 1.1 1.6
assign (resid   41 and   name H    )(resid   41 and   name HA   )  3.0 0.7 1.0
assign (resid   41 and   name H    )(resid   41 and   name HG2  )  3.4 1.2 1.6
assign (resid   41 and   name HB2  )(resid   41 and   name HG1  )  3.5 1.3 1.6
assign (resid   41 and   name HA   )(resid   42 and   name H    )  3.3 1.0 1.2
assign (resid   41 and   name HB2  )(resid   42 and   name HA   )  4.5 1.5 2.4
assign (resid   42 and   name H    )(resid   42 and   name HB1  )  4.0 1.3 2.0
assign (resid   42 and   name H    )(resid   42 and   name HB2  )  4.0 1.4 2.0
assign (resid   42 and   name HA   )(resid   42 and   name HB1  )  3.9 1.3 1.8    
assign (resid   42 and   name HA   )(resid   42 and   name HB2  )  3.9 1.3 1.8
assign (resid   42 and   name HB1  )(resid   42 and   name HD21 )  2.9 0.7 0.8
assign (resid   42 and   name HB1  )(resid   42 and   name HD22 )  3.7 1.4 1.6
assign (resid   42 and   name HB2  )(resid   42 and   name HD21 )  2.9 0.7 0.8
assign (resid   42 and   name HB2  )(resid   42 and   name HD22 )  3.5 1.3 1.6
assign (resid   42 and   name HA   )(resid   43 and   name HD1  )  3.6 1.3 2.0
assign (resid   42 and   name HA   )(resid   43 and   name HD2  )  3.6 1.3 2.0  
assign (resid   43 and   name HG2  )(resid   43 and   name HD2  )  3.8 1.3 1.8
assign (resid   43 and   name HA   )(resid   44 and   name H    )  2.6 0.4 0.7
assign (resid   43 and   name HA   )(resid   47 and   name HB2  )  3.8 1.1 2.6
assign (resid   43 and   name HB1  )(resid   47 and   name HA   )  3.7 0.9 1.8
assign (resid   43 and   name HB2  )(resid   51 and   name HG1  )  4.0 1.1 2.0
assign (resid   43 and   name HB2  )(resid   51 and   name HG2  )  3.5 1.3 1.8
assign (resid   44 and   name H    )(resid   44 and   name HG2* )  3.2 0.8 1.4
assign (resid   44 and   name HA   )(resid   44 and   name HG2* )  3.1 0.8 1.2
assign (resid   44 and   name HA   )(resid   45 and   name H    )  3.2 0.9 1.5
assign (resid   44 and   name HB   )(resid   45 and   name H    )  3.5 1.3 1.7
assign (resid   44 and   name HG2* )(resid   45 and   name HB2  )  4.1 1.3 2.2
assign (resid   44 and   name HG2* )(resid   45 and   name HG1  )  4.2 1.3 2.3
assign (resid   44 and   name H    )(resid   47 and   name H    )  3.3 0.9 1.4
assign (resid   44 and   name H    )(resid   47 and   name HG1  )  3.1 1.0 1.6
assign (resid   45 and   name H    )(resid   45 and   name HA   )  3.0 0.7 1.0
assign (resid   45 and   name H    )(resid   45 and   name HB2  )  2.6 0.4 0.5
assign (resid   45 and   name H    )(resid   45 and   name HG1  )  2.8 0.6 0.7
assign (resid   45 and   name H    )(resid   46 and   name H    )  2.9 0.7 0.8
assign (resid   45 and   name HB2  )(resid   46 and   name H    )  3.1 0.8 1.5
assign (resid   45 and   name HG1  )(resid   46 and   name H    )  3.3 0.9 1.5
assign (resid   46 and   name H    )(resid   46 and   name HA   )  3.4 1.3 1.6
assign (resid   46 and   name H    )(resid   46 and   name HB*  )  2.9 0.8 1.2
assign (resid   46 and   name HA   )(resid   46 and   name HB*  )  3.1 0.6 1.0
assign (resid   46 and   name H    )(resid   47 and   name H    )  2.8 0.6 0.7
assign (resid   46 and   name HB*  )(resid   47 and   name H    )  3.2 0.9 1.2
assign (resid   47 and   name H    )(resid   47 and   name HG2  )  3.0 0.7 0.8
assign (resid   47 and   name HA   )(resid   47 and   name HB2  )  3.0 0.8 1.0
assign (resid   47 and   name H    )(resid   48 and   name H    )  2.9 0.7 0.9
assign (resid   47 and   name HA   )(resid   48 and   name H    )  3.4 1.1 1.6
assign (resid   47 and   name HB1  )(resid   48 and   name H    )  3.6 1.2 1.7
assign (resid   47 and   name HB2  )(resid   48 and   name HD1* )  3.8 1.2 2.4
assign (resid   47 and   name HA   )(resid   50 and   name HB1  )  3.8 1.1 1.9
assign (resid   47 and   name HA   )(resid   51 and   name HE*  )  3.6 1.3 1.9
assign (resid   47 and   name HB1  )(resid   51 and   name HA   )  3.6 1.3 1.9
assign (resid   48 and   name H    )(resid   48 and   name HD1* )  3.5 1.2 1.6
assign (resid   48 and   name HB1  )(resid   48 and   name HD1* )  3.6 1.3 1.6
assign (resid   48 and   name HG   )(resid   48 and   name HD1* )  2.9 0.6 0.7
assign (resid   48 and   name H    )(resid   49 and   name HB1  )  3.3 0.9 1.6
assign (resid   49 and   name H    )(resid   49 and   name HA   )  3.0 0.7 0.9
assign (resid   49 and   name H    )(resid   49 and   name HG2  )  3.8 1.1 1.8
assign (resid   49 and   name HA   )(resid   49 and   name HB1  )  3.3 0.9 1.5
assign (resid   49 and   name HA   )(resid   49 and   name HG1  )  3.3 1.0 1.2
assign (resid   49 and   name HA   )(resid   49 and   name HG2  )  3.3 1.0 1.5  
assign (resid   49 and   name HB1  )(resid   49 and   name HE21 )  3.3 1.0 1.6
assign (resid   49 and   name HB2  )(resid   49 and   name HG2  )  2.7 0.5 0.7
assign (resid   49 and   name HG2  )(resid   49 and   name HE22 )  3.7 1.1 1.8
assign (resid   49 and   name HA   )(resid   50 and   name H    )  3.6 1.1 1.7
assign (resid   49 and   name HB1  )(resid   50 and   name H    )  2.6 0.3 0.7
assign (resid   49 and   name H    )(resid   51 and   name H    )  3.6 0.9 1.6
assign (resid   49 and   name H    )(resid   51 and   name HG2  )  4.2 1.3 2.2
assign (resid   49 and   name H    )(resid   52 and   name HG11 )  4.1 1.3 2.2
assign (resid   49 and   name HE21 )(resid   52 and   name HG2* )  4.2 1.3 2.3
assign (resid   49 and   name H    )(resid   53 and   name H    )  4.2 1.3 2.4
assign (resid   49 and   name HG2  )(resid   53 and   name HD21 )  3.9 1.2 2.5
assign (resid   50 and   name H    )(resid   50 and   name HA   )  2.8 0.6 0.7
assign (resid   50 and   name H    )(resid   50 and   name HB1  )  2.9 0.8 0.9
assign (resid   50 and   name H    )(resid   50 and   name HB2  )  2.5 0.3 0.5
assign (resid   50 and   name HA   )(resid   50 and   name HB1  )  3.5 1.3 1.6
assign (resid   50 and   name HA   )(resid   50 and   name HB2  )  3.6 1.3 1.7
assign (resid   50 and   name H    )(resid   51 and   name H    )  2.7 0.5 0.6
assign (resid   50 and   name HB2  )(resid   51 and   name HA   )  3.7 1.1 1.9
assign (resid   50 and   name HA   )(resid   53 and   name H    )  4.1 1.3 2.2
assign (resid   50 and   name HA   )(resid   53 and   name HB1  )  3.6 1.3 1.8
assign (resid   50 and   name HA   )(resid   53 and   name HD22 )  3.9 1.2 2  
assign (resid   51 and   name H    )(resid   51 and   name HA   )  2.8 0.6 0.7
assign (resid   51 and   name H    )(resid   51 and   name HE*  )  3.6 1.2 1.7
assign (resid   51 and   name H    )(resid   51 and   name HG1  )  3.2 1.0 1.3
assign (resid   51 and   name H    )(resid   51 and   name HG2  )  3.7 1.2 1.8
assign (resid   51 and   name HA   )(resid   51 and   name HB1  )  3.2 0.9 1.4
assign (resid   51 and   name HA   )(resid   51 and   name HB2  )  3.5 1.3 1.6
assign (resid   51 and   name HA   )(resid   51 and   name HE*  )  3.2 1.0 1.3
assign (resid   51 and   name HA   )(resid   51 and   name HG1  )  3.7 1.1 1.8
assign (resid   51 and   name HG1  )(resid   51 and   name HE*  )  3.8 1.2 1.8
assign (resid   51 and   name HG2  )(resid   51 and   name HE*  )  3.3 1.1 1.4
assign (resid   51 and   name H    )(resid   54 and   name H    )  3.6 1.3 1.8
assign (resid   51 and   name HA   )(resid   54 and   name HG2  )  2.9 0.8 1.3
assign (resid   51 and   name HE*  )(resid   54 and   name HG1  )  3.7 1.3 1.8
assign (resid   51 and   name HE*  )(resid   54 and   name HG2  )  4.7 1.5 2.7
assign (resid   52 and   name H    )(resid   52 and   name HA   )  3.4 1.2 1.2
assign (resid   52 and   name H    )(resid   52 and   name HB   )  2.5 0.3 0.4
assign (resid   52 and   name H    )(resid   52 and   name HD1* )  4.1 1.3 2.1
assign (resid   52 and   name H    )(resid   52 and   name HG11 )  3.6 1.2 1.5
assign (resid   52 and   name H    )(resid   52 and   name HG12 )  3.0 0.7 0.8
assign (resid   52 and   name HA   )(resid   52 and   name HD1* )  4.0 1.3 2.0
assign (resid   52 and   name HA   )(resid   52 and   name HG2* )  3.4 1.2 1.4
assign (resid   52 and   name HA   )(resid   52 and   name HG12 )  3.3 1.2 1.2
assign (resid   52 and   name HA   )(resid   52 and   name HG2* )  4.1 1.3 2.1
assign (resid   52 and   name HB   )(resid   52 and   name HD1* )  4.2 1.3 2.2
assign (resid   52 and   name HB   )(resid   52 and   name HG2* )  3.8 1.3 2.0
assign (resid   52 and   name H    )(resid   53 and   name H    )  3.1 0.8 1.1
assign (resid   52 and   name HB   )(resid   53 and   name H    )  2.8 0.6 0.7
assign (resid   52 and   name HG12 )(resid   53 and   name H    )  3.6 1.3 1.8
assign (resid   52 and   name HG2* )(resid   53 and   name H    )  4.0 1.3 2.0
assign (resid   52 and   name HA   )(resid   55 and   name HG1* )  4.5 1.4 2.5
assign (resid   52 and   name HG2* )(resid   56 and   name HB2  )  3.5 1.2 1.6
assign (resid   52 and   name HD1* )(resid   62 and   name HG2* )  4.0 1.3 2.0
assign (resid   52 and   name HG2* )(resid   62 and   name H    )  3.9 1.2 2.2
assign (resid   52 and   name H    )(resid   63 and   name HD1* )  4.3 1.3 2.3
assign (resid   52 and   name H    )(resid   63 and   name HG11 )  4.3 1.3 2.5
assign (resid   52 and   name HA   )(resid   63 and   name HG11 )  3.9 1.3 1.8
assign (resid   52 and   name HA   )(resid   63 and   name HG2* )  4.6 1.5 2.6  
assign (resid   52 and   name HG11 )(resid   63 and   name HG12 )  3.3 0.9 1.8
assign (resid   52 and   name HG2* )(resid   63 and   name H    )  4.5 1.5 2.4  
assign (resid   53 and   name H    )(resid   53 and   name HB1  )  3.7 1.1 1.8
assign (resid   53 and   name H    )(resid   53 and   name HB2  )  2.8 0.6 0.7
assign (resid   53 and   name HA   )(resid   53 and   name HB1  )  3.6 1.3 1.7
assign (resid   53 and   name HA   )(resid   53 and   name HB2  )  3.7 1.3 1.8
assign (resid   53 and   name HB1  )(resid   53 and   name HD21 )  4.0 1.5 2.1
assign (resid   53 and   name HB1  )(resid   53 and   name HD22 )  3.6 1.3 1.7
assign (resid   53 and   name HB2  )(resid   53 and   name HD21 )  4.0 1.3 2.0
assign (resid   53 and   name HB2  )(resid   53 and   name HD22 )  3.8 1.1 1.8
assign (resid   53 and   name H    )(resid   54 and   name H    )  2.9 0.6 0.7
assign (resid   53 and   name HA   )(resid   54 and   name H    )  3.9 1.2 2.5
assign (resid   53 and   name HB1  )(resid   54 and   name H    )  3.3 1.0 1.2
assign (resid   53 and   name HB2  )(resid   54 and   name H    )  4.0 1.1 2.0
assign (resid   53 and   name HD22 )(resid   54 and   name HA   )  3.9 1.2 2.5
assign (resid   53 and   name HA   )(resid   55 and   name H    )  4.5 1.4 2.5
assign (resid   53 and   name HA   )(resid   56 and   name H    )  3.4 1.2 1.5
assign (resid   53 and   name HD22 )(resid   56 and   name HB2  )  4.3 1.3 2.3
assign (resid   53 and   name HA   )(resid   60 and   name H    )  4.2 1.6 2.5
assign (resid   53 and   name HA   )(resid   63 and   name HD1* )  4.2 1.3 2.5
assign (resid   54 and   name H    )(resid   54 and   name HA   )  2.9 0.6 0.7
assign (resid   54 and   name H    )(resid   54 and   name HB1  )  3.4 1.3 1.6
assign (resid   54 and   name H    )(resid   54 and   name HB2  )  3.3 0.9 1.5
assign (resid   54 and   name H    )(resid   54 and   name HG1  )  3.0 0.8 1.0
assign (resid   54 and   name H    )(resid   54 and   name HG2  )  3.5 1.2 1.8
assign (resid   54 and   name HA   )(resid   54 and   name HG1  )  2.8 0.7 1.2
assign (resid   54 and   name HA   )(resid   54 and   name HG2  )  2.8 0.7 1.2
assign (resid   54 and   name H    )(resid   55 and   name H    )  2.9 0.7 1.5
assign (resid   54 and   name H    )(resid   55 and   name HG1* )  4.3 1.3 2.3
assign (resid   54 and   name HB2  )(resid   55 and   name H    )  4.3 1.3 2.3
assign (resid   54 and   name HG1  )(resid   55 and   name HG2* )  3.7 1.2 1.9
assign (resid   54 and   name HG2  )(resid   63 and   name HD1* )  4.5 1.5 2.5
assign (resid   55 and   name H    )(resid   55 and   name HG1* )  3.6 1.2 1.7
assign (resid   55 and   name HA   )(resid   55 and   name HB   )  3.6 1.1 1.7
assign (resid   55 and   name HA   )(resid   55 and   name HG1* )  4.0 1.3 2.0
assign (resid   55 and   name HA   )(resid   55 and   name HG2* )  4.0 1.3 2.0
assign (resid   55 and   name HB   )(resid   55 and   name HG1* )  3.6 1.2 1.6
assign (resid   55 and   name HB   )(resid   55 and   name HG2* )  3.7 1.1 1.8
assign (resid   55 and   name H    )(resid   56 and   name H    )  2.7 0.5 0.6  
assign (resid   55 and   name HG2* )(resid   56 and   name HA   )  4.3 1.3 2.3
assign (resid   55 and   name H    )(resid   63 and   name HD1* )  3.6 1.3 1.5
assign (resid   55 and   name HG2* )(resid   63 and   name HD1* )  3.8 1.1 1.7  
assign (resid   55 and   name HG2* )(resid   67 and   name HB1  )  3.8 1.1 2.1
assign (resid   55 and   name HG2* )(resid   68 and   name HA   )  4.2 1.4 2.2
assign (resid   55 and   name HB   )(resid   71 and   name HB2  )  3.1 0.8 1.8
assign (resid   55 and   name HG1* )(resid   71 and   name HE*  )  4.5 1.4 2.5
assign (resid   55 and   name HG1* )(resid   71 and   name HG1  )  3.9 1.3 1.8
assign (resid   55 and   name HG1* )(resid   72 and   name H    )  4.7 1.6 2.5  
assign (resid   55 and   name HG1* )(resid   74 and   name HG1  )  3.8 1.3 1.6
assign (resid   56 and   name H    )(resid   56 and   name HA   )  3.3 1.1 1.4
assign (resid   56 and   name HA   )(resid   57 and   name H    )  2.5 0.3 0.4
assign (resid   56 and   name HA   )(resid   57 and   name HB*  )  5.1 1.7 3  
assign (resid   56 and   name HB1  )(resid   57 and   name H    )  3.8 1.1 1.8
assign (resid   56 and   name HB2  )(resid   57 and   name H    )  3.9 1.2 1.9
assign (resid   56 and   name HA   )(resid   59 and   name H    )  3.4 1.0 1.6
assign (resid   57 and   name H    )(resid   57 and   name HA   )  2.9 0.5 0.7
assign (resid   57 and   name H    )(resid   57 and   name HB*  )  3.2 0.9 1.2
assign (resid   57 and   name HA   )(resid   57 and   name HB*  )  3.5 1.3 1.6
assign (resid   57 and   name H    )(resid   58 and   name H    )  2.5 0.3 0.4
assign (resid   57 and   name HA   )(resid   58 and   name H    )  3.5 1.1 1.5
assign (resid   57 and   name HB*  )(resid   58 and   name H    )  3.5 1.3 1.7
assign (resid   57 and   name H    )(resid   59 and   name H    )  3.5 1.3 1.7
assign (resid   57 and   name HB*  )(resid   59 and   name H    )  4.2 1.3 2.3
assign (resid   57 and   name H    )(resid   63 and   name HD1* )  4.3 1.3 2.4
assign (resid   58 and   name H    )(resid   58 and   name HB1  )  3.3 0.9 1.4
assign (resid   58 and   name H    )(resid   58 and   name HB2  )  3.7 1.1 1.8
assign (resid   58 and   name H    )(resid   59 and   name HA2  )  4.1 1.3 2.2
assign (resid   58 and   name HA   )(resid   60 and   name HB1  )  3.7 1.1 1.9
assign (resid   58 and   name H    )(resid   67 and   name HG1  )  3.5 1.3 1.9
assign (resid   59 and   name H    )(resid   59 and   name HA1  )  2.5 0.3 0.5
assign (resid   59 and   name H    )(resid   59 and   name HA2  )  3.0 0.7 1.0
assign (resid   59 and   name HA1  )(resid   60 and   name H    )  4.4 1.4 2.4
assign (resid   60 and   name H    )(resid   60 and   name HA   )  2.9 0.6 0.7
assign (resid   60 and   name H    )(resid   60 and   name HB1  )  2.9 0.6 0.7    
assign (resid   60 and   name H    )(resid   60 and   name HB2  )  3.6 1.3 1.7
assign (resid   60 and   name H    )(resid   61 and   name H    )  2.7 0.4 0.5
assign (resid   61 and   name H    )(resid   61 and   name HA1  )  3.0 0.7 0.9
assign (resid   61 and   name H    )(resid   61 and   name HA2  )  3.0 0.7 0.9
assign (resid   61 and   name H    )(resid   62 and   name H    )  2.6 0.6 1.2
assign (resid   61 and   name HA1  )(resid   62 and   name H    )  3.0 0.7 1.0
assign (resid   61 and   name HA2  )(resid   62 and   name H    )  3.5 1.2 1.5
assign (resid   62 and   name H    )(resid   62 and   name HB   )  4.0 1.3 2.0
assign (resid   62 and   name H    )(resid   62 and   name HG2* )  3.8 1.1 1.8
assign (resid   62 and   name HA   )(resid   62 and   name HB   )  4.1 1.4 2.6
assign (resid   62 and   name HB   )(resid   62 and   name HG2* )  3.8 1.4 1.8
assign (resid   62 and   name H    )(resid   63 and   name H    )  3.7 1.1 1.9
assign (resid   62 and   name HB   )(resid   63 and   name H    )  3.2 1.0 1.2
assign (resid   62 and   name HG2* )(resid   63 and   name H    )  4.1 1.3 2.2
assign (resid   63 and   name H    )(resid   63 and   name HA   )  3.5 1.3 1.5    
assign (resid   63 and   name H    )(resid   63 and   name HD1* )  4.2 1.3 2.2
assign (resid   63 and   name H    )(resid   63 and   name HG2* )  3.8 1.1 1.8
assign (resid   63 and   name HA   )(resid   63 and   name HD1* )  4.4 1.3 2.4  
assign (resid   63 and   name HB   )(resid   63 and   name HG2* )  3.8 1.3 2.0
assign (resid   63 and   name HG11 )(resid   63 and   name HD1* )  3.7 1.2 1.8
assign (resid   63 and   name HG12 )(resid   63 and   name HD1* )  4.0 1.5 2.0    
assign (resid   63 and   name HG2* )(resid   64 and   name H    )  3.8 1.2 1.5
assign (resid   63 and   name HD1* )(resid   67 and   name HA   )  4.4 1.4 2.5
assign (resid   63 and   name HD1* )(resid   67 and   name HB1  )  3.9 1.2 2.1
assign (resid   63 and   name HD1* )(resid   67 and   name HG1  )  4.3 1.3 2.4
assign (resid   63 and   name HD1* )(resid   67 and   name HG2  )  4.3 1.3 2.4
assign (resid   63 and   name HG2* )(resid   68 and   name H    )  3.7 1.1 1.8
assign (resid   63 and   name HG2* )(resid   68 and   name HA   )  3.8 1.3 1.6
assign (resid   63 and   name HG2* )(resid   68 and   name HD2  )  4.0 1.3 2.0
assign (resid   64 and   name HA   )(resid   64 and   name HB1  )  3.9 1.4 2.0
assign (resid   64 and   name HA   )(resid   65 and   name H    )  3.4 1.1 1.3
assign (resid   65 and   name HA   )(resid   65 and   name HE1  )  3.6 1.2 1.7
assign (resid   65 and   name H    )(resid   66 and   name HD1  )  3.7 1.4 1.8
assign (resid   65 and   name HE1  )(resid   68 and   name HE1  )  3.0 0.7 1.2
assign (resid   65 and   name HD1  )(resid   69 and   name H    )  4.1 1.3 2.3
assign (resid   66 and   name HA   )(resid   66 and   name HG2  )  3.7 1.1 1.8
assign (resid   66 and   name HB1  )(resid   67 and   name H    )  3.2 0.9 1.5
assign (resid   66 and   name HA   )(resid   69 and   name HD2* )  4.4 1.4 2.4
assign (resid   67 and   name H    )(resid   67 and   name HG2  )  3.1 0.8 1.4
assign (resid   67 and   name HG1  )(resid   70 and   name HG2* )  4.4 1.4 2.3
assign (resid   68 and   name H    )(resid   68 and   name HA   )  3.2 1.1 1.4
assign (resid   68 and   name H    )(resid   68 and   name HB1  )  3.3 1.0 1.4
assign (resid   68 and   name HA   )(resid   68 and   name HB1  )  3.3 1.0 1.4
assign (resid   68 and   name HA   )(resid   68 and   name HD2  )  3.3 1.0 1.4
assign (resid   68 and   name HB1  )(resid   68 and   name HD1  )  3.0 0.7 1.0
assign (resid   68 and   name H    )(resid   69 and   name H    )  2.9 0.6 0.7
assign (resid   68 and   name HA   )(resid   69 and   name HA   )  3.5 1.3 1.7
assign (resid   68 and   name HA   )(resid   71 and   name HE*  )  4.1 1.4 2.0
assign (resid   68 and   name HD2  )(resid   71 and   name HE*  )  4.3 1.4 2.0
assign (resid   68 and   name HE2  )(resid   71 and   name HE*  )  3.5 1.2 1.6  
assign (resid   68 and   name HE2  )(resid   72 and   name HE*  )  3.6 1.3 1.9
assign (resid   69 and   name H    )(resid   69 and   name HA   )  2.9 0.5 0.8
assign (resid   69 and   name H    )(resid   69 and   name HB1  )  4.0 1.3 2.0
assign (resid   69 and   name H    )(resid   69 and   name HB2  )  3.7 1.4 2.0
assign (resid   69 and   name H    )(resid   69 and   name HD1* )  4.5 1.5 2.0
assign (resid   69 and   name H    )(resid   69 and   name HD2* )  4.5 1.4 2.0
assign (resid   69 and   name HA   )(resid   69 and   name HB2  )  3.8 1.3 1.8
assign (resid   69 and   name HA   )(resid   69 and   name HD1* )  4.1 1.4 2.0
assign (resid   69 and   name HA   )(resid   69 and   name HD2* )  4.4 1.4 2.0
assign (resid   69 and   name HB1  )(resid   69 and   name HD1* )  4.3 1.3 2.2
assign (resid   69 and   name HB1  )(resid   69 and   name HD2* )  3.6 1.3 1.6
assign (resid   69 and   name HB2  )(resid   69 and   name HD2* )  3.5 1.3 1.5
assign (resid   69 and   name HG   )(resid   69 and   name HD2* )  3.1 1.2 1.2
assign (resid   69 and   name H    )(resid   70 and   name H    )  3.1 1.0 1.2
assign (resid   69 and   name HB1  )(resid   70 and   name H    )  3.3 1.0 1.3
assign (resid   69 and   name HG   )(resid   72 and   name HA   )  3.9 1.2 2.0
assign (resid   70 and   name H    )(resid   70 and   name HA   )  3.0 0.6 0.7
assign (resid   70 and   name H    )(resid   70 and   name HB   )  3.6 1.3 1.7
assign (resid   70 and   name HA   )(resid   70 and   name HG2* )  3.5 1.3 1.5
assign (resid   70 and   name H    )(resid   72 and   name H    )  3.2 0.9 1.5
assign (resid   70 and   name HA   )(resid   73 and   name HB*  )  4.6 1.5 2.0
assign (resid   71 and   name HG1  )(resid   71 and   name HE*  )  3.7 1.3 1.8
assign (resid   71 and   name HG2  )(resid   71 and   name HE*  )  4.0 1.4 2.0
assign (resid   71 and   name HE*  )(resid   75 and   name HG1  )  3.9 1.3 2.1
assign (resid   72 and   name H    )(resid   72 and   name HA   )  3.1 0.8 1.0  
assign (resid   72 and   name HA   )(resid   72 and   name HE*  )  3.8 1.5 1.8
assign (resid   72 and   name H    )(resid   73 and   name H    )  2.9 0.6 0.7
assign (resid   72 and   name HA   )(resid   73 and   name H    )  4.3 1.3 2.3
assign (resid   72 and   name HE*  )(resid   73 and   name H    )  4.9 1.6 2.9
assign (resid   72 and   name HA   )(resid   75 and   name HG1  )  3.8 1.3 1.9
assign (resid   72 and   name HE*  )(resid   75 and   name H    )  4.1 1.3 2.2
assign (resid   72 and   name HE*  )(resid   75 and   name HA   )  4.5 1.3 2.3
assign (resid   73 and   name H    )(resid   73 and   name HA   )  2.9 0.5 0.6
assign (resid   73 and   name H    )(resid   73 and   name HB*  )  3.6 1.1 1.5
assign (resid   73 and   name H    )(resid   74 and   name H    )  3.1 0.8 1.1
assign (resid   73 and   name HB*  )(resid   74 and   name H    )  4.3 1.4 2.5
assign (resid   73 and   name HB*  )(resid   74 and   name HG2  )  4.4 1.4 2.4
assign (resid   73 and   name H    )(resid   75 and   name HB2  )  3.9 1.2 2.0  
assign (resid   73 and   name HA   )(resid   75 and   name H    )  3.7 1.1 1.9
assign (resid   73 and   name HB*  )(resid   75 and   name H    )  4.3 1.4 2.1
assign (resid   73 and   name HA   )(resid   76 and   name HE*  )  4.2 1.4 2.2
assign (resid   74 and   name H    )(resid   74 and   name HA   )  2.9 0.5 0.6  
assign (resid   74 and   name H    )(resid   74 and   name HD1  )  4.2 1.3 2.2
assign (resid   74 and   name H    )(resid   74 and   name HG2  )  3.5 1.3 1.5
assign (resid   75 and   name H    )(resid   75 and   name HG1  )  3.6 1.3 1.7
assign (resid   75 and   name HA   )(resid   75 and   name HB1  )  3.4 1.3 1.6
assign (resid   75 and   name HA   )(resid   75 and   name HD2  )  3.6 1.3 1.7
assign (resid   75 and   name HA   )(resid   75 and   name HG1  )  3.7 1.1 1.8
assign (resid   75 and   name HG1  )(resid   75 and   name HD1  )  2.5 0.3 0.4
assign (resid   75 and   name HG1  )(resid   75 and   name HE2  )  3.1 0.8 1.1
assign (resid   75 and   name H    )(resid   76 and   name HE*  )  3.7 1.3 1.8
assign (resid   75 and   name H    )(resid   76 and   name HG1  )  4.2 1.4 2.2
assign (resid   75 and   name H    )(resid   76 and   name HG2  )  4.0 1.1 2.0
assign (resid   75 and   name HB1  )(resid   76 and   name HE*  )  4.7 1.5 2.7
assign (resid   75 and   name HG1  )(resid   76 and   name HA   )  3.9 1.2 2.1
assign (resid   76 and   name H    )(resid   76 and   name HB1  )  3.2 0.9 1.4
assign (resid   76 and   name H    )(resid   76 and   name HG1  )  3.8 1.2 1.8
assign (resid   76 and   name H    )(resid   76 and   name HE*  )  3.9 1.2 1.9
assign (resid   76 and   name HA   )(resid   76 and   name HB1  )  3.3 1.0 1.4
assign (resid   76 and   name HA   )(resid   76 and   name HB2  )  3.3 1.0 1.4
assign (resid   76 and   name HA   )(resid   76 and   name HE*  )  4.1 1.3 2  
assign (resid   76 and   name HA   )(resid   76 and   name HG1  )  4.0 1.2 2    
assign (resid   76 and   name HA   )(resid   76 and   name HG2  )  3.6 1.2 1.7    
assign (resid   76 and   name HG1  )(resid   76 and   name HE*  )  4.1 1.3 2.1
assign (resid   76 and   name HG2  )(resid   76 and   name HE*  )  3.5 1.2 1.5
!
!H-bonds 
assign (resid    5 and   name O    )(resid    9 and   name N    )  3.1 0.4 0.4
assign (resid    5 and   name O    )(resid    9 and   name H    )  2.0 0.3 0.3
assign (resid    6 and   name O    )(resid   10 and   name N    )  3.1 0.4 0.4
assign (resid    6 and   name O    )(resid   10 and   name H    )  2.0 0.3 0.3
assign (resid    7 and   name O    )(resid   11 and   name N    )  3.1 0.4 0.4
assign (resid    7 and   name O    )(resid   11 and   name H    )  2.0 0.3 0.3
assign (resid    8 and   name O    )(resid   12 and   name N    )  3.1 0.4 0.4
assign (resid    8 and   name O    )(resid   12 and   name H    )  2.0 0.3 0.3
assign (resid    9 and   name O    )(resid   13 and   name N    )  3.1 0.4 0.4
assign (resid    9 and   name O    )(resid   13 and   name H    )  2.0 0.3 0.3
assign (resid   10 and   name O    )(resid   14 and   name N    )  3.1 0.4 0.4
assign (resid   10 and   name O    )(resid   14 and   name H    )  2.0 0.3 0.3
assign (resid   11 and   name O    )(resid   15 and   name N    )  3.1 0.4 0.4
assign (resid   11 and   name O    )(resid   15 and   name H    )  2.0 0.3 0.3
assign (resid   12 and   name O    )(resid   16 and   name N    )  3.1 0.4 0.4
assign (resid   12 and   name O    )(resid   16 and   name H    )  2.0 0.3 0.3
assign (resid   13 and   name O    )(resid   17 and   name N    )  3.1 0.4 0.4
assign (resid   13 and   name O    )(resid   17 and   name H    )  2.0 0.3 0.3
assign (resid   14 and   name O    )(resid   18 and   name N    )  3.1 0.4 0.4
assign (resid   14 and   name O    )(resid   18 and   name H    )  2.0 0.3 0.3
assign (resid   15 and   name O    )(resid   19 and   name N    )  3.1 0.4 0.4
assign (resid   15 and   name O    )(resid   19 and   name H    )  2.0 0.3 0.5
assign (resid   16 and   name O    )(resid   20 and   name N    )  3.1 0.4 0.4
assign (resid   16 and   name O    )(resid   20 and   name H    )  2.0 0.3 0.3
assign (resid   20 and   name O    )(resid   23 and   name N    )  3.0 0.3 0.5
assign (resid   20 and   name O    )(resid   23 and   name H    )  2.0 0.3 0.3
assign (resid   27 and   name O    )(resid   63 and   name N    )  2.8 0.2 0.2
assign (resid   27 and   name O    )(resid   63 and   name H    )  1.8 0.2 0.2
assign (resid   27 and   name C    )(resid   63 and   name H    )  2.8 0.2 0.2
assign (resid   63 and   name O    )(resid   27 and   name N    )  2.8 0.2 0.2
assign (resid   63 and   name O    )(resid   27 and   name H    )  1.8 0.2 0.2
assign (resid   63 and   name C    )(resid   27 and   name H    )  2.8 0.2 0.2
assign (resid   63 and   name H    )(resid   27 and   name H    )  2.5 0.2 0.2
assign (resid   63 and   name O    )(resid   27 and   name O    )  3.8 0.2 0.2
assign (resid   63 and   name N    )(resid   27 and   name N    )  4.0 0.2 0.2
assign (resid   63 and   name C    )(resid   27 and   name C    )  5.0 0.2 0.2
assign (resid   28 and   name O    )(resid   32 and   name N    )  3.1 0.4 0.4
assign (resid   28 and   name O    )(resid   32 and   name H    )  2.0 0.3 0.3
assign (resid   29 and   name O    )(resid   33 and   name N    )  3.1 0.4 0.4
assign (resid   29 and   name O    )(resid   33 and   name H    )  2.0 0.3 0.3
assign (resid   30 and   name O    )(resid   34 and   name N    )  3.1 0.4 0.4
assign (resid   30 and   name O    )(resid   34 and   name H    )  2.0 0.3 0.3
assign (resid   31 and   name O    )(resid   35 and   name N    )  3.1 0.4 0.4
assign (resid   31 and   name O    )(resid   35 and   name H    )  2.0 0.3 0.3
assign (resid   32 and   name O    )(resid   36 and   name N    )  3.1 0.4 0.4
assign (resid   32 and   name O    )(resid   36 and   name H    )  2.0 0.3 0.3
assign (resid   33 and   name O    )(resid   37 and   name N    )  3.1 0.4 0.4
assign (resid   33 and   name O    )(resid   37 and   name H    )  2.0 0.3 0.3
assign (resid   34 and   name O    )(resid   38 and   name N    )  3.1 0.4 0.4
assign (resid   34 and   name O    )(resid   38 and   name H    )  2.0 0.3 0.3
assign (resid   35 and   name O    )(resid   39 and   name N    )  3.1 0.4 0.4
assign (resid   35 and   name O    )(resid   39 and   name H    )  2.0 0.3 0.3
assign (resid   44 and   name O    )(resid   48 and   name N    )  3.1 0.4 0.4
assign (resid   44 and   name O    )(resid   48 and   name H    )  2.0 0.3 0.3
assign (resid   45 and   name O    )(resid   49 and   name N    )  3.1 0.4 0.4
assign (resid   45 and   name O    )(resid   49 and   name H    )  2.0 0.3 0.3
assign (resid   46 and   name O    )(resid   50 and   name N    )  3.1 0.4 0.4
assign (resid   46 and   name O    )(resid   50 and   name H    )  2.0 0.3 0.3
assign (resid   47 and   name O    )(resid   51 and   name N    )  3.1 0.4 0.4
assign (resid   47 and   name O    )(resid   51 and   name H    )  2.0 0.3 0.3
assign (resid   48 and   name O    )(resid   52 and   name N    )  3.1 0.4 0.4
assign (resid   48 and   name O    )(resid   52 and   name H    )  2.0 0.3 0.3
assign (resid   49 and   name O    )(resid   53 and   name N    )  3.1 0.4 0.4
assign (resid   49 and   name O    )(resid   53 and   name H    )  2.0 0.3 0.3
assign (resid   50 and   name O    )(resid   54 and   name N    )  3.1 0.4 0.4
assign (resid   50 and   name O    )(resid   54 and   name H    )  2.0 0.3 0.3
assign (resid   51 and   name O    )(resid   55 and   name N    )  3.1 0.4 0.4
assign (resid   51 and   name O    )(resid   55 and   name H    )  2.0 0.3 0.5
assign (resid   52 and   name O    )(resid   56 and   name N    )  3.1 0.4 0.4
assign (resid   52 and   name O    )(resid   56 and   name H    )  2.0 0.3 0.3
assign (resid   64 and   name O    )(resid   68 and   name N    )  3.1 0.4 0.4
assign (resid   64 and   name O    )(resid   68 and   name H    )  2.0 0.3 0.3
assign (resid   65 and   name O    )(resid   69 and   name N    )  3.1 0.4 0.4
assign (resid   65 and   name O    )(resid   69 and   name H    )  2.0 0.3 0.3
assign (resid   66 and   name O    )(resid   70 and   name N    )  3.1 0.4 0.4
assign (resid   66 and   name O    )(resid   70 and   name H    )  2.0 0.3 0.3


!Ca-coordination geometry constraints:

assign (segid A    and resid  24  and name OD1   )
       (segid A    and resid  26  and name O     )    3.17   0.30   0.30
assign (segid A    and resid  26  and name O     )
       (segid A    and resid  31  and name OE1   )    2.92   0.30   0.30
assign (segid A    and resid  24  and name OD1   )
       (segid A    and resid  22  and name OD1   )    2.97   0.30   0.30
assign (segid A    and resid  24  and name OD1   )
       (segid A    and resid  20  and name OD1   )    3.42   0.30   0.30
assign (segid A    and resid  24  and name OD1   )
       (segid A    and resid  31  and name OE1   )    4.66   0.30   0.30
assign (segid A    and resid  24  and name OD1   )
       (segid A    and resid  31  and name OE2   )    4.55   0.30   0.30
assign (segid A    and resid  22  and name OD1   )
       (segid A    and resid  26  and name O     )    4.55   0.30   0.30
assign (segid A    and resid  22  and name OD1   )
       (segid A    and resid  31  and name OE1   )    4.32   0.30   0.30
assign (segid A    and resid  22  and name OD1   )
       (segid A    and resid  31  and name OE2   )    2.88   0.30   0.30
assign (segid A    and resid  22  and name OD1   )
       (segid A    and resid  20  and name OD1   )    3.04   0.30   0.30
assign (segid A    and resid  20  and name OD1   )
       (segid A    and resid  31  and name OE2   )    3.52   0.30   0.30
assign (segid A    and resid  20  and name OD1   )
       (segid A    and resid  31  and name OE1   )    3.91   0.30   0.30
assign (segid A    and resid  20  and name OD1   )
       (segid A    and resid  26  and name O     )    3.23   0.30   0.30
assign (segid A    and resid  31  and name OE2   )
       (segid A    and resid  26  and name O     )    4.27   0.30   0.30
assign (segid C    and resid 990  and name CA    )
       (segid A    and resid  26  and name O     )    2.35   0.30   0.30
assign (segid C    and resid 990  and name CA    )
       (segid A    and resid  26  and name C     )    3.54   0.30   0.30
assign (segid C    and resid 990  and name CA    )
       (segid A    and resid  31  and name OE1   )    2.43   0.30   0.30
assign (segid C    and resid 990  and name CA    )
       (segid A    and resid  31  and name OE2   )    2.38   0.30   0.30
assign (segid C    and resid 990  and name CA    )
       (segid A    and resid  22  and name OD1   )    2.50   0.30   0.30
assign (segid C    and resid 990  and name CA    )
       (segid A    and resid  24  and name OD1   )    2.40   0.30   0.30
assign (segid C    and resid 990  and name CA    )
       (segid A    and resid  20  and name OD1   )    2.40   0.30   0.30
assign (segid A    and resid  26  and name C     )
       (segid A    and resid  31  and name OE1   )    3.89   0.30   0.30
assign (segid A    and resid  62  and name C     )
       (segid A    and resid  67  and name OE1   )    3.92   0.30   0.30
assign (segid A    and resid  67  and name OE2   )
       (segid A    and resid  56  and name OD1   )    3.15   0.30   0.30
assign (segid A    and resid  67  and name OE2   )
       (segid A    and resid  58  and name OD1   )    2.67   0.30   0.30
assign (segid A    and resid  67  and name OE2   )
       (segid A    and resid  60  and name OD1   )    4.53   0.30   0.30
assign (segid A    and resid  67  and name OE2   )
       (segid A    and resid  62  and name O     )    4.36   0.30   0.30
assign (segid A    and resid  67  and name OE1   )
       (segid A    and resid  56  and name OD1   )    3.62   0.30   0.30
assign (segid A    and resid  67  and name OE1   )
       (segid A    and resid  58  and name OD1   )    4.36   0.30   0.30
assign (segid A    and resid  62  and name O     )
       (segid A    and resid  67  and name OE1   )    2.89   0.30   0.30
assign (segid A    and resid  62  and name O     )
       (segid A    and resid  60  and name OD1   )    3.00   0.30   0.30
assign (segid A    and resid  62  and name O     )
       (segid A    and resid  58  and name OD1   )    4.27   0.30   0.30
assign (segid A    and resid  62  and name O     )
       (segid A    and resid  56  and name OD1   )    3.18   0.30   0.30
assign (segid A    and resid  60  and name OD1   )
       (segid A    and resid  58  and name OD1   )    2.75   0.30   0.30
assign (segid A    and resid  60  and name OD1   )
       (segid A    and resid  56  and name OD1   )    3.34   0.30   0.30
assign (segid A    and resid  58  and name OD1   )
       (segid A    and resid  56  and name OD1   )    2.62   0.30   0.30
assign (segid C    and resid 991  and name CA    )
       (segid A    and resid  62  and name O     )    2.30   0.30   0.30
assign (segid C    and resid 991  and name CA    )
       (segid A    and resid  62  and name C     )    3.52   0.30   0.30
assign (segid C    and resid 991  and name CA    )
       (segid A    and resid  67  and name OE1   )    2.55   0.30   0.30
assign (segid C    and resid 991  and name CA    )
       (segid A    and resid  67  and name OE2   )    2.40   0.30   0.30
assign (segid C    and resid 991  and name CA    )
       (segid A    and resid  60  and name OD1   )    2.37   0.30   0.30
assign (segid C    and resid 991  and name CA    )
       (segid A    and resid  58  and name OD1   )    2.30   0.30   0.30
assign (segid C    and resid 991  and name CA    )
       (segid A    and resid  56  and name OD1   )    2.20   0.30   0.30


Ca-coordination geometry constraints:

assign (segid A    and resid  24  and name OD1   )
       (segid A    and resid  26  and name O     )    3.17   0.30   0.30
assign (segid A    and resid  26  and name O     )
       (segid A    and resid  31  and name OE1   )    2.92   0.30   0.30
assign (segid A    and resid  24  and name OD1   )
       (segid A    and resid  22  and name OD1   )    2.97   0.30   0.30
assign (segid A    and resid  24  and name OD1   )
       (segid A    and resid  20  and name OD1   )    3.42   0.30   0.30
assign (segid A    and resid  24  and name OD1   )
       (segid A    and resid  31  and name OE1   )    4.66   0.30   0.30
assign (segid A    and resid  24  and name OD1   )
       (segid A    and resid  31  and name OE2   )    4.55   0.30   0.30
assign (segid A    and resid  22  and name OD1   )
       (segid A    and resid  26  and name O     )    4.55   0.30   0.30
assign (segid A    and resid  22  and name OD1   )
       (segid A    and resid  31  and name OE1   )    4.32   0.30   0.30
assign (segid A    and resid  22  and name OD1   )
       (segid A    and resid  31  and name OE2   )    2.88   0.30   0.30
assign (segid A    and resid  22  and name OD1   )
       (segid A    and resid  20  and name OD1   )    3.04   0.30   0.30
assign (segid A    and resid  20  and name OD1   )
       (segid A    and resid  31  and name OE2   )    3.52   0.30   0.30
assign (segid A    and resid  20  and name OD1   )
       (segid A    and resid  31  and name OE1   )    3.91   0.30   0.30
assign (segid A    and resid  20  and name OD1   )
       (segid A    and resid  26  and name O     )    3.23   0.30   0.30
assign (segid A    and resid  31  and name OE2   )
       (segid A    and resid  26  and name O     )    4.27   0.30   0.30
assign (segid C    and resid 990  and name CA    )
       (segid A    and resid  26  and name O     )    2.35   0.30   0.30
assign (segid C    and resid 990  and name CA    )
       (segid A    and resid  26  and name C     )    3.54   0.30   0.30
assign (segid C    and resid 990  and name CA    )
       (segid A    and resid  31  and name OE1   )    2.43   0.30   0.30
assign (segid C    and resid 990  and name CA    )
       (segid A    and resid  31  and name OE2   )    2.38   0.30   0.30
assign (segid C    and resid 990  and name CA    )
       (segid A    and resid  22  and name OD1   )    2.50   0.30   0.30
assign (segid C    and resid 990  and name CA    )
       (segid A    and resid  24  and name OD1   )    2.40   0.30   0.30
assign (segid C    and resid 990  and name CA    )
       (segid A    and resid  20  and name OD1   )    2.40   0.30   0.30
assign (segid A    and resid  26  and name C     )
       (segid A    and resid  31  and name OE1   )    3.89   0.30   0.30
assign (segid A    and resid  62  and name C     )
       (segid A    and resid  67  and name OE1   )    3.92   0.30   0.30
assign (segid A    and resid  67  and name OE2   )
       (segid A    and resid  56  and name OD1   )    3.15   0.30   0.30
assign (segid A    and resid  67  and name OE2   )
       (segid A    and resid  58  and name OD1   )    2.67   0.30   0.30
assign (segid A    and resid  67  and name OE2   )
       (segid A    and resid  60  and name OD1   )    4.53   0.30   0.30
assign (segid A    and resid  67  and name OE2   )
       (segid A    and resid  62  and name O     )    4.36   0.30   0.30
assign (segid A    and resid  67  and name OE1   )
       (segid A    and resid  56  and name OD1   )    3.62   0.30   0.30
assign (segid A    and resid  67  and name OE1   )
       (segid A    and resid  58  and name OD1   )    4.36   0.30   0.30
assign (segid A    and resid  62  and name O     )
       (segid A    and resid  67  and name OE1   )    2.89   0.30   0.30
assign (segid A    and resid  62  and name O     )
       (segid A    and resid  60  and name OD1   )    3.00   0.30   0.30
assign (segid A    and resid  62  and name O     )
       (segid A    and resid  58  and name OD1   )    4.27   0.30   0.30
assign (segid A    and resid  62  and name O     )
       (segid A    and resid  56  and name OD1   )    3.18   0.30   0.30
assign (segid A    and resid  60  and name OD1   )
       (segid A    and resid  58  and name OD1   )    2.75   0.30   0.30
assign (segid A    and resid  60  and name OD1   )
       (segid A    and resid  56  and name OD1   )    3.34   0.30   0.30
assign (segid A    and resid  58  and name OD1   )
       (segid A    and resid  56  and name OD1   )    2.62   0.30   0.30
assign (segid C    and resid 991  and name CA    )
       (segid A    and resid  62  and name O     )    2.30   0.30   0.30
assign (segid C    and resid 991  and name CA    )
       (segid A    and resid  62  and name C     )    3.52   0.30   0.30
assign (segid C    and resid 991  and name CA    )
       (segid A    and resid  67  and name OE1   )    2.55   0.30   0.30
assign (segid C    and resid 991  and name CA    )
       (segid A    and resid  67  and name OE2   )    2.40   0.30   0.30
assign (segid C    and resid 991  and name CA    )
       (segid A    and resid  60  and name OD1   )    2.37   0.30   0.30
assign (segid C    and resid 991  and name CA    )
       (segid A    and resid  58  and name OD1   )    2.30   0.30   0.30
assign (segid C    and resid 991  and name CA    )
       (segid A    and resid  56  and name OD1   )    2.20   0.30   0.30

!dihedral constraints:
!
!OMEGA
     assign (resid    3   and name ca) (resid    3   and name c)
      (resid    4   and name n) (resid    4   and name ca)    10   179.2   3.00 2
     assign (resid    4   and name ca) (resid    4   and name c)
      (resid    5   and name n) (resid    5   and name ca)    10  -180.0   3.00 2
     assign (resid    5   and name ca) (resid    5   and name c)
      (resid    6   and name n) (resid    6   and name ca)    10   179.8   3.00 2
     assign (resid    6   and name ca) (resid    6   and name c)
      (resid    7   and name n) (resid    7   and name ca)    10   179.7   3.00 2
     assign (resid    7   and name ca) (resid    7   and name c)
      (resid    8   and name n) (resid    8   and name ca)    10  -179.5   3.00 2
     assign (resid    8   and name ca) (resid    8   and name c)
      (resid    9   and name n) (resid    9   and name ca)    10   179.3   3.00 2
     assign (resid    9   and name ca) (resid    9   and name c)
      (resid   10   and name n) (resid   10   and name ca)    10  -179.7   3.00 2
     assign (resid   10   and name ca) (resid   10   and name c)
      (resid   11   and name n) (resid   11   and name ca)    10   179.0   3.00 2
     assign (resid   11   and name ca) (resid   11   and name c)
      (resid   12   and name n) (resid   12   and name ca)    10   179.1   3.00 2
     assign (resid   12   and name ca) (resid   12   and name c)
      (resid   13   and name n) (resid   13   and name ca)    10   179.4   3.00 2
     assign (resid   13   and name ca) (resid   13   and name c)
      (resid   14   and name n) (resid   14   and name ca)    10   178.9   3.00 2
     assign (resid   14   and name ca) (resid   14   and name c)
      (resid   15   and name n) (resid   15   and name ca)    10   178.9   3.00 2
     assign (resid   15   and name ca) (resid   15   and name c)
      (resid   16   and name n) (resid   16   and name ca)    10   179.0   3.00 2
     assign (resid   16   and name ca) (resid   16   and name c)
      (resid   17   and name n) (resid   17   and name ca)    10  -179.2   3.00 2
     assign (resid   17   and name ca) (resid   17   and name c)
      (resid   18   and name n) (resid   18   and name ca)    10  -179.9   3.00 2
     assign (resid   18   and name ca) (resid   18   and name c)
      (resid   19   and name n) (resid   19   and name ca)    10  -180.0   3.00 2
     assign (resid   19   and name ca) (resid   19   and name c)
      (resid   20   and name n) (resid   20   and name ca)    10   179.0   3.00 2
     assign (resid   20   and name ca) (resid   20   and name c)
      (resid   21   and name n) (resid   21   and name ca)    10  -178.8   3.00 2
     assign (resid   21   and name ca) (resid   21   and name c)
      (resid   22   and name n) (resid   22   and name ca)    10  -179.7   3.00 2
     assign (resid   22   and name ca) (resid   22   and name c)
      (resid   23   and name n) (resid   23   and name ca)    10   179.1   3.00 2
     assign (resid   23   and name ca) (resid   23   and name c)
      (resid   24   and name n) (resid   24   and name ca)    10  -179.5   3.00 2
     assign (resid   24   and name ca) (resid   24   and name c)
      (resid   25   and name n) (resid   25   and name ca)    10   178.8   3.00 2
     assign (resid   25   and name ca) (resid   25   and name c)
      (resid   26   and name n) (resid   26   and name ca)    10  -179.7   3.00 2
     assign (resid   26   and name ca) (resid   26   and name c)
      (resid   27   and name n) (resid   27   and name ca)    10  -180.0   3.00 2
     assign (resid   27   and name ca) (resid   27   and name c)
      (resid   28   and name n) (resid   28   and name ca)    10   179.9   3.00 2
     assign (resid   28   and name ca) (resid   28   and name c)
      (resid   29   and name n) (resid   29   and name ca)    10   179.0   3.00 2
     assign (resid   29   and name ca) (resid   29   and name c)
      (resid   30   and name n) (resid   30   and name ca)    10  -179.4   3.00 2
     assign (resid   30   and name ca) (resid   30   and name c)
      (resid   31   and name n) (resid   31   and name ca)    10   179.9   3.00 2
     assign (resid   31   and name ca) (resid   31   and name c)
      (resid   32   and name n) (resid   32   and name ca)    10  -179.4   3.00 2
     assign (resid   32   and name ca) (resid   32   and name c)
      (resid   33   and name n) (resid   33   and name ca)    10   179.2   3.00 2
     assign (resid   33   and name ca) (resid   33   and name c)
      (resid   34   and name n) (resid   34   and name ca)    10   179.7   3.00 2
     assign (resid   34   and name ca) (resid   34   and name c)
      (resid   35   and name n) (resid   35   and name ca)    10  -179.9   3.00 2
     assign (resid   35   and name ca) (resid   35   and name c)
      (resid   36   and name n) (resid   36   and name ca)    10  -179.7   3.00 2
     assign (resid   36   and name ca) (resid   36   and name c)
      (resid   37   and name n) (resid   37   and name ca)    10   179.2   3.00 2
     assign (resid   37   and name ca) (resid   37   and name c)
      (resid   38   and name n) (resid   38   and name ca)    10   180.0   3.00 2
     assign (resid   38   and name ca) (resid   38   and name c)
      (resid   39   and name n) (resid   39   and name ca)    10  -179.1   3.00 2
     assign (resid   39   and name ca) (resid   39   and name c)
      (resid   40   and name n) (resid   40   and name ca)    10   179.6   3.00 2
     assign (resid   40   and name ca) (resid   40   and name c)
      (resid   41   and name n) (resid   41   and name ca)    10   179.9   3.00 2
     assign (resid   41   and name ca) (resid   41   and name c)
      (resid   42   and name n) (resid   42   and name ca)    10  -179.8   3.00 2
     assign (resid   42   and name ca) (resid   42   and name c)
      (resid   43   and name n) (resid   43   and name ca)    10  -179.9   3.00 2
     assign (resid   43   and name ca) (resid   43   and name c)
      (resid   44   and name n) (resid   44   and name ca)    10   179.7   3.00 2
     assign (resid   44   and name ca) (resid   44   and name c)
      (resid   45   and name n) (resid   45   and name ca)    10   179.8   3.00 2
     assign (resid   45   and name ca) (resid   45   and name c)
      (resid   46   and name n) (resid   46   and name ca)    10  -179.5   3.00 2
     assign (resid   46   and name ca) (resid   46   and name c)
      (resid   47   and name n) (resid   47   and name ca)    10  -180.0   3.00 2
     assign (resid   47   and name ca) (resid   47   and name c)
      (resid   48   and name n) (resid   48   and name ca)    10   179.3   3.00 2
     assign (resid   48   and name ca) (resid   48   and name c)
      (resid   49   and name n) (resid   49   and name ca)    10  -179.7   3.00 2
     assign (resid   49   and name ca) (resid   49   and name c)
      (resid   50   and name n) (resid   50   and name ca)    10   179.8   3.00 2
     assign (resid   50   and name ca) (resid   50   and name c)
      (resid   51   and name n) (resid   51   and name ca)    10   179.4   3.00 2
     assign (resid   51   and name ca) (resid   51   and name c)
      (resid   52   and name n) (resid   52   and name ca)    10   179.4   3.00 2
     assign (resid   52   and name ca) (resid   52   and name c)
      (resid   53   and name n) (resid   53   and name ca)    10  -178.3   3.00 2
     assign (resid   53   and name ca) (resid   53   and name c)
      (resid   54   and name n) (resid   54   and name ca)    10  -178.3   3.00 2
     assign (resid   54   and name ca) (resid   54   and name c)
      (resid   55   and name n) (resid   55   and name ca)    10  -178.8   3.00 2
     assign (resid   55   and name ca) (resid   55   and name c)
      (resid   56   and name n) (resid   56   and name ca)    10   179.7   3.00 2
     assign (resid   56   and name ca) (resid   56   and name c)
      (resid   57   and name n) (resid   57   and name ca)    10  -178.4   3.00 2
     assign (resid   57   and name ca) (resid   57   and name c)
      (resid   58   and name n) (resid   58   and name ca)    10   179.8   3.00 2
     assign (resid   58   and name ca) (resid   58   and name c)
      (resid   59   and name n) (resid   59   and name ca)    10  -180.0   3.00 2
     assign (resid   59   and name ca) (resid   59   and name c)
      (resid   60   and name n) (resid   60   and name ca)    10  -179.5   3.00 2
     assign (resid   60   and name ca) (resid   60   and name c)
      (resid   61   and name n) (resid   61   and name ca)    10   179.4   3.00 2
     assign (resid   61   and name ca) (resid   61   and name c)
      (resid   62   and name n) (resid   62   and name ca)    10  -180.0   3.00 2
     assign (resid   62   and name ca) (resid   62   and name c)
      (resid   63   and name n) (resid   63   and name ca)    10  -179.3   3.00 2
     assign (resid   63   and name ca) (resid   63   and name c)
      (resid   64   and name n) (resid   64   and name ca)    10   179.7   3.00 2
     assign (resid   64   and name ca) (resid   64   and name c)
      (resid   65   and name n) (resid   65   and name ca)    10  -179.7   3.00 2
     assign (resid   65   and name ca) (resid   65   and name c)
      (resid   66   and name n) (resid   66   and name ca)    10  -179.9   3.00 2
     assign (resid   66   and name ca) (resid   66   and name c)
      (resid   67   and name n) (resid   67   and name ca)    10   179.8   3.00 2
     assign (resid   67   and name ca) (resid   67   and name c)
      (resid   68   and name n) (resid   68   and name ca)    10   179.2   3.00 2
     assign (resid   68   and name ca) (resid   68   and name c)
      (resid   69   and name n) (resid   69   and name ca)    10   178.8   3.00 2
     assign (resid   69   and name ca) (resid   69   and name c)
      (resid   70   and name n) (resid   70   and name ca)    10  -179.5   3.00 2
     assign (resid   70   and name ca) (resid   70   and name c)
      (resid   71   and name n) (resid   71   and name ca)    10  -179.1   3.00 2
     assign (resid   71   and name ca) (resid   71   and name c)
      (resid   72   and name n) (resid   72   and name ca)    10  -179.1   3.00 2
     assign (resid   72   and name ca) (resid   72   and name c)
      (resid   73   and name n) (resid   73   and name ca)    10   179.4   3.00 2
     assign (resid   73   and name ca) (resid   73   and name c)
      (resid   74   and name n) (resid   74   and name ca)    10  -179.7   3.00 2
     assign (resid   74   and name ca) (resid   74   and name c)
      (resid   75   and name n) (resid   75   and name ca)    10  -179.0   3.00 2
     assign (resid   75   and name ca) (resid   75   and name c)
      (resid   76   and name n) (resid   76   and name ca)    10   178.5   3.00 2
!PHI
     assign (resid    1   and name c) (resid    2   and name n)     
      (resid    2   and name ca) (resid    2   and name c)    10     -70.0   10.00 2
     assign (resid    2   and name c) (resid    3   and name n)
      (resid    3   and name ca) (resid    3   and name c)    10     -70.0   10.00 2
     assign (resid    3   and name c) (resid    4   and name n)
      (resid    4   and name ca) (resid    4   and name c)    10    -157.7   10.00 2
     assign (resid    4   and name c) (resid    5   and name n)
      (resid    5   and name ca) (resid    5   and name c)    10     -70.0   10.00 2
     assign (resid    5   and name c) (resid    6   and name n)
      (resid    6   and name ca) (resid    6   and name c)    10     -50.0   10.00 2
     assign (resid    6   and name c) (resid    7   and name n)
      (resid    7   and name ca) (resid    7   and name c)    10     -70.0   10.00 2
     assign (resid    7   and name c) (resid    8   and name n)
      (resid    8   and name ca) (resid    8   and name c)    10     -60.0   10.00 2
     assign (resid    8   and name c) (resid    9   and name n)
      (resid    9   and name ca) (resid    9   and name c)    10     -50.0   10.00 2
     assign (resid    9   and name c) (resid   10   and name n)
      (resid   10   and name ca) (resid   10   and name c)    10     -53.9   10.00 2
     assign (resid   10   and name c) (resid   11   and name n)
      (resid   11   and name ca) (resid   11   and name c)    10     -60.0   17.00 2
     assign (resid   11   and name c) (resid   12   and name n)
      (resid   12   and name ca) (resid   12   and name c)    10     -70.0   10.00 2
     assign (resid   12   and name c) (resid   13   and name n)
      (resid   13   and name ca) (resid   13   and name c)    10     -60.0   10.00 2
     assign (resid   13   and name c) (resid   14   and name n)
      (resid   14   and name ca) (resid   14   and name c)    10     -60.0   10.00 2
     assign (resid   14   and name c) (resid   15   and name n)
      (resid   15   and name ca) (resid   15   and name c)    10     -65.0   10.00 2
     assign (resid   15   and name c) (resid   16   and name n)
      (resid   16   and name ca) (resid   16   and name c)    10     -55.0   10.00 2
     assign (resid   16   and name c) (resid   17   and name n)
      (resid   17   and name ca) (resid   17   and name c)    10     -70.0   10.00 2
     assign (resid   17   and name c) (resid   18   and name n)
      (resid   18   and name ca) (resid   18   and name c)    10     -70.0   10.00 2
     assign (resid   18   and name c) (resid   19   and name n)
      (resid   19   and name ca) (resid   19   and name c)    10     -75.0   10.00 2
     assign (resid   19   and name c) (resid   20   and name n)
      (resid   20   and name ca) (resid   20   and name c)    10     -70.0   20.00 2
     assign (resid   20   and name c) (resid   21   and name n)
      (resid   21   and name ca) (resid   21   and name c)    10     -68.6   10.00 2
     assign (resid   21   and name c) (resid   22   and name n)
      (resid   22   and name ca) (resid   22   and name c)    10     -90.0   10.00 2
     assign (resid   22   and name c) (resid   23   and name n)
      (resid   23   and name ca) (resid   23   and name c)    10      60.0   10.00 2
     assign (resid   23   and name c) (resid   24   and name n)
      (resid   24   and name ca) (resid   24   and name c)    10     -86.9   10.00 2
     assign (resid   24   and name c) (resid   25   and name n)
      (resid   25   and name ca) (resid   25   and name c)    10      50.0   20.00 2
     assign (resid   25   and name c) (resid   26   and name n)
      (resid   26   and name ca) (resid   26   and name c)    10    -140.8   10.00 2
     assign (resid   26   and name c) (resid   27   and name n)
      (resid   27   and name ca) (resid   27   and name c)    10     -81.3   10.00 2
     assign (resid   27   and name c) (resid   28   and name n)
      (resid   28   and name ca) (resid   28   and name c)    10     -70.0   10.00 2
     assign (resid   28   and name c) (resid   29   and name n)
      (resid   29   and name ca) (resid   29   and name c)    10     -55.0   10.00 2
     assign (resid   29   and name c) (resid   30   and name n)
      (resid   30   and name ca) (resid   30   and name c)    10     -55.0   10.00 2
     assign (resid   30   and name c) (resid   31   and name n)
      (resid   31   and name ca) (resid   31   and name c)    10     -65.0   10.00 2
     assign (resid   31   and name c) (resid   32   and name n)
      (resid   32   and name ca) (resid   32   and name c)    10     -55.0   10.00 2
     assign (resid   32   and name c) (resid   33   and name n)
      (resid   33   and name ca) (resid   33   and name c)    10     -65.0   10.00 2
     assign (resid   33   and name c) (resid   34   and name n)
      (resid   34   and name ca) (resid   34   and name c)    10     -55.9   10.00 2
     assign (resid   34   and name c) (resid   35   and name n)
      (resid   35   and name ca) (resid   35   and name c)    10     -64.0   10.00 2
     assign (resid   35   and name c) (resid   36   and name n)
      (resid   36   and name ca) (resid   36   and name c)    10     -50.0   10.00 2
     assign (resid   36   and name c) (resid   37   and name n)
      (resid   37   and name ca) (resid   37   and name c)    10     -65.0   10.00 2
     assign (resid   37   and name c) (resid   38   and name n)
      (resid   38   and name ca) (resid   38   and name c)    10     -55.0   20.00 2
     assign (resid   38   and name c) (resid   39   and name n)
      (resid   39   and name ca) (resid   39   and name c)    10     -80.0   20.00 2
     assign (resid   39   and name c) (resid   40   and name n)
      (resid   40   and name ca) (resid   40   and name c)    10      70.0   20.00 2
     assign (resid   40   and name c) (resid   41   and name n)
      (resid   41   and name ca) (resid   41   and name c)    10    -140.0   20.00 2
     assign (resid   41   and name c) (resid   42   and name n)
      (resid   42   and name ca) (resid   42   and name c)    10    -140.0   20.00 2
     assign (resid   42   and name c) (resid   43   and name n)
      (resid   43   and name ca) (resid   43   and name c)    10     -81.6   10.00 2
     assign (resid   43   and name c) (resid   44   and name n)
      (resid   44   and name ca) (resid   44   and name c)    10     -85.2   10.00 2
     assign (resid   44   and name c) (resid   45   and name n)
      (resid   45   and name ca) (resid   45   and name c)    10     -58.6   10.00 2
     assign (resid   45   and name c) (resid   46   and name n)
      (resid   46   and name ca) (resid   46   and name c)    10     -62.8   10.00 2
     assign (resid   46   and name c) (resid   47   and name n)
      (resid   47   and name ca) (resid   47   and name c)    10     -60.0   10.00 2
     assign (resid   47   and name c) (resid   48   and name n)
      (resid   48   and name ca) (resid   48   and name c)    10     -64.6   10.00 2
     assign (resid   48   and name c) (resid   49   and name n)
      (resid   49   and name ca) (resid   49   and name c)    10     -62.6   10.00 2
     assign (resid   49   and name c) (resid   50   and name n)
      (resid   50   and name ca) (resid   50   and name c)    10     -75.0   10.00 2
     assign (resid   50   and name c) (resid   51   and name n)
      (resid   51   and name ca) (resid   51   and name c)    10     -54.2   10.00 2
     assign (resid   51   and name c) (resid   52   and name n)
      (resid   52   and name ca) (resid   52   and name c)    10     -70.0   10.00 2
     assign (resid   52   and name c) (resid   53   and name n)
      (resid   53   and name ca) (resid   53   and name c)    10     -50.0   10.00 2
     assign (resid   53   and name c) (resid   54   and name n)
      (resid   54   and name ca) (resid   54   and name c)    10     -70.0   10.00 2
     assign (resid   54   and name c) (resid   55   and name n)
      (resid   55   and name ca) (resid   55   and name c)    10    -100.0   20.00 2
     assign (resid   55   and name c) (resid   56   and name n)
      (resid   56   and name ca) (resid   56   and name c)    10     -60.0   30.00 2
     assign (resid   56   and name c) (resid   57   and name n)
      (resid   57   and name ca) (resid   57   and name c)    10     -80.0   10.00 2
     assign (resid   57   and name c) (resid   58   and name n)
      (resid   58   and name ca) (resid   58   and name c)    10     -89.0   10.00 2
     assign (resid   58   and name c) (resid   59   and name n)
      (resid   59   and name ca) (resid   59   and name c)    10      40.0   30.00 2
     assign (resid   59   and name c) (resid   60   and name n)
      (resid   60   and name ca) (resid   60   and name c)    10     -75.5   10.00 2
     assign (resid   60   and name c) (resid   61   and name n)
      (resid   61   and name ca) (resid   61   and name c)    10      90.0   10.00 2
     assign (resid   61   and name c) (resid   62   and name n)
      (resid   62   and name ca) (resid   62   and name c)    10    -160.0   10.00 2
     assign (resid   62   and name c) (resid   63   and name n)
      (resid   63   and name ca) (resid   63   and name c)    10    -160.0   30.00 2
     assign (resid   63   and name c) (resid   64   and name n)
      (resid   64   and name ca) (resid   64   and name c)    10    -130.0   20.00 2
     assign (resid   64   and name c) (resid   65   and name n)
      (resid   65   and name ca) (resid   65   and name c)    10     -70.0   10.00 2
     assign (resid   65   and name c) (resid   66   and name n)
      (resid   66   and name ca) (resid   66   and name c)    10     -56.9   10.00 2
     assign (resid   66   and name c) (resid   67   and name n)
      (resid   67   and name ca) (resid   67   and name c)    10     -69.5   10.00 2
     assign (resid   67   and name c) (resid   68   and name n)
      (resid   68   and name ca) (resid   68   and name c)    10     -60.0   10.00 2
     assign (resid   68   and name c) (resid   69   and name n)
      (resid   69   and name ca) (resid   69   and name c)    10     -58.5   10.00 2
     assign (resid   69   and name c) (resid   69   and name n)
      (resid   70   and name ca) (resid   70   and name c)    10     -59.8   10.00 2
     assign (resid   70   and name c) (resid   71   and name n)
      (resid   71   and name ca) (resid   71   and name c)    10     -54.4   10.00 2
     assign (resid   71   and name c) (resid   72   and name n)
      (resid   72   and name ca) (resid   72   and name c)    10     -61.9   10.00 2
     assign (resid   72   and name c) (resid   73   and name n)
      (resid   73   and name ca) (resid   73   and name c)    10     -62.1   10.00 2
     assign (resid   73   and name c) (resid   74   and name n)
      (resid   74   and name ca) (resid   74   and name c)    10     -60.0   10.00 2
     assign (resid   74   and name c) (resid   75   and name n)
      (resid   75   and name ca) (resid   75   and name c)    10     -55.0   10.00 2
PSI(n+1)
     assign (resid    2   and name n) (resid    2   and name ca)       
      (resid    2   and name c) (resid    3   and name n)    10    -60.0    10.00 2  
     assign (resid    3   and name n) (resid    3   and name ca)
      (resid    3   and name c) (resid    4   and name n)    10    -50.0    10.00 2  
     assign (resid    4   and name n) (resid    4   and name ca)
      (resid    4   and name c) (resid    5   and name n)    10    172.9    10.00 2  
     assign (resid    5   and name n) (resid    5   and name ca)
      (resid    5   and name c) (resid    6   and name n)    10    140.0    10.00 2  
     assign (resid    6   and name n) (resid    6   and name ca)
      (resid    6   and name c) (resid    7   and name n)    10    -31.5    10.00 2  
     assign (resid    7   and name n) (resid    7   and name ca)
      (resid    7   and name c) (resid    8   and name n)    10    -57.6    10.00 2  
     assign (resid    8   and name n) (resid    8   and name ca)
      (resid    8   and name c) (resid    9   and name n)    10    -43.8    10.00 2  
     assign (resid    9   and name n) (resid    9   and name ca)
      (resid    9   and name c) (resid   10   and name n)    10    -61.5    10.00 2  
     assign (resid   10   and name n) (resid   10   and name ca)
      (resid   10   and name c) (resid   11   and name n)    10    -57.9    10.00 2  
     assign (resid   11   and name n) (resid   11   and name ca)
      (resid   11   and name c) (resid   12   and name n)    10    -40.0    17.00 2  
     assign (resid   12   and name n) (resid   12   and name ca)
      (resid   12   and name c) (resid   13   and name n)    10    -36.7    10.00 2  
     assign (resid   13   and name n) (resid   13   and name ca)
      (resid   13   and name c) (resid   14   and name n)    10    -47.3    10.00 2  
     assign (resid   14   and name n) (resid   14   and name ca)
      (resid   14   and name c) (resid   15   and name n)    10    -38.3    10.00 2  
     assign (resid   15   and name n) (resid   15   and name ca)
      (resid   15   and name c) (resid   16   and name n)    10    -36.3    10.00 2  
     assign (resid   16   and name n) (resid   16   and name ca)
      (resid   16   and name c) (resid   17   and name n)    10    -45.4    10.00 2  
     assign (resid   17   and name n) (resid   17   and name ca)
      (resid   17   and name c) (resid   18   and name n)    10    -42.5    10.00 2  
     assign (resid   18   and name n) (resid   18   and name ca)
      (resid   18   and name c) (resid   19   and name n)    10    -38.0    10.00 2  
     assign (resid   19   and name n) (resid   19   and name ca)
      (resid   19   and name c) (resid   20   and name n)    10    -29.6    27.00 2  
     assign (resid   20   and name n) (resid   20   and name ca)
      (resid   20   and name c) (resid   21   and name n)    10     80.0    10.00 2  
     assign (resid   21   and name n) (resid   21   and name ca)
      (resid   21   and name c) (resid   22   and name n)    10    -30.2    10.00 2  
     assign (resid   22   and name n) (resid   22   and name ca)
      (resid   22   and name c) (resid   23   and name n)    10    -16.8    10.00 2  
     assign (resid   23   and name n) (resid   23   and name ca)
      (resid   23   and name c) (resid   24   and name n)    10     25.0    10.00 2
     assign (resid   24   and name n) (resid   24   and name ca)
      (resid   24   and name c) (resid   25   and name n)    10     10.0    10.00 2  
     assign (resid   25   and name n) (resid   25   and name ca)
      (resid   25   and name c) (resid   26   and name n)    10     35.0    17.00 2
     assign (resid   26   and name n) (resid   26   and name ca)
      (resid   26   and name c) (resid   27   and name n)    10    130.0    20.00 2  
     assign (resid   27   and name n) (resid   27   and name ca)
      (resid   27   and name c) (resid   28   and name n)    10    117.6    10.00 2  
     assign (resid   28   and name n) (resid   28   and name ca)
      (resid   28   and name c) (resid   29   and name n)    10    177.4    10.00 2  
     assign (resid   29   and name n) (resid   29   and name ca)
      (resid   29   and name c) (resid   30   and name n)    10    -35.7    10.00 2  
     assign (resid   30   and name n) (resid   30   and name ca)
      (resid   30   and name c) (resid   31   and name n)    10    -41.2    10.00 2  
     assign (resid   31   and name n) (resid   31   and name ca)
      (resid   31   and name c) (resid   32   and name n)    10    -30.0    10.00 2  
     assign (resid   32   and name n) (resid   32   and name ca)
      (resid   32   and name c) (resid   33   and name n)    10    -36.1    10.00 2  
     assign (resid   33   and name n) (resid   33   and name ca)
      (resid   33   and name c) (resid   34   and name n)    10    -42.8    10.00 2  
     assign (resid   34   and name n) (resid   34   and name ca)
      (resid   34   and name c) (resid   35   and name n)    10    -49.7    10.00 2  
     assign (resid   35   and name n) (resid   35   and name ca)
      (resid   35   and name c) (resid   36   and name n)    10    -59.5    10.00 2  
     assign (resid   36   and name n) (resid   36   and name ca)
      (resid   36   and name c) (resid   37   and name n)    10    -35.6    10.00 2  
     assign (resid   37   and name n) (resid   37   and name ca)
      (resid   37   and name c) (resid   38   and name n)    10    -37.5    10.00 2  
     assign (resid   38   and name n) (resid   38   and name ca
      (resid   38   and name c) (resid   39   and name n)    10    -27.8    10.00 2  
     assign (resid   39   and name n) (resid   39   and name ca)
      (resid   39   and name c) (resid   40   and name n)    10    - 0.0    30.00 2  
     assign (resid   40   and name n) (resid   40   and name ca)
      (resid   40   and name c) (resid   41   and name n)    10     70.0    20.00 2
     assign (resid   41   and name n) (resid   41   and name ca)
      (resid   41   and name c) (resid   42   and name n)    10    150.0    20.00 2  
     assign (resid   42   and name n) (resid   42   and name ca)
      (resid   42   and name c) (resid   43   and name n)    10    140.0    30.00 2  
     assign (resid   43   and name n) (resid   43   and name ca)
      (resid   43   and name c) (resid   44   and name n)    10    142.4    10.00 2  
     assign (resid   44   and name n) (resid   44   and name ca)
      (resid   44   and name c) (resid   45   and name n)    10    165.3    10.00 2  
     assign (resid   45   and name n) (resid   45   and name ca)
      (resid   45   and name c) (resid   46   and name n)    10    -43.1    10.00 2  
     assign (resid   46   and name n) (resid   46   and name ca)
      (resid   46   and name c) (resid   47   and name n)    10    -37.7    10.00 2  
     assign (resid   47   and name n) (resid   47   and name ca)
      (resid   47   and name c) (resid   48   and name n)    10    -40.0    10.00 2  
     assign (resid   48   and name n) (resid   48   and name ca)
      (resid   48   and name c) (resid   49   and name n)    10    -41.6    10.00 2  
     assign (resid   49   and name n) (resid   49   and name ca)
      (resid   49   and name c) (resid   50   and name n)    10    -46.3    10.00 2  
     assign (resid   50   and name n) (resid   50   and name ca)
      (resid   50   and name c) (resid   51   and name n)    10    -40.0    10.00 2  
     assign (resid   51   and name n) (resid   51   and name ca)
      (resid   51   and name c) (resid   52   and name n)    10    -40.2    10.00 2  
     assign (resid   52   and name n) (resid   52   and name ca)
      (resid   52   and name c) (resid   53   and name n)    10    -41.1    10.00 2  
     assign (resid   53   and name n) (resid   53   and name ca)
      (resid   53   and name c) (resid   54   and name n)    10    -41.4    10.00 2  
     assign (resid   54   and name n) (resid   54   and name ca)
      (resid   54   and name c) (resid   55   and name n)    10    -14.1    10.00 2  
     assign (resid   55   and name n) (resid   55   and name ca)
      (resid   55   and name c) (resid   56   and name n)    10     40.0    20.00 2  
     assign (resid   56   and name n) (resid   56   and name ca)
      (resid   56   and name c) (resid   57   and name n)    10    120.0    20.00 2  
     assign (resid   57   and name n) (resid   57   and name ca)
      (resid   57   and name c) (resid   58   and name n)    10    -14.7    10.00 2  
     assign (resid   58   and name n) (resid   58   and name ca)
      (resid   58   and name c) (resid   59   and name n)    10    -14.2    10.00 2  
     assign (resid   59   and name n) (resid   59   and name ca)
      (resid   59   and name c) (resid   60   and name n)    10     40.0    20.00 2
     assign (resid   60   and name n) (resid   60   and name ca)
      (resid   60   and name c) (resid   61   and name n)    10    -28.2    10.00 2  
     assign (resid   61   and name n) (resid   61   and name ca)
      (resid   61   and name c) (resid   62   and name n)    10     45.0    10.00 2
     assign (resid   62   and name n) (resid   62   and name ca)
      (resid   62   and name c) (resid   63   and name n)    10    140.0    20.00 2  
     assign (resid   63   and name n) (resid   63   and name ca)
      (resid   63   and name c) (resid   64   and name n)    10    140.0    20.00 2  
     assign (resid   64   and name n) (resid   64   and name ca)
      (resid   64   and name c) (resid   65   and name n)    10   -170.0    20.00 2  
     assign (resid   65   and name n) (resid   65   and name ca)
      (resid   65   and name c) (resid   66   and name n)    10    -62.6    10.00 2  
     assign (resid   66   and name n) (resid   66   and name ca)
      (resid   66   and name c) (resid   67   and name n)    10    -36.5    10.00 2  
     assign (resid   67   and name n) (resid   67   and name ca)
      (resid   67   and name c) (resid   68   and name n)    10    -43.6    10.00 2  
     assign (resid   68   and name n) (resid   68   and name ca)
      (resid   68   and name c) (resid   69   and name n)    10    -34.7    10.00 2  
     assign (resid   69   and name n) (resid   69   and name ca)
      (resid   69   and name c) (resid   70   and name n)    10    -50.5    10.00 2  
     assign (resid   70   and name n) (resid   70   and name ca)
      (resid   70   and name c) (resid   71   and name n)    10    -49.3    10.00 2  
     assign (resid   71   and name n) (resid   71   and name ca)
      (resid   71   and name c) (resid   72   and name n)    10    -52.1    10.00 2  
     assign (resid   72   and name n) (resid   72   and name ca)
      (resid   72   and name c) (resid   73   and name n)    10    -36.1    10.00 2  
     assign (resid   73   and name n) (resid   73   and name ca)
      (resid   73   and name c) (resid   74   and name n)    10    -30.0    10.00 2  
     assign (resid   74   and name n) (resid   74   and name ca)
      (resid   74   and name c) (resid   75   and name n)    10    -10.0    30.00 2  
     assign (resid   75   and name n) (resid   75   and name ca)
      (resid   75   and name c) (resid   76   and name n)    10    120.0    60.00 2  
      (resid   75   and name c) (resid   76   and name n)    10    -24.4    30.00 2  
!CHI-1
     assign (resid    3   and name n) (resid    3   and name ca)
      (resid    3   and name cb) (resid    3   and name cg)  10    -76.8    30.00 2  
     assign (resid    4   and name n) (resid    4   and name ca)
      (resid    4   and name cb) (resid    4   and name cg)  10   -106.0    30.00 2  
     assign (resid    5   and name n) (resid    5   and name ca)
      (resid    5   and name cb) (resid    5   and name cg2) 10    -27.5    30.00 2
     assign (resid    6   and name n) (resid    6   and name ca)
      (resid    6   and name cb) (resid    6   and name cg)  10   -172.9    10.00 2
     assign (resid    7   and name n) (resid    7   and name ca)
      (resid    7   and name cb) (resid    7   and name cg)  10    -64.9    10.00 2
     assign (resid    8   and name n) (resid    8   and name ca)
      (resid    8   and name cb) (resid    8   and name cg)  10   -171.6    10.00 2
     assign (resid    9   and name n) (resid    9   and name ca)
      (resid    9   and name cb) (resid    9   and name cg1) 10    -67.2    10.00 2
     assign (resid   11   and name n) (resid   11   and name ca)
      (resid   11   and name cb) (resid   11   and name cg)  10    -71.5    10.00 2
     assign (resid   12   and name n) (resid   12   and name ca)
      (resid   12   and name cb) (resid   12   and name cg)  10    -79.9    10.00 2
     assign (resid   13   and name n) (resid   13   and name ca)
      (resid   13   and name cb) (resid   13   and name cg)  10   -171.2    10.00 2
     assign (resid   14   and name n) (resid   14   and name ca)
      (resid   14   and name cb) (resid   14   and name cg)  10    -70.3    10.00 2
     assign (resid   16   and name n) (resid   16   and name ca)
      (resid   16   and name cb) (resid   16   and name cg)  10   -176.8    10.00 2
     assign (resid   17   and name n) (resid   17   and name ca)
      (resid   17   and name cb) (resid   17   and name og)  10   -173.5    10.00 2
     assign (resid   18   and name n) (resid   18   and name ca)
      (resid   18   and name cb) (resid   18   and name cg)  10    -68.7    10.00 2
     assign (resid   19   and name n) (resid   19   and name ca)
      (resid   19   and name cb) (resid   19   and name cg)  10    -42.3    25.10 2
     assign (resid   20   and name n) (resid   20   and name ca)
      (resid   20   and name cb) (resid   20   and name cg)  10   -173.8    15.10 2
     assign (resid   21   and name n) (resid   21   and name ca)
      (resid   21   and name cb) (resid   21   and name cg)  10     66.0    15.10 2
     assign (resid   22   and name n) (resid   22   and name ca)
      (resid   22   and name cb) (resid   22   and name cg)  10     56.9    10.00 2
     assign (resid   24   and name n) (resid   24   and name ca)
      (resid   24   and name cb) (resid   24   and name cg)  10     60.6    10.00 2
     assign (resid   26   and name n) (resid   26   and name ca)
      (resid   26   and name cb) (resid   26   and name cg2) 10    -74.1    10.00 2
     assign (resid   27   and name n) (resid   27   and name ca)
      (resid   27   and name cb) (resid   27   and name cg1) 10    -64.1    10.00 2
     assign (resid   28   and name n) (resid   28   and name ca)
      (resid   28   and name cb) (resid   28   and name cg2) 10    -64.7    15.00 2
     assign (resid   29   and name n) (resid   29   and name ca)
      (resid   29   and name cb) (resid   29   and name cg2) 10    -30.7    15.00 2
     assign (resid   30   and name n) (resid   30   and name ca)
      (resid   30   and name cb) (resid   30   and name cg)  10   -173.4    15.00 2
     assign (resid   31   and name n) (resid   31   and name ca)
      (resid   31   and name cb) (resid   31   and name cg)  10    -71.4    15.00 2
     assign (resid   32   and name n) (resid   32   and name ca)
      (resid   32   and name cb) (resid   32   and name cg)  10   -168.8    15.00 2
     assign (resid   34   and name n) (resid   34   and name ca)
      (resid   34   and name cb) (resid   34   and name cg2) 10    170.2    10.00 2
     assign (resid   35   and name n) (resid   35   and name ca)
      (resid   35   and name cb) (resid   35   and name cg1) 10   -179.6    10.00 2
     assign (resid   36   and name n) (resid   36   and name ca)
      (resid   36   and name cb) (resid   36   and name cg)  10    -77.8    10.00 2
     assign (resid   37   and name n) (resid   37   and name ca)
      (resid   37   and name cb) (resid   37   and name cg)  10   -177.8    15.00 2
     assign (resid   38   and name n) (resid   38   and name ca)
      (resid   38   and name cb) (resid   38   and name og)  10     68.6    10.00 2
     assign (resid   39   and name n) (resid   39   and name ca)
      (resid   39   and name cb) (resid   39   and name cg)  10    -52.4    30.00 2
     assign (resid   41   and name n) (resid   41   and name ca)
      (resid   41   and name cb) (resid   41   and name cg)  10    -67.0    10.00 2
     assign (resid   42   and name n) (resid   42   and name ca)
      (resid   42   and name cb) (resid   42   and name cg)  10   -168.0    10.00 2
     assign (resid   44   and name n) (resid   44   and name ca)
      (resid   44   and name cb) (resid   44   and name cg2) 10   -175.8    10.00 2
     assign (resid   45   and name n) (resid   45   and name ca)
      (resid   45   and name cb) (resid   45   and name cg)  10    -89.5    15.00 2
     assign (resid   47   and name n) (resid   47   and name ca)
      (resid   47   and name cb) (resid   47   and name cg)  10    -68.3    10.00 2
     assign (resid   48   and name n) (resid   48   and name ca)
      (resid   48   and name cb) (resid   48   and name cg)  10    -65.3    10.00 2
     assign (resid   49   and name n) (resid   49   and name ca)
      (resid   49   and name cb) (resid   49   and name cg)  10   -175.5    10.00 2
     assign (resid   50   and name n) (resid   50   and name ca)
      (resid   50   and name cb) (resid   50   and name cg)  10    -66.8    10.00 2
     assign (resid   51   and name n) (resid   51   and name ca)
      (resid   51   and name cb) (resid   51   and name cg)  10    -71.8    10.00 2
     assign (resid   52   and name n) (resid   52   and name ca)
      (resid   52   and name cb) (resid   52   and name cg1) 10    -70.5    10.00 2
     assign (resid   53   and name n) (resid   53   and name ca)
      (resid   53   and name cb) (resid   53   and name cg)  10   -171.2    10.00 2
     assign (resid   54   and name n) (resid   54   and name ca)
      (resid   54   and name cb) (resid   54   and name cg)  10     51.3    15.00 2
     assign (resid   55   and name n) (resid   55   and name ca)
      (resid   55   and name cb) (resid   55   and name cg1) 10    -73.7    10.00 2
     assign (resid   56   and name n) (resid   56   and name ca)
      (resid   56   and name cb) (resid   56   and name cg)  10    173.2    15.10 2
     assign (resid   58   and name n) (resid   58   and name ca)
      (resid   58   and name cb) (resid   58   and name cg)  10     58.8    10.00 2
     assign (resid   60   and name n) (resid   60   and name ca)
      (resid   60   and name cb) (resid   60   and name cg)  10     71.7    15.00 2
     assign (resid   62   and name n) (resid   62   and name ca)
      (resid   62   and name cb) (resid   62   and name cg2) 10    -62.4    15.10 2
     assign (resid   63   and name n) (resid   63   and name ca)
      (resid   63   and name cb) (resid   63   and name cg1) 10    -51.2    15.00 2
     assign (resid   64   and name n) (resid   64   and name ca)
      (resid   64   and name cb) (resid   64   and name cg)  10     56.2    15.00 2
     assign (resid   65   and name n) (resid   65   and name ca)
      (resid   65   and name cb) (resid   65   and name cg)  10    154.1    10.00 2
     assign (resid   67   and name n) (resid   67   and name ca)
      (resid   67   and name cb) (resid   67   and name cg)  10    -63.0    10.00 2
     assign (resid   68   and name n) (resid   68   and name ca)
      (resid   68   and name cb) (resid   68   and name cg)  10   -179.2    10.00 2
     assign (resid   69   and name n) (resid   69   and name ca)
      (resid   69   and name cb) (resid   69   and name cg)  10    168.9    15.10 2
     assign (resid   70   and name n) (resid   70   and name ca)
      (resid   70   and name cb) (resid   70   and name cg2) 10    -62.6    10.00 2
     assign (resid   71   and name n) (resid   71   and name ca)
      (resid   71   and name cb) (resid   71   and name cg)  10    173.1    10.00 2
     assign (resid   72   and name n) (resid   72   and name ca)
      (resid   72   and name cb) (resid   72   and name cg)  10    -72.9    10.00 2  
     assign (resid   74   and name n) (resid   74   and name ca)
      (resid   74   and name cb) (resid   74   and name cg)  10    -71.0    10.00 2  
     assign (resid   75   and name n) (resid   75   and name ca)
      (resid   75   and name cb) (resid   75   and name cg)  10   -170.1    10.00 2  
     assign (resid   76   and name n) (resid   76   and name ca)
      (resid   76   and name cb) (resid   76   and name cg)  10     60.0    10.00 2  

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           1H       ALA   1  48.827  15.893  17.283
    2    H2   ALA   1           2H       ALA   1  47.539  16.850  16.629
    3    H3   ALA   1           3H       ALA   1  47.243  15.854  17.973
    4    HA   ALA   1           HA       ALA   1  47.953  14.871  15.301
    5    HB1  ALA   1           3HB      ALA   1  48.778  13.506  17.243
    6    HB2  ALA   1           1HB      ALA   1  47.435  12.703  16.394
    7    HB3  ALA   1           2HB      ALA   1  47.139  13.541  17.936
    8    H    ASP   2           H        ASP   2  46.239  15.109  14.020
    9    HA   ASP   2           HA       ASP   2  43.664  15.783  15.285
   10    HB2  ASP   2           2HB      ASP   2  44.467  15.594  12.355
   11    HB3  ASP   2           1HB      ASP   2  42.840  16.023  12.935
   12    H    GLN   3           H        GLN   3  44.751  13.662  12.688
   13    HA   GLN   3           HA       GLN   3  42.591  11.730  13.274
   14    HB2  GLN   3           2HB      GLN   3  44.878  11.687  11.286
   15    HB3  GLN   3           1HB      GLN   3  43.730  10.348  11.505
   16    HG2  GLN   3           2HG      GLN   3  42.876  13.180  10.798
   17    HG3  GLN   3           1HG      GLN   3  43.196  11.915   9.587
   18   HE21  GLN   3          1HE2      GLN   3  40.755  13.440  11.178
   19   HE22  GLN   3          2HE2      GLN   3  39.630  12.108  11.196
   20    H    LEU   4           H        LEU   4  46.161  11.681  13.123
   21    HA   LEU   4           HA       LEU   4  46.261  10.267  15.660
   22    HB2  LEU   4           2HB      LEU   4  46.350   8.820  13.156
   23    HB3  LEU   4           1HB      LEU   4  47.915   8.717  13.989
   24    HG   LEU   4           HG       LEU   4  46.876   6.887  14.791
   25   HD11  LEU   4          1HD1      LEU   4  46.135   7.245  17.109
   26   HD12  LEU   4          2HD1      LEU   4  46.055   8.994  16.791
   27   HD13  LEU   4          3HD1      LEU   4  47.615   8.143  16.693
   28   HD21  LEU   4          3HD2      LEU   4  44.215   8.307  14.864
   29   HD22  LEU   4          1HD2      LEU   4  44.510   6.634  15.395
   30   HD23  LEU   4          2HD2      LEU   4  44.758   7.084  13.690
   31    H    THR   5           H        THR   5  48.899   9.514  15.671
   32    HA   THR   5           HA       THR   5  50.194  12.071  15.739
   33    HB   THR   5           HB       THR   5  52.181  10.918  16.321
   34    HG1  THR   5           HG1      THR   5  52.608   8.888  15.855
   35   HG21  THR   5          3HG2      THR   5  50.453  10.846  18.060
   36   HG22  THR   5          1HG2      THR   5  51.452   9.374  18.111
   37   HG23  THR   5          2HG2      THR   5  49.824   9.321  17.393
   38    H    GLU   6           H        GLU   6  52.025  12.774  14.468
   39    HA   GLU   6           HA       GLU   6  51.582  12.791  11.764
   40    HB2  GLU   6           2HB      GLU   6  53.091  14.290  13.016
   41    HB3  GLU   6           1HB      GLU   6  54.307  12.995  13.030
   42    HG2  GLU   6           2HG      GLU   6  53.262  13.624  10.342
   43    HG3  GLU   6           1HG      GLU   6  54.110  14.975  11.128
   44    H    GLU   7           H        GLU   7  53.162  10.241  13.552
   45    HA   GLU   7           HA       GLU   7  54.375   8.917  11.371
   46    HB2  GLU   7           2HB      GLU   7  52.952   7.681  13.748
   47    HB3  GLU   7           1HB      GLU   7  54.095   6.854  12.668
   48    HG2  GLU   7           2HG      GLU   7  54.781   9.258  14.402
   49    HG3  GLU   7           1HG      GLU   7  55.133   7.564  14.818
   50    H    GLN   8           H        GLN   8  51.183   8.316  12.765
   51    HA   GLN   8           HA       GLN   8  50.513   6.489  10.663
   52    HB2  GLN   8           2HB      GLN   8  49.340   6.624  12.855
   53    HB3  GLN   8           1HB      GLN   8  48.489   8.060  12.246
   54    HG2  GLN   8           2HG      GLN   8  47.027   6.182  11.934
   55    HG3  GLN   8           1HG      GLN   8  47.650   6.628  10.328
   56   HE21  GLN   8          1HE2      GLN   8  49.082   5.290   9.230
   57   HE22  GLN   8          2HE2      GLN   8  49.598   3.775   9.835
   58    H    ILE   9           H        ILE   9  49.786   9.859  11.035
   59    HA   ILE   9           HA       ILE   9  48.262  10.234   8.640
   60    HB   ILE   9           HB       ILE   9  50.115  12.160  10.058
   61   HG12  ILE   9          2HG1      ILE   9  47.098  11.808  10.107
   62   HG13  ILE   9          1HG1      ILE   9  48.230  11.359  11.402
   63   HG21  ILE   9          1HG2      ILE   9  48.913  13.956   8.854
   64   HG22  ILE   9          2HG2      ILE   9  48.035  12.731   7.908
   65   HG23  ILE   9          3HG2      ILE   9  49.799  12.896   7.733
   66   HD11  ILE   9          3HD1      ILE   9  48.868  13.732  11.674
   67   HD12  ILE   9          1HD1      ILE   9  47.117  13.503  11.898
   68   HD13  ILE   9          2HD1      ILE   9  47.738  14.184  10.375
   69    H    ALA  10           H        ALA  10  51.725  10.398   9.152
   70    HA   ALA  10           HA       ALA  10  52.529  11.132   6.535
   71    HB1  ALA  10           3HB      ALA  10  54.117  11.173   8.417
   72    HB2  ALA  10           1HB      ALA  10  54.730  10.159   7.088
   73    HB3  ALA  10           2HB      ALA  10  54.030   9.400   8.538
   74    H    GLU  11           H        GLU  11  52.331   7.902   8.110
   75    HA   GLU  11           HA       GLU  11  52.774   6.466   5.756
   76    HB2  GLU  11           2HB      GLU  11  51.063   5.744   8.122
   77    HB3  GLU  11           1HB      GLU  11  51.307   4.658   6.737
   78    HG2  GLU  11           2HG      GLU  11  53.116   3.891   7.815
   79    HG3  GLU  11           1HG      GLU  11  53.892   5.446   7.429
   80    H    PHE  12           H        PHE  12  49.789   7.908   6.880
   81    HA   PHE  12           HA       PHE  12  48.201   6.744   4.769
   82    HB2  PHE  12           2HB      PHE  12  47.759   9.302   6.304
   83    HB3  PHE  12           1HB      PHE  12  46.629   8.689   5.077
   84    HD1  PHE  12           HD1      PHE  12  47.961   5.756   6.451
   85    HD2  PHE  12           HD2      PHE  12  45.403   9.099   7.504
   86    HE1  PHE  12           HE1      PHE  12  46.777   4.318   8.124
   87    HE2  PHE  12           HE2      PHE  12  44.219   7.660   9.180
   88    HZ   PHE  12           HZ       PHE  12  44.872   5.265   9.427
   89    H    LYS  13           H        LYS  13  50.335   9.459   4.827
   90    HA   LYS  13           HA       LYS  13  49.617  10.403   2.169
   91    HB2  LYS  13           2HB      LYS  13  50.725  11.848   3.809
   92    HB3  LYS  13           1HB      LYS  13  52.165  10.813   3.738
   93    HG2  LYS  13           2HG      LYS  13  51.252  11.939   1.154
   94    HG3  LYS  13           1HG      LYS  13  51.864  13.105   2.347
   95    HD2  LYS  13           2HD      LYS  13  53.387  10.656   1.402
   96    HD3  LYS  13           1HD      LYS  13  53.589  12.292   0.737
   97    HE2  LYS  13           2HE      LYS  13  54.306  13.107   2.962
   98    HE3  LYS  13           1HE      LYS  13  54.113  11.465   3.621
   99    HZ1  LYS  13           3HZ      LYS  13  56.407  12.061   2.943
  100    HZ2  LYS  13           1HZ      LYS  13  55.880  12.091   1.336
  101    HZ3  LYS  13           2HZ      LYS  13  55.806  10.664   2.217
  102    H    GLU  14           H        GLU  14  52.075   8.144   3.512
  103    HA   GLU  14           HA       GLU  14  53.151   7.583   0.956
  104    HB2  GLU  14           2HB      GLU  14  53.060   5.816   3.402
  105    HB3  GLU  14           1HB      GLU  14  54.026   5.507   1.943
  106    HG2  GLU  14           2HG      GLU  14  54.315   7.864   3.842
  107    HG3  GLU  14           1HG      GLU  14  55.424   6.485   3.681
  108    H    ALA  15           H        ALA  15  50.489   6.221   2.656
  109    HA   ALA  15           HA       ALA  15  49.889   4.038   0.916
  110    HB1  ALA  15           3HB      ALA  15  48.840   4.235   3.128
  111    HB2  ALA  15           1HB      ALA  15  47.601   4.103   1.857
  112    HB3  ALA  15           2HB      ALA  15  47.955   5.684   2.594
  113    H    PHE  16           H        PHE  16  49.038   7.466   0.877
  114    HA   PHE  16           HA       PHE  16  47.231   7.324  -1.287
  115    HB2  PHE  16           2HB      PHE  16  47.551   9.276   0.255
  116    HB3  PHE  16           1HB      PHE  16  49.060   9.642  -0.614
  117    HD1  PHE  16           HD2      PHE  16  45.519   8.662  -1.505
  118    HD2  PHE  16           HD1      PHE  16  48.881  11.322  -2.202
  119    HE1  PHE  16           HE2      PHE  16  44.237   9.808  -3.328
  120    HE2  PHE  16           HE1      PHE  16  47.588  12.479  -4.015
  121    HZ   PHE  16           HZ       PHE  16  45.296  11.677  -4.594
  122    H    SER  17           H        SER  17  50.726   7.808  -1.185
  123    HA   SER  17           HA       SER  17  51.129   8.037  -3.990
  124    HB2  SER  17           2HB      SER  17  52.790   8.493  -2.193
  125    HB3  SER  17           1HB      SER  17  52.966   6.741  -1.953
  126    HG   SER  17           HG       SER  17  53.486   8.128  -4.366
  127    H    LEU  18           H        LEU  18  51.037   5.179  -1.944
  128    HA   LEU  18           HA       LEU  18  51.558   3.233  -3.967
  129    HB2  LEU  18           2HB      LEU  18  50.045   3.094  -1.355
  130    HB3  LEU  18           1HB      LEU  18  50.307   1.674  -2.390
  131    HG   LEU  18           HG       LEU  18  52.752   3.172  -1.858
  132   HD11  LEU  18          1HD1      LEU  18  53.050   2.443   0.472
  133   HD12  LEU  18          2HD1      LEU  18  51.354   1.906   0.514
  134   HD13  LEU  18          3HD1      LEU  18  51.736   3.631   0.300
  135   HD21  LEU  18          3HD2      LEU  18  51.962   0.272  -1.465
  136   HD22  LEU  18          1HD2      LEU  18  53.615   0.919  -1.339
  137   HD23  LEU  18          2HD2      LEU  18  52.753   0.978  -2.895
  138    H    PHE  19           H        PHE  19  48.700   5.015  -3.204
  139    HA   PHE  19           HA       PHE  19  46.988   3.175  -4.662
  140    HB2  PHE  19           2HB      PHE  19  46.437   5.923  -3.538
  141    HB3  PHE  19           1HB      PHE  19  45.228   4.829  -4.247
  142    HD1  PHE  19           HD1      PHE  19  46.919   2.300  -2.966
  143    HD2  PHE  19           HD2      PHE  19  45.058   5.941  -1.501
  144    HE1  PHE  19           HE1      PHE  19  46.626   1.237  -0.718
  145    HE2  PHE  19           HE2      PHE  19  44.761   4.875   0.744
  146    HZ   PHE  19           HZ       PHE  19  45.545   2.538   1.117
  147    H    ASP  20           H        ASP  20  47.940   6.567  -5.098
  148    HA   ASP  20           HA       ASP  20  47.355   6.362  -7.944
  149    HB2  ASP  20           2HB      ASP  20  46.693   8.319  -6.421
  150    HB3  ASP  20           1HB      ASP  20  48.398   8.816  -6.544
  151    H    LYS  21           H        LYS  21  48.725   4.954  -8.154
  152    HA   LYS  21           HA       LYS  21  51.635   5.155  -8.035
  153    HB2  LYS  21           2HB      LYS  21  51.884   3.103  -8.963
  154    HB3  LYS  21           1HB      LYS  21  50.262   2.997  -8.261
  155    HG2  LYS  21           2HG      LYS  21  50.928   3.253 -11.198
  156    HG3  LYS  21           1HG      LYS  21  50.408   1.786 -10.346
  157    HD2  LYS  21           2HD      LYS  21  48.779   4.183 -11.161
  158    HD3  LYS  21           1HD      LYS  21  48.472   2.452 -11.444
  159    HE2  LYS  21           2HE      LYS  21  48.704   2.848  -8.635
  160    HE3  LYS  21           1HE      LYS  21  47.620   4.108  -9.264
  161    HZ1  LYS  21           3HZ      LYS  21  46.439   2.424 -10.367
  162    HZ2  LYS  21           1HZ      LYS  21  46.365   2.402  -8.669
  163    HZ3  LYS  21           2HZ      LYS  21  47.385   1.226  -9.464
  164    H    ASP  22           H        ASP  22  49.317   6.302 -10.339
  165    HA   ASP  22           HA       ASP  22  51.400   6.715 -12.351
  166    HB2  ASP  22           2HB      ASP  22  49.443   7.737 -13.613
  167    HB3  ASP  22           1HB      ASP  22  49.336   5.996 -13.265
  168    H    GLY  23           H        GLY  23  49.651   8.340  -9.825
  169    HA2  GLY  23           2HA      GLY  23  50.242  10.317  -8.746
  170    HA3  GLY  23           1HA      GLY  23  51.566  10.551  -9.907
  171    H    ASP  24           H        ASP  24  48.077   9.994 -10.680
  172    HA   ASP  24           HA       ASP  24  48.159  12.321 -12.413
  173    HB2  ASP  24           2HB      ASP  24  46.002  11.518 -13.268
  174    HB3  ASP  24           1HB      ASP  24  47.287  10.299 -13.417
  175    H    GLY  25           H        GLY  25  47.427  11.689  -9.345
  176    HA2  GLY  25           2HA      GLY  25  46.579  13.178  -7.660
  177    HA3  GLY  25           1HA      GLY  25  46.000  14.247  -8.954
  178    H    THR  26           H        THR  26  45.177  10.834  -9.279
  179    HA   THR  26           HA       THR  26  42.586  11.256  -8.062
  180    HB   THR  26           HB       THR  26  41.563  10.519 -10.347
  181    HG1  THR  26           HG1      THR  26  42.693  11.121 -12.128
  182   HG21  THR  26          3HG2      THR  26  41.049  12.707  -9.323
  183   HG22  THR  26          1HG2      THR  26  41.232  12.847 -11.088
  184   HG23  THR  26          2HG2      THR  26  42.545  13.382 -10.012
  185    H    ILE  27           H        ILE  27  42.180   9.594  -7.001
  186    HA   ILE  27           HA       ILE  27  43.321   6.987  -7.811
  187    HB   ILE  27           HB       ILE  27  41.543   7.754  -5.483
  188   HG12  ILE  27          2HG1      ILE  27  44.423   6.802  -5.593
  189   HG13  ILE  27          1HG1      ILE  27  43.902   8.491  -5.388
  190   HG21  ILE  27          1HG2      ILE  27  41.889   5.475  -4.595
  191   HG22  ILE  27          2HG2      ILE  27  42.711   5.012  -6.105
  192   HG23  ILE  27          3HG2      ILE  27  40.985   5.449  -6.128
  193   HD11  ILE  27          3HD1      ILE  27  42.721   7.874  -3.302
  194   HD12  ILE  27          1HD1      ILE  27  44.449   7.458  -3.209
  195   HD13  ILE  27          2HD1      ILE  27  43.242   6.184  -3.507
  196    H    THR  28           H        THR  28  42.471   5.982  -9.342
  197    HA   THR  28           HA       THR  28  39.567   6.304  -9.790
  198    HB   THR  28           HB       THR  28  39.611   5.138 -11.756
  199    HG1  THR  28           HG1      THR  28  42.048   4.120 -11.844
  200   HG21  THR  28          3HG2      THR  28  40.779   7.215 -11.955
  201   HG22  THR  28          1HG2      THR  28  41.523   6.010 -13.032
  202   HG23  THR  28          2HG2      THR  28  42.317   6.445 -11.500
  203    H    THR  29           H        THR  29  38.056   4.520 -10.261
  204    HA   THR  29           HA       THR  29  37.714   2.993  -7.902
  205    HB   THR  29           HB       THR  29  35.863   1.937  -8.908
  206    HG1  THR  29           HG1      THR  29  35.591   1.811 -11.104
  207   HG21  THR  29          3HG2      THR  29  35.533   4.353  -8.723
  208   HG22  THR  29          1HG2      THR  29  34.679   3.710 -10.146
  209   HG23  THR  29          2HG2      THR  29  36.214   4.587 -10.351
  210    H    LYS  30           H        LYS  30  38.867   2.085 -10.959
  211    HA   LYS  30           HA       LYS  30  39.388  -0.690 -10.344
  212    HB2  LYS  30           2HB      LYS  30  39.525   0.167 -12.668
  213    HB3  LYS  30           1HB      LYS  30  41.061   0.965 -12.260
  214    HG2  LYS  30           2HG      LYS  30  41.471  -1.182 -13.390
  215    HG3  LYS  30           1HG      LYS  30  42.054  -1.238 -11.710
  216    HD2  LYS  30           2HD      LYS  30  39.533  -2.116 -11.324
  217    HD3  LYS  30           1HD      LYS  30  39.769  -2.660 -13.000
  218    HE2  LYS  30           2HE      LYS  30  41.677  -3.317 -10.735
  219    HE3  LYS  30           1HE      LYS  30  40.331  -4.367 -11.237
  220    HZ1  LYS  30           3HZ      LYS  30  42.384  -4.989 -12.231
  221    HZ2  LYS  30           1HZ      LYS  30  42.559  -3.449 -12.962
  222    HZ3  LYS  30           2HZ      LYS  30  41.300  -4.491 -13.446
  223    H    GLU  31           H        GLU  31  41.333   2.214  -9.998
  224    HA   GLU  31           HA       GLU  31  43.634   0.918  -8.938
  225    HB2  GLU  31           2HB      GLU  31  42.636   3.722  -8.506
  226    HB3  GLU  31           1HB      GLU  31  44.196   3.088  -7.936
  227    HG2  GLU  31           2HG      GLU  31  44.709   2.498 -10.361
  228    HG3  GLU  31           1HG      GLU  31  43.270   3.447 -10.806
  229    H    LEU  32           H        LEU  32  40.550   2.040  -7.431
  230    HA   LEU  32           HA       LEU  32  41.259   1.739  -4.769
  231    HB2  LEU  32           2HB      LEU  32  39.127   2.614  -5.936
  232    HB3  LEU  32           1HB      LEU  32  38.614   0.916  -5.930
  233    HG   LEU  32           HG       LEU  32  37.627   2.217  -4.153
  234   HD11  LEU  32          1HD1      LEU  32  38.067   0.738  -2.254
  235   HD12  LEU  32          2HD1      LEU  32  39.462   0.058  -3.127
  236   HD13  LEU  32          3HD1      LEU  32  37.819  -0.138  -3.784
  237   HD21  LEU  32          3HD2      LEU  32  40.437   2.627  -3.135
  238   HD22  LEU  32          1HD2      LEU  32  38.950   3.011  -2.236
  239   HD23  LEU  32          2HD2      LEU  32  39.316   3.863  -3.756
  240    H    GLY  33           H        GLY  33  40.277  -0.541  -7.190
  241    HA2  GLY  33           2HA      GLY  33  40.143  -2.900  -5.594
  242    HA3  GLY  33           1HA      GLY  33  40.734  -2.899  -7.271
  243    H    THR  34           H        THR  34  42.880  -1.446  -7.156
  244    HA   THR  34           HA       THR  34  44.874  -3.274  -6.108
  245    HB   THR  34           HB       THR  34  45.146  -0.448  -7.111
  246    HG1  THR  34           HG1      THR  34  44.344  -1.972  -8.549
  247   HG21  THR  34          3HG2      THR  34  47.103  -0.986  -5.740
  248   HG22  THR  34          1HG2      THR  34  47.530  -0.919  -7.466
  249   HG23  THR  34          2HG2      THR  34  47.342  -2.493  -6.658
  250    H    VAL  35           H        VAL  35  43.658  -0.194  -5.001
  251    HA   VAL  35           HA       VAL  35  45.210   0.385  -2.780
  252    HB   VAL  35           HB       VAL  35  42.314   0.878  -3.456
  253   HG11  VAL  35          1HG1      VAL  35  42.272   2.788  -1.932
  254   HG12  VAL  35          2HG1      VAL  35  43.857   2.298  -1.287
  255   HG13  VAL  35          3HG1      VAL  35  42.445   1.234  -1.082
  256   HG21  VAL  35          3HG2      VAL  35  44.774   2.588  -3.819
  257   HG22  VAL  35          1HG2      VAL  35  43.104   3.105  -4.155
  258   HG23  VAL  35          2HG2      VAL  35  43.826   1.769  -5.083
  259    H    MET  36           H        MET  36  41.886  -0.844  -2.513
  260    HA   MET  36           HA       MET  36  42.221  -1.710   0.141
  261    HB2  MET  36           2HB      MET  36  40.291  -2.527  -2.014
  262    HB3  MET  36           1HB      MET  36  40.276  -3.337  -0.431
  263    HG2  MET  36           2HG      MET  36  39.926  -0.360  -0.936
  264    HG3  MET  36           1HG      MET  36  38.653  -1.511  -0.469
  265    HE1  MET  36           3HE      MET  36  41.837   0.443   0.554
  266    HE2  MET  36           1HE      MET  36  41.287   0.920   2.179
  267    HE3  MET  36           2HE      MET  36  40.300   1.318   0.752
  268    H    ARG  37           H        ARG  37  42.831  -3.358  -2.848
  269    HA   ARG  37           HA       ARG  37  43.384  -5.924  -1.635
  270    HB2  ARG  37           2HB      ARG  37  43.011  -5.424  -4.105
  271    HB3  ARG  37           1HB      ARG  37  44.714  -4.924  -4.140
  272    HG2  ARG  37           2HG      ARG  37  44.974  -7.063  -4.792
  273    HG3  ARG  37           1HG      ARG  37  45.045  -7.308  -3.033
  274    HD2  ARG  37           2HD      ARG  37  42.348  -7.499  -3.492
  275    HD3  ARG  37           1HD      ARG  37  43.013  -8.187  -4.993
  276    HE   ARG  37           HE       ARG  37  43.211  -9.254  -2.284
  277   HH11  ARG  37          1HH2      ARG  37  44.669  -9.034  -5.478
  278   HH12  ARG  37          2HH2      ARG  37  45.514 -10.526  -5.433
  279   HH21  ARG  37          1HH1      ARG  37  44.358 -11.367  -2.178
  280   HH22  ARG  37          2HH1      ARG  37  45.305 -11.893  -3.495
  281    H    SER  38           H        SER  38  45.297  -3.027  -2.016
  282    HA   SER  38           HA       SER  38  47.779  -4.494  -1.725
  283    HB2  SER  38           2HB      SER  38  48.879  -2.314  -1.635
  284    HB3  SER  38           1HB      SER  38  47.709  -2.381  -2.974
  285    HG   SER  38           HG       SER  38  46.392  -1.048  -1.914
  286    H    LEU  39           H        LEU  39  45.539  -2.905   0.344
  287    HA   LEU  39           HA       LEU  39  47.206  -3.055   2.716
  288    HB2  LEU  39           2HB      LEU  39  44.312  -2.486   2.143
  289    HB3  LEU  39           1HB      LEU  39  44.900  -2.680   3.805
  290    HG   LEU  39           HG       LEU  39  46.139  -0.740   3.751
  291   HD11  LEU  39          1HD1      LEU  39  46.570   0.741   1.857
  292   HD12  LEU  39          2HD1      LEU  39  45.850  -0.456   0.753
  293   HD13  LEU  39          3HD1      LEU  39  47.339  -0.851   1.646
  294   HD21  LEU  39          3HD2      LEU  39  43.619  -0.223   2.154
  295   HD22  LEU  39          1HD2      LEU  39  44.545   1.015   3.036
  296   HD23  LEU  39          2HD2      LEU  39  43.772  -0.320   3.925
  297    H    GLY  40           H        GLY  40  45.750  -5.360   0.836
  298    HA2  GLY  40           2HA      GLY  40  46.087  -7.667   1.195
  299    HA3  GLY  40           1HA      GLY  40  46.260  -7.356   2.938
  300    H    GLN  41           H        GLN  41  43.927  -7.005   0.315
  301    HA   GLN  41           HA       GLN  41  41.827  -8.354   1.893
  302    HB2  GLN  41           2HB      GLN  41  41.533  -5.482   0.943
  303    HB3  GLN  41           1HB      GLN  41  40.183  -6.518   1.446
  304    HG2  GLN  41           2HG      GLN  41  42.453  -5.641   3.259
  305    HG3  GLN  41           1HG      GLN  41  40.847  -4.878   3.178
  306   HE21  GLN  41          1HE2      GLN  41  38.952  -6.375   3.436
  307   HE22  GLN  41          2HE2      GLN  41  39.115  -7.648   4.598
  308    H    ASN  42           H        ASN  42  39.708  -8.448   0.400
  309    HA   ASN  42           HA       ASN  42  40.626  -8.304  -2.416
  310    HB2  ASN  42           2HB      ASN  42  40.788 -10.701  -1.603
  311    HB3  ASN  42           1HB      ASN  42  39.020 -10.670  -1.400
  312   HD21  ASN  42          1HD2      ASN  42  41.687 -10.823  -3.562
  313   HD22  ASN  42          2HD2      ASN  42  40.713 -11.072  -5.018
  314    HA   PRO  43           HA       PRO  43  36.631  -6.436  -2.300
  315    HB2  PRO  43           2HB      PRO  43  37.198  -4.364  -3.932
  316    HB3  PRO  43           1HB      PRO  43  37.873  -4.429  -2.283
  317    HG2  PRO  43           1HG      PRO  43  39.221  -5.135  -4.923
  318    HG3  PRO  43           2HG      PRO  43  39.859  -4.172  -3.564
  319    HD2  PRO  43           1HD      PRO  43  40.350  -6.893  -3.907
  320    HD3  PRO  43           2HD      PRO  43  40.417  -6.054  -2.336
  321    H    THR  44           H        THR  44  34.936  -6.552  -3.586
  322    HA   THR  44           HA       THR  44  35.173  -8.009  -6.133
  323    HB   THR  44           HB       THR  44  32.803  -6.983  -4.526
  324    HG1  THR  44           HG1      THR  44  32.746  -9.166  -3.965
  325   HG21  THR  44          3HG2      THR  44  32.107  -7.385  -6.890
  326   HG22  THR  44          1HG2      THR  44  31.410  -8.575  -5.765
  327   HG23  THR  44          2HG2      THR  44  32.794  -9.025  -6.790
  328    H    GLU  45           H        GLU  45  33.958  -7.176  -8.101
  329    HA   GLU  45           HA       GLU  45  35.092  -4.692  -8.850
  330    HB2  GLU  45           2HB      GLU  45  32.721  -6.167 -10.006
  331    HB3  GLU  45           1HB      GLU  45  33.409  -4.694 -10.723
  332    HG2  GLU  45           2HG      GLU  45  35.624  -5.908 -10.880
  333    HG3  GLU  45           1HG      GLU  45  34.776  -7.387 -10.376
  334    H    ALA  46           H        ALA  46  31.944  -5.501  -7.522
  335    HA   ALA  46           HA       ALA  46  30.772  -2.927  -7.591
  336    HB1  ALA  46           3HB      ALA  46  29.480  -4.941  -7.036
  337    HB2  ALA  46           1HB      ALA  46  29.357  -3.733  -5.735
  338    HB3  ALA  46           2HB      ALA  46  30.422  -5.145  -5.539
  339    H    GLU  47           H        GLU  47  32.972  -4.525  -5.214
  340    HA   GLU  47           HA       GLU  47  32.671  -2.364  -3.352
  341    HB2  GLU  47           2HB      GLU  47  34.967  -4.279  -3.753
  342    HB3  GLU  47           1HB      GLU  47  34.877  -3.079  -2.445
  343    HG2  GLU  47           2HG      GLU  47  32.883  -4.150  -1.543
  344    HG3  GLU  47           1HG      GLU  47  32.852  -5.301  -2.901
  345    H    LEU  48           H        LEU  48  34.476  -2.606  -6.332
  346    HA   LEU  48           HA       LEU  48  36.294  -0.460  -5.505
  347    HB2  LEU  48           2HB      LEU  48  35.559  -1.645  -8.165
  348    HB3  LEU  48           1HB      LEU  48  36.588  -0.204  -8.052
  349    HG   LEU  48           HG       LEU  48  38.344  -1.327  -7.177
  350   HD11  LEU  48          1HD1      LEU  48  38.389  -3.542  -6.156
  351   HD12  LEU  48          2HD1      LEU  48  36.617  -3.638  -6.296
  352   HD13  LEU  48          3HD1      LEU  48  37.362  -2.400  -5.257
  353   HD21  LEU  48          3HD2      LEU  48  36.963  -3.373  -8.923
  354   HD22  LEU  48          1HD2      LEU  48  38.694  -3.375  -8.511
  355   HD23  LEU  48          2HD2      LEU  48  38.006  -2.030  -9.452
  356    H    GLN  49           H        GLN  49  33.372  -0.641  -7.347
  357    HA   GLN  49           HA       GLN  49  33.204   2.167  -7.974
  358    HB2  GLN  49           2HB      GLN  49  32.097   0.339  -9.248
  359    HB3  GLN  49           1HB      GLN  49  30.975   0.123  -7.887
  360    HG2  GLN  49           2HG      GLN  49  29.903   1.470  -9.602
  361    HG3  GLN  49           1HG      GLN  49  30.228   2.491  -8.181
  362   HE21  GLN  49          1HE2      GLN  49  32.029   3.904  -8.209
  363   HE22  GLN  49          2HE2      GLN  49  32.572   4.642  -9.645
  364    H    ASP  50           H        ASP  50  31.732   0.128  -5.546
  365    HA   ASP  50           HA       ASP  50  30.219   2.169  -4.381
  366    HB2  ASP  50           2HB      ASP  50  31.006  -0.563  -3.320
  367    HB3  ASP  50           1HB      ASP  50  29.772   0.498  -2.608
  368    H    MET  51           H        MET  51  33.270   0.605  -3.412
  369    HA   MET  51           HA       MET  51  33.497   1.962  -0.916
  370    HB2  MET  51           2HB      MET  51  35.724   1.156  -2.781
  371    HB3  MET  51           1HB      MET  51  35.985   1.901  -1.194
  372    HG2  MET  51           2HG      MET  51  34.478  -0.676  -1.440
  373    HG3  MET  51           1HG      MET  51  36.253  -0.640  -1.489
  374    HE1  MET  51           3HE      MET  51  33.033  -0.226   0.482
  375    HE2  MET  51           1HE      MET  51  33.608  -0.977   1.990
  376    HE3  MET  51           2HE      MET  51  33.758  -1.851   0.447
  377    H    ILE  52           H        ILE  52  34.415   2.973  -4.174
  378    HA   ILE  52           HA       ILE  52  35.595   5.467  -3.287
  379    HB   ILE  52           HB       ILE  52  34.556   4.504  -5.952
  380   HG12  ILE  52          2HG1      ILE  52  37.095   4.856  -4.439
  381   HG13  ILE  52          1HG1      ILE  52  36.606   3.582  -5.576
  382   HG21  ILE  52          1HG2      ILE  52  35.397   6.579  -6.989
  383   HG22  ILE  52          2HG2      ILE  52  35.726   7.263  -5.378
  384   HG23  ILE  52          3HG2      ILE  52  34.051   6.931  -5.879
  385   HD11  ILE  52          3HD1      ILE  52  37.089   5.076  -7.471
  386   HD12  ILE  52          1HD1      ILE  52  38.518   4.851  -6.434
  387   HD13  ILE  52          2HD1      ILE  52  37.576   6.358  -6.336
  388    H    ASN  53           H        ASN  53  32.411   4.680  -4.670
  389    HA   ASN  53           HA       ASN  53  31.476   7.365  -4.452
  390    HB2  ASN  53           2HB      ASN  53  30.509   5.508  -5.834
  391    HB3  ASN  53           1HB      ASN  53  29.729   4.906  -4.353
  392   HD21  ASN  53          1HD2      ASN  53  27.920   5.211  -5.845
  393   HD22  ASN  53          2HD2      ASN  53  27.211   6.859  -5.851
  394    H    GLU  54           H        GLU  54  31.522   4.856  -2.102
  395    HA   GLU  54           HA       GLU  54  29.621   6.112  -0.327
  396    HB2  GLU  54           2HB      GLU  54  30.271   4.593   1.399
  397    HB3  GLU  54           1HB      GLU  54  30.109   3.708  -0.133
  398    HG2  GLU  54           2HG      GLU  54  32.479   3.520  -0.381
  399    HG3  GLU  54           1HG      GLU  54  32.772   4.665   0.945
  400    H    VAL  55           H        VAL  55  32.986   6.548  -0.961
  401    HA   VAL  55           HA       VAL  55  33.032   8.487   1.278
  402    HB   VAL  55           HB       VAL  55  35.422   8.172   1.467
  403   HG11  VAL  55          1HG1      VAL  55  35.354   5.911   2.465
  404   HG12  VAL  55          2HG1      VAL  55  33.801   5.617   1.646
  405   HG13  VAL  55          3HG1      VAL  55  33.929   6.894   2.879
  406   HG21  VAL  55          3HG2      VAL  55  35.163   5.993  -0.621
  407   HG22  VAL  55          1HG2      VAL  55  36.599   6.311   0.380
  408   HG23  VAL  55          2HG2      VAL  55  36.044   7.531  -0.791
  409    H    ASP  56           H        ASP  56  32.331   8.698  -1.756
  410    HA   ASP  56           HA       ASP  56  34.346  10.670  -2.516
  411    HB2  ASP  56           2HB      ASP  56  33.379   9.032  -4.166
  412    HB3  ASP  56           1HB      ASP  56  31.822   9.877  -4.003
  413    H    ALA  57           H        ALA  57  34.229  12.710  -2.181
  414    HA   ALA  57           HA       ALA  57  31.769  13.442  -0.636
  415    HB1  ALA  57           3HB      ALA  57  33.823  13.972   0.553
  416    HB2  ALA  57           1HB      ALA  57  32.952  15.467   0.135
  417    HB3  ALA  57           2HB      ALA  57  34.380  14.975  -0.807
  418    H    ASP  58           H        ASP  58  33.471  14.120  -3.583
  419    HA   ASP  58           HA       ASP  58  31.766  16.456  -4.082
  420    HB2  ASP  58           2HB      ASP  58  33.183  16.703  -6.137
  421    HB3  ASP  58           1HB      ASP  58  34.065  16.792  -4.595
  422    H    GLY  59           H        GLY  59  31.880  13.079  -4.918
  423    HA2  GLY  59           2HA      GLY  59  29.981  11.983  -5.902
  424    HA3  GLY  59           1HA      GLY  59  29.316  13.570  -6.345
  425    H    ASN  60           H        ASN  60  32.683  13.110  -7.019
  426    HA   ASN  60           HA       ASN  60  32.003  13.471  -9.850
  427    HB2  ASN  60           2HB      ASN  60  34.315  13.993 -10.248
  428    HB3  ASN  60           1HB      ASN  60  33.710  14.927  -8.860
  429   HD21  ASN  60          1HD2      ASN  60  36.486  14.803  -9.017
  430   HD22  ASN  60          2HD2      ASN  60  36.881  13.615  -7.819
  431    H    GLY  61           H        GLY  61  33.404  11.019  -7.798
  432    HA2  GLY  61           2HA      GLY  61  33.188   8.660  -8.442
  433    HA3  GLY  61           1HA      GLY  61  33.311   9.167 -10.139
  434    H    THR  62           H        THR  62  35.428  10.346  -7.476
  435    HA   THR  62           HA       THR  62  37.551   8.570  -8.186
  436    HB   THR  62           HB       THR  62  39.039  10.728  -8.536
  437    HG1  THR  62           HG1      THR  62  37.989  12.436  -9.209
  438   HG21  THR  62          3HG2      THR  62  38.842   8.962 -10.266
  439   HG22  THR  62          1HG2      THR  62  38.845  10.589 -10.987
  440   HG23  THR  62          2HG2      THR  62  37.317   9.690 -10.826
  441    H    ILE  63           H        ILE  63  39.393   8.959  -6.743
  442    HA   ILE  63           HA       ILE  63  38.392  10.513  -4.367
  443    HB   ILE  63           HB       ILE  63  39.898   7.880  -4.283
  444   HG12  ILE  63          2HG1      ILE  63  37.499   7.692  -4.872
  445   HG13  ILE  63          1HG1      ILE  63  37.932   6.907  -3.338
  446   HG21  ILE  63          1HG2      ILE  63  39.565   7.932  -1.837
  447   HG22  ILE  63          2HG2      ILE  63  38.871   9.566  -1.969
  448   HG23  ILE  63          3HG2      ILE  63  40.577   9.287  -2.394
  449   HD11  ILE  63          3HD1      ILE  63  37.005   8.821  -2.089
  450   HD12  ILE  63          1HD1      ILE  63  35.784   8.087  -3.156
  451   HD13  ILE  63          2HD1      ILE  63  36.572   9.612  -3.624
  452    H    ASP  64           H        ASP  64  39.722  11.977  -3.525
  453    HA   ASP  64           HA       ASP  64  42.573  11.743  -4.359
  454    HB2  ASP  64           2HB      ASP  64  42.774  14.092  -4.295
  455    HB3  ASP  64           1HB      ASP  64  41.220  13.741  -5.081
  456    H    PHE  65           H        PHE  65  43.983  13.138  -2.783
  457    HA   PHE  65           HA       PHE  65  44.100  11.491  -0.394
  458    HB2  PHE  65           2HB      PHE  65  46.197  12.268  -0.915
  459    HB3  PHE  65           1HB      PHE  65  45.658  13.955  -1.072
  460    HD1  PHE  65           HD1      PHE  65  45.739  11.225   1.573
  461    HD2  PHE  65           HD2      PHE  65  46.270  15.417   0.573
  462    HE1  PHE  65           HE1      PHE  65  46.299  11.726   3.966
  463    HE2  PHE  65           HE2      PHE  65  46.848  15.916   2.961
  464    HZ   PHE  65           HZ       PHE  65  46.817  14.071   4.643
  465    HA   PRO  66           HA       PRO  66  42.227  15.177   2.143
  466    HB2  PRO  66           2HB      PRO  66  40.338  16.184   0.054
  467    HB3  PRO  66           1HB      PRO  66  41.175  17.061   1.360
  468    HG2  PRO  66           1HG      PRO  66  41.957  17.190  -1.273
  469    HG3  PRO  66           2HG      PRO  66  43.095  17.379   0.086
  470    HD2  PRO  66           1HD      PRO  66  42.710  15.065  -1.752
  471    HD3  PRO  66           2HD      PRO  66  44.142  15.530  -0.798
  472    H    GLU  67           H        GLU  67  40.343  13.524  -0.400
  473    HA   GLU  67           HA       GLU  67  38.065  13.003   1.264
  474    HB2  GLU  67           2HB      GLU  67  38.938  11.884  -1.406
  475    HB3  GLU  67           1HB      GLU  67  37.403  11.502  -0.594
  476    HG2  GLU  67           2HG      GLU  67  36.682  13.815  -0.743
  477    HG3  GLU  67           1HG      GLU  67  38.266  14.309  -1.385
  478    H    PHE  68           H        PHE  68  40.839  11.232   0.059
  479    HA   PHE  68           HA       PHE  68  40.358   8.818   1.381
  480    HB2  PHE  68           2HB      PHE  68  42.260   9.003  -0.092
  481    HB3  PHE  68           1HB      PHE  68  43.046  10.167   0.999
  482    HD1  PHE  68           HD2      PHE  68  41.801   6.620   0.792
  483    HD2  PHE  68           HD1      PHE  68  44.401   9.470   2.788
  484    HE1  PHE  68           HE2      PHE  68  42.983   4.736   1.951
  485    HE2  PHE  68           HE1      PHE  68  45.589   7.585   3.939
  486    HZ   PHE  68           HZ       PHE  68  44.919   5.231   3.446
  487    H    LEU  69           H        LEU  69  41.679  11.824   2.767
  488    HA   LEU  69           HA       LEU  69  42.344  10.574   5.283
  489    HB2  LEU  69           2HB      LEU  69  43.367  12.699   4.583
  490    HB3  LEU  69           1HB      LEU  69  41.787  13.498   4.727
  491    HG   LEU  69           HG       LEU  69  42.186  12.173   7.155
  492   HD11  LEU  69          1HD1      LEU  69  44.314  13.054   8.011
  493   HD12  LEU  69          2HD1      LEU  69  44.737  13.578   6.363
  494   HD13  LEU  69          3HD1      LEU  69  44.520  11.848   6.719
  495   HD21  LEU  69          3HD2      LEU  69  42.464  15.112   6.515
  496   HD22  LEU  69          1HD2      LEU  69  42.277  14.421   8.145
  497   HD23  LEU  69          2HD2      LEU  69  40.975  14.236   6.945
  498    H    THR  70           H        THR  70  39.554  12.433   4.157
  499    HA   THR  70           HA       THR  70  38.159  12.249   6.625
  500    HB   THR  70           HB       THR  70  36.119  12.660   5.443
  501    HG1  THR  70           HG1      THR  70  37.527  12.131   3.035
  502   HG21  THR  70          3HG2      THR  70  37.611  14.571   5.680
  503   HG22  THR  70          1HG2      THR  70  36.711  14.664   4.147
  504   HG23  THR  70          2HG2      THR  70  38.417  14.156   4.149
  505    H    MET  71           H        MET  71  38.132  10.026   3.897
  506    HA   MET  71           HA       MET  71  36.543   7.993   4.977
  507    HB2  MET  71           2HB      MET  71  37.344   8.042   2.688
  508    HB3  MET  71           1HB      MET  71  39.011   7.790   3.241
  509    HG2  MET  71           2HG      MET  71  37.098   5.696   4.052
  510    HG3  MET  71           1HG      MET  71  37.369   5.844   2.302
  511    HE1  MET  71           3HE      MET  71  38.694   4.894   5.739
  512    HE2  MET  71           1HE      MET  71  39.720   3.542   5.203
  513    HE3  MET  71           2HE      MET  71  38.003   3.594   4.739
  514    H    MET  72           H        MET  72  39.968   8.633   5.447
  515    HA   MET  72           HA       MET  72  40.499   6.360   7.043
  516    HB2  MET  72           2HB      MET  72  41.862   9.039   7.278
  517    HB3  MET  72           1HB      MET  72  42.424   7.510   7.988
  518    HG2  MET  72           2HG      MET  72  42.690   8.538   5.271
  519    HG3  MET  72           1HG      MET  72  43.630   7.302   6.132
  520    HE1  MET  72           3HE      MET  72  43.590   4.884   5.632
  521    HE2  MET  72           1HE      MET  72  42.119   3.987   5.181
  522    HE3  MET  72           2HE      MET  72  42.184   4.872   6.724
  523    H    ALA  73           H        ALA  73  39.272   9.486   7.900
  524    HA   ALA  73           HA       ALA  73  39.268   9.113  10.726
  525    HB1  ALA  73           3HB      ALA  73  38.673  11.266   9.716
  526    HB2  ALA  73           1HB      ALA  73  37.368  10.699  10.785
  527    HB3  ALA  73           2HB      ALA  73  37.201  10.551   9.019
  528    H    ARG  74           H        ARG  74  37.081   8.022   8.217
  529    HA   ARG  74           HA       ARG  74  35.190   6.818  10.056
  530    HB2  ARG  74           2HB      ARG  74  35.765   6.154   7.162
  531    HB3  ARG  74           1HB      ARG  74  34.427   5.483   8.118
  532    HG2  ARG  74           2HG      ARG  74  34.830   8.409   7.429
  533    HG3  ARG  74           1HG      ARG  74  33.651   7.302   6.686
  534    HD2  ARG  74           2HD      ARG  74  32.913   6.899   9.188
  535    HD3  ARG  74           1HD      ARG  74  33.697   8.473   9.458
  536    HE   ARG  74           HE       ARG  74  31.935   8.544   7.188
  537   HH11  ARG  74          1HH2      ARG  74  32.204   8.580  10.713
  538   HH12  ARG  74          2HH2      ARG  74  30.713   9.365  11.022
  539   HH21  ARG  74          1HH1      ARG  74  29.859   9.503   7.574
  540   HH22  ARG  74          2HH1      ARG  74  29.274   9.824   9.167
  541    H    LYS  75           H        LYS  75  38.102   5.728   8.554
  542    HA   LYS  75           HA       LYS  75  37.794   2.988   9.321
  543    HB2  LYS  75           2HB      LYS  75  39.373   3.734   7.611
  544    HB3  LYS  75           1HB      LYS  75  40.373   4.500   8.864
  545    HG2  LYS  75           2HG      LYS  75  40.186   1.941   9.821
  546    HG3  LYS  75           1HG      LYS  75  40.172   1.664   8.063
  547    HD2  LYS  75           2HD      LYS  75  42.350   2.204   7.864
  548    HD3  LYS  75           1HD      LYS  75  42.154   3.669   8.853
  549    HE2  LYS  75           2HE      LYS  75  42.457   0.841   9.944
  550    HE3  LYS  75           1HE      LYS  75  43.749   2.063   9.874
  551    HZ1  LYS  75           3HZ      LYS  75  42.573   3.445  11.293
  552    HZ2  LYS  75           1HZ      LYS  75  42.530   1.890  12.024
  553    HZ3  LYS  75           2HZ      LYS  75  41.165   2.570  11.244
  554    H    MET  76           H        MET  76  37.003   2.898  11.448
  555    HA   MET  76           HA       MET  76  38.969   2.601  13.484
  556    HB2  MET  76           2HB      MET  76  38.036   4.379  14.980
  557    HB3  MET  76           1HB      MET  76  38.981   4.976  13.599
  558    HG2  MET  76           2HG      MET  76  37.111   6.414  13.813
  559    HG3  MET  76           1HG      MET  76  36.808   5.382  12.400
  560    HE1  MET  76           3HE      MET  76  34.384   6.457  12.561
  561    HE2  MET  76           1HE      MET  76  33.221   5.178  12.984
  562    HE3  MET  76           2HE      MET  76  34.576   4.822  11.885
  563    HC1  HLT 149           H4       HLT 149  37.371   1.049   4.185
  Start of MODEL    2
    1    H1   ALA   1           1H       ALA   1  48.485  14.538  18.734
    2    H2   ALA   1           2H       ALA   1  46.904  15.207  19.067
    3    H3   ALA   1           3H       ALA   1  47.091  13.535  18.803
    4    HA   ALA   1           HA       ALA   1  47.486  15.610  16.790
    5    HB1  ALA   1           3HB      ALA   1  49.142  13.751  16.753
    6    HB2  ALA   1           1HB      ALA   1  47.973  13.609  15.418
    7    HB3  ALA   1           2HB      ALA   1  47.806  12.579  16.860
    8    H    ASP   2           H        ASP   2  45.953  14.943  14.977
    9    HA   ASP   2           HA       ASP   2  43.348  14.772  16.208
   10    HB2  ASP   2           2HB      ASP   2  44.253  15.145  13.332
   11    HB3  ASP   2           1HB      ASP   2  42.548  15.122  13.841
   12    H    GLN   3           H        GLN   3  44.748  13.169  13.356
   13    HA   GLN   3           HA       GLN   3  43.046  10.818  13.846
   14    HB2  GLN   3           2HB      GLN   3  45.188  11.309  11.758
   15    HB3  GLN   3           1HB      GLN   3  44.243   9.810  11.912
   16    HG2  GLN   3           2HG      GLN   3  42.152  11.206  11.632
   17    HG3  GLN   3           1HG      GLN   3  43.206  12.587  11.247
   18   HE21  GLN   3          1HE2      GLN   3  41.294  10.330   9.854
   19   HE22  GLN   3          2HE2      GLN   3  42.054  10.251   8.330
   20    H    LEU   4           H        LEU   4  46.595  11.368  13.458
   21    HA   LEU   4           HA       LEU   4  47.106   9.845  15.866
   22    HB2  LEU   4           2HB      LEU   4  47.113   8.518  13.281
   23    HB3  LEU   4           1HB      LEU   4  48.736   8.546  13.997
   24    HG   LEU   4           HG       LEU   4  48.010   6.591  14.778
   25   HD11  LEU   4          1HD1      LEU   4  47.307   6.725  17.130
   26   HD12  LEU   4          2HD1      LEU   4  46.970   8.458  16.907
   27   HD13  LEU   4          3HD1      LEU   4  48.629   7.845  16.719
   28   HD21  LEU   4          3HD2      LEU   4  45.177   7.604  14.979
   29   HD22  LEU   4          1HD2      LEU   4  45.724   5.969  15.421
   30   HD23  LEU   4          2HD2      LEU   4  45.859   6.527  13.737
   31    H    THR   5           H        THR   5  49.744   9.465  15.677
   32    HA   THR   5           HA       THR   5  50.795  12.121  15.869
   33    HB   THR   5           HB       THR   5  52.969  10.815  15.950
   34    HG1  THR   5           HG1      THR   5  52.217   9.235  14.508
   35   HG21  THR   5          3HG2      THR   5  51.572  11.104  18.007
   36   HG22  THR   5          1HG2      THR   5  52.401   9.529  17.992
   37   HG23  THR   5          2HG2      THR   5  50.671   9.629  17.584
   38    H    GLU   6           H        GLU   6  52.407  13.132  14.492
   39    HA   GLU   6           HA       GLU   6  51.685  13.351  11.831
   40    HB2  GLU   6           2HB      GLU   6  53.176  14.884  13.128
   41    HB3  GLU   6           1HB      GLU   6  54.493  13.714  12.888
   42    HG2  GLU   6           2HG      GLU   6  53.928  13.929  10.355
   43    HG3  GLU   6           1HG      GLU   6  53.061  15.409  10.830
   44    H    GLU   7           H        GLU   7  53.786  11.012  13.296
   45    HA   GLU   7           HA       GLU   7  55.013   9.898  11.049
   46    HB2  GLU   7           2HB      GLU   7  53.915   8.512  13.515
   47    HB3  GLU   7           1HB      GLU   7  55.088   7.817  12.378
   48    HG2  GLU   7           2HG      GLU   7  56.375   8.509  14.220
   49    HG3  GLU   7           1HG      GLU   7  56.626   9.765  12.989
   50    H    GLN   8           H        GLN   8  51.960   8.866  12.549
   51    HA   GLN   8           HA       GLN   8  51.357   7.050  10.415
   52    HB2  GLN   8           2HB      GLN   8  50.257   7.097  12.690
   53    HB3  GLN   8           1HB      GLN   8  49.236   8.408  12.056
   54    HG2  GLN   8           2HG      GLN   8  47.878   6.808  11.230
   55    HG3  GLN   8           1HG      GLN   8  49.167   6.427  10.063
   56   HE21  GLN   8          1HE2      GLN   8  51.153   5.350  11.612
   57   HE22  GLN   8          2HE2      GLN   8  50.671   3.995  12.505
   58    H    ILE   9           H        ILE   9  50.260  10.308  10.998
   59    HA   ILE   9           HA       ILE   9  48.585  10.593   8.725
   60    HB   ILE   9           HB       ILE   9  50.372  12.708   9.956
   61   HG12  ILE   9          2HG1      ILE   9  47.498  11.858  10.441
   62   HG13  ILE   9          1HG1      ILE   9  48.860  11.752  11.576
   63   HG21  ILE   9          1HG2      ILE   9  48.798  14.328   8.944
   64   HG22  ILE   9          2HG2      ILE   9  47.950  12.992   8.129
   65   HG23  ILE   9          3HG2      ILE   9  49.636  13.369   7.700
   66   HD11  ILE   9          3HD1      ILE   9  48.988  14.218  11.661
   67   HD12  ILE   9          1HD1      ILE   9  47.377  13.634  12.143
   68   HD13  ILE   9          2HD1      ILE   9  47.625  14.327  10.523
   69    H    ALA  10           H        ALA  10  52.055  11.121   8.940
   70    HA   ALA  10           HA       ALA  10  52.516  11.791   6.217
   71    HB1  ALA  10           3HB      ALA  10  54.246  12.117   7.907
   72    HB2  ALA  10           1HB      ALA  10  54.851  11.074   6.597
   73    HB3  ALA  10           2HB      ALA  10  54.367  10.358   8.153
   74    H    GLU  11           H        GLU  11  52.851   8.615   7.840
   75    HA   GLU  11           HA       GLU  11  53.188   7.106   5.546
   76    HB2  GLU  11           2HB      GLU  11  51.753   6.360   8.094
   77    HB3  GLU  11           1HB      GLU  11  52.178   5.204   6.815
   78    HG2  GLU  11           2HG      GLU  11  54.242   4.979   7.644
   79    HG3  GLU  11           1HG      GLU  11  54.518   6.734   7.535
   80    H    PHE  12           H        PHE  12  50.191   8.399   6.750
   81    HA   PHE  12           HA       PHE  12  48.545   6.927   4.875
   82    HB2  PHE  12           2HB      PHE  12  48.063   9.590   6.190
   83    HB3  PHE  12           1HB      PHE  12  46.957   8.930   4.965
   84    HD1  PHE  12           HD1      PHE  12  47.069   5.995   5.607
   85    HD2  PHE  12           HD2      PHE  12  46.869   9.482   8.187
   86    HE1  PHE  12           HE1      PHE  12  45.903   4.632   7.360
   87    HE2  PHE  12           HE2      PHE  12  45.672   8.127   9.925
   88    HZ   PHE  12           HZ       PHE  12  45.166   5.724   9.478
   89    H    LYS  13           H        LYS  13  50.374   9.891   4.624
   90    HA   LYS  13           HA       LYS  13  49.623  10.340   1.851
   91    HB2  LYS  13           2HB      LYS  13  50.552  12.115   3.286
   92    HB3  LYS  13           1HB      LYS  13  52.119  11.283   3.261
   93    HG2  LYS  13           2HG      LYS  13  50.859  12.033   0.657
   94    HG3  LYS  13           1HG      LYS  13  51.573  13.313   1.659
   95    HD2  LYS  13           2HD      LYS  13  53.120  10.851   0.827
   96    HD3  LYS  13           1HD      LYS  13  53.037  12.319  -0.171
   97    HE2  LYS  13           2HE      LYS  13  54.015  13.633   1.682
   98    HE3  LYS  13           1HE      LYS  13  54.111  12.157   2.672
   99    HZ1  LYS  13           3HZ      LYS  13  56.162  12.776   1.490
  100    HZ2  LYS  13           1HZ      LYS  13  55.394  12.410   0.010
  101    HZ3  LYS  13           2HZ      LYS  13  55.605  11.204   1.194
  102    H    GLU  14           H        GLU  14  52.275   8.454   3.407
  103    HA   GLU  14           HA       GLU  14  53.430   7.759   0.919
  104    HB2  GLU  14           2HB      GLU  14  53.267   6.058   3.409
  105    HB3  GLU  14           1HB      GLU  14  54.336   5.773   2.017
  106    HG2  GLU  14           2HG      GLU  14  55.262   8.134   2.447
  107    HG3  GLU  14           1HG      GLU  14  54.417   8.056   4.011
  108    H    ALA  15           H        ALA  15  50.770   6.321   2.640
  109    HA   ALA  15           HA       ALA  15  50.334   4.107   0.858
  110    HB1  ALA  15           3HB      ALA  15  49.185   4.227   3.012
  111    HB2  ALA  15           1HB      ALA  15  48.002   4.083   1.689
  112    HB3  ALA  15           2HB      ALA  15  48.277   5.659   2.470
  113    H    PHE  16           H        PHE  16  49.296   7.481   0.766
  114    HA   PHE  16           HA       PHE  16  47.630   7.300  -1.488
  115    HB2  PHE  16           2HB      PHE  16  47.907   9.283   0.012
  116    HB3  PHE  16           1HB      PHE  16  49.440   9.632  -0.821
  117    HD1  PHE  16           HD2      PHE  16  45.787   9.015  -1.465
  118    HD2  PHE  16           HD1      PHE  16  49.462  10.916  -2.781
  119    HE1  PHE  16           HE2      PHE  16  44.523  10.217  -3.265
  120    HE2  PHE  16           HE1      PHE  16  48.195  12.120  -4.582
  121    HZ   PHE  16           HZ       PHE  16  45.734  11.764  -4.800
  122    H    SER  17           H        SER  17  51.118   7.670  -1.300
  123    HA   SER  17           HA       SER  17  51.625   7.968  -4.102
  124    HB2  SER  17           2HB      SER  17  53.244   8.363  -2.215
  125    HB3  SER  17           1HB      SER  17  53.412   6.601  -2.063
  126    HG   SER  17           HG       SER  17  53.894   7.956  -4.488
  127    H    LEU  18           H        LEU  18  51.118   5.165  -2.100
  128    HA   LEU  18           HA       LEU  18  51.767   3.286  -4.234
  129    HB2  LEU  18           2HB      LEU  18  50.393   2.932  -1.575
  130    HB3  LEU  18           1HB      LEU  18  50.533   1.610  -2.750
  131    HG   LEU  18           HG       LEU  18  53.046   2.018  -2.655
  132   HD11  LEU  18          1HD1      LEU  18  53.960   2.860  -0.543
  133   HD12  LEU  18          2HD1      LEU  18  52.334   3.397  -0.055
  134   HD13  LEU  18          3HD1      LEU  18  53.130   4.136  -1.466
  135   HD21  LEU  18          3HD2      LEU  18  51.586   0.904  -0.242
  136   HD22  LEU  18          1HD2      LEU  18  53.285   0.578  -0.661
  137   HD23  LEU  18          2HD2      LEU  18  51.981   0.037  -1.746
  138    H    PHE  19           H        PHE  19  48.975   5.063  -3.292
  139    HA   PHE  19           HA       PHE  19  47.110   3.288  -4.638
  140    HB2  PHE  19           2HB      PHE  19  46.738   6.129  -3.662
  141    HB3  PHE  19           1HB      PHE  19  45.452   5.072  -4.287
  142    HD1  PHE  19           HD1      PHE  19  47.272   2.628  -2.808
  143    HD2  PHE  19           HD2      PHE  19  45.137   6.239  -1.688
  144    HE1  PHE  19           HE1      PHE  19  46.942   1.706  -0.503
  145    HE2  PHE  19           HE2      PHE  19  44.794   5.311   0.612
  146    HZ   PHE  19           HZ       PHE  19  45.707   3.065   1.188
  147    H    ASP  20           H        ASP  20  48.359   6.588  -5.273
  148    HA   ASP  20           HA       ASP  20  47.295   6.497  -7.945
  149    HB2  ASP  20           2HB      ASP  20  47.621   8.548  -6.411
  150    HB3  ASP  20           1HB      ASP  20  49.326   8.487  -6.915
  151    H    LYS  21           H        LYS  21  48.155   4.681  -8.641
  152    HA   LYS  21           HA       LYS  21  51.061   4.181  -8.555
  153    HB2  LYS  21           2HB      LYS  21  50.609   2.110  -9.805
  154    HB3  LYS  21           1HB      LYS  21  49.623   2.284  -8.340
  155    HG2  LYS  21           2HG      LYS  21  48.057   1.470  -9.788
  156    HG3  LYS  21           1HG      LYS  21  47.828   3.216 -10.018
  157    HD2  LYS  21           2HD      LYS  21  49.492   2.935 -11.998
  158    HD3  LYS  21           1HD      LYS  21  49.098   1.206 -11.864
  159    HE2  LYS  21           2HE      LYS  21  46.666   1.801 -12.095
  160    HE3  LYS  21           1HE      LYS  21  47.154   3.488 -12.398
  161    HZ1  LYS  21           3HZ      LYS  21  48.443   2.809 -14.211
  162    HZ2  LYS  21           1HZ      LYS  21  46.873   2.185 -14.422
  163    HZ3  LYS  21           2HZ      LYS  21  48.148   1.149 -13.927
  164    H    ASP  22           H        ASP  22  48.790   5.499 -10.819
  165    HA   ASP  22           HA       ASP  22  50.760   5.435 -12.990
  166    HB2  ASP  22           2HB      ASP  22  48.874   6.616 -14.238
  167    HB3  ASP  22           1HB      ASP  22  48.564   4.938 -13.738
  168    H    GLY  23           H        GLY  23  49.439   7.519 -10.540
  169    HA2  GLY  23           2HA      GLY  23  50.429   9.553  -9.790
  170    HA3  GLY  23           1HA      GLY  23  51.553   9.495 -11.165
  171    H    ASP  24           H        ASP  24  47.988   9.036 -11.470
  172    HA   ASP  24           HA       ASP  24  48.091  11.215 -13.407
  173    HB2  ASP  24           2HB      ASP  24  45.873  10.546 -14.083
  174    HB3  ASP  24           1HB      ASP  24  46.972   9.150 -14.066
  175    H    GLY  25           H        GLY  25  47.581  10.914 -10.196
  176    HA2  GLY  25           2HA      GLY  25  47.204  12.729  -8.687
  177    HA3  GLY  25           1HA      GLY  25  46.606  13.700 -10.049
  178    H    THR  26           H        THR  26  45.340  10.415  -9.713
  179    HA   THR  26           HA       THR  26  43.045  11.326  -8.210
  180    HB   THR  26           HB       THR  26  41.438  10.605  -9.930
  181    HG1  THR  26           HG1      THR  26  43.494   9.824 -11.314
  182   HG21  THR  26          3HG2      THR  26  41.668  12.973  -9.592
  183   HG22  THR  26          1HG2      THR  26  41.397  12.629 -11.317
  184   HG23  THR  26          2HG2      THR  26  43.029  13.042 -10.737
  185    H    ILE  27           H        ILE  27  42.182   9.806  -7.127
  186    HA   ILE  27           HA       ILE  27  43.311   7.088  -7.573
  187    HB   ILE  27           HB       ILE  27  41.382   8.009  -5.430
  188   HG12  ILE  27          2HG1      ILE  27  44.309   7.225  -5.266
  189   HG13  ILE  27          1HG1      ILE  27  43.694   8.893  -5.272
  190   HG21  ILE  27          1HG2      ILE  27  41.799   5.833  -4.336
  191   HG22  ILE  27          2HG2      ILE  27  42.745   5.306  -5.749
  192   HG23  ILE  27          3HG2      ILE  27  41.003   5.631  -5.915
  193   HD11  ILE  27          3HD1      ILE  27  42.432   8.439  -3.193
  194   HD12  ILE  27          1HD1      ILE  27  44.171   8.132  -2.973
  195   HD13  ILE  27          2HD1      ILE  27  43.046   6.769  -3.186
  196    H    THR  28           H        THR  28  42.573   5.966  -9.025
  197    HA   THR  28           HA       THR  28  39.733   6.239  -9.787
  198    HB   THR  28           HB       THR  28  39.999   4.871 -11.611
  199    HG1  THR  28           HG1      THR  28  42.370   3.839 -11.455
  200   HG21  THR  28          3HG2      THR  28  41.212   6.926 -11.889
  201   HG22  THR  28          1HG2      THR  28  42.057   5.611 -12.743
  202   HG23  THR  28          2HG2      THR  28  42.678   6.203 -11.183
  203    H    THR  29           H        THR  29  38.214   4.514 -10.084
  204    HA   THR  29           HA       THR  29  37.739   3.142  -7.664
  205    HB   THR  29           HB       THR  29  35.969   2.001  -8.765
  206    HG1  THR  29           HG1      THR  29  36.812   0.987 -10.320
  207   HG21  THR  29          3HG2      THR  29  35.589   4.422  -8.808
  208   HG22  THR  29          1HG2      THR  29  34.883   3.638 -10.242
  209   HG23  THR  29          2HG2      THR  29  36.415   4.534 -10.381
  210    H    LYS  30           H        LYS  30  39.126   2.105 -10.584
  211    HA   LYS  30           HA       LYS  30  39.670  -0.613  -9.804
  212    HB2  LYS  30           2HB      LYS  30  39.860   0.252 -12.167
  213    HB3  LYS  30           1HB      LYS  30  41.474   0.848 -11.721
  214    HG2  LYS  30           2HG      LYS  30  41.727  -1.306 -12.778
  215    HG3  LYS  30           1HG      LYS  30  42.092  -1.483 -11.048
  216    HD2  LYS  30           2HD      LYS  30  39.291  -1.952 -11.445
  217    HD3  LYS  30           1HD      LYS  30  40.201  -2.916 -12.628
  218    HE2  LYS  30           2HE      LYS  30  39.801  -4.233 -10.624
  219    HE3  LYS  30           1HE      LYS  30  41.539  -3.885 -10.774
  220    HZ1  LYS  30           3HZ      LYS  30  39.674  -2.267  -9.151
  221    HZ2  LYS  30           1HZ      LYS  30  41.350  -2.162  -9.165
  222    HZ3  LYS  30           2HZ      LYS  30  40.581  -3.537  -8.508
  223    H    GLU  31           H        GLU  31  41.665   2.319  -9.514
  224    HA   GLU  31           HA       GLU  31  43.886   1.017  -8.333
  225    HB2  GLU  31           2HB      GLU  31  42.849   3.821  -8.052
  226    HB3  GLU  31           1HB      GLU  31  44.319   3.234  -7.242
  227    HG2  GLU  31           2HG      GLU  31  45.244   2.575  -9.464
  228    HG3  GLU  31           1HG      GLU  31  43.798   3.263 -10.243
  229    H    LEU  32           H        LEU  32  40.878   2.398  -6.853
  230    HA   LEU  32           HA       LEU  32  41.519   1.829  -4.224
  231    HB2  LEU  32           2HB      LEU  32  39.495   3.032  -4.953
  232    HB3  LEU  32           1HB      LEU  32  38.808   1.494  -5.521
  233    HG   LEU  32           HG       LEU  32  39.799   1.556  -2.736
  234   HD11  LEU  32          1HD1      LEU  32  37.775   2.630  -1.848
  235   HD12  LEU  32          2HD1      LEU  32  37.304   3.070  -3.508
  236   HD13  LEU  32          3HD1      LEU  32  38.796   3.735  -2.799
  237   HD21  LEU  32          3HD2      LEU  32  37.284   0.405  -3.961
  238   HD22  LEU  32          1HD2      LEU  32  37.783   0.233  -2.262
  239   HD23  LEU  32          2HD2      LEU  32  38.780  -0.471  -3.558
  240    H    GLY  33           H        GLY  33  40.259  -0.247  -6.672
  241    HA2  GLY  33           2HA      GLY  33  39.974  -2.616  -5.086
  242    HA3  GLY  33           1HA      GLY  33  40.487  -2.684  -6.788
  243    H    THR  34           H        THR  34  42.823  -1.363  -6.678
  244    HA   THR  34           HA       THR  34  44.608  -3.415  -5.698
  245    HB   THR  34           HB       THR  34  45.155  -0.609  -6.629
  246    HG1  THR  34           HG1      THR  34  44.383  -1.556  -8.299
  247   HG21  THR  34          3HG2      THR  34  47.101  -1.464  -5.394
  248   HG22  THR  34          1HG2      THR  34  47.424  -1.372  -7.142
  249   HG23  THR  34          2HG2      THR  34  47.080  -2.945  -6.382
  250    H    VAL  35           H        VAL  35  43.672  -0.278  -4.448
  251    HA   VAL  35           HA       VAL  35  45.270  -0.068  -2.169
  252    HB   VAL  35           HB       VAL  35  42.417   0.761  -2.691
  253   HG11  VAL  35          1HG1      VAL  35  42.685   2.508  -0.996
  254   HG12  VAL  35          2HG1      VAL  35  44.252   1.801  -0.532
  255   HG13  VAL  35          3HG1      VAL  35  42.753   0.865  -0.315
  256   HG21  VAL  35          3HG2      VAL  35  45.008   2.250  -3.116
  257   HG22  VAL  35          1HG2      VAL  35  43.379   2.944  -3.295
  258   HG23  VAL  35          2HG2      VAL  35  43.904   1.618  -4.361
  259    H    MET  36           H        MET  36  41.831  -0.992  -2.049
  260    HA   MET  36           HA       MET  36  41.991  -2.094   0.494
  261    HB2  MET  36           2HB      MET  36  40.128  -2.642  -1.802
  262    HB3  MET  36           1HB      MET  36  39.949  -3.484  -0.245
  263    HG2  MET  36           2HG      MET  36  39.981  -0.463  -0.622
  264    HG3  MET  36           1HG      MET  36  38.526  -1.459  -0.382
  265    HE1  MET  36           3HE      MET  36  41.818  -0.055   1.132
  266    HE2  MET  36           1HE      MET  36  41.153   0.399   2.719
  267    HE3  MET  36           2HE      MET  36  40.410   1.031   1.229
  268    H    ARG  37           H        ARG  37  42.604  -3.598  -2.536
  269    HA   ARG  37           HA       ARG  37  42.998  -6.270  -1.547
  270    HB2  ARG  37           2HB      ARG  37  42.806  -5.490  -3.984
  271    HB3  ARG  37           1HB      ARG  37  44.547  -5.150  -3.865
  272    HG2  ARG  37           2HG      ARG  37  44.675  -7.255  -4.664
  273    HG3  ARG  37           1HG      ARG  37  44.571  -7.638  -2.931
  274    HD2  ARG  37           2HD      ARG  37  41.929  -7.578  -3.552
  275    HD3  ARG  37           1HD      ARG  37  42.603  -8.106  -5.112
  276    HE   ARG  37           HE       ARG  37  42.553  -9.536  -2.593
  277   HH11  ARG  37          1HH2      ARG  37  44.190  -9.038  -5.650
  278   HH12  ARG  37          2HH2      ARG  37  44.998 -10.551  -5.755
  279   HH21  ARG  37          1HH1      ARG  37  43.598 -11.742  -2.701
  280   HH22  ARG  37          2HH1      ARG  37  44.626 -12.137  -4.012
  281    H    SER  38           H        SER  38  45.123  -3.475  -1.639
  282    HA   SER  38           HA       SER  38  47.537  -5.019  -1.367
  283    HB2  SER  38           2HB      SER  38  48.692  -2.916  -1.013
  284    HB3  SER  38           1HB      SER  38  47.555  -2.766  -2.372
  285    HG   SER  38           HG       SER  38  46.297  -1.476  -1.200
  286    H    LEU  39           H        LEU  39  45.339  -3.398   0.733
  287    HA   LEU  39           HA       LEU  39  46.811  -3.915   3.157
  288    HB2  LEU  39           2HB      LEU  39  43.983  -3.136   2.510
  289    HB3  LEU  39           1HB      LEU  39  44.474  -3.499   4.174
  290    HG   LEU  39           HG       LEU  39  45.835  -1.637   4.329
  291   HD11  LEU  39          1HD1      LEU  39  46.377  -0.018   2.582
  292   HD12  LEU  39          2HD1      LEU  39  45.619  -1.071   1.364
  293   HD13  LEU  39          3HD1      LEU  39  47.070  -1.621   2.237
  294   HD21  LEU  39          3HD2      LEU  39  43.379  -0.864   2.734
  295   HD22  LEU  39          1HD2      LEU  39  44.333   0.244   3.748
  296   HD23  LEU  39          2HD2      LEU  39  43.481  -1.130   4.491
  297    H    GLY  40           H        GLY  40  45.374  -6.041   1.085
  298    HA2  GLY  40           2HA      GLY  40  45.561  -8.382   1.449
  299    HA3  GLY  40           1HA      GLY  40  45.505  -8.093   3.202
  300    H    GLN  41           H        GLN  41  43.428  -7.368   0.371
  301    HA   GLN  41           HA       GLN  41  41.218  -8.800   1.732
  302    HB2  GLN  41           2HB      GLN  41  41.056  -5.872   0.945
  303    HB3  GLN  41           1HB      GLN  41  39.661  -6.888   1.359
  304    HG2  GLN  41           2HG      GLN  41  41.897  -6.054   3.231
  305    HG3  GLN  41           1HG      GLN  41  40.228  -5.439   3.218
  306   HE21  GLN  41          1HE2      GLN  41  38.768  -7.777   2.823
  307   HE22  GLN  41          2HE2      GLN  41  39.045  -8.879   4.128
  308    H    ASN  42           H        ASN  42  39.117  -8.658   0.159
  309    HA   ASN  42           HA       ASN  42  40.129  -8.282  -2.608
  310    HB2  ASN  42           2HB      ASN  42  40.152 -10.739  -2.008
  311    HB3  ASN  42           1HB      ASN  42  38.382 -10.643  -1.859
  312   HD21  ASN  42          1HD2      ASN  42  39.524 -12.393  -3.590
  313   HD22  ASN  42          2HD2      ASN  42  39.197 -11.847  -5.220
  314    HA   PRO  43           HA       PRO  43  36.214  -6.218  -2.478
  315    HB2  PRO  43           2HB      PRO  43  36.966  -4.025  -3.855
  316    HB3  PRO  43           1HB      PRO  43  37.545  -4.296  -2.191
  317    HG2  PRO  43           1HG      PRO  43  39.004  -4.767  -4.818
  318    HG3  PRO  43           2HG      PRO  43  39.610  -4.016  -3.318
  319    HD2  PRO  43           1HD      PRO  43  39.964  -6.707  -3.996
  320    HD3  PRO  43           2HD      PRO  43  40.044  -6.061  -2.336
  321    H    THR  44           H        THR  44  34.501  -6.416  -3.789
  322    HA   THR  44           HA       THR  44  34.939  -7.738  -6.366
  323    HB   THR  44           HB       THR  44  32.406  -6.719  -5.058
  324    HG1  THR  44           HG1      THR  44  32.882  -8.066  -3.662
  325   HG21  THR  44          3HG2      THR  44  32.009  -7.367  -7.385
  326   HG22  THR  44          1HG2      THR  44  31.234  -8.503  -6.255
  327   HG23  THR  44          2HG2      THR  44  32.746  -8.958  -7.077
  328    H    GLU  45           H        GLU  45  33.603  -6.754  -8.340
  329    HA   GLU  45           HA       GLU  45  34.766  -4.257  -8.969
  330    HB2  GLU  45           2HB      GLU  45  32.363  -5.680 -10.106
  331    HB3  GLU  45           1HB      GLU  45  32.942  -4.120 -10.734
  332    HG2  GLU  45           2HG      GLU  45  35.207  -5.176 -11.062
  333    HG3  GLU  45           1HG      GLU  45  34.483  -6.739 -10.615
  334    H    ALA  46           H        ALA  46  31.672  -5.112  -7.557
  335    HA   ALA  46           HA       ALA  46  30.461  -2.560  -7.488
  336    HB1  ALA  46           3HB      ALA  46  29.268  -4.630  -6.884
  337    HB2  ALA  46           1HB      ALA  46  29.201  -3.448  -5.554
  338    HB3  ALA  46           2HB      ALA  46  30.319  -4.830  -5.462
  339    H    GLU  47           H        GLU  47  32.656  -4.242  -5.178
  340    HA   GLU  47           HA       GLU  47  32.592  -2.078  -3.433
  341    HB2  GLU  47           2HB      GLU  47  34.588  -4.254  -3.877
  342    HB3  GLU  47           1HB      GLU  47  34.958  -2.936  -2.745
  343    HG2  GLU  47           2HG      GLU  47  33.895  -5.080  -1.790
  344    HG3  GLU  47           1HG      GLU  47  33.197  -3.519  -1.297
  345    H    LEU  48           H        LEU  48  34.306  -2.252  -6.414
  346    HA   LEU  48           HA       LEU  48  36.208  -0.185  -5.495
  347    HB2  LEU  48           2HB      LEU  48  35.468  -1.195  -8.233
  348    HB3  LEU  48           1HB      LEU  48  36.630   0.120  -7.976
  349    HG   LEU  48           HG       LEU  48  38.273  -1.240  -7.367
  350   HD11  LEU  48          1HD1      LEU  48  38.185  -3.391  -6.229
  351   HD12  LEU  48          2HD1      LEU  48  36.408  -3.303  -6.187
  352   HD13  LEU  48          3HD1      LEU  48  37.379  -2.113  -5.288
  353   HD21  LEU  48          3HD2      LEU  48  36.437  -3.174  -8.799
  354   HD22  LEU  48          1HD2      LEU  48  38.193  -3.386  -8.595
  355   HD23  LEU  48          2HD2      LEU  48  37.565  -2.014  -9.539
  356    H    GLN  49           H        GLN  49  33.322  -0.248  -7.435
  357    HA   GLN  49           HA       GLN  49  33.191   2.593  -7.944
  358    HB2  GLN  49           2HB      GLN  49  32.058   0.866  -9.304
  359    HB3  GLN  49           1HB      GLN  49  30.982   0.519  -7.933
  360    HG2  GLN  49           2HG      GLN  49  29.586   2.124  -8.632
  361    HG3  GLN  49           1HG      GLN  49  30.874   3.336  -8.432
  362   HE21  GLN  49          1HE2      GLN  49  32.535   3.453 -10.172
  363   HE22  GLN  49          2HE2      GLN  49  31.978   3.134 -11.816
  364    H    ASP  50           H        ASP  50  31.573   0.446  -5.675
  365    HA   ASP  50           HA       ASP  50  30.130   2.509  -4.424
  366    HB2  ASP  50           2HB      ASP  50  30.721  -0.297  -3.443
  367    HB3  ASP  50           1HB      ASP  50  29.585   0.833  -2.672
  368    H    MET  51           H        MET  51  33.196   0.905  -3.566
  369    HA   MET  51           HA       MET  51  33.256   2.201  -0.982
  370    HB2  MET  51           2HB      MET  51  35.550   1.187  -2.640
  371    HB3  MET  51           1HB      MET  51  35.759   1.993  -1.076
  372    HG2  MET  51           2HG      MET  51  35.676  -0.679  -1.467
  373    HG3  MET  51           1HG      MET  51  35.360   0.155   0.070
  374    HE1  MET  51           3HE      MET  51  33.962  -1.046   1.394
  375    HE2  MET  51           1HE      MET  51  32.203  -0.880   1.177
  376    HE3  MET  51           2HE      MET  51  33.246   0.562   1.128
  377    H    ILE  52           H        ILE  52  34.381   3.170  -4.184
  378    HA   ILE  52           HA       ILE  52  35.549   5.635  -3.194
  379    HB   ILE  52           HB       ILE  52  34.602   4.752  -5.916
  380   HG12  ILE  52          2HG1      ILE  52  37.105   5.160  -4.339
  381   HG13  ILE  52          1HG1      ILE  52  36.648   3.840  -5.435
  382   HG21  ILE  52          1HG2      ILE  52  35.450   6.863  -6.868
  383   HG22  ILE  52          2HG2      ILE  52  35.717   7.507  -5.230
  384   HG23  ILE  52          3HG2      ILE  52  34.063   7.170  -5.796
  385   HD11  ILE  52          3HD1      ILE  52  37.140   5.268  -7.374
  386   HD12  ILE  52          1HD1      ILE  52  38.556   5.098  -6.309
  387   HD13  ILE  52          2HD1      ILE  52  37.596   6.597  -6.281
  388    H    ASN  53           H        ASN  53  32.422   4.918  -4.687
  389    HA   ASN  53           HA       ASN  53  31.444   7.548  -4.444
  390    HB2  ASN  53           2HB      ASN  53  30.531   5.658  -5.837
  391    HB3  ASN  53           1HB      ASN  53  29.701   5.084  -4.374
  392   HD21  ASN  53          1HD2      ASN  53  27.972   5.402  -6.013
  393   HD22  ASN  53          2HD2      ASN  53  27.229   7.016  -6.026
  394    H    GLU  54           H        GLU  54  31.496   5.061  -2.092
  395    HA   GLU  54           HA       GLU  54  29.516   6.269  -0.369
  396    HB2  GLU  54           2HB      GLU  54  30.274   4.757   1.432
  397    HB3  GLU  54           1HB      GLU  54  30.069   3.884  -0.142
  398    HG2  GLU  54           2HG      GLU  54  32.441   3.732  -0.328
  399    HG3  GLU  54           1HG      GLU  54  32.689   4.924   0.968
  400    H    VAL  55           H        VAL  55  32.863   6.811  -0.927
  401    HA   VAL  55           HA       VAL  55  32.807   8.760   1.305
  402    HB   VAL  55           HB       VAL  55  35.228   8.519   1.504
  403   HG11  VAL  55          1HG1      VAL  55  35.162   6.307   2.613
  404   HG12  VAL  55          2HG1      VAL  55  33.616   5.967   1.799
  405   HG13  VAL  55          3HG1      VAL  55  33.730   7.302   2.970
  406   HG21  VAL  55          3HG2      VAL  55  34.981   6.232  -0.470
  407   HG22  VAL  55          1HG2      VAL  55  36.417   6.613   0.511
  408   HG23  VAL  55          2HG2      VAL  55  35.852   7.764  -0.723
  409    H    ASP  56           H        ASP  56  32.220   8.881  -1.790
  410    HA   ASP  56           HA       ASP  56  34.197  10.914  -2.504
  411    HB2  ASP  56           2HB      ASP  56  33.331   9.212  -4.159
  412    HB3  ASP  56           1HB      ASP  56  31.755  10.031  -4.074
  413    H    ALA  57           H        ALA  57  33.999  12.940  -2.219
  414    HA   ALA  57           HA       ALA  57  31.444  13.615  -0.786
  415    HB1  ALA  57           3HB      ALA  57  33.427  14.157   0.523
  416    HB2  ALA  57           1HB      ALA  57  32.550  15.643   0.085
  417    HB3  ALA  57           2HB      ALA  57  34.035  15.195  -0.789
  418    H    ASP  58           H        ASP  58  33.305  14.326  -3.628
  419    HA   ASP  58           HA       ASP  58  31.650  16.657  -4.227
  420    HB2  ASP  58           2HB      ASP  58  33.207  16.917  -6.153
  421    HB3  ASP  58           1HB      ASP  58  34.011  16.922  -4.568
  422    H    GLY  59           H        GLY  59  31.808  13.270  -5.072
  423    HA2  GLY  59           2HA      GLY  59  29.989  12.185  -6.193
  424    HA3  GLY  59           1HA      GLY  59  29.329  13.775  -6.634
  425    H    ASN  60           H        ASN  60  32.736  13.244  -7.123
  426    HA   ASN  60           HA       ASN  60  32.236  13.687  -9.983
  427    HB2  ASN  60           2HB      ASN  60  34.577  14.149 -10.247
  428    HB3  ASN  60           1HB      ASN  60  33.931  15.070  -8.870
  429   HD21  ASN  60          1HD2      ASN  60  36.708  14.864  -8.877
  430   HD22  ASN  60          2HD2      ASN  60  37.049  13.603  -7.757
  431    H    GLY  61           H        GLY  61  33.455  11.141  -7.895
  432    HA2  GLY  61           2HA      GLY  61  33.218   8.814  -8.619
  433    HA3  GLY  61           1HA      GLY  61  33.398   9.366 -10.296
  434    H    THR  62           H        THR  62  35.471  10.492  -7.611
  435    HA   THR  62           HA       THR  62  37.591   8.685  -8.214
  436    HB   THR  62           HB       THR  62  39.113  10.791  -8.619
  437    HG1  THR  62           HG1      THR  62  38.095  12.462  -9.637
  438   HG21  THR  62          3HG2      THR  62  38.892   9.001 -10.309
  439   HG22  THR  62          1HG2      THR  62  38.936  10.610 -11.067
  440   HG23  THR  62          2HG2      THR  62  37.388   9.747 -10.900
  441    H    ILE  63           H        ILE  63  39.390   9.130  -6.749
  442    HA   ILE  63           HA       ILE  63  38.365  10.769  -4.442
  443    HB   ILE  63           HB       ILE  63  39.729   8.068  -4.274
  444   HG12  ILE  63          2HG1      ILE  63  37.264   8.140  -4.753
  445   HG13  ILE  63          1HG1      ILE  63  37.760   7.226  -3.314
  446   HG21  ILE  63          1HG2      ILE  63  39.500   8.193  -1.822
  447   HG22  ILE  63          2HG2      ILE  63  38.934   9.874  -1.962
  448   HG23  ILE  63          3HG2      ILE  63  40.593   9.451  -2.447
  449   HD11  ILE  63          3HD1      ILE  63  37.072   9.103  -1.875
  450   HD12  ILE  63          1HD1      ILE  63  35.723   8.524  -2.882
  451   HD13  ILE  63          2HD1      ILE  63  36.576  10.025  -3.315
  452    H    ASP  64           H        ASP  64  39.773  12.076  -3.424
  453    HA   ASP  64           HA       ASP  64  42.597  11.807  -4.365
  454    HB2  ASP  64           2HB      ASP  64  42.880  14.161  -4.171
  455    HB3  ASP  64           1HB      ASP  64  41.340  13.877  -5.012
  456    H    PHE  65           H        PHE  65  43.994  13.251  -2.712
  457    HA   PHE  65           HA       PHE  65  44.133  11.511  -0.392
  458    HB2  PHE  65           2HB      PHE  65  46.220  12.311  -0.883
  459    HB3  PHE  65           1HB      PHE  65  45.678  14.002  -0.978
  460    HD1  PHE  65           HD1      PHE  65  45.875  11.156   1.525
  461    HD2  PHE  65           HD2      PHE  65  46.151  15.423   0.764
  462    HE1  PHE  65           HE1      PHE  65  46.427  11.553   3.940
  463    HE2  PHE  65           HE2      PHE  65  46.716  15.819   3.175
  464    HZ   PHE  65           HZ       PHE  65  46.825  13.881   4.744
  465    HA   PRO  66           HA       PRO  66  42.221  15.089   2.325
  466    HB2  PRO  66           2HB      PRO  66  40.318  16.087   0.227
  467    HB3  PRO  66           1HB      PRO  66  41.074  16.956   1.587
  468    HG2  PRO  66           1HG      PRO  66  41.952  17.243  -0.982
  469    HG3  PRO  66           2HG      PRO  66  43.063  17.328   0.410
  470    HD2  PRO  66           1HD      PRO  66  42.657  15.118  -1.567
  471    HD3  PRO  66           2HD      PRO  66  44.108  15.543  -0.624
  472    H    GLU  67           H        GLU  67  40.227  13.658  -0.285
  473    HA   GLU  67           HA       GLU  67  37.985  13.020   1.376
  474    HB2  GLU  67           2HB      GLU  67  38.844  11.961  -1.327
  475    HB3  GLU  67           1HB      GLU  67  37.292  11.621  -0.537
  476    HG2  GLU  67           2HG      GLU  67  36.687  14.000  -0.670
  477    HG3  GLU  67           1HG      GLU  67  38.248  14.356  -1.446
  478    H    PHE  68           H        PHE  68  40.786  11.269   0.097
  479    HA   PHE  68           HA       PHE  68  40.187   8.828   1.360
  480    HB2  PHE  68           2HB      PHE  68  42.058   8.982  -0.156
  481    HB3  PHE  68           1HB      PHE  68  42.908  10.101   0.934
  482    HD1  PHE  68           HD2      PHE  68  41.456   6.621   0.809
  483    HD2  PHE  68           HD1      PHE  68  44.407   9.309   2.523
  484    HE1  PHE  68           HE2      PHE  68  42.548   4.684   1.969
  485    HE2  PHE  68           HE1      PHE  68  45.512   7.368   3.667
  486    HZ   PHE  68           HZ       PHE  68  44.585   5.072   3.355
  487    H    LEU  69           H        LEU  69  41.701  11.697   2.750
  488    HA   LEU  69           HA       LEU  69  42.384  10.334   5.233
  489    HB2  LEU  69           2HB      LEU  69  43.603  12.332   4.545
  490    HB3  LEU  69           1HB      LEU  69  42.129  13.303   4.736
  491    HG   LEU  69           HG       LEU  69  43.032  11.744   7.087
  492   HD11  LEU  69          1HD1      LEU  69  44.682  13.444   7.765
  493   HD12  LEU  69          2HD1      LEU  69  44.533  14.202   6.161
  494   HD13  LEU  69          3HD1      LEU  69  45.170  12.547   6.307
  495   HD21  LEU  69          3HD2      LEU  69  41.974  14.570   6.818
  496   HD22  LEU  69          1HD2      LEU  69  42.361  13.747   8.348
  497   HD23  LEU  69          2HD2      LEU  69  41.054  13.128   7.310
  498    H    THR  70           H        THR  70  39.709  12.442   4.227
  499    HA   THR  70           HA       THR  70  38.342  12.321   6.699
  500    HB   THR  70           HB       THR  70  36.279  12.748   5.324
  501    HG1  THR  70           HG1      THR  70  36.822  11.669   3.395
  502   HG21  THR  70          3HG2      THR  70  37.732  14.610   6.077
  503   HG22  THR  70          1HG2      THR  70  37.043  14.938   4.468
  504   HG23  THR  70          2HG2      THR  70  38.737  14.412   4.621
  505    H    MET  71           H        MET  71  38.220  10.121   3.912
  506    HA   MET  71           HA       MET  71  36.426   8.262   5.029
  507    HB2  MET  71           2HB      MET  71  37.075   8.152   2.750
  508    HB3  MET  71           1HB      MET  71  38.783   7.939   3.181
  509    HG2  MET  71           2HG      MET  71  36.670   5.892   3.847
  510    HG3  MET  71           1HG      MET  71  37.545   5.913   2.301
  511    HE1  MET  71           3HE      MET  71  37.967   3.208   3.309
  512    HE2  MET  71           1HE      MET  71  39.732   3.227   3.078
  513    HE3  MET  71           2HE      MET  71  38.680   4.159   1.985
  514    H    MET  72           H        MET  72  39.851   8.583   5.425
  515    HA   MET  72           HA       MET  72  40.304   6.273   7.040
  516    HB2  MET  72           2HB      MET  72  41.790   8.898   7.136
  517    HB3  MET  72           1HB      MET  72  42.299   7.398   7.940
  518    HG2  MET  72           2HG      MET  72  41.758   7.222   5.035
  519    HG3  MET  72           1HG      MET  72  43.166   8.187   5.525
  520    HE1  MET  72           3HE      MET  72  41.591   4.852   7.017
  521    HE2  MET  72           1HE      MET  72  42.647   3.652   6.236
  522    HE3  MET  72           2HE      MET  72  41.557   4.654   5.248
  523    H    ALA  73           H        ALA  73  39.036   9.422   7.899
  524    HA   ALA  73           HA       ALA  73  39.218   9.024  10.739
  525    HB1  ALA  73           3HB      ALA  73  38.617  11.201   9.802
  526    HB2  ALA  73           1HB      ALA  73  37.339  10.627  10.900
  527    HB3  ALA  73           2HB      ALA  73  37.113  10.522   9.137
  528    H    ARG  74           H        ARG  74  36.945   7.998   8.303
  529    HA   ARG  74           HA       ARG  74  35.072   6.792  10.152
  530    HB2  ARG  74           2HB      ARG  74  35.574   6.348   7.206
  531    HB3  ARG  74           1HB      ARG  74  34.260   5.574   8.119
  532    HG2  ARG  74           2HG      ARG  74  34.611   8.577   8.115
  533    HG3  ARG  74           1HG      ARG  74  33.721   7.742   6.819
  534    HD2  ARG  74           2HD      ARG  74  32.791   6.638   9.266
  535    HD3  ARG  74           1HD      ARG  74  32.849   8.400   9.504
  536    HE   ARG  74           HE       ARG  74  31.110   8.640   8.068
  537   HH11  ARG  74          1HH2      ARG  74  32.527   5.385   7.576
  538   HH12  ARG  74          2HH2      ARG  74  31.492   4.960   6.268
  539   HH21  ARG  74          1HH1      ARG  74  29.565   7.895   6.421
  540   HH22  ARG  74          2HH1      ARG  74  29.795   6.381   5.634
  541    H    LYS  75           H        LYS  75  38.039   5.723   8.773
  542    HA   LYS  75           HA       LYS  75  37.692   2.922   9.255
  543    HB2  LYS  75           2HB      LYS  75  39.517   3.942   7.921
  544    HB3  LYS  75           1HB      LYS  75  40.255   4.516   9.427
  545    HG2  LYS  75           2HG      LYS  75  39.875   1.652   9.514
  546    HG3  LYS  75           1HG      LYS  75  40.770   2.132   8.057
  547    HD2  LYS  75           2HD      LYS  75  42.546   1.909   9.454
  548    HD3  LYS  75           1HD      LYS  75  42.125   3.588   9.856
  549    HE2  LYS  75           2HE      LYS  75  40.762   2.699  11.783
  550    HE3  LYS  75           1HE      LYS  75  41.424   1.087  11.428
  551    HZ1  LYS  75           3HZ      LYS  75  42.577   2.373  13.156
  552    HZ2  LYS  75           1HZ      LYS  75  43.087   3.458  11.934
  553    HZ3  LYS  75           2HZ      LYS  75  43.581   1.824  11.890
  554    H    MET  76           H        MET  76  36.654   2.509  11.170
  555    HA   MET  76           HA       MET  76  38.189   2.004  13.465
  556    HB2  MET  76           2HB      MET  76  36.984   3.603  15.002
  557    HB3  MET  76           1HB      MET  76  38.243   4.306  13.966
  558    HG2  MET  76           2HG      MET  76  36.400   5.830  14.047
  559    HG3  MET  76           1HG      MET  76  36.462   5.111  12.423
  560    HE1  MET  76           3HE      MET  76  34.043   6.631  12.845
  561    HE2  MET  76           1HE      MET  76  32.743   5.486  12.439
  562    HE3  MET  76           2HE      MET  76  34.254   5.486  11.499
  563    HC1  HLT 149           H4       HLT 149  37.502   1.028   4.910
  Start of MODEL    3
    1    H1   ALA   1           1H       ALA   1  49.656  16.352  16.533
    2    H2   ALA   1           2H       ALA   1  48.361  16.994  15.610
    3    H3   ALA   1           3H       ALA   1  48.211  16.896  17.306
    4    HA   ALA   1           HA       ALA   1  48.354  14.636  15.419
    5    HB1  ALA   1           3HB      ALA   1  49.408  14.190  17.646
    6    HB2  ALA   1           1HB      ALA   1  47.867  13.318  17.461
    7    HB3  ALA   1           2HB      ALA   1  47.939  14.800  18.445
    8    H    ASP   2           H        ASP   2  46.669  15.439  14.158
    9    HA   ASP   2           HA       ASP   2  44.265  16.311  15.593
   10    HB2  ASP   2           2HB      ASP   2  43.419  16.468  13.123
   11    HB3  ASP   2           1HB      ASP   2  44.504  17.713  13.782
   12    H    GLN   3           H        GLN   3  45.000  14.112  12.883
   13    HA   GLN   3           HA       GLN   3  42.905  12.268  13.748
   14    HB2  GLN   3           2HB      GLN   3  45.036  12.018  11.601
   15    HB3  GLN   3           1HB      GLN   3  43.726  10.854  11.898
   16    HG2  GLN   3           2HG      GLN   3  43.417  13.749  11.004
   17    HG3  GLN   3           1HG      GLN   3  43.092  12.289  10.038
   18   HE21  GLN   3          1HE2      GLN   3  41.618  14.671  11.606
   19   HE22  GLN   3          2HE2      GLN   3  40.287  13.844  12.388
   20    H    LEU   4           H        LEU   4  46.424  12.199  13.303
   21    HA   LEU   4           HA       LEU   4  46.652  10.742  15.823
   22    HB2  LEU   4           2HB      LEU   4  46.808   9.405  13.236
   23    HB3  LEU   4           1HB      LEU   4  48.304   9.238  14.177
   24    HG   LEU   4           HG       LEU   4  47.182   7.388  14.794
   25   HD11  LEU   4          1HD1      LEU   4  46.310   7.640  17.081
   26   HD12  LEU   4          2HD1      LEU   4  46.288   9.405  16.853
   27   HD13  LEU   4          3HD1      LEU   4  47.831   8.521  16.797
   28   HD21  LEU   4          3HD2      LEU   4  44.539   8.842  14.783
   29   HD22  LEU   4          1HD2      LEU   4  44.783   7.140  15.243
   30   HD23  LEU   4          2HD2      LEU   4  45.138   7.673  13.582
   31    H    THR   5           H        THR   5  49.264  10.002  15.693
   32    HA   THR   5           HA       THR   5  50.550  12.590  15.844
   33    HB   THR   5           HB       THR   5  52.506  11.492  16.466
   34    HG1  THR   5           HG1      THR   5  52.829   9.224  16.032
   35   HG21  THR   5          3HG2      THR   5  50.755  11.165  18.142
   36   HG22  THR   5          1HG2      THR   5  51.854   9.765  18.105
   37   HG23  THR   5          2HG2      THR   5  50.249   9.656  17.344
   38    H    GLU   6           H        GLU   6  52.341  13.344  14.566
   39    HA   GLU   6           HA       GLU   6  51.818  13.473  11.887
   40    HB2  GLU   6           2HB      GLU   6  53.313  14.921  13.225
   41    HB3  GLU   6           1HB      GLU   6  54.560  13.662  13.115
   42    HG2  GLU   6           2HG      GLU   6  53.442  14.505  10.512
   43    HG3  GLU   6           1HG      GLU   6  54.318  15.775  11.397
   44    H    GLU   7           H        GLU   7  53.459  10.873  13.505
   45    HA   GLU   7           HA       GLU   7  54.752   9.613  11.335
   46    HB2  GLU   7           2HB      GLU   7  53.243   8.429  13.694
   47    HB3  GLU   7           1HB      GLU   7  54.434   7.578  12.684
   48    HG2  GLU   7           2HG      GLU   7  55.264  10.146  14.010
   49    HG3  GLU   7           1HG      GLU   7  55.137   8.674  15.005
   50    H    GLN   8           H        GLN   8  51.511   9.067  12.679
   51    HA   GLN   8           HA       GLN   8  50.827   7.261  10.561
   52    HB2  GLN   8           2HB      GLN   8  49.679   7.373  12.767
   53    HB3  GLN   8           1HB      GLN   8  48.859   8.844  12.203
   54    HG2  GLN   8           2HG      GLN   8  47.428   6.845  11.989
   55    HG3  GLN   8           1HG      GLN   8  47.769   7.594  10.412
   56   HE21  GLN   8          1HE2      GLN   8  50.080   5.627  12.297
   57   HE22  GLN   8          2HE2      GLN   8  50.255   4.445  11.096
   58    H    ILE   9           H        ILE   9  49.973  10.609  11.054
   59    HA   ILE   9           HA       ILE   9  48.549  11.042   8.655
   60    HB   ILE   9           HB       ILE   9  50.482  12.947   9.993
   61   HG12  ILE   9          2HG1      ILE   9  47.465  12.666  10.213
   62   HG13  ILE   9          1HG1      ILE   9  48.643  12.102  11.420
   63   HG21  ILE   9          1HG2      ILE   9  49.214  14.745   8.861
   64   HG22  ILE   9          2HG2      ILE   9  48.277  13.520   7.972
   65   HG23  ILE   9          3HG2      ILE   9  50.027  13.679   7.690
   66   HD11  ILE   9          3HD1      ILE   9  49.423  14.425  11.749
   67   HD12  ILE   9          1HD1      ILE   9  47.678  14.277  12.069
   68   HD13  ILE   9          2HD1      ILE   9  48.245  14.991  10.541
   69    H    ALA  10           H        ALA  10  52.032  11.127   9.087
   70    HA   ALA  10           HA       ALA  10  52.774  11.792   6.417
   71    HB1  ALA  10           3HB      ALA  10  54.404  11.832   8.246
   72    HB2  ALA  10           1HB      ALA  10  54.953  10.750   6.944
   73    HB3  ALA  10           2HB      ALA  10  54.259  10.068   8.434
   74    H    GLU  11           H        GLU  11  52.506   8.584   8.032
   75    HA   GLU  11           HA       GLU  11  52.833   7.178   5.611
   76    HB2  GLU  11           2HB      GLU  11  51.489   6.402   8.190
   77    HB3  GLU  11           1HB      GLU  11  51.693   5.291   6.817
   78    HG2  GLU  11           2HG      GLU  11  53.848   4.922   7.346
   79    HG3  GLU  11           1HG      GLU  11  54.187   6.667   7.432
   80    H    PHE  12           H        PHE  12  50.060   8.784   6.845
   81    HA   PHE  12           HA       PHE  12  48.183   7.408   5.109
   82    HB2  PHE  12           2HB      PHE  12  48.069  10.217   6.201
   83    HB3  PHE  12           1HB      PHE  12  46.839   9.559   5.100
   84    HD1  PHE  12           HD1      PHE  12  47.508   6.639   6.654
   85    HD2  PHE  12           HD2      PHE  12  46.070  10.608   7.671
   86    HE1  PHE  12           HE1      PHE  12  46.211   5.682   8.570
   87    HE2  PHE  12           HE2      PHE  12  44.780   9.653   9.591
   88    HZ   PHE  12           HZ       PHE  12  44.851   7.194  10.014
   89    H    LYS  13           H        LYS  13  50.443  10.018   4.647
   90    HA   LYS  13           HA       LYS  13  49.701  10.545   1.905
   91    HB2  LYS  13           2HB      LYS  13  51.035  12.117   3.116
   92    HB3  LYS  13           1HB      LYS  13  52.313  10.912   3.353
   93    HG2  LYS  13           2HG      LYS  13  51.578  11.866   0.606
   94    HG3  LYS  13           1HG      LYS  13  52.646  12.811   1.661
   95    HD2  LYS  13           2HD      LYS  13  54.370  11.656   0.881
   96    HD3  LYS  13           1HD      LYS  13  53.704  10.203   1.657
   97    HE2  LYS  13           2HE      LYS  13  54.247   9.932  -0.795
   98    HE3  LYS  13           1HE      LYS  13  52.561   9.553  -0.368
   99    HZ1  LYS  13           3HZ      LYS  13  51.870  11.644  -1.134
  100    HZ2  LYS  13           1HZ      LYS  13  52.804  10.940  -2.336
  101    HZ3  LYS  13           2HZ      LYS  13  53.459  12.187  -1.404
  102    H    GLU  14           H        GLU  14  52.019   8.242   3.388
  103    HA   GLU  14           HA       GLU  14  52.845   7.199   0.863
  104    HB2  GLU  14           2HB      GLU  14  52.695   5.726   3.500
  105    HB3  GLU  14           1HB      GLU  14  53.630   5.243   2.068
  106    HG2  GLU  14           2HG      GLU  14  54.857   7.478   2.279
  107    HG3  GLU  14           1HG      GLU  14  54.086   7.637   3.876
  108    H    ALA  15           H        ALA  15  50.187   6.417   2.908
  109    HA   ALA  15           HA       ALA  15  49.228   4.151   1.422
  110    HB1  ALA  15           3HB      ALA  15  48.403   4.609   3.675
  111    HB2  ALA  15           1HB      ALA  15  47.046   4.529   2.526
  112    HB3  ALA  15           2HB      ALA  15  47.628   6.108   3.108
  113    H    PHE  16           H        PHE  16  48.613   7.639   1.153
  114    HA   PHE  16           HA       PHE  16  46.660   7.548  -0.855
  115    HB2  PHE  16           2HB      PHE  16  47.364   9.548   0.467
  116    HB3  PHE  16           1HB      PHE  16  48.876   9.591  -0.470
  117    HD1  PHE  16           HD2      PHE  16  45.264   8.970  -1.362
  118    HD2  PHE  16           HD1      PHE  16  48.837  11.363  -1.981
  119    HE1  PHE  16           HE2      PHE  16  44.133  10.175  -3.241
  120    HE2  PHE  16           HE1      PHE  16  47.690  12.588  -3.843
  121    HZ   PHE  16           HZ       PHE  16  45.360  11.958  -4.481
  122    H    SER  17           H        SER  17  50.147   7.531  -0.976
  123    HA   SER  17           HA       SER  17  50.464   7.430  -3.825
  124    HB2  SER  17           2HB      SER  17  52.260   7.793  -2.125
  125    HB3  SER  17           1HB      SER  17  52.185   6.061  -1.738
  126    HG   SER  17           HG       SER  17  53.825   6.508  -3.181
  127    H    LEU  18           H        LEU  18  49.828   4.880  -1.459
  128    HA   LEU  18           HA       LEU  18  50.297   2.722  -3.222
  129    HB2  LEU  18           2HB      LEU  18  48.430   2.944  -0.867
  130    HB3  LEU  18           1HB      LEU  18  48.636   1.444  -1.798
  131    HG   LEU  18           HG       LEU  18  50.867   2.972  -0.457
  132   HD11  LEU  18          1HD1      LEU  18  50.899   1.173   1.225
  133   HD12  LEU  18          2HD1      LEU  18  49.429   0.483   0.497
  134   HD13  LEU  18          3HD1      LEU  18  49.378   2.098   1.243
  135   HD21  LEU  18          3HD2      LEU  18  50.838   0.235  -1.757
  136   HD22  LEU  18          1HD2      LEU  18  52.204   0.940  -0.859
  137   HD23  LEU  18          2HD2      LEU  18  51.643   1.699  -2.368
  138    H    PHE  19           H        PHE  19  47.435   4.794  -2.919
  139    HA   PHE  19           HA       PHE  19  45.933   2.967  -4.668
  140    HB2  PHE  19           2HB      PHE  19  45.231   5.826  -4.002
  141    HB3  PHE  19           1HB      PHE  19  44.180   4.569  -4.688
  142    HD1  PHE  19           HD1      PHE  19  43.391   2.660  -3.281
  143    HD2  PHE  19           HD2      PHE  19  45.588   6.043  -1.677
  144    HE1  PHE  19           HE1      PHE  19  42.655   2.042  -0.967
  145    HE2  PHE  19           HE2      PHE  19  44.858   5.423   0.635
  146    HZ   PHE  19           HZ       PHE  19  43.436   3.399   0.976
  147    H    ASP  20           H        ASP  20  47.069   6.367  -4.840
  148    HA   ASP  20           HA       ASP  20  46.822   6.231  -7.715
  149    HB2  ASP  20           2HB      ASP  20  46.222   8.211  -6.238
  150    HB3  ASP  20           1HB      ASP  20  47.970   8.506  -6.087
  151    H    LYS  21           H        LYS  21  48.217   4.697  -8.197
  152    HA   LYS  21           HA       LYS  21  51.050   4.915  -7.347
  153    HB2  LYS  21           2HB      LYS  21  51.656   2.982  -8.480
  154    HB3  LYS  21           1HB      LYS  21  50.012   2.678  -7.883
  155    HG2  LYS  21           2HG      LYS  21  50.387   3.634 -10.700
  156    HG3  LYS  21           1HG      LYS  21  50.750   1.943 -10.295
  157    HD2  LYS  21           2HD      LYS  21  48.602   1.392 -10.315
  158    HD3  LYS  21           1HD      LYS  21  48.188   2.720  -9.210
  159    HE2  LYS  21           2HE      LYS  21  46.948   2.806 -11.349
  160    HE3  LYS  21           1HE      LYS  21  47.935   4.253 -11.048
  161    HZ1  LYS  21           3HZ      LYS  21  47.994   3.535 -13.252
  162    HZ2  LYS  21           1HZ      LYS  21  48.694   2.014 -12.796
  163    HZ3  LYS  21           2HZ      LYS  21  49.512   3.523 -12.517
  164    H    ASP  22           H        ASP  22  49.165   6.181  -9.923
  165    HA   ASP  22           HA       ASP  22  51.496   6.597 -11.636
  166    HB2  ASP  22           2HB      ASP  22  49.729   7.774 -13.059
  167    HB3  ASP  22           1HB      ASP  22  49.530   6.021 -12.822
  168    H    GLY  23           H        GLY  23  49.561   8.276  -9.229
  169    HA2  GLY  23           2HA      GLY  23  50.250  10.212  -8.088
  170    HA3  GLY  23           1HA      GLY  23  51.638  10.359  -9.188
  171    H    ASP  24           H        ASP  24  48.207   9.967 -10.223
  172    HA   ASP  24           HA       ASP  24  48.487  12.312 -11.908
  173    HB2  ASP  24           2HB      ASP  24  46.335  11.626 -12.885
  174    HB3  ASP  24           1HB      ASP  24  47.568  10.351 -12.993
  175    H    GLY  25           H        GLY  25  47.457  11.568  -8.889
  176    HA2  GLY  25           2HA      GLY  25  46.660  13.101  -7.217
  177    HA3  GLY  25           1HA      GLY  25  46.241  14.242  -8.513
  178    H    THR  26           H        THR  26  45.274  10.827  -8.856
  179    HA   THR  26           HA       THR  26  42.660  11.343  -7.886
  180    HB   THR  26           HB       THR  26  41.425  10.944  -9.863
  181    HG1  THR  26           HG1      THR  26  43.658  11.289 -11.537
  182   HG21  THR  26          3HG2      THR  26  41.686  13.259  -9.342
  183   HG22  THR  26          1HG2      THR  26  41.671  13.044 -11.109
  184   HG23  THR  26          2HG2      THR  26  43.208  13.341 -10.261
  185    H    ILE  27           H        ILE  27  42.025   9.712  -6.928
  186    HA   ILE  27           HA       ILE  27  43.333   7.097  -7.503
  187    HB   ILE  27           HB       ILE  27  41.308   7.891  -5.398
  188   HG12  ILE  27          2HG1      ILE  27  44.201   7.057  -5.079
  189   HG13  ILE  27          1HG1      ILE  27  43.641   8.744  -5.154
  190   HG21  ILE  27          1HG2      ILE  27  41.654   5.670  -4.377
  191   HG22  ILE  27          2HG2      ILE  27  42.636   5.184  -5.779
  192   HG23  ILE  27          3HG2      ILE  27  40.908   5.554  -5.989
  193   HD11  ILE  27          3HD1      ILE  27  42.224   8.366  -3.161
  194   HD12  ILE  27          1HD1      ILE  27  43.933   8.008  -2.814
  195   HD13  ILE  27          2HD1      ILE  27  42.782   6.677  -3.085
  196    H    THR  28           H        THR  28  42.617   6.114  -9.125
  197    HA   THR  28           HA       THR  28  39.794   6.236  -9.856
  198    HB   THR  28           HB       THR  28  40.167   4.979 -11.749
  199    HG1  THR  28           HG1      THR  28  42.731   4.239 -11.298
  200   HG21  THR  28          3HG2      THR  28  41.171   7.161 -11.901
  201   HG22  THR  28          1HG2      THR  28  42.139   5.989 -12.827
  202   HG23  THR  28          2HG2      THR  28  42.701   6.545 -11.232
  203    H    THR  29           H        THR  29  38.412   4.490 -10.299
  204    HA   THR  29           HA       THR  29  37.952   3.010  -7.958
  205    HB   THR  29           HB       THR  29  36.259   1.805  -9.113
  206    HG1  THR  29           HG1      THR  29  36.172   1.644 -11.253
  207   HG21  THR  29          3HG2      THR  29  35.784   4.202  -8.941
  208   HG22  THR  29          1HG2      THR  29  35.090   3.530 -10.436
  209   HG23  THR  29          2HG2      THR  29  36.589   4.489 -10.502
  210    H    LYS  30           H        LYS  30  39.454   2.069 -10.869
  211    HA   LYS  30           HA       LYS  30  39.899  -0.693 -10.251
  212    HB2  LYS  30           2HB      LYS  30  40.264   0.427 -12.486
  213    HB3  LYS  30           1HB      LYS  30  41.858   0.916 -11.874
  214    HG2  LYS  30           2HG      LYS  30  42.084  -1.071 -13.231
  215    HG3  LYS  30           1HG      LYS  30  42.441  -1.461 -11.535
  216    HD2  LYS  30           2HD      LYS  30  39.623  -1.870 -12.209
  217    HD3  LYS  30           1HD      LYS  30  40.714  -2.836 -13.224
  218    HE2  LYS  30           2HE      LYS  30  40.760  -2.808 -10.184
  219    HE3  LYS  30           1HE      LYS  30  39.960  -4.046 -11.181
  220    HZ1  LYS  30           3HZ      LYS  30  41.993  -4.659 -12.127
  221    HZ2  LYS  30           1HZ      LYS  30  42.259  -4.577 -10.449
  222    HZ3  LYS  30           2HZ      LYS  30  42.796  -3.296 -11.452
  223    H    GLU  31           H        GLU  31  41.767   2.157  -9.464
  224    HA   GLU  31           HA       GLU  31  43.989   0.800  -8.276
  225    HB2  GLU  31           2HB      GLU  31  42.957   3.623  -7.989
  226    HB3  GLU  31           1HB      GLU  31  44.464   3.018  -7.267
  227    HG2  GLU  31           2HG      GLU  31  45.353   2.499  -9.490
  228    HG3  GLU  31           1HG      GLU  31  43.828   3.026 -10.241
  229    H    LEU  32           H        LEU  32  40.975   2.235  -7.012
  230    HA   LEU  32           HA       LEU  32  41.332   1.836  -4.293
  231    HB2  LEU  32           2HB      LEU  32  39.361   2.812  -5.472
  232    HB3  LEU  32           1HB      LEU  32  38.869   1.170  -5.929
  233    HG   LEU  32           HG       LEU  32  37.588   2.141  -4.093
  234   HD11  LEU  32          1HD1      LEU  32  37.608   0.195  -2.597
  235   HD12  LEU  32          2HD1      LEU  32  39.115  -0.359  -3.366
  236   HD13  LEU  32          3HD1      LEU  32  37.618  -0.246  -4.322
  237   HD21  LEU  32          3HD2      LEU  32  40.177   2.055  -2.544
  238   HD22  LEU  32          1HD2      LEU  32  38.566   2.342  -1.843
  239   HD23  LEU  32          2HD2      LEU  32  39.244   3.495  -3.018
  240    H    GLY  33           H        GLY  33  40.262  -0.401  -6.721
  241    HA2  GLY  33           2HA      GLY  33  40.015  -2.699  -5.002
  242    HA3  GLY  33           1HA      GLY  33  40.274  -2.784  -6.759
  243    H    THR  34           H        THR  34  42.743  -1.422  -6.838
  244    HA   THR  34           HA       THR  34  44.530  -3.605  -6.433
  245    HB   THR  34           HB       THR  34  45.097  -0.658  -6.729
  246    HG1  THR  34           HG1      THR  34  45.187  -2.584  -8.729
  247   HG21  THR  34          3HG2      THR  34  47.117  -1.862  -5.980
  248   HG22  THR  34          1HG2      THR  34  47.260  -1.336  -7.674
  249   HG23  THR  34          2HG2      THR  34  46.904  -3.039  -7.297
  250    H    VAL  35           H        VAL  35  44.230  -0.580  -4.516
  251    HA   VAL  35           HA       VAL  35  46.086  -1.679  -2.633
  252    HB   VAL  35           HB       VAL  35  44.137   0.579  -2.253
  253   HG11  VAL  35          1HG1      VAL  35  45.651   1.392  -0.508
  254   HG12  VAL  35          2HG1      VAL  35  46.647  -0.074  -0.667
  255   HG13  VAL  35          3HG1      VAL  35  44.978  -0.193  -0.062
  256   HG21  VAL  35          3HG2      VAL  35  47.018   0.339  -3.163
  257   HG22  VAL  35          1HG2      VAL  35  46.143   1.869  -2.920
  258   HG23  VAL  35          2HG2      VAL  35  45.609   0.730  -4.179
  259    H    MET  36           H        MET  36  42.570  -1.274  -2.378
  260    HA   MET  36           HA       MET  36  42.296  -2.586   0.056
  261    HB2  MET  36           2HB      MET  36  40.521  -2.769  -2.368
  262    HB3  MET  36           1HB      MET  36  40.107  -3.545  -0.823
  263    HG2  MET  36           2HG      MET  36  40.654  -0.582  -1.224
  264    HG3  MET  36           1HG      MET  36  39.049  -1.328  -1.063
  265    HE1  MET  36           3HE      MET  36  42.464  -0.552   0.634
  266    HE2  MET  36           1HE      MET  36  41.816   0.121   2.149
  267    HE3  MET  36           2HE      MET  36  41.332   0.821   0.585
  268    H    ARG  37           H        ARG  37  42.863  -4.049  -3.010
  269    HA   ARG  37           HA       ARG  37  42.880  -6.779  -2.115
  270    HB2  ARG  37           2HB      ARG  37  42.797  -5.928  -4.507
  271    HB3  ARG  37           1HB      ARG  37  44.550  -5.675  -4.367
  272    HG2  ARG  37           2HG      ARG  37  44.494  -7.767  -5.291
  273    HG3  ARG  37           1HG      ARG  37  44.537  -8.171  -3.560
  274    HD2  ARG  37           2HD      ARG  37  41.836  -7.935  -4.004
  275    HD3  ARG  37           1HD      ARG  37  42.400  -8.595  -5.556
  276    HE   ARG  37           HE       ARG  37  42.389  -9.876  -2.953
  277   HH11  ARG  37          1HH2      ARG  37  43.883  -9.663  -6.112
  278   HH12  ARG  37          2HH2      ARG  37  44.548 -11.251  -6.174
  279   HH21  ARG  37          1HH1      ARG  37  43.173 -12.140  -2.996
  280   HH22  ARG  37          2HH1      ARG  37  44.094 -12.719  -4.322
  281    H    SER  38           H        SER  38  45.450  -4.346  -2.382
  282    HA   SER  38           HA       SER  38  47.608  -6.079  -1.830
  283    HB2  SER  38           2HB      SER  38  48.938  -4.093  -1.277
  284    HB3  SER  38           1HB      SER  38  48.007  -3.876  -2.776
  285    HG   SER  38           HG       SER  38  48.058  -2.135  -1.044
  286    H    LEU  39           H        LEU  39  45.473  -4.310   0.283
  287    HA   LEU  39           HA       LEU  39  46.865  -4.956   2.685
  288    HB2  LEU  39           2HB      LEU  39  44.101  -4.023   2.003
  289    HB3  LEU  39           1HB      LEU  39  44.503  -4.490   3.667
  290    HG   LEU  39           HG       LEU  39  45.959  -2.728   3.962
  291   HD11  LEU  39          1HD1      LEU  39  46.720  -1.105   2.300
  292   HD12  LEU  39          2HD1      LEU  39  45.957  -2.067   1.011
  293   HD13  LEU  39          3HD1      LEU  39  47.308  -2.748   1.948
  294   HD21  LEU  39          3HD2      LEU  39  43.649  -1.726   2.281
  295   HD22  LEU  39          1HD2      LEU  39  44.624  -0.726   3.384
  296   HD23  LEU  39          2HD2      LEU  39  43.643  -2.064   4.028
  297    H    GLY  40           H        GLY  40  45.363  -7.015   0.609
  298    HA2  GLY  40           2HA      GLY  40  45.372  -9.356   0.892
  299    HA3  GLY  40           1HA      GLY  40  45.417  -9.128   2.655
  300    H    GLN  41           H        GLN  41  43.324  -8.118  -0.063
  301    HA   GLN  41           HA       GLN  41  41.024  -9.433   1.228
  302    HB2  GLN  41           2HB      GLN  41  41.046  -6.453   0.641
  303    HB3  GLN  41           1HB      GLN  41  39.603  -7.409   1.033
  304    HG2  GLN  41           2HG      GLN  41  41.943  -6.833   2.881
  305    HG3  GLN  41           1HG      GLN  41  40.303  -6.149   2.982
  306   HE21  GLN  41          1HE2      GLN  41  41.471  -7.485   5.104
  307   HE22  GLN  41          2HE2      GLN  41  40.638  -9.007   5.328
  308    H    ASN  42           H        ASN  42  38.980  -9.182  -0.299
  309    HA   ASN  42           HA       ASN  42  39.996  -8.676  -3.057
  310    HB2  ASN  42           2HB      ASN  42  39.901 -11.141  -2.625
  311    HB3  ASN  42           1HB      ASN  42  38.147 -10.986  -2.381
  312   HD21  ASN  42          1HD2      ASN  42  40.799 -10.596  -4.665
  313   HD22  ASN  42          2HD2      ASN  42  39.791 -10.747  -6.096
  314    HA   PRO  43           HA       PRO  43  36.206  -6.387  -2.964
  315    HB2  PRO  43           2HB      PRO  43  37.083  -4.270  -4.398
  316    HB3  PRO  43           1HB      PRO  43  37.612  -4.501  -2.711
  317    HG2  PRO  43           1HG      PRO  43  39.102  -5.154  -5.282
  318    HG3  PRO  43           2HG      PRO  43  39.709  -4.356  -3.807
  319    HD2  PRO  43           1HD      PRO  43  39.993  -7.078  -4.330
  320    HD3  PRO  43           2HD      PRO  43  40.001  -6.368  -2.694
  321    H    THR  44           H        THR  44  34.587  -6.621  -4.279
  322    HA   THR  44           HA       THR  44  34.934  -7.947  -6.888
  323    HB   THR  44           HB       THR  44  32.499  -6.812  -5.474
  324    HG1  THR  44           HG1      THR  44  33.094  -8.302  -4.182
  325   HG21  THR  44          3HG2      THR  44  32.000  -7.251  -7.841
  326   HG22  THR  44          1HG2      THR  44  31.164  -8.404  -6.774
  327   HG23  THR  44          2HG2      THR  44  32.618  -8.911  -7.667
  328    H    GLU  45           H        GLU  45  33.840  -6.891  -8.913
  329    HA   GLU  45           HA       GLU  45  35.010  -4.368  -9.396
  330    HB2  GLU  45           2HB      GLU  45  32.640  -5.675 -10.746
  331    HB3  GLU  45           1HB      GLU  45  33.389  -4.164 -11.308
  332    HG2  GLU  45           2HG      GLU  45  35.578  -5.391 -11.481
  333    HG3  GLU  45           1HG      GLU  45  34.711  -6.893 -11.089
  334    H    ALA  46           H        ALA  46  31.842  -5.231  -8.206
  335    HA   ALA  46           HA       ALA  46  30.659  -2.669  -8.061
  336    HB1  ALA  46           3HB      ALA  46  29.381  -4.723  -7.640
  337    HB2  ALA  46           1HB      ALA  46  29.276  -3.618  -6.248
  338    HB3  ALA  46           2HB      ALA  46  30.347  -5.038  -6.179
  339    H    GLU  47           H        GLU  47  32.865  -4.432  -5.837
  340    HA   GLU  47           HA       GLU  47  32.607  -2.396  -3.826
  341    HB2  GLU  47           2HB      GLU  47  34.915  -4.267  -4.350
  342    HB3  GLU  47           1HB      GLU  47  34.767  -3.197  -2.941
  343    HG2  GLU  47           2HG      GLU  47  32.677  -5.275  -3.609
  344    HG3  GLU  47           1HG      GLU  47  34.111  -5.641  -2.621
  345    H    LEU  48           H        LEU  48  34.460  -2.458  -6.795
  346    HA   LEU  48           HA       LEU  48  36.231  -0.355  -5.768
  347    HB2  LEU  48           2HB      LEU  48  35.602  -1.319  -8.547
  348    HB3  LEU  48           1HB      LEU  48  36.667   0.069  -8.251
  349    HG   LEU  48           HG       LEU  48  38.242  -1.306  -7.085
  350   HD11  LEU  48          1HD1      LEU  48  38.183  -3.744  -7.034
  351   HD12  LEU  48          2HD1      LEU  48  36.517  -3.726  -7.659
  352   HD13  LEU  48          3HD1      LEU  48  36.873  -3.044  -6.054
  353   HD21  LEU  48          3HD2      LEU  48  37.371  -2.510  -9.727
  354   HD22  LEU  48          1HD2      LEU  48  38.969  -2.731  -8.974
  355   HD23  LEU  48          2HD2      LEU  48  38.446  -1.111  -9.494
  356    H    GLN  49           H        GLN  49  33.308  -0.426  -7.672
  357    HA   GLN  49           HA       GLN  49  33.133   2.427  -8.114
  358    HB2  GLN  49           2HB      GLN  49  32.000   0.653  -9.463
  359    HB3  GLN  49           1HB      GLN  49  30.918   0.364  -8.085
  360    HG2  GLN  49           2HG      GLN  49  29.546   1.820  -9.124
  361    HG3  GLN  49           1HG      GLN  49  30.623   3.071  -8.459
  362   HE21  GLN  49          1HE2      GLN  49  32.473   3.730  -9.747
  363   HE22  GLN  49          2HE2      GLN  49  32.284   3.878 -11.449
  364    H    ASP  50           H        ASP  50  31.720   0.209  -5.797
  365    HA   ASP  50           HA       ASP  50  30.133   2.129  -4.488
  366    HB2  ASP  50           2HB      ASP  50  30.959  -0.697  -3.740
  367    HB3  ASP  50           1HB      ASP  50  29.782   0.272  -2.827
  368    H    MET  51           H        MET  51  33.225   0.564  -3.734
  369    HA   MET  51           HA       MET  51  33.487   1.788  -1.154
  370    HB2  MET  51           2HB      MET  51  35.558   0.856  -3.096
  371    HB3  MET  51           1HB      MET  51  36.024   1.804  -1.670
  372    HG2  MET  51           2HG      MET  51  36.101  -0.798  -1.614
  373    HG3  MET  51           1HG      MET  51  35.531   0.123  -0.205
  374    HE1  MET  51           3HE      MET  51  34.368  -1.513   0.995
  375    HE2  MET  51           1HE      MET  51  32.603  -1.530   0.760
  376    HE3  MET  51           2HE      MET  51  33.476   0.019   0.846
  377    H    ILE  52           H        ILE  52  34.378   2.943  -4.407
  378    HA   ILE  52           HA       ILE  52  35.393   5.443  -3.357
  379    HB   ILE  52           HB       ILE  52  34.415   4.610  -6.093
  380   HG12  ILE  52          2HG1      ILE  52  36.973   5.000  -4.573
  381   HG13  ILE  52          1HG1      ILE  52  36.491   3.687  -5.667
  382   HG21  ILE  52          1HG2      ILE  52  35.204   6.797  -6.930
  383   HG22  ILE  52          2HG2      ILE  52  35.512   7.333  -5.260
  384   HG23  ILE  52          3HG2      ILE  52  33.846   7.007  -5.797
  385   HD11  ILE  52          3HD1      ILE  52  36.858   5.158  -7.608
  386   HD12  ILE  52          1HD1      ILE  52  38.330   5.003  -6.618
  387   HD13  ILE  52          2HD1      ILE  52  37.339   6.479  -6.516
  388    H    ASN  53           H        ASN  53  32.297   4.426  -4.702
  389    HA   ASN  53           HA       ASN  53  30.941   6.853  -4.472
  390    HB2  ASN  53           2HB      ASN  53  30.138   4.638  -5.486
  391    HB3  ASN  53           1HB      ASN  53  29.524   4.262  -3.860
  392   HD21  ASN  53          1HD2      ASN  53  29.694   7.183  -5.896
  393   HD22  ASN  53          2HD2      ASN  53  27.959   7.463  -5.910
  394    H    GLU  54           H        GLU  54  31.602   4.651  -1.944
  395    HA   GLU  54           HA       GLU  54  29.629   5.814  -0.135
  396    HB2  GLU  54           2HB      GLU  54  30.448   4.345   1.608
  397    HB3  GLU  54           1HB      GLU  54  30.142   3.441   0.109
  398    HG2  GLU  54           2HG      GLU  54  32.432   3.124  -0.316
  399    HG3  GLU  54           1HG      GLU  54  32.910   4.416   0.805
  400    H    VAL  55           H        VAL  55  32.929   6.376  -0.943
  401    HA   VAL  55           HA       VAL  55  32.958   8.257   1.352
  402    HB   VAL  55           HB       VAL  55  35.416   8.088   1.434
  403   HG11  VAL  55          1HG1      VAL  55  35.401   5.951   2.674
  404   HG12  VAL  55          2HG1      VAL  55  33.817   5.568   1.957
  405   HG13  VAL  55          3HG1      VAL  55  33.989   6.973   3.038
  406   HG21  VAL  55          3HG2      VAL  55  35.077   5.687  -0.380
  407   HG22  VAL  55          1HG2      VAL  55  36.555   6.121   0.512
  408   HG23  VAL  55          2HG2      VAL  55  35.937   7.197  -0.765
  409    H    ASP  56           H        ASP  56  32.298   8.423  -1.713
  410    HA   ASP  56           HA       ASP  56  34.224  10.515  -2.379
  411    HB2  ASP  56           2HB      ASP  56  33.326   8.859  -4.053
  412    HB3  ASP  56           1HB      ASP  56  31.745   9.661  -3.904
  413    H    ALA  57           H        ALA  57  34.025  12.570  -2.069
  414    HA   ALA  57           HA       ALA  57  31.504  13.220  -0.586
  415    HB1  ALA  57           3HB      ALA  57  33.521  13.790   0.647
  416    HB2  ALA  57           1HB      ALA  57  32.617  15.265   0.232
  417    HB3  ALA  57           2HB      ALA  57  34.075  14.827  -0.690
  418    H    ASP  58           H        ASP  58  33.249  13.979  -3.492
  419    HA   ASP  58           HA       ASP  58  31.489  16.251  -4.047
  420    HB2  ASP  58           2HB      ASP  58  32.962  16.485  -6.076
  421    HB3  ASP  58           1HB      ASP  58  33.781  16.656  -4.507
  422    H    GLY  59           H        GLY  59  31.723  12.874  -4.831
  423    HA2  GLY  59           2HA      GLY  59  29.876  11.719  -5.868
  424    HA3  GLY  59           1HA      GLY  59  29.181  13.288  -6.330
  425    H    ASN  60           H        ASN  60  32.573  12.885  -6.914
  426    HA   ASN  60           HA       ASN  60  31.971  13.281  -9.756
  427    HB2  ASN  60           2HB      ASN  60  34.305  13.789 -10.088
  428    HB3  ASN  60           1HB      ASN  60  33.650  14.724  -8.724
  429   HD21  ASN  60          1HD2      ASN  60  36.402  14.692  -8.649
  430   HD22  ASN  60          2HD2      ASN  60  36.749  13.464  -7.491
  431    H    GLY  61           H        GLY  61  33.329  10.779  -7.709
  432    HA2  GLY  61           2HA      GLY  61  33.194   8.446  -8.364
  433    HA3  GLY  61           1HA      GLY  61  33.229   8.961 -10.064
  434    H    THR  62           H        THR  62  35.363  10.148  -7.407
  435    HA   THR  62           HA       THR  62  37.536   8.485  -8.124
  436    HB   THR  62           HB       THR  62  39.000  10.613  -8.482
  437    HG1  THR  62           HG1      THR  62  37.989  12.381  -8.896
  438   HG21  THR  62          3HG2      THR  62  38.793   8.877 -10.207
  439   HG22  THR  62          1HG2      THR  62  38.794  10.502 -10.935
  440   HG23  THR  62          2HG2      THR  62  37.267   9.603 -10.766
  441    H    ILE  63           H        ILE  63  39.311   8.952  -6.668
  442    HA   ILE  63           HA       ILE  63  38.287  10.452  -4.267
  443    HB   ILE  63           HB       ILE  63  39.773   7.817  -4.200
  444   HG12  ILE  63          2HG1      ILE  63  37.319   7.759  -4.749
  445   HG13  ILE  63          1HG1      ILE  63  37.831   6.822  -3.328
  446   HG21  ILE  63          1HG2      ILE  63  39.469   7.855  -1.746
  447   HG22  ILE  63          2HG2      ILE  63  38.814   9.506  -1.858
  448   HG23  ILE  63          3HG2      ILE  63  40.507   9.188  -2.307
  449   HD11  ILE  63          3HD1      ILE  63  37.007   8.611  -1.845
  450   HD12  ILE  63          1HD1      ILE  63  35.715   7.996  -2.903
  451   HD13  ILE  63          2HD1      ILE  63  36.495   9.554  -3.266
  452    H    ASP  64           H        ASP  64  39.462  11.902  -3.409
  453    HA   ASP  64           HA       ASP  64  42.358  11.812  -4.132
  454    HB2  ASP  64           2HB      ASP  64  42.436  14.223  -3.835
  455    HB3  ASP  64           1HB      ASP  64  41.128  13.758  -4.946
  456    H    PHE  65           H        PHE  65  43.726  13.169  -2.607
  457    HA   PHE  65           HA       PHE  65  43.903  11.561  -0.216
  458    HB2  PHE  65           2HB      PHE  65  45.975  12.357  -0.791
  459    HB3  PHE  65           1HB      PHE  65  45.414  14.037  -0.954
  460    HD1  PHE  65           HD1      PHE  65  45.816  11.302   1.630
  461    HD2  PHE  65           HD2      PHE  65  45.799  15.555   0.746
  462    HE1  PHE  65           HE1      PHE  65  46.389  11.803   4.018
  463    HE2  PHE  65           HE2      PHE  65  46.371  16.056   3.134
  464    HZ   PHE  65           HZ       PHE  65  46.629  14.174   4.755
  465    HA   PRO  66           HA       PRO  66  41.979  15.206   2.365
  466    HB2  PRO  66           2HB      PRO  66  40.082  16.212   0.310
  467    HB3  PRO  66           1HB      PRO  66  40.951  17.083   1.598
  468    HG2  PRO  66           1HG      PRO  66  41.641  17.142  -1.105
  469    HG3  PRO  66           2HG      PRO  66  42.752  17.527   0.234
  470    HD2  PRO  66           1HD      PRO  66  42.690  15.148  -1.507
  471    HD3  PRO  66           2HD      PRO  66  43.978  15.709  -0.411
  472    H    GLU  67           H        GLU  67  40.121  13.555  -0.239
  473    HA   GLU  67           HA       GLU  67  37.898  12.943   1.457
  474    HB2  GLU  67           2HB      GLU  67  38.789  11.794  -1.192
  475    HB3  GLU  67           1HB      GLU  67  37.253  11.424  -0.380
  476    HG2  GLU  67           2HG      GLU  67  36.586  13.792  -0.559
  477    HG3  GLU  67           1HG      GLU  67  38.121  14.157  -1.383
  478    H    PHE  68           H        PHE  68  40.793  11.289   0.456
  479    HA   PHE  68           HA       PHE  68  40.194   8.807   1.683
  480    HB2  PHE  68           2HB      PHE  68  42.071   9.005   0.179
  481    HB3  PHE  68           1HB      PHE  68  42.861  10.195   1.238
  482    HD1  PHE  68           HD2      PHE  68  41.525   6.663   1.298
  483    HD2  PHE  68           HD1      PHE  68  44.486   9.501   2.736
  484    HE1  PHE  68           HE2      PHE  68  42.688   4.825   2.540
  485    HE2  PHE  68           HE1      PHE  68  45.658   7.658   3.963
  486    HZ   PHE  68           HZ       PHE  68  44.757   5.333   3.840
  487    H    LEU  69           H        LEU  69  41.576  11.754   2.952
  488    HA   LEU  69           HA       LEU  69  42.336  10.625   5.509
  489    HB2  LEU  69           2HB      LEU  69  43.447  12.628   4.649
  490    HB3  LEU  69           1HB      LEU  69  41.923  13.534   4.778
  491    HG   LEU  69           HG       LEU  69  42.385  12.337   7.287
  492   HD11  LEU  69          1HD1      LEU  69  44.542  13.278   7.990
  493   HD12  LEU  69          2HD1      LEU  69  44.891  13.694   6.295
  494   HD13  LEU  69          3HD1      LEU  69  44.699  11.990   6.773
  495   HD21  LEU  69          3HD2      LEU  69  42.617  15.228   6.447
  496   HD22  LEU  69          1HD2      LEU  69  42.513  14.644   8.125
  497   HD23  LEU  69          2HD2      LEU  69  41.156  14.377   7.004
  498    H    THR  70           H        THR  70  39.512  12.454   4.378
  499    HA   THR  70           HA       THR  70  38.252  12.675   6.901
  500    HB   THR  70           HB       THR  70  36.143  12.825   5.612
  501    HG1  THR  70           HG1      THR  70  36.503  12.759   3.246
  502   HG21  THR  70          3HG2      THR  70  37.511  14.834   5.888
  503   HG22  THR  70          1HG2      THR  70  36.715  14.823   4.297
  504   HG23  THR  70          2HG2      THR  70  38.443  14.417   4.430
  505    H    MET  71           H        MET  71  38.099  10.141   4.457
  506    HA   MET  71           HA       MET  71  36.370   8.414   5.917
  507    HB2  MET  71           2HB      MET  71  37.078   7.985   3.567
  508    HB3  MET  71           1HB      MET  71  38.679   7.499   4.172
  509    HG2  MET  71           2HG      MET  71  37.335   5.847   5.683
  510    HG3  MET  71           1HG      MET  71  36.008   6.138   4.537
  511    HE1  MET  71           3HE      MET  71  39.867   5.648   4.441
  512    HE2  MET  71           1HE      MET  71  39.948   3.962   3.878
  513    HE3  MET  71           2HE      MET  71  39.147   4.348   5.420
  514    H    MET  72           H        MET  72  39.862   8.735   5.932
  515    HA   MET  72           HA       MET  72  40.440   6.723   7.857
  516    HB2  MET  72           2HB      MET  72  41.841   9.274   7.089
  517    HB3  MET  72           1HB      MET  72  42.465   8.205   8.364
  518    HG2  MET  72           2HG      MET  72  41.813   7.074   5.660
  519    HG3  MET  72           1HG      MET  72  43.324   7.978   5.903
  520    HE1  MET  72           3HE      MET  72  41.306   4.766   6.548
  521    HE2  MET  72           1HE      MET  72  42.702   3.664   6.605
  522    HE3  MET  72           2HE      MET  72  42.471   4.736   5.204
  523    H    ALA  73           H        ALA  73  39.271   9.991   8.248
  524    HA   ALA  73           HA       ALA  73  39.733  10.117  11.096
  525    HB1  ALA  73           3HB      ALA  73  39.249  12.147   9.800
  526    HB2  ALA  73           1HB      ALA  73  38.039  11.930  11.088
  527    HB3  ALA  73           2HB      ALA  73  37.629  11.526   9.404
  528    H    ARG  74           H        ARG  74  37.228   8.887   9.093
  529    HA   ARG  74           HA       ARG  74  35.370   8.293  11.262
  530    HB2  ARG  74           2HB      ARG  74  35.673   7.006   8.531
  531    HB3  ARG  74           1HB      ARG  74  34.328   6.704   9.654
  532    HG2  ARG  74           2HG      ARG  74  34.941   9.541   8.970
  533    HG3  ARG  74           1HG      ARG  74  34.196   8.531   7.709
  534    HD2  ARG  74           2HD      ARG  74  33.103   8.966  10.516
  535    HD3  ARG  74           1HD      ARG  74  32.491   9.726   9.029
  536    HE   ARG  74           HE       ARG  74  31.954   7.084  10.005
  537   HH11  ARG  74          1HH2      ARG  74  32.415   8.983   6.995
  538   HH12  ARG  74          2HH2      ARG  74  31.519   7.959   5.989
  539   HH21  ARG  74          1HH1      ARG  74  30.614   5.729   8.642
  540   HH22  ARG  74          2HH1      ARG  74  30.492   5.990   6.936
  541    H    LYS  75           H        LYS  75  37.766   6.456   9.534
  542    HA   LYS  75           HA       LYS  75  37.344   4.009  11.144
  543    HB2  LYS  75           2HB      LYS  75  38.354   4.185   8.766
  544    HB3  LYS  75           1HB      LYS  75  39.828   4.746   9.583
  545    HG2  LYS  75           2HG      LYS  75  39.574   2.535  10.967
  546    HG3  LYS  75           1HG      LYS  75  38.553   2.026   9.603
  547    HD2  LYS  75           2HD      LYS  75  40.790   3.144   8.372
  548    HD3  LYS  75           1HD      LYS  75  41.465   2.289   9.777
  549    HE2  LYS  75           2HE      LYS  75  39.568   0.531   8.611
  550    HE3  LYS  75           1HE      LYS  75  40.534   1.203   7.274
  551    HZ1  LYS  75           3HZ      LYS  75  42.533   0.709   8.622
  552    HZ2  LYS  75           1HZ      LYS  75  41.659  -0.686   8.205
  553    HZ3  LYS  75           2HZ      LYS  75  41.556  -0.048   9.760
  554    H    MET  76           H        MET  76  38.602   3.369  12.838
  555    HA   MET  76           HA       MET  76  39.645   3.652  14.805
  556    HB2  MET  76           2HB      MET  76  41.828   4.836  14.980
  557    HB3  MET  76           1HB      MET  76  41.693   3.403  13.948
  558    HG2  MET  76           2HG      MET  76  41.715   6.186  12.797
  559    HG3  MET  76           1HG      MET  76  43.204   5.281  13.157
  560    HE1  MET  76           3HE      MET  76  42.498   6.364  10.335
  561    HE2  MET  76           1HE      MET  76  42.957   4.977   9.318
  562    HE3  MET  76           2HE      MET  76  43.958   5.422  10.721
  563    HC1  HLT 149           H4       HLT 149  38.438   3.382   1.608
  Start of MODEL    4
    1    H1   ALA   1           1H       ALA   1  49.385  15.592  16.873
    2    H2   ALA   1           2H       ALA   1  48.182  16.313  15.881
    3    H3   ALA   1           3H       ALA   1  47.981  16.310  17.572
    4    HA   ALA   1           HA       ALA   1  47.911  13.979  15.797
    5    HB1  ALA   1           3HB      ALA   1  48.913  13.476  18.021
    6    HB2  ALA   1           1HB      ALA   1  47.282  12.780  17.868
    7    HB3  ALA   1           2HB      ALA   1  47.531  14.268  18.813
    8    H    ASP   2           H        ASP   2  46.465  15.075  14.528
    9    HA   ASP   2           HA       ASP   2  44.015  16.018  15.855
   10    HB2  ASP   2           2HB      ASP   2  44.848  15.911  12.930
   11    HB3  ASP   2           1HB      ASP   2  43.271  16.508  13.500
   12    H    GLN   3           H        GLN   3  44.753  13.914  13.107
   13    HA   GLN   3           HA       GLN   3  42.416  12.233  13.731
   14    HB2  GLN   3           2HB      GLN   3  44.588  11.893  11.649
   15    HB3  GLN   3           1HB      GLN   3  43.239  10.766  11.899
   16    HG2  GLN   3           2HG      GLN   3  42.663  12.118  10.027
   17    HG3  GLN   3           1HG      GLN   3  41.671  12.691  11.388
   18   HE21  GLN   3          1HE2      GLN   3  41.430  14.696  10.099
   19   HE22  GLN   3          2HE2      GLN   3  42.735  15.847  10.343
   20    H    LEU   4           H        LEU   4  45.944  11.885  13.478
   21    HA   LEU   4           HA       LEU   4  45.935  10.261  15.911
   22    HB2  LEU   4           2HB      LEU   4  46.195   9.113  13.225
   23    HB3  LEU   4           1HB      LEU   4  47.577   8.763  14.280
   24    HG   LEU   4           HG       LEU   4  46.280   6.946  14.563
   25   HD11  LEU   4          1HD1      LEU   4  45.288   7.007  16.811
   26   HD12  LEU   4          2HD1      LEU   4  45.417   8.782  16.792
   27   HD13  LEU   4          3HD1      LEU   4  46.887   7.782  16.713
   28   HD21  LEU   4          3HD2      LEU   4  43.762   8.603  14.564
   29   HD22  LEU   4          1HD2      LEU   4  43.846   6.845  14.833
   30   HD23  LEU   4          2HD2      LEU   4  44.357   7.532  13.272
   31    H    THR   5           H        THR   5  48.540   9.391  15.894
   32    HA   THR   5           HA       THR   5  49.920  11.876  16.264
   33    HB   THR   5           HB       THR   5  51.831  10.660  16.832
   34    HG1  THR   5           HG1      THR   5  52.293   8.600  16.173
   35   HG21  THR   5          3HG2      THR   5  50.022  10.297  18.432
   36   HG22  THR   5          1HG2      THR   5  51.052   8.849  18.327
   37   HG23  THR   5          2HG2      THR   5  49.468   8.875  17.516
   38    H    GLU   6           H        GLU   6  51.823  12.639  15.115
   39    HA   GLU   6           HA       GLU   6  51.430  13.024  12.412
   40    HB2  GLU   6           2HB      GLU   6  52.988  14.301  13.821
   41    HB3  GLU   6           1HB      GLU   6  54.104  12.919  13.818
   42    HG2  GLU   6           2HG      GLU   6  54.094  13.117  11.254
   43    HG3  GLU   6           1HG      GLU   6  53.311  14.697  11.493
   44    H    GLU   7           H        GLU   7  52.862  10.235  13.956
   45    HA   GLU   7           HA       GLU   7  54.173   9.093  11.702
   46    HB2  GLU   7           2HB      GLU   7  52.679   7.775  13.991
   47    HB3  GLU   7           1HB      GLU   7  53.752   6.938  12.848
   48    HG2  GLU   7           2HG      GLU   7  55.684   8.019  13.685
   49    HG3  GLU   7           1HG      GLU   7  54.731   9.275  14.507
   50    H    GLN   8           H        GLN   8  50.948   8.449  12.979
   51    HA   GLN   8           HA       GLN   8  50.172   6.855  10.786
   52    HB2  GLN   8           2HB      GLN   8  48.987   7.059  12.964
   53    HB3  GLN   8           1HB      GLN   8  48.263   8.563  12.360
   54    HG2  GLN   8           2HG      GLN   8  46.601   6.996  11.939
   55    HG3  GLN   8           1HG      GLN   8  47.443   7.088  10.374
   56   HE21  GLN   8          1HE2      GLN   8  49.090   5.455   9.880
   57   HE22  GLN   8          2HE2      GLN   8  48.968   3.900  10.581
   58    H    ILE   9           H        ILE   9  49.583  10.256  11.241
   59    HA   ILE   9           HA       ILE   9  48.193  10.806   8.806
   60    HB   ILE   9           HB       ILE   9  50.127  12.567  10.337
   61   HG12  ILE   9          2HG1      ILE   9  47.101  12.328  10.342
   62   HG13  ILE   9          1HG1      ILE   9  48.213  11.893  11.658
   63   HG21  ILE   9          1HG2      ILE   9  49.065  14.473   9.168
   64   HG22  ILE   9          2HG2      ILE   9  48.135  13.334   8.165
   65   HG23  ILE   9          3HG2      ILE   9  49.910  13.393   8.033
   66   HD11  ILE   9          3HD1      ILE   9  48.859  14.265  11.905
   67   HD12  ILE   9          1HD1      ILE   9  47.104  14.046  12.109
   68   HD13  ILE   9          2HD1      ILE   9  47.748  14.705  10.585
   69    H    ALA  10           H        ALA  10  51.651  10.762   9.462
   70    HA   ALA  10           HA       ALA  10  52.559  11.463   6.865
   71    HB1  ALA  10           3HB      ALA  10  54.095  11.397   8.771
   72    HB2  ALA  10           1HB      ALA  10  54.678  10.345   7.459
   73    HB3  ALA  10           2HB      ALA  10  53.895   9.633   8.891
   74    H    GLU  11           H        GLU  11  52.136   8.186   8.331
   75    HA   GLU  11           HA       GLU  11  52.548   6.846   5.908
   76    HB2  GLU  11           2HB      GLU  11  50.807   6.046   8.232
   77    HB3  GLU  11           1HB      GLU  11  51.091   5.014   6.815
   78    HG2  GLU  11           2HG      GLU  11  52.737   4.175   8.139
   79    HG3  GLU  11           1HG      GLU  11  53.650   5.551   7.479
   80    H    PHE  12           H        PHE  12  49.661   8.491   7.027
   81    HA   PHE  12           HA       PHE  12  47.982   7.365   4.968
   82    HB2  PHE  12           2HB      PHE  12  47.754   9.965   6.484
   83    HB3  PHE  12           1HB      PHE  12  46.579   9.451   5.254
   84    HD1  PHE  12           HD1      PHE  12  47.688   6.443   6.715
   85    HD2  PHE  12           HD2      PHE  12  45.320   9.972   7.598
   86    HE1  PHE  12           HE1      PHE  12  46.367   5.133   8.393
   87    HE2  PHE  12           HE2      PHE  12  44.003   8.666   9.280
   88    HZ   PHE  12           HZ       PHE  12  44.496   6.241   9.616
   89    H    LYS  13           H        LYS  13  50.353   9.894   5.022
   90    HA   LYS  13           HA       LYS  13  49.674  10.828   2.343
   91    HB2  LYS  13           2HB      LYS  13  50.947  12.229   3.908
   92    HB3  LYS  13           1HB      LYS  13  52.298  11.082   3.809
   93    HG2  LYS  13           2HG      LYS  13  51.305  12.291   1.268
   94    HG3  LYS  13           1HG      LYS  13  52.211  13.326   2.392
   95    HD2  LYS  13           2HD      LYS  13  53.248  10.697   1.290
   96    HD3  LYS  13           1HD      LYS  13  53.590  12.289   0.578
   97    HE2  LYS  13           2HE      LYS  13  54.673  12.998   2.685
   98    HE3  LYS  13           1HE      LYS  13  54.339  11.399   3.391
   99    HZ1  LYS  13           3HZ      LYS  13  56.565  11.528   2.549
  100    HZ2  LYS  13           1HZ      LYS  13  56.022  11.932   0.997
  101    HZ3  LYS  13           2HZ      LYS  13  55.675  10.397   1.680
  102    H    GLU  14           H        GLU  14  51.959   8.380   3.694
  103    HA   GLU  14           HA       GLU  14  52.910   7.645   1.106
  104    HB2  GLU  14           2HB      GLU  14  52.577   5.948   3.588
  105    HB3  GLU  14           1HB      GLU  14  53.535   5.507   2.158
  106    HG2  GLU  14           2HG      GLU  14  54.318   8.137   3.083
  107    HG3  GLU  14           1HG      GLU  14  54.395   6.970   4.425
  108    H    ALA  15           H        ALA  15  50.103   6.715   2.837
  109    HA   ALA  15           HA       ALA  15  49.303   4.517   1.145
  110    HB1  ALA  15           3HB      ALA  15  48.361   4.747   3.387
  111    HB2  ALA  15           1HB      ALA  15  47.065   4.750   2.167
  112    HB3  ALA  15           2HB      ALA  15  47.579   6.277   2.923
  113    H    PHE  16           H        PHE  16  48.653   8.015   1.157
  114    HA   PHE  16           HA       PHE  16  46.794   8.081  -0.892
  115    HB2  PHE  16           2HB      PHE  16  47.523  10.019   0.480
  116    HB3  PHE  16           1HB      PHE  16  49.042  10.069  -0.445
  117    HD1  PHE  16           HD2      PHE  16  45.465   9.451  -1.471
  118    HD2  PHE  16           HD1      PHE  16  48.982  11.978  -1.796
  119    HE1  PHE  16           HE2      PHE  16  44.403  10.682  -3.378
  120    HE2  PHE  16           HE1      PHE  16  47.901  13.237  -3.678
  121    HZ   PHE  16           HZ       PHE  16  45.651  12.527  -4.498
  122    H    SER  17           H        SER  17  50.302   8.190  -1.160
  123    HA   SER  17           HA       SER  17  50.483   8.119  -3.985
  124    HB2  SER  17           2HB      SER  17  52.362   8.500  -2.411
  125    HB3  SER  17           1HB      SER  17  52.332   6.774  -1.987
  126    HG   SER  17           HG       SER  17  52.513   6.660  -4.496
  127    H    LEU  18           H        LEU  18  49.998   5.503  -1.720
  128    HA   LEU  18           HA       LEU  18  50.503   3.381  -3.549
  129    HB2  LEU  18           2HB      LEU  18  48.774   3.500  -1.086
  130    HB3  LEU  18           1HB      LEU  18  48.959   2.017  -2.047
  131    HG   LEU  18           HG       LEU  18  51.324   3.546  -1.003
  132   HD11  LEU  18          1HD1      LEU  18  51.406   2.018   0.925
  133   HD12  LEU  18          2HD1      LEU  18  49.823   1.356   0.454
  134   HD13  LEU  18          3HD1      LEU  18  49.964   3.061   0.945
  135   HD21  LEU  18          3HD2      LEU  18  50.953   0.661  -1.854
  136   HD22  LEU  18          1HD2      LEU  18  52.457   1.368  -1.216
  137   HD23  LEU  18          2HD2      LEU  18  51.789   1.943  -2.762
  138    H    PHE  19           H        PHE  19  47.619   5.432  -3.252
  139    HA   PHE  19           HA       PHE  19  46.118   3.451  -4.802
  140    HB2  PHE  19           2HB      PHE  19  45.446   6.345  -4.257
  141    HB3  PHE  19           1HB      PHE  19  44.375   5.085  -4.907
  142    HD1  PHE  19           HD1      PHE  19  43.590   3.209  -3.460
  143    HD2  PHE  19           HD2      PHE  19  45.815   6.620  -1.958
  144    HE1  PHE  19           HE1      PHE  19  42.949   2.597  -1.112
  145    HE2  PHE  19           HE2      PHE  19  45.210   5.983   0.385
  146    HZ   PHE  19           HZ       PHE  19  43.842   3.935   0.792
  147    H    ASP  20           H        ASP  20  47.246   6.849  -5.195
  148    HA   ASP  20           HA       ASP  20  46.915   6.606  -8.040
  149    HB2  ASP  20           2HB      ASP  20  46.446   8.664  -6.627
  150    HB3  ASP  20           1HB      ASP  20  48.207   8.885  -6.523
  151    H    LYS  21           H        LYS  21  48.182   5.042  -8.515
  152    HA   LYS  21           HA       LYS  21  51.043   4.964  -7.807
  153    HB2  LYS  21           2HB      LYS  21  51.282   2.936  -8.808
  154    HB3  LYS  21           1HB      LYS  21  49.562   2.954  -8.382
  155    HG2  LYS  21           2HG      LYS  21  50.829   3.060 -11.114
  156    HG3  LYS  21           1HG      LYS  21  49.636   1.912 -10.467
  157    HD2  LYS  21           2HD      LYS  21  48.552   4.533 -10.289
  158    HD3  LYS  21           1HD      LYS  21  49.228   4.325 -11.914
  159    HE2  LYS  21           2HE      LYS  21  47.333   2.277 -10.858
  160    HE3  LYS  21           1HE      LYS  21  46.723   3.838 -11.465
  161    HZ1  LYS  21           3HZ      LYS  21  48.156   3.523 -13.338
  162    HZ2  LYS  21           1HZ      LYS  21  46.838   2.447 -13.227
  163    HZ3  LYS  21           2HZ      LYS  21  48.445   1.907 -12.764
  164    H    ASP  22           H        ASP  22  49.277   6.593 -10.203
  165    HA   ASP  22           HA       ASP  22  51.595   6.878 -11.970
  166    HB2  ASP  22           2HB      ASP  22  49.799   7.805 -13.512
  167    HB3  ASP  22           1HB      ASP  22  49.643   6.083 -13.088
  168    H    GLY  23           H        GLY  23  49.433   8.619  -9.810
  169    HA2  GLY  23           2HA      GLY  23  50.118  10.655  -8.729
  170    HA3  GLY  23           1HA      GLY  23  51.427  10.816  -9.919
  171    H    ASP  24           H        ASP  24  47.999  10.122 -10.743
  172    HA   ASP  24           HA       ASP  24  48.015  12.393 -12.559
  173    HB2  ASP  24           2HB      ASP  24  45.802  11.551 -13.346
  174    HB3  ASP  24           1HB      ASP  24  47.139  10.400 -13.567
  175    H    GLY  25           H        GLY  25  47.315  11.933  -9.458
  176    HA2  GLY  25           2HA      GLY  25  46.297  13.356  -7.839
  177    HA3  GLY  25           1HA      GLY  25  45.795  14.432  -9.160
  178    H    THR  26           H        THR  26  45.116  10.962  -9.297
  179    HA   THR  26           HA       THR  26  42.419  11.303  -8.363
  180    HB   THR  26           HB       THR  26  41.357  10.508 -10.404
  181    HG1  THR  26           HG1      THR  26  43.656   9.974 -11.333
  182   HG21  THR  26          3HG2      THR  26  41.187  12.878  -9.995
  183   HG22  THR  26          1HG2      THR  26  41.325  12.566 -11.742
  184   HG23  THR  26          2HG2      THR  26  42.732  13.167 -10.831
  185    H    ILE  27           H        ILE  27  42.021   9.758  -7.290
  186    HA   ILE  27           HA       ILE  27  43.326   7.120  -7.733
  187    HB   ILE  27           HB       ILE  27  41.321   7.995  -5.639
  188   HG12  ILE  27          2HG1      ILE  27  44.269   7.408  -5.312
  189   HG13  ILE  27          1HG1      ILE  27  43.600   9.035  -5.572
  190   HG21  ILE  27          1HG2      ILE  27  41.850   5.893  -4.458
  191   HG22  ILE  27          2HG2      ILE  27  42.834   5.369  -5.846
  192   HG23  ILE  27          3HG2      ILE  27  41.080   5.600  -6.037
  193   HD11  ILE  27          3HD1      ILE  27  42.257   8.816  -3.507
  194   HD12  ILE  27          1HD1      ILE  27  43.993   8.609  -3.173
  195   HD13  ILE  27          2HD1      ILE  27  42.924   7.187  -3.245
  196    H    THR  28           H        THR  28  42.571   5.972  -9.208
  197    HA   THR  28           HA       THR  28  39.722   5.961  -9.910
  198    HB   THR  28           HB       THR  28  40.121   4.554 -11.678
  199    HG1  THR  28           HG1      THR  28  42.553   3.691 -11.474
  200   HG21  THR  28          3HG2      THR  28  41.198   6.671 -12.050
  201   HG22  THR  28          1HG2      THR  28  42.134   5.376 -12.833
  202   HG23  THR  28          2HG2      THR  28  42.701   6.082 -11.301
  203    H    THR  29           H        THR  29  38.379   4.168 -10.086
  204    HA   THR  29           HA       THR  29  37.991   2.922  -7.594
  205    HB   THR  29           HB       THR  29  36.279   1.608  -8.592
  206    HG1  THR  29           HG1      THR  29  36.170   1.392 -10.835
  207   HG21  THR  29          3HG2      THR  29  35.802   4.012  -8.655
  208   HG22  THR  29          1HG2      THR  29  35.081   3.190 -10.060
  209   HG23  THR  29          2HG2      THR  29  36.575   4.138 -10.253
  210    H    LYS  30           H        LYS  30  39.423   1.756 -10.398
  211    HA   LYS  30           HA       LYS  30  40.019  -0.943  -9.512
  212    HB2  LYS  30           2HB      LYS  30  40.218  -0.091 -11.902
  213    HB3  LYS  30           1HB      LYS  30  41.807   0.554 -11.431
  214    HG2  LYS  30           2HG      LYS  30  42.183  -1.593 -12.425
  215    HG3  LYS  30           1HG      LYS  30  42.426  -1.775 -10.672
  216    HD2  LYS  30           2HD      LYS  30  39.732  -2.310 -10.961
  217    HD3  LYS  30           1HD      LYS  30  40.420  -2.998 -12.447
  218    HE2  LYS  30           2HE      LYS  30  41.260  -3.663  -9.601
  219    HE3  LYS  30           1HE      LYS  30  40.318  -4.700 -10.699
  220    HZ1  LYS  30           3HZ      LYS  30  42.148  -4.806 -12.180
  221    HZ2  LYS  30           1HZ      LYS  30  42.700  -5.247 -10.640
  222    HZ3  LYS  30           2HZ      LYS  30  43.028  -3.675 -11.243
  223    H    GLU  31           H        GLU  31  41.854   2.089  -9.315
  224    HA   GLU  31           HA       GLU  31  44.222   1.000  -8.197
  225    HB2  GLU  31           2HB      GLU  31  42.997   3.743  -8.024
  226    HB3  GLU  31           1HB      GLU  31  44.533   3.318  -7.237
  227    HG2  GLU  31           2HG      GLU  31  45.457   2.658  -9.447
  228    HG3  GLU  31           1HG      GLU  31  43.932   3.164 -10.214
  229    H    LEU  32           H        LEU  32  41.222   2.283  -6.675
  230    HA   LEU  32           HA       LEU  32  42.062   1.964  -4.013
  231    HB2  LEU  32           2HB      LEU  32  39.777   2.741  -5.145
  232    HB3  LEU  32           1HB      LEU  32  39.328   1.062  -4.779
  233    HG   LEU  32           HG       LEU  32  39.971   3.318  -2.924
  234   HD11  LEU  32          1HD1      LEU  32  37.874   2.543  -1.875
  235   HD12  LEU  32          2HD1      LEU  32  37.755   1.271  -3.115
  236   HD13  LEU  32          3HD1      LEU  32  37.682   2.985  -3.589
  237   HD21  LEU  32          3HD2      LEU  32  39.932   0.428  -2.027
  238   HD22  LEU  32          1HD2      LEU  32  39.919   1.860  -0.971
  239   HD23  LEU  32          2HD2      LEU  32  41.336   1.523  -1.995
  240    H    GLY  33           H        GLY  33  40.565  -0.259  -6.251
  241    HA2  GLY  33           2HA      GLY  33  40.513  -2.592  -4.635
  242    HA3  GLY  33           1HA      GLY  33  40.791  -2.627  -6.390
  243    H    THR  34           H        THR  34  43.266  -1.219  -6.435
  244    HA   THR  34           HA       THR  34  45.068  -3.369  -5.909
  245    HB   THR  34           HB       THR  34  45.620  -0.431  -6.284
  246    HG1  THR  34           HG1      THR  34  46.040  -1.064  -8.323
  247   HG21  THR  34          3HG2      THR  34  47.559  -1.456  -5.169
  248   HG22  THR  34          1HG2      THR  34  47.926  -1.064  -6.866
  249   HG23  THR  34          2HG2      THR  34  47.588  -2.747  -6.393
  250    H    VAL  35           H        VAL  35  44.400  -0.447  -3.955
  251    HA   VAL  35           HA       VAL  35  46.265  -1.368  -1.978
  252    HB   VAL  35           HB       VAL  35  44.117   0.728  -1.848
  253   HG11  VAL  35          1HG1      VAL  35  45.251   1.630   0.135
  254   HG12  VAL  35          2HG1      VAL  35  46.329   0.214   0.168
  255   HG13  VAL  35          3HG1      VAL  35  44.584   0.010   0.449
  256   HG21  VAL  35          3HG2      VAL  35  47.127   0.783  -2.254
  257   HG22  VAL  35          1HG2      VAL  35  46.081   2.218  -2.137
  258   HG23  VAL  35          2HG2      VAL  35  45.881   1.079  -3.490
  259    H    MET  36           H        MET  36  42.673  -1.253  -1.808
  260    HA   MET  36           HA       MET  36  42.481  -2.672   0.561
  261    HB2  MET  36           2HB      MET  36  40.726  -2.754  -1.875
  262    HB3  MET  36           1HB      MET  36  40.357  -3.730  -0.435
  263    HG2  MET  36           2HG      MET  36  40.619  -0.709  -0.586
  264    HG3  MET  36           1HG      MET  36  39.137  -1.650  -0.301
  265    HE1  MET  36           3HE      MET  36  42.577  -0.474   1.067
  266    HE2  MET  36           1HE      MET  36  42.023  -0.022   2.697
  267    HE3  MET  36           2HE      MET  36  41.246   0.692   1.263
  268    H    ARG  37           H        ARG  37  42.979  -3.993  -2.571
  269    HA   ARG  37           HA       ARG  37  43.048  -6.777  -1.837
  270    HB2  ARG  37           2HB      ARG  37  42.927  -5.798  -4.161
  271    HB3  ARG  37           1HB      ARG  37  44.670  -5.486  -4.026
  272    HG2  ARG  37           2HG      ARG  37  44.515  -7.483  -5.209
  273    HG3  ARG  37           1HG      ARG  37  44.909  -7.977  -3.547
  274    HD2  ARG  37           2HD      ARG  37  42.133  -7.909  -3.548
  275    HD3  ARG  37           1HD      ARG  37  42.528  -8.545  -5.162
  276    HE   ARG  37           HE       ARG  37  42.942  -9.802  -2.587
  277   HH11  ARG  37          1HH2      ARG  37  44.039  -9.488  -5.903
  278   HH12  ARG  37          2HH2      ARG  37  44.817 -11.014  -6.049
  279   HH21  ARG  37          1HH1      ARG  37  43.962 -11.965  -2.708
  280   HH22  ARG  37          2HH1      ARG  37  44.749 -12.483  -4.136
  281    H    SER  38           H        SER  38  45.578  -4.296  -1.963
  282    HA   SER  38           HA       SER  38  47.750  -6.125  -1.635
  283    HB2  SER  38           2HB      SER  38  49.147  -4.163  -1.215
  284    HB3  SER  38           1HB      SER  38  48.075  -3.893  -2.609
  285    HG   SER  38           HG       SER  38  47.950  -2.097  -1.366
  286    H    LEU  39           H        LEU  39  45.756  -4.311   0.543
  287    HA   LEU  39           HA       LEU  39  47.264  -4.927   2.903
  288    HB2  LEU  39           2HB      LEU  39  44.490  -3.949   2.332
  289    HB3  LEU  39           1HB      LEU  39  44.958  -4.408   3.980
  290    HG   LEU  39           HG       LEU  39  46.419  -2.657   4.215
  291   HD11  LEU  39          1HD1      LEU  39  47.195  -1.078   2.519
  292   HD12  LEU  39          2HD1      LEU  39  46.405  -2.048   1.253
  293   HD13  LEU  39          3HD1      LEU  39  47.751  -2.736   2.193
  294   HD21  LEU  39          3HD2      LEU  39  44.112  -1.642   2.539
  295   HD22  LEU  39          1HD2      LEU  39  45.119  -0.639   3.610
  296   HD23  LEU  39          2HD2      LEU  39  44.120  -1.943   4.293
  297    H    GLY  40           H        GLY  40  45.605  -6.978   0.876
  298    HA2  GLY  40           2HA      GLY  40  45.742  -9.318   1.233
  299    HA3  GLY  40           1HA      GLY  40  45.794  -9.029   2.987
  300    H    GLN  41           H        GLN  41  43.649  -8.128   0.300
  301    HA   GLN  41           HA       GLN  41  41.385  -9.460   1.661
  302    HB2  GLN  41           2HB      GLN  41  41.446  -6.489   1.038
  303    HB3  GLN  41           1HB      GLN  41  39.966  -7.407   1.381
  304    HG2  GLN  41           2HG      GLN  41  42.263  -6.891   3.296
  305    HG3  GLN  41           1HG      GLN  41  40.636  -6.173   3.352
  306   HE21  GLN  41          1HE2      GLN  41  39.018  -8.402   2.756
  307   HE22  GLN  41          2HE2      GLN  41  39.274  -9.611   3.960
  308    H    ASN  42           H        ASN  42  39.281  -9.146   0.134
  309    HA   ASN  42           HA       ASN  42  40.286  -8.756  -2.629
  310    HB2  ASN  42           2HB      ASN  42  40.245 -11.230  -2.103
  311    HB3  ASN  42           1HB      ASN  42  38.477 -11.094  -1.953
  312   HD21  ASN  42          1HD2      ASN  42  41.208 -10.466  -4.090
  313   HD22  ASN  42          2HD2      ASN  42  40.309 -10.769  -5.579
  314    HA   PRO  43           HA       PRO  43  36.424  -6.625  -2.557
  315    HB2  PRO  43           2HB      PRO  43  37.245  -4.453  -3.936
  316    HB3  PRO  43           1HB      PRO  43  37.759  -4.703  -2.249
  317    HG2  PRO  43           1HG      PRO  43  39.315  -5.217  -4.811
  318    HG3  PRO  43           2HG      PRO  43  39.868  -4.454  -3.296
  319    HD2  PRO  43           1HD      PRO  43  40.229  -7.156  -3.924
  320    HD3  PRO  43           2HD      PRO  43  40.235  -6.494  -2.269
  321    H    THR  44           H        THR  44  34.818  -6.859  -3.904
  322    HA   THR  44           HA       THR  44  35.194  -8.166  -6.486
  323    HB   THR  44           HB       THR  44  32.713  -6.885  -5.298
  324    HG1  THR  44           HG1      THR  44  32.864  -8.330  -3.850
  325   HG21  THR  44          3HG2      THR  44  32.398  -7.613  -7.631
  326   HG22  THR  44          1HG2      THR  44  31.465  -8.624  -6.502
  327   HG23  THR  44          2HG2      THR  44  32.980  -9.240  -7.204
  328    H    GLU  45           H        GLU  45  34.244  -7.214  -8.558
  329    HA   GLU  45           HA       GLU  45  35.378  -4.720  -9.177
  330    HB2  GLU  45           2HB      GLU  45  33.030  -6.142 -10.446
  331    HB3  GLU  45           1HB      GLU  45  33.764  -4.664 -11.106
  332    HG2  GLU  45           2HG      GLU  45  35.958  -5.834 -11.222
  333    HG3  GLU  45           1HG      GLU  45  35.177  -7.317 -10.629
  334    H    ALA  46           H        ALA  46  32.172  -5.523  -8.042
  335    HA   ALA  46           HA       ALA  46  31.006  -2.941  -8.017
  336    HB1  ALA  46           3HB      ALA  46  29.695  -4.974  -7.596
  337    HB2  ALA  46           1HB      ALA  46  29.540  -3.834  -6.238
  338    HB3  ALA  46           2HB      ALA  46  30.597  -5.258  -6.088
  339    H    GLU  47           H        GLU  47  33.106  -4.650  -5.654
  340    HA   GLU  47           HA       GLU  47  32.748  -2.574  -3.691
  341    HB2  GLU  47           2HB      GLU  47  35.137  -4.381  -4.064
  342    HB3  GLU  47           1HB      GLU  47  34.840  -3.326  -2.666
  343    HG2  GLU  47           2HG      GLU  47  32.939  -5.523  -3.508
  344    HG3  GLU  47           1HG      GLU  47  34.274  -5.771  -2.359
  345    H    LEU  48           H        LEU  48  34.835  -2.778  -6.523
  346    HA   LEU  48           HA       LEU  48  36.575  -0.671  -5.520
  347    HB2  LEU  48           2HB      LEU  48  35.967  -1.708  -8.271
  348    HB3  LEU  48           1HB      LEU  48  37.025  -0.305  -8.031
  349    HG   LEU  48           HG       LEU  48  38.735  -1.522  -7.252
  350   HD11  LEU  48          1HD1      LEU  48  38.709  -3.714  -6.185
  351   HD12  LEU  48          2HD1      LEU  48  36.933  -3.753  -6.304
  352   HD13  LEU  48          3HD1      LEU  48  37.731  -2.528  -5.289
  353   HD21  LEU  48          3HD2      LEU  48  37.199  -3.550  -8.890
  354   HD22  LEU  48          1HD2      LEU  48  38.943  -3.618  -8.541
  355   HD23  LEU  48          2HD2      LEU  48  38.279  -2.273  -9.500
  356    H    GLN  49           H        GLN  49  33.715  -0.679  -7.498
  357    HA   GLN  49           HA       GLN  49  33.704   2.191  -7.961
  358    HB2  GLN  49           2HB      GLN  49  32.658   0.565  -9.477
  359    HB3  GLN  49           1HB      GLN  49  31.496   0.135  -8.207
  360    HG2  GLN  49           2HG      GLN  49  31.578   3.008  -8.944
  361    HG3  GLN  49           1HG      GLN  49  30.986   1.897 -10.201
  362   HE21  GLN  49          1HE2      GLN  49  30.475   3.228  -6.958
  363   HE22  GLN  49          2HE2      GLN  49  29.023   2.368  -6.616
  364    H    ASP  50           H        ASP  50  31.891  -0.011  -5.843
  365    HA   ASP  50           HA       ASP  50  30.371   2.008  -4.693
  366    HB2  ASP  50           2HB      ASP  50  30.965  -0.791  -3.687
  367    HB3  ASP  50           1HB      ASP  50  29.694   0.283  -3.062
  368    H    MET  51           H        MET  51  33.410   0.520  -3.737
  369    HA   MET  51           HA       MET  51  33.376   1.698  -1.111
  370    HB2  MET  51           2HB      MET  51  35.756   0.840  -2.739
  371    HB3  MET  51           1HB      MET  51  35.861   1.507  -1.101
  372    HG2  MET  51           2HG      MET  51  35.679  -1.169  -1.864
  373    HG3  MET  51           1HG      MET  51  35.656  -0.484  -0.225
  374    HE1  MET  51           3HE      MET  51  34.170  -1.260   1.310
  375    HE2  MET  51           1HE      MET  51  32.417  -0.985   1.166
  376    HE3  MET  51           2HE      MET  51  33.552   0.367   0.938
  377    H    ILE  52           H        ILE  52  34.604   2.809  -4.215
  378    HA   ILE  52           HA       ILE  52  35.691   5.262  -3.107
  379    HB   ILE  52           HB       ILE  52  34.961   4.362  -5.886
  380   HG12  ILE  52          2HG1      ILE  52  37.326   4.961  -4.145
  381   HG13  ILE  52          1HG1      ILE  52  36.993   3.545  -5.161
  382   HG21  ILE  52          1HG2      ILE  52  35.777   6.499  -6.798
  383   HG22  ILE  52          2HG2      ILE  52  35.906   7.167  -5.154
  384   HG23  ILE  52          3HG2      ILE  52  34.309   6.756  -5.825
  385   HD11  ILE  52          3HD1      ILE  52  37.578   4.833  -7.167
  386   HD12  ILE  52          1HD1      ILE  52  38.914   4.800  -5.993
  387   HD13  ILE  52          2HD1      ILE  52  37.908   6.259  -6.155
  388    H    ASN  53           H        ASN  53  32.689   4.464  -4.736
  389    HA   ASN  53           HA       ASN  53  31.605   7.094  -4.535
  390    HB2  ASN  53           2HB      ASN  53  30.845   5.237  -6.042
  391    HB3  ASN  53           1HB      ASN  53  29.956   4.572  -4.655
  392   HD21  ASN  53          1HD2      ASN  53  28.287   4.800  -6.295
  393   HD22  ASN  53          2HD2      ASN  53  27.455   6.357  -6.341
  394    H    GLU  54           H        GLU  54  31.658   4.569  -2.209
  395    HA   GLU  54           HA       GLU  54  29.515   5.688  -0.600
  396    HB2  GLU  54           2HB      GLU  54  30.149   4.251   1.201
  397    HB3  GLU  54           1HB      GLU  54  30.149   3.337  -0.321
  398    HG2  GLU  54           2HG      GLU  54  32.512   3.210  -0.378
  399    HG3  GLU  54           1HG      GLU  54  32.691   4.470   0.862
  400    H    VAL  55           H        VAL  55  32.897   6.284  -0.973
  401    HA   VAL  55           HA       VAL  55  32.639   8.262   1.214
  402    HB   VAL  55           HB       VAL  55  35.090   8.187   1.441
  403   HG11  VAL  55          1HG1      VAL  55  35.130   6.053   2.686
  404   HG12  VAL  55          2HG1      VAL  55  33.604   5.585   1.899
  405   HG13  VAL  55          3HG1      VAL  55  33.651   6.997   2.983
  406   HG21  VAL  55          3HG2      VAL  55  34.944   5.787  -0.402
  407   HG22  VAL  55          1HG2      VAL  55  36.360   6.274   0.561
  408   HG23  VAL  55          2HG2      VAL  55  35.755   7.337  -0.733
  409    H    ASP  56           H        ASP  56  32.141   8.333  -1.887
  410    HA   ASP  56           HA       ASP  56  34.021  10.467  -2.545
  411    HB2  ASP  56           2HB      ASP  56  33.306   8.713  -4.204
  412    HB3  ASP  56           1HB      ASP  56  31.691   9.457  -4.199
  413    H    ALA  57           H        ALA  57  33.722  12.511  -2.411
  414    HA   ALA  57           HA       ALA  57  31.119  13.128  -1.054
  415    HB1  ALA  57           3HB      ALA  57  33.025  13.866   0.254
  416    HB2  ALA  57           1HB      ALA  57  32.080  15.270  -0.297
  417    HB3  ALA  57           2HB      ALA  57  33.610  14.854  -1.107
  418    H    ASP  58           H        ASP  58  32.950  13.818  -3.926
  419    HA   ASP  58           HA       ASP  58  31.096  15.971  -4.656
  420    HB2  ASP  58           2HB      ASP  58  32.619  16.296  -6.584
  421    HB3  ASP  58           1HB      ASP  58  33.447  16.402  -5.014
  422    H    GLY  59           H        GLY  59  31.589  12.572  -5.305
  423    HA2  GLY  59           2HA      GLY  59  29.858  11.266  -6.322
  424    HA3  GLY  59           1HA      GLY  59  29.088  12.760  -6.898
  425    H    ASN  60           H        ASN  60  32.533  12.502  -7.358
  426    HA   ASN  60           HA       ASN  60  31.972  12.725 -10.229
  427    HB2  ASN  60           2HB      ASN  60  34.276  13.332 -10.555
  428    HB3  ASN  60           1HB      ASN  60  33.568  14.293  -9.236
  429   HD21  ASN  60          1HD2      ASN  60  36.339  14.284  -9.264
  430   HD22  ASN  60          2HD2      ASN  60  36.834  13.205  -8.061
  431    H    GLY  61           H        GLY  61  33.332  10.392  -8.042
  432    HA2  GLY  61           2HA      GLY  61  33.315   8.011  -8.629
  433    HA3  GLY  61           1HA      GLY  61  33.438   8.482 -10.337
  434    H    THR  62           H        THR  62  35.403   9.832  -7.667
  435    HA   THR  62           HA       THR  62  37.666   8.180  -8.182
  436    HB   THR  62           HB       THR  62  38.996  10.425  -8.671
  437    HG1  THR  62           HG1      THR  62  36.740  11.364  -8.662
  438   HG21  THR  62          3HG2      THR  62  39.066   8.505 -10.226
  439   HG22  THR  62          1HG2      THR  62  38.948  10.052 -11.098
  440   HG23  THR  62          2HG2      THR  62  37.510   9.018 -10.924
  441    H    ILE  63           H        ILE  63  39.412   8.840  -6.767
  442    HA   ILE  63           HA       ILE  63  38.280  10.532  -4.540
  443    HB   ILE  63           HB       ILE  63  39.912   8.001  -4.194
  444   HG12  ILE  63          2HG1      ILE  63  37.466   7.749  -4.700
  445   HG13  ILE  63          1HG1      ILE  63  38.041   7.005  -3.193
  446   HG21  ILE  63          1HG2      ILE  63  39.618   8.272  -1.761
  447   HG22  ILE  63          2HG2      ILE  63  38.867   9.864  -2.031
  448   HG23  ILE  63          3HG2      ILE  63  40.574   9.599  -2.462
  449   HD11  ILE  63          3HD1      ILE  63  36.940   8.710  -1.841
  450   HD12  ILE  63          1HD1      ILE  63  35.855   8.075  -2.878
  451   HD13  ILE  63          2HD1      ILE  63  36.529   9.634  -3.409
  452    H    ASP  64           H        ASP  64  39.535  12.098  -3.740
  453    HA   ASP  64           HA       ASP  64  42.388  12.027  -4.609
  454    HB2  ASP  64           2HB      ASP  64  42.395  14.403  -4.638
  455    HB3  ASP  64           1HB      ASP  64  40.886  13.881  -5.417
  456    H    PHE  65           H        PHE  65  43.693  13.647  -3.053
  457    HA   PHE  65           HA       PHE  65  43.897  12.145  -0.587
  458    HB2  PHE  65           2HB      PHE  65  45.912  13.103  -1.128
  459    HB3  PHE  65           1HB      PHE  65  45.212  14.720  -1.363
  460    HD1  PHE  65           HD1      PHE  65  45.721  12.112   1.336
  461    HD2  PHE  65           HD2      PHE  65  45.456  16.316   0.276
  462    HE1  PHE  65           HE1      PHE  65  46.170  12.744   3.721
  463    HE2  PHE  65           HE2      PHE  65  45.917  16.948   2.658
  464    HZ   PHE  65           HZ       PHE  65  46.235  15.153   4.364
  465    HA   PRO  66           HA       PRO  66  41.636  15.782   1.753
  466    HB2  PRO  66           2HB      PRO  66  39.702  16.427  -0.445
  467    HB3  PRO  66           1HB      PRO  66  40.378  17.476   0.827
  468    HG2  PRO  66           1HG      PRO  66  41.250  17.551  -1.772
  469    HG3  PRO  66           2HG      PRO  66  42.316  17.917  -0.390
  470    HD2  PRO  66           1HD      PRO  66  42.211  15.482  -2.109
  471    HD3  PRO  66           2HD      PRO  66  43.565  16.138  -1.153
  472    H    GLU  67           H        GLU  67  39.899  13.888  -0.703
  473    HA   GLU  67           HA       GLU  67  37.675  13.143   0.968
  474    HB2  GLU  67           2HB      GLU  67  38.661  12.069  -1.688
  475    HB3  GLU  67           1HB      GLU  67  37.137  11.621  -0.895
  476    HG2  GLU  67           2HG      GLU  67  36.275  13.874  -1.161
  477    HG3  GLU  67           1HG      GLU  67  37.832  14.428  -1.821
  478    H    PHE  68           H        PHE  68  40.641  11.688  -0.202
  479    HA   PHE  68           HA       PHE  68  40.355   9.225   1.081
  480    HB2  PHE  68           2HB      PHE  68  42.223   9.596  -0.397
  481    HB3  PHE  68           1HB      PHE  68  42.896  10.836   0.685
  482    HD1  PHE  68           HD2      PHE  68  41.787   7.222   0.808
  483    HD2  PHE  68           HD1      PHE  68  44.620  10.257   2.086
  484    HE1  PHE  68           HE2      PHE  68  43.120   5.479   2.017
  485    HE2  PHE  68           HE1      PHE  68  45.960   8.507   3.282
  486    HZ   PHE  68           HZ       PHE  68  45.212   6.127   3.208
  487    H    LEU  69           H        LEU  69  41.396  12.274   2.431
  488    HA   LEU  69           HA       LEU  69  42.197  11.031   4.969
  489    HB2  LEU  69           2HB      LEU  69  43.173  13.182   4.319
  490    HB3  LEU  69           1HB      LEU  69  41.583  13.955   4.501
  491    HG   LEU  69           HG       LEU  69  41.977  12.586   6.885
  492   HD11  LEU  69          1HD1      LEU  69  44.122  13.382   7.778
  493   HD12  LEU  69          2HD1      LEU  69  44.576  13.933   6.147
  494   HD13  LEU  69          3HD1      LEU  69  44.306  12.201   6.458
  495   HD21  LEU  69          3HD2      LEU  69  42.344  15.524   6.296
  496   HD22  LEU  69          1HD2      LEU  69  42.129  14.814   7.914
  497   HD23  LEU  69          2HD2      LEU  69  40.829  14.683   6.705
  498    H    THR  70           H        THR  70  39.275  12.702   3.835
  499    HA   THR  70           HA       THR  70  37.894  12.558   6.310
  500    HB   THR  70           HB       THR  70  35.836  12.694   4.966
  501    HG1  THR  70           HG1      THR  70  36.159  12.635   2.626
  502   HG21  THR  70          3HG2      THR  70  37.122  14.764   5.348
  503   HG22  THR  70          1HG2      THR  70  36.333  14.780   3.753
  504   HG23  THR  70          2HG2      THR  70  38.076  14.445   3.881
  505    H    MET  71           H        MET  71  37.956  10.277   3.594
  506    HA   MET  71           HA       MET  71  36.525   8.173   4.769
  507    HB2  MET  71           2HB      MET  71  37.282   8.097   2.479
  508    HB3  MET  71           1HB      MET  71  38.981   8.065   2.999
  509    HG2  MET  71           2HG      MET  71  38.545   5.865   4.108
  510    HG3  MET  71           1HG      MET  71  36.904   5.891   3.423
  511    HE1  MET  71           3HE      MET  71  40.396   4.764   3.071
  512    HE2  MET  71           1HE      MET  71  40.135   3.741   1.639
  513    HE3  MET  71           2HE      MET  71  39.057   3.592   3.047
  514    H    MET  72           H        MET  72  39.901   8.935   5.079
  515    HA   MET  72           HA       MET  72  40.587   6.755   6.779
  516    HB2  MET  72           2HB      MET  72  41.880   9.437   6.387
  517    HB3  MET  72           1HB      MET  72  42.516   8.243   7.538
  518    HG2  MET  72           2HG      MET  72  43.130   8.444   4.842
  519    HG3  MET  72           1HG      MET  72  43.498   7.085   5.924
  520    HE1  MET  72           3HE      MET  72  43.342   4.938   4.934
  521    HE2  MET  72           1HE      MET  72  41.754   4.206   4.604
  522    HE3  MET  72           2HE      MET  72  42.073   4.965   6.182
  523    H    ALA  73           H        ALA  73  39.124   9.797   7.519
  524    HA   ALA  73           HA       ALA  73  39.456   9.524  10.372
  525    HB1  ALA  73           3HB      ALA  73  38.706  11.638   9.405
  526    HB2  ALA  73           1HB      ALA  73  37.515  11.040  10.585
  527    HB3  ALA  73           2HB      ALA  73  37.204  10.870   8.840
  528    H    ARG  74           H        ARG  74  37.183   8.156   8.051
  529    HA   ARG  74           HA       ARG  74  35.500   6.919  10.033
  530    HB2  ARG  74           2HB      ARG  74  36.045   6.183   7.147
  531    HB3  ARG  74           1HB      ARG  74  34.830   5.394   8.176
  532    HG2  ARG  74           2HG      ARG  74  34.784   8.371   7.914
  533    HG3  ARG  74           1HG      ARG  74  34.188   7.379   6.565
  534    HD2  ARG  74           2HD      ARG  74  32.299   6.829   7.660
  535    HD3  ARG  74           1HD      ARG  74  33.172   6.491   9.171
  536    HE   ARG  74           HE       ARG  74  32.486   8.455   9.938
  537   HH11  ARG  74          1HH2      ARG  74  32.581   8.735   6.339
  538   HH12  ARG  74          2HH2      ARG  74  32.081  10.332   6.279
  539   HH21  ARG  74          1HH1      ARG  74  31.700  10.619   9.827
  540   HH22  ARG  74          2HH1      ARG  74  31.612  11.469   8.322
  541    H    LYS  75           H        LYS  75  38.719   6.270   9.224
  542    HA   LYS  75           HA       LYS  75  38.636   3.390   9.471
  543    HB2  LYS  75           2HB      LYS  75  40.479   4.916   8.501
  544    HB3  LYS  75           1HB      LYS  75  40.963   5.166  10.190
  545    HG2  LYS  75           2HG      LYS  75  41.061   2.570  10.289
  546    HG3  LYS  75           1HG      LYS  75  41.120   2.681   8.516
  547    HD2  LYS  75           2HD      LYS  75  43.033   4.421   8.948
  548    HD3  LYS  75           1HD      LYS  75  43.117   3.661  10.555
  549    HE2  LYS  75           2HE      LYS  75  43.065   1.435   9.038
  550    HE3  LYS  75           1HE      LYS  75  43.807   2.550   7.868
  551    HZ1  LYS  75           3HZ      LYS  75  44.776   1.922  10.594
  552    HZ2  LYS  75           1HZ      LYS  75  45.480   3.092   9.575
  553    HZ3  LYS  75           2HZ      LYS  75  45.472   1.456   9.126
  554    H    MET  76           H        MET  76  37.302   2.961  11.236
  555    HA   MET  76           HA       MET  76  38.559   2.509  13.710
  556    HB2  MET  76           2HB      MET  76  37.061   4.026  15.060
  557    HB3  MET  76           1HB      MET  76  38.408   4.804  14.206
  558    HG2  MET  76           2HG      MET  76  36.484   6.217  14.025
  559    HG3  MET  76           1HG      MET  76  36.816   5.512  12.429
  560    HE1  MET  76           3HE      MET  76  34.247   6.947  12.702
  561    HE2  MET  76           1HE      MET  76  33.073   5.776  12.055
  562    HE3  MET  76           2HE      MET  76  34.677   5.939  11.300
  563    HC1  HLT 149           H4       HLT 149  38.587   1.269   4.945
  Start of MODEL    5
    1    H1   ALA   1           1H       ALA   1  48.485  14.538  18.734
    2    H2   ALA   1           2H       ALA   1  46.904  15.207  19.067
    3    H3   ALA   1           3H       ALA   1  47.092  13.534  18.804
    4    HA   ALA   1           HA       ALA   1  47.486  15.609  16.790
    5    HB1  ALA   1           3HB      ALA   1  49.141  13.750  16.753
    6    HB2  ALA   1           1HB      ALA   1  47.972  13.607  15.419
    7    HB3  ALA   1           2HB      ALA   1  47.805  12.578  16.861
    8    H    ASP   2           H        ASP   2  45.953  14.943  14.977
    9    HA   ASP   2           HA       ASP   2  43.349  14.772  16.209
   10    HB2  ASP   2           2HB      ASP   2  44.254  15.145  13.331
   11    HB3  ASP   2           1HB      ASP   2  42.548  15.121  13.840
   12    H    GLN   3           H        GLN   3  44.748  13.169  13.356
   13    HA   GLN   3           HA       GLN   3  43.046  10.817  13.845
   14    HB2  GLN   3           2HB      GLN   3  45.188  11.308  11.758
   15    HB3  GLN   3           1HB      GLN   3  44.243   9.810  11.912
   16    HG2  GLN   3           2HG      GLN   3  42.152  11.206  11.632
   17    HG3  GLN   3           1HG      GLN   3  43.206  12.588  11.248
   18   HE21  GLN   3          1HE2      GLN   3  41.295  10.330   9.853
   19   HE22  GLN   3          2HE2      GLN   3  42.055  10.251   8.330
   20    H    LEU   4           H        LEU   4  46.594  11.369  13.458
   21    HA   LEU   4           HA       LEU   4  47.107   9.845  15.866
   22    HB2  LEU   4           2HB      LEU   4  47.113   8.519  13.281
   23    HB3  LEU   4           1HB      LEU   4  48.736   8.547  13.997
   24    HG   LEU   4           HG       LEU   4  48.010   6.591  14.778
   25   HD11  LEU   4          1HD1      LEU   4  47.307   6.725  17.130
   26   HD12  LEU   4          2HD1      LEU   4  46.970   8.459  16.907
   27   HD13  LEU   4          3HD1      LEU   4  48.630   7.844  16.718
   28   HD21  LEU   4          3HD2      LEU   4  45.177   7.605  14.980
   29   HD22  LEU   4          1HD2      LEU   4  45.724   5.969  15.421
   30   HD23  LEU   4          2HD2      LEU   4  45.859   6.528  13.737
   31    H    THR   5           H        THR   5  49.744   9.465  15.679
   32    HA   THR   5           HA       THR   5  50.794  12.121  15.869
   33    HB   THR   5           HB       THR   5  52.969  10.817  15.952
   34    HG1  THR   5           HG1      THR   5  52.214   9.237  14.506
   35   HG21  THR   5          3HG2      THR   5  51.567  11.102  18.007
   36   HG22  THR   5          1HG2      THR   5  52.399   9.528  17.993
   37   HG23  THR   5          2HG2      THR   5  50.670   9.624  17.581
   38    H    GLU   6           H        GLU   6  52.406  13.133  14.492
   39    HA   GLU   6           HA       GLU   6  51.686  13.352  11.829
   40    HB2  GLU   6           2HB      GLU   6  53.175  14.884  13.128
   41    HB3  GLU   6           1HB      GLU   6  54.493  13.714  12.888
   42    HG2  GLU   6           2HG      GLU   6  53.926  13.929  10.355
   43    HG3  GLU   6           1HG      GLU   6  53.061  15.409  10.831
   44    H    GLU   7           H        GLU   7  53.784  11.010  13.296
   45    HA   GLU   7           HA       GLU   7  55.013   9.897  11.048
   46    HB2  GLU   7           2HB      GLU   7  53.916   8.511  13.515
   47    HB3  GLU   7           1HB      GLU   7  55.088   7.816  12.378
   48    HG2  GLU   7           2HG      GLU   7  56.374   8.509  14.220
   49    HG3  GLU   7           1HG      GLU   7  56.627   9.764  12.989
   50    H    GLN   8           H        GLN   8  51.960   8.866  12.548
   51    HA   GLN   8           HA       GLN   8  51.356   7.049  10.415
   52    HB2  GLN   8           2HB      GLN   8  50.257   7.098  12.690
   53    HB3  GLN   8           1HB      GLN   8  49.236   8.409  12.056
   54    HG2  GLN   8           2HG      GLN   8  47.877   6.809  11.230
   55    HG3  GLN   8           1HG      GLN   8  49.166   6.428  10.063
   56   HE21  GLN   8          1HE2      GLN   8  51.152   5.351  11.615
   57   HE22  GLN   8          2HE2      GLN   8  50.671   3.993  12.506
   58    H    ILE   9           H        ILE   9  50.258  10.306  10.998
   59    HA   ILE   9           HA       ILE   9  48.584  10.594   8.724
   60    HB   ILE   9           HB       ILE   9  50.373  12.707   9.957
   61   HG12  ILE   9          2HG1      ILE   9  47.498  11.858  10.442
   62   HG13  ILE   9          1HG1      ILE   9  48.861  11.753  11.577
   63   HG21  ILE   9          1HG2      ILE   9  48.799  14.328   8.944
   64   HG22  ILE   9          2HG2      ILE   9  47.950  12.992   8.130
   65   HG23  ILE   9          3HG2      ILE   9  49.635  13.370   7.699
   66   HD11  ILE   9          3HD1      ILE   9  48.987  14.219  11.661
   67   HD12  ILE   9          1HD1      ILE   9  47.376  13.635  12.142
   68   HD13  ILE   9          2HD1      ILE   9  47.624  14.327  10.522
   69    H    ALA  10           H        ALA  10  52.054  11.122   8.941
   70    HA   ALA  10           HA       ALA  10  52.516  11.791   6.218
   71    HB1  ALA  10           3HB      ALA  10  54.245  12.117   7.907
   72    HB2  ALA  10           1HB      ALA  10  54.850  11.074   6.598
   73    HB3  ALA  10           2HB      ALA  10  54.366  10.358   8.153
   74    H    GLU  11           H        GLU  11  52.850   8.615   7.840
   75    HA   GLU  11           HA       GLU  11  53.187   7.105   5.546
   76    HB2  GLU  11           2HB      GLU  11  51.754   6.361   8.095
   77    HB3  GLU  11           1HB      GLU  11  52.177   5.205   6.815
   78    HG2  GLU  11           2HG      GLU  11  54.242   4.979   7.643
   79    HG3  GLU  11           1HG      GLU  11  54.518   6.733   7.534
   80    H    PHE  12           H        PHE  12  50.190   8.398   6.747
   81    HA   PHE  12           HA       PHE  12  48.543   6.926   4.872
   82    HB2  PHE  12           2HB      PHE  12  48.064   9.589   6.190
   83    HB3  PHE  12           1HB      PHE  12  46.956   8.931   4.965
   84    HD1  PHE  12           HD1      PHE  12  47.068   5.994   5.607
   85    HD2  PHE  12           HD2      PHE  12  46.869   9.481   8.188
   86    HE1  PHE  12           HE1      PHE  12  45.901   4.633   7.358
   87    HE2  PHE  12           HE2      PHE  12  45.673   8.128   9.924
   88    HZ   PHE  12           HZ       PHE  12  45.164   5.725   9.478
   89    H    LYS  13           H        LYS  13  50.374   9.889   4.625
   90    HA   LYS  13           HA       LYS  13  49.625  10.341   1.852
   91    HB2  LYS  13           2HB      LYS  13  50.553  12.116   3.288
   92    HB3  LYS  13           1HB      LYS  13  52.121  11.284   3.262
   93    HG2  LYS  13           2HG      LYS  13  50.859  12.033   0.658
   94    HG3  LYS  13           1HG      LYS  13  51.574  13.313   1.660
   95    HD2  LYS  13           2HD      LYS  13  53.120  10.851   0.827
   96    HD3  LYS  13           1HD      LYS  13  53.036  12.318  -0.171
   97    HE2  LYS  13           2HE      LYS  13  54.015  13.634   1.680
   98    HE3  LYS  13           1HE      LYS  13  54.111  12.159   2.672
   99    HZ1  LYS  13           3HZ      LYS  13  56.162  12.777   1.489
  100    HZ2  LYS  13           1HZ      LYS  13  55.394  12.411   0.008
  101    HZ3  LYS  13           2HZ      LYS  13  55.605  11.205   1.193
  102    H    GLU  14           H        GLU  14  52.276   8.453   3.409
  103    HA   GLU  14           HA       GLU  14  53.431   7.759   0.920
  104    HB2  GLU  14           2HB      GLU  14  53.268   6.056   3.408
  105    HB3  GLU  14           1HB      GLU  14  54.337   5.773   2.016
  106    HG2  GLU  14           2HG      GLU  14  55.263   8.134   2.448
  107    HG3  GLU  14           1HG      GLU  14  54.416   8.055   4.012
  108    H    ALA  15           H        ALA  15  50.767   6.324   2.638
  109    HA   ALA  15           HA       ALA  15  50.334   4.108   0.857
  110    HB1  ALA  15           3HB      ALA  15  49.186   4.228   3.011
  111    HB2  ALA  15           1HB      ALA  15  48.002   4.083   1.689
  112    HB3  ALA  15           2HB      ALA  15  48.276   5.659   2.469
  113    H    PHE  16           H        PHE  16  49.296   7.482   0.765
  114    HA   PHE  16           HA       PHE  16  47.630   7.301  -1.487
  115    HB2  PHE  16           2HB      PHE  16  47.910   9.284   0.013
  116    HB3  PHE  16           1HB      PHE  16  49.441   9.633  -0.823
  117    HD1  PHE  16           HD2      PHE  16  45.786   9.017  -1.463
  118    HD2  PHE  16           HD1      PHE  16  49.463  10.914  -2.785
  119    HE1  PHE  16           HE2      PHE  16  44.523  10.217  -3.265
  120    HE2  PHE  16           HE1      PHE  16  48.195  12.120  -4.581
  121    HZ   PHE  16           HZ       PHE  16  45.734  11.764  -4.801
  122    H    SER  17           H        SER  17  51.115   7.671  -1.302
  123    HA   SER  17           HA       SER  17  51.626   7.967  -4.104
  124    HB2  SER  17           2HB      SER  17  53.243   8.361  -2.213
  125    HB3  SER  17           1HB      SER  17  53.411   6.598  -2.066
  126    HG   SER  17           HG       SER  17  53.890   7.952  -4.490
  127    H    LEU  18           H        LEU  18  51.118   5.165  -2.101
  128    HA   LEU  18           HA       LEU  18  51.767   3.285  -4.234
  129    HB2  LEU  18           2HB      LEU  18  50.393   2.932  -1.575
  130    HB3  LEU  18           1HB      LEU  18  50.534   1.610  -2.750
  131    HG   LEU  18           HG       LEU  18  53.046   2.019  -2.654
  132   HD11  LEU  18          1HD1      LEU  18  53.959   2.861  -0.542
  133   HD12  LEU  18          2HD1      LEU  18  52.333   3.397  -0.054
  134   HD13  LEU  18          3HD1      LEU  18  53.128   4.137  -1.465
  135   HD21  LEU  18          3HD2      LEU  18  51.586   0.904  -0.242
  136   HD22  LEU  18          1HD2      LEU  18  53.285   0.579  -0.660
  137   HD23  LEU  18          2HD2      LEU  18  51.982   0.037  -1.745
  138    H    PHE  19           H        PHE  19  48.974   5.062  -3.291
  139    HA   PHE  19           HA       PHE  19  47.110   3.288  -4.638
  140    HB2  PHE  19           2HB      PHE  19  46.738   6.129  -3.661
  141    HB3  PHE  19           1HB      PHE  19  45.452   5.072  -4.287
  142    HD1  PHE  19           HD1      PHE  19  47.274   2.627  -2.807
  143    HD2  PHE  19           HD2      PHE  19  45.138   6.239  -1.688
  144    HE1  PHE  19           HE1      PHE  19  46.944   1.708  -0.502
  145    HE2  PHE  19           HE2      PHE  19  44.791   5.312   0.610
  146    HZ   PHE  19           HZ       PHE  19  45.706   3.062   1.186
  147    H    ASP  20           H        ASP  20  48.361   6.588  -5.272
  148    HA   ASP  20           HA       ASP  20  47.295   6.499  -7.944
  149    HB2  ASP  20           2HB      ASP  20  47.623   8.549  -6.411
  150    HB3  ASP  20           1HB      ASP  20  49.328   8.486  -6.916
  151    H    LYS  21           H        LYS  21  48.157   4.679  -8.638
  152    HA   LYS  21           HA       LYS  21  51.063   4.179  -8.556
  153    HB2  LYS  21           2HB      LYS  21  50.608   2.109  -9.806
  154    HB3  LYS  21           1HB      LYS  21  49.622   2.284  -8.341
  155    HG2  LYS  21           2HG      LYS  21  48.056   1.471  -9.788
  156    HG3  LYS  21           1HG      LYS  21  47.828   3.217 -10.020
  157    HD2  LYS  21           2HD      LYS  21  49.492   2.934 -11.999
  158    HD3  LYS  21           1HD      LYS  21  49.099   1.206 -11.864
  159    HE2  LYS  21           2HE      LYS  21  46.667   1.800 -12.097
  160    HE3  LYS  21           1HE      LYS  21  47.154   3.486 -12.399
  161    HZ1  LYS  21           3HZ      LYS  21  48.443   2.807 -14.212
  162    HZ2  LYS  21           1HZ      LYS  21  46.874   2.183 -14.423
  163    HZ3  LYS  21           2HZ      LYS  21  48.148   1.146 -13.927
  164    H    ASP  22           H        ASP  22  48.789   5.498 -10.819
  165    HA   ASP  22           HA       ASP  22  50.759   5.435 -12.990
  166    HB2  ASP  22           2HB      ASP  22  48.874   6.616 -14.237
  167    HB3  ASP  22           1HB      ASP  22  48.563   4.937 -13.737
  168    H    GLY  23           H        GLY  23  49.440   7.517 -10.537
  169    HA2  GLY  23           2HA      GLY  23  50.429   9.554  -9.789
  170    HA3  GLY  23           1HA      GLY  23  51.553   9.494 -11.164
  171    H    ASP  24           H        ASP  24  47.990   9.035 -11.472
  172    HA   ASP  24           HA       ASP  24  48.090  11.217 -13.407
  173    HB2  ASP  24           2HB      ASP  24  45.873  10.546 -14.084
  174    HB3  ASP  24           1HB      ASP  24  46.973   9.150 -14.066
  175    H    GLY  25           H        GLY  25  47.585  10.912 -10.197
  176    HA2  GLY  25           2HA      GLY  25  47.190  12.709  -8.679
  177    HA3  GLY  25           1HA      GLY  25  46.587  13.686 -10.035
  178    H    THR  26           H        THR  26  45.336  10.399  -9.704
  179    HA   THR  26           HA       THR  26  43.012  11.301  -8.231
  180    HB   THR  26           HB       THR  26  41.421  10.626  -9.982
  181    HG1  THR  26           HG1      THR  26  43.469   9.815 -11.326
  182   HG21  THR  26          3HG2      THR  26  41.660  12.981  -9.599
  183   HG22  THR  26          1HG2      THR  26  41.417  12.667 -11.334
  184   HG23  THR  26          2HG2      THR  26  43.041  13.061 -10.720
  185    H    ILE  27           H        ILE  27  42.237   9.808  -7.077
  186    HA   ILE  27           HA       ILE  27  43.261   7.059  -7.586
  187    HB   ILE  27           HB       ILE  27  41.369   7.988  -5.415
  188   HG12  ILE  27          2HG1      ILE  27  44.299   7.213  -5.272
  189   HG13  ILE  27          1HG1      ILE  27  43.683   8.881  -5.285
  190   HG21  ILE  27          1HG2      ILE  27  41.808   5.812  -4.333
  191   HG22  ILE  27          2HG2      ILE  27  42.736   5.292  -5.761
  192   HG23  ILE  27          3HG2      ILE  27  40.991   5.614  -5.902
  193   HD11  ILE  27          3HD1      ILE  27  42.435   8.439  -3.196
  194   HD12  ILE  27          1HD1      ILE  27  44.175   8.133  -2.984
  195   HD13  ILE  27          2HD1      ILE  27  43.049   6.769  -3.181
  196    H    THR  28           H        THR  28  42.415   5.842  -9.094
  197    HA   THR  28           HA       THR  28  39.633   6.228  -9.817
  198    HB   THR  28           HB       THR  28  39.983   4.857 -11.643
  199    HG1  THR  28           HG1      THR  28  42.350   3.847 -11.448
  200   HG21  THR  28          3HG2      THR  28  41.179   6.924 -11.904
  201   HG22  THR  28          1HG2      THR  28  42.064   5.613 -12.720
  202   HG23  THR  28          2HG2      THR  28  42.631   6.225 -11.148
  203    H    THR  29           H        THR  29  38.186   4.499 -10.088
  204    HA   THR  29           HA       THR  29  37.720   3.125  -7.660
  205    HB   THR  29           HB       THR  29  35.950   1.985  -8.771
  206    HG1  THR  29           HG1      THR  29  36.818   0.981 -10.323
  207   HG21  THR  29          3HG2      THR  29  35.578   4.411  -8.807
  208   HG22  THR  29          1HG2      THR  29  34.873   3.633 -10.245
  209   HG23  THR  29          2HG2      THR  29  36.408   4.524 -10.377
  210    H    LYS  30           H        LYS  30  39.125   2.101 -10.579
  211    HA   LYS  30           HA       LYS  30  39.674  -0.619  -9.804
  212    HB2  LYS  30           2HB      LYS  30  39.859   0.251 -12.165
  213    HB3  LYS  30           1HB      LYS  30  41.473   0.849 -11.719
  214    HG2  LYS  30           2HG      LYS  30  41.727  -1.306 -12.778
  215    HG3  LYS  30           1HG      LYS  30  42.092  -1.484 -11.047
  216    HD2  LYS  30           2HD      LYS  30  39.291  -1.952 -11.445
  217    HD3  LYS  30           1HD      LYS  30  40.201  -2.917 -12.628
  218    HE2  LYS  30           2HE      LYS  30  39.801  -4.233 -10.622
  219    HE3  LYS  30           1HE      LYS  30  41.540  -3.886 -10.773
  220    HZ1  LYS  30           3HZ      LYS  30  39.672  -2.272  -9.150
  221    HZ2  LYS  30           1HZ      LYS  30  41.347  -2.161  -9.165
  222    HZ3  LYS  30           2HZ      LYS  30  40.583  -3.539  -8.507
  223    H    GLU  31           H        GLU  31  41.662   2.318  -9.513
  224    HA   GLU  31           HA       GLU  31  43.886   1.018  -8.333
  225    HB2  GLU  31           2HB      GLU  31  42.845   3.821  -8.056
  226    HB3  GLU  31           1HB      GLU  31  44.315   3.237  -7.243
  227    HG2  GLU  31           2HG      GLU  31  45.243   2.575  -9.463
  228    HG3  GLU  31           1HG      GLU  31  43.799   3.263 -10.244
  229    H    LEU  32           H        LEU  32  40.878   2.402  -6.855
  230    HA   LEU  32           HA       LEU  32  41.519   1.829  -4.226
  231    HB2  LEU  32           2HB      LEU  32  39.494   3.031  -4.954
  232    HB3  LEU  32           1HB      LEU  32  38.807   1.493  -5.522
  233    HG   LEU  32           HG       LEU  32  39.800   1.557  -2.737
  234   HD11  LEU  32          1HD1      LEU  32  37.775   2.630  -1.849
  235   HD12  LEU  32          2HD1      LEU  32  37.303   3.068  -3.509
  236   HD13  LEU  32          3HD1      LEU  32  38.795   3.735  -2.802
  237   HD21  LEU  32          3HD2      LEU  32  37.285   0.404  -3.960
  238   HD22  LEU  32          1HD2      LEU  32  37.785   0.232  -2.261
  239   HD23  LEU  32          2HD2      LEU  32  38.782  -0.471  -3.557
  240    H    GLY  33           H        GLY  33  40.260  -0.250  -6.672
  241    HA2  GLY  33           2HA      GLY  33  39.975  -2.618  -5.084
  242    HA3  GLY  33           1HA      GLY  33  40.485  -2.687  -6.786
  243    H    THR  34           H        THR  34  42.822  -1.365  -6.678
  244    HA   THR  34           HA       THR  34  44.609  -3.416  -5.698
  245    HB   THR  34           HB       THR  34  45.154  -0.609  -6.628
  246    HG1  THR  34           HG1      THR  34  44.381  -1.557  -8.298
  247   HG21  THR  34          3HG2      THR  34  47.101  -1.463  -5.393
  248   HG22  THR  34          1HG2      THR  34  47.425  -1.372  -7.141
  249   HG23  THR  34          2HG2      THR  34  47.081  -2.944  -6.380
  250    H    VAL  35           H        VAL  35  43.670  -0.278  -4.449
  251    HA   VAL  35           HA       VAL  35  45.270  -0.068  -2.171
  252    HB   VAL  35           HB       VAL  35  42.417   0.761  -2.691
  253   HG11  VAL  35          1HG1      VAL  35  42.685   2.508  -0.996
  254   HG12  VAL  35          2HG1      VAL  35  44.252   1.801  -0.533
  255   HG13  VAL  35          3HG1      VAL  35  42.754   0.864  -0.316
  256   HG21  VAL  35          3HG2      VAL  35  45.008   2.248  -3.116
  257   HG22  VAL  35          1HG2      VAL  35  43.380   2.944  -3.296
  258   HG23  VAL  35          2HG2      VAL  35  43.903   1.618  -4.361
  259    H    MET  36           H        MET  36  41.831  -0.992  -2.049
  260    HA   MET  36           HA       MET  36  41.991  -2.094   0.494
  261    HB2  MET  36           2HB      MET  36  40.129  -2.641  -1.802
  262    HB3  MET  36           1HB      MET  36  39.948  -3.483  -0.246
  263    HG2  MET  36           2HG      MET  36  39.980  -0.463  -0.623
  264    HG3  MET  36           1HG      MET  36  38.526  -1.458  -0.382
  265    HE1  MET  36           3HE      MET  36  41.818  -0.056   1.131
  266    HE2  MET  36           1HE      MET  36  41.154   0.398   2.719
  267    HE3  MET  36           2HE      MET  36  40.412   1.030   1.229
  268    H    ARG  37           H        ARG  37  42.605  -3.597  -2.535
  269    HA   ARG  37           HA       ARG  37  42.997  -6.270  -1.546
  270    HB2  ARG  37           2HB      ARG  37  42.806  -5.489  -3.983
  271    HB3  ARG  37           1HB      ARG  37  44.546  -5.150  -3.866
  272    HG2  ARG  37           2HG      ARG  37  44.675  -7.255  -4.663
  273    HG3  ARG  37           1HG      ARG  37  44.570  -7.638  -2.930
  274    HD2  ARG  37           2HD      ARG  37  41.929  -7.579  -3.551
  275    HD3  ARG  37           1HD      ARG  37  42.603  -8.106  -5.112
  276    HE   ARG  37           HE       ARG  37  42.552  -9.536  -2.593
  277   HH11  ARG  37          1HH2      ARG  37  44.191  -9.038  -5.649
  278   HH12  ARG  37          2HH2      ARG  37  44.998 -10.551  -5.755
  279   HH21  ARG  37          1HH1      ARG  37  43.598 -11.743  -2.701
  280   HH22  ARG  37          2HH1      ARG  37  44.626 -12.137  -4.012
  281    H    SER  38           H        SER  38  45.122  -3.475  -1.640
  282    HA   SER  38           HA       SER  38  47.536  -5.017  -1.368
  283    HB2  SER  38           2HB      SER  38  48.691  -2.914  -1.012
  284    HB3  SER  38           1HB      SER  38  47.556  -2.766  -2.373
  285    HG   SER  38           HG       SER  38  46.293  -1.477  -1.202
  286    H    LEU  39           H        LEU  39  45.338  -3.399   0.733
  287    HA   LEU  39           HA       LEU  39  46.811  -3.915   3.158
  288    HB2  LEU  39           2HB      LEU  39  43.983  -3.136   2.510
  289    HB3  LEU  39           1HB      LEU  39  44.475  -3.499   4.175
  290    HG   LEU  39           HG       LEU  39  45.836  -1.637   4.328
  291   HD11  LEU  39          1HD1      LEU  39  46.377  -0.018   2.580
  292   HD12  LEU  39          2HD1      LEU  39  45.619  -1.072   1.363
  293   HD13  LEU  39          3HD1      LEU  39  47.069  -1.622   2.236
  294   HD21  LEU  39          3HD2      LEU  39  43.379  -0.865   2.733
  295   HD22  LEU  39          1HD2      LEU  39  44.333   0.245   3.746
  296   HD23  LEU  39          2HD2      LEU  39  43.481  -1.130   4.490
  297    H    GLY  40           H        GLY  40  45.374  -6.041   1.085
  298    HA2  GLY  40           2HA      GLY  40  45.561  -8.382   1.448
  299    HA3  GLY  40           1HA      GLY  40  45.505  -8.093   3.201
  300    H    GLN  41           H        GLN  41  43.428  -7.370   0.371
  301    HA   GLN  41           HA       GLN  41  41.217  -8.800   1.731
  302    HB2  GLN  41           2HB      GLN  41  41.057  -5.872   0.946
  303    HB3  GLN  41           1HB      GLN  41  39.662  -6.887   1.359
  304    HG2  GLN  41           2HG      GLN  41  41.897  -6.054   3.232
  305    HG3  GLN  41           1HG      GLN  41  40.229  -5.440   3.219
  306   HE21  GLN  41          1HE2      GLN  41  38.769  -7.777   2.823
  307   HE22  GLN  41          2HE2      GLN  41  39.044  -8.879   4.127
  308    H    ASN  42           H        ASN  42  39.117  -8.659   0.158
  309    HA   ASN  42           HA       ASN  42  40.127  -8.280  -2.609
  310    HB2  ASN  42           2HB      ASN  42  40.151 -10.738  -2.008
  311    HB3  ASN  42           1HB      ASN  42  38.382 -10.643  -1.859
  312   HD21  ASN  42          1HD2      ASN  42  39.525 -12.392  -3.590
  313   HD22  ASN  42          2HD2      ASN  42  39.198 -11.847  -5.220
  314    HA   PRO  43           HA       PRO  43  36.217  -6.219  -2.476
  315    HB2  PRO  43           2HB      PRO  43  36.966  -4.025  -3.856
  316    HB3  PRO  43           1HB      PRO  43  37.545  -4.294  -2.192
  317    HG2  PRO  43           1HG      PRO  43  39.003  -4.767  -4.818
  318    HG3  PRO  43           2HG      PRO  43  39.610  -4.016  -3.317
  319    HD2  PRO  43           1HD      PRO  43  39.965  -6.708  -3.997
  320    HD3  PRO  43           2HD      PRO  43  40.045  -6.062  -2.337
  321    H    THR  44           H        THR  44  34.500  -6.416  -3.788
  322    HA   THR  44           HA       THR  44  34.939  -7.737  -6.364
  323    HB   THR  44           HB       THR  44  32.406  -6.719  -5.058
  324    HG1  THR  44           HG1      THR  44  32.883  -8.066  -3.662
  325   HG21  THR  44          3HG2      THR  44  32.009  -7.366  -7.386
  326   HG22  THR  44          1HG2      THR  44  31.234  -8.502  -6.255
  327   HG23  THR  44          2HG2      THR  44  32.746  -8.957  -7.076
  328    H    GLU  45           H        GLU  45  33.604  -6.754  -8.339
  329    HA   GLU  45           HA       GLU  45  34.764  -4.256  -8.971
  330    HB2  GLU  45           2HB      GLU  45  32.363  -5.683 -10.106
  331    HB3  GLU  45           1HB      GLU  45  32.938  -4.122 -10.733
  332    HG2  GLU  45           2HG      GLU  45  35.205  -5.174 -11.062
  333    HG3  GLU  45           1HG      GLU  45  34.484  -6.738 -10.616
  334    H    ALA  46           H        ALA  46  31.671  -5.113  -7.556
  335    HA   ALA  46           HA       ALA  46  30.461  -2.562  -7.489
  336    HB1  ALA  46           3HB      ALA  46  29.266  -4.629  -6.883
  337    HB2  ALA  46           1HB      ALA  46  29.201  -3.446  -5.555
  338    HB3  ALA  46           2HB      ALA  46  30.318  -4.829  -5.461
  339    H    GLU  47           H        GLU  47  32.659  -4.243  -5.181
  340    HA   GLU  47           HA       GLU  47  32.590  -2.081  -3.432
  341    HB2  GLU  47           2HB      GLU  47  34.589  -4.254  -3.878
  342    HB3  GLU  47           1HB      GLU  47  34.957  -2.936  -2.745
  343    HG2  GLU  47           2HG      GLU  47  33.894  -5.083  -1.793
  344    HG3  GLU  47           1HG      GLU  47  33.199  -3.523  -1.296
  345    H    LEU  48           H        LEU  48  34.307  -2.254  -6.411
  346    HA   LEU  48           HA       LEU  48  36.207  -0.187  -5.494
  347    HB2  LEU  48           2HB      LEU  48  35.466  -1.198  -8.228
  348    HB3  LEU  48           1HB      LEU  48  36.627   0.118  -7.975
  349    HG   LEU  48           HG       LEU  48  38.271  -1.239  -7.365
  350   HD11  LEU  48          1HD1      LEU  48  38.186  -3.391  -6.226
  351   HD12  LEU  48          2HD1      LEU  48  36.408  -3.304  -6.185
  352   HD13  LEU  48          3HD1      LEU  48  37.378  -2.113  -5.286
  353   HD21  LEU  48          3HD2      LEU  48  36.439  -3.176  -8.797
  354   HD22  LEU  48          1HD2      LEU  48  38.195  -3.385  -8.593
  355   HD23  LEU  48          2HD2      LEU  48  37.565  -2.013  -9.537
  356    H    GLN  49           H        GLN  49  33.326  -0.247  -7.438
  357    HA   GLN  49           HA       GLN  49  33.194   2.594  -7.944
  358    HB2  GLN  49           2HB      GLN  49  32.060   0.868  -9.305
  359    HB3  GLN  49           1HB      GLN  49  30.986   0.518  -7.934
  360    HG2  GLN  49           2HG      GLN  49  29.586   2.121  -8.633
  361    HG3  GLN  49           1HG      GLN  49  30.872   3.336  -8.430
  362   HE21  GLN  49          1HE2      GLN  49  32.531   3.452 -10.172
  363   HE22  GLN  49          2HE2      GLN  49  31.981   3.135 -11.818
  364    H    ASP  50           H        ASP  50  31.576   0.446  -5.674
  365    HA   ASP  50           HA       ASP  50  30.132   2.509  -4.426
  366    HB2  ASP  50           2HB      ASP  50  30.722  -0.297  -3.444
  367    HB3  ASP  50           1HB      ASP  50  29.586   0.833  -2.673
  368    H    MET  51           H        MET  51  33.196   0.905  -3.566
  369    HA   MET  51           HA       MET  51  33.258   2.200  -0.981
  370    HB2  MET  51           2HB      MET  51  35.551   1.188  -2.642
  371    HB3  MET  51           1HB      MET  51  35.761   1.993  -1.078
  372    HG2  MET  51           2HG      MET  51  35.677  -0.679  -1.468
  373    HG3  MET  51           1HG      MET  51  35.361   0.155   0.068
  374    HE1  MET  51           3HE      MET  51  33.963  -1.045   1.393
  375    HE2  MET  51           1HE      MET  51  32.204  -0.878   1.177
  376    HE3  MET  51           2HE      MET  51  33.248   0.563   1.127
  377    H    ILE  52           H        ILE  52  34.380   3.170  -4.182
  378    HA   ILE  52           HA       ILE  52  35.548   5.636  -3.194
  379    HB   ILE  52           HB       ILE  52  34.602   4.752  -5.915
  380   HG12  ILE  52          2HG1      ILE  52  37.105   5.160  -4.339
  381   HG13  ILE  52          1HG1      ILE  52  36.648   3.840  -5.433
  382   HG21  ILE  52          1HG2      ILE  52  35.450   6.863  -6.868
  383   HG22  ILE  52          2HG2      ILE  52  35.717   7.507  -5.230
  384   HG23  ILE  52          3HG2      ILE  52  34.063   7.170  -5.796
  385   HD11  ILE  52          3HD1      ILE  52  37.140   5.267  -7.374
  386   HD12  ILE  52          1HD1      ILE  52  38.555   5.097  -6.309
  387   HD13  ILE  52          2HD1      ILE  52  37.595   6.596  -6.281
  388    H    ASN  53           H        ASN  53  32.422   4.918  -4.686
  389    HA   ASN  53           HA       ASN  53  31.445   7.548  -4.446
  390    HB2  ASN  53           2HB      ASN  53  30.531   5.659  -5.838
  391    HB3  ASN  53           1HB      ASN  53  29.702   5.084  -4.374
  392   HD21  ASN  53          1HD2      ASN  53  27.973   5.403  -6.012
  393   HD22  ASN  53          2HD2      ASN  53  27.228   7.017  -6.025
  394    H    GLU  54           H        GLU  54  31.497   5.061  -2.093
  395    HA   GLU  54           HA       GLU  54  29.518   6.271  -0.370
  396    HB2  GLU  54           2HB      GLU  54  30.172   4.784   1.386
  397    HB3  GLU  54           1HB      GLU  54  30.068   3.886  -0.143
  398    HG2  GLU  54           2HG      GLU  54  32.440   3.732  -0.329
  399    HG3  GLU  54           1HG      GLU  54  32.690   4.923   0.966
  400    H    VAL  55           H        VAL  55  32.868   6.811  -0.930
  401    HA   VAL  55           HA       VAL  55  32.808   8.759   1.302
  402    HB   VAL  55           HB       VAL  55  35.229   8.518   1.503
  403   HG11  VAL  55          1HG1      VAL  55  35.162   6.307   2.613
  404   HG12  VAL  55          2HG1      VAL  55  33.617   5.967   1.798
  405   HG13  VAL  55          3HG1      VAL  55  33.730   7.303   2.968
  406   HG21  VAL  55          3HG2      VAL  55  34.983   6.231  -0.471
  407   HG22  VAL  55          1HG2      VAL  55  36.418   6.612   0.511
  408   HG23  VAL  55          2HG2      VAL  55  35.854   7.763  -0.723
  409    H    ASP  56           H        ASP  56  32.226   8.878  -1.795
  410    HA   ASP  56           HA       ASP  56  34.201  10.912  -2.508
  411    HB2  ASP  56           2HB      ASP  56  33.332   9.211  -4.161
  412    HB3  ASP  56           1HB      ASP  56  31.756  10.031  -4.073
  413    H    ALA  57           H        ALA  57  33.999  12.940  -2.217
  414    HA   ALA  57           HA       ALA  57  31.443  13.616  -0.786
  415    HB1  ALA  57           3HB      ALA  57  33.425  14.157   0.523
  416    HB2  ALA  57           1HB      ALA  57  32.548  15.643   0.086
  417    HB3  ALA  57           2HB      ALA  57  34.033  15.196  -0.788
  418    H    ASP  58           H        ASP  58  33.306  14.325  -3.629
  419    HA   ASP  58           HA       ASP  58  31.649  16.656  -4.226
  420    HB2  ASP  58           2HB      ASP  58  33.205  16.917  -6.153
  421    HB3  ASP  58           1HB      ASP  58  34.010  16.922  -4.569
  422    H    GLY  59           H        GLY  59  31.813  13.269  -5.075
  423    HA2  GLY  59           2HA      GLY  59  29.989  12.184  -6.194
  424    HA3  GLY  59           1HA      GLY  59  29.333  13.775  -6.638
  425    H    ASN  60           H        ASN  60  32.740  13.245  -7.123
  426    HA   ASN  60           HA       ASN  60  32.239  13.687  -9.984
  427    HB2  ASN  60           2HB      ASN  60  34.579  14.150 -10.247
  428    HB3  ASN  60           1HB      ASN  60  33.931  15.070  -8.869
  429   HD21  ASN  60          1HD2      ASN  60  36.708  14.865  -8.878
  430   HD22  ASN  60          2HD2      ASN  60  37.049  13.604  -7.758
  431    H    GLY  61           H        GLY  61  33.451  11.140  -7.895
  432    HA2  GLY  61           2HA      GLY  61  33.219   8.812  -8.618
  433    HA3  GLY  61           1HA      GLY  61  33.397   9.366 -10.295
  434    H    THR  62           H        THR  62  35.471  10.492  -7.610
  435    HA   THR  62           HA       THR  62  37.590   8.685  -8.215
  436    HB   THR  62           HB       THR  62  39.114  10.790  -8.619
  437    HG1  THR  62           HG1      THR  62  38.095  12.462  -9.639
  438   HG21  THR  62          3HG2      THR  62  38.888   9.001 -10.312
  439   HG22  THR  62          1HG2      THR  62  38.934  10.612 -11.067
  440   HG23  THR  62          2HG2      THR  62  37.385   9.751 -10.900
  441    H    ILE  63           H        ILE  63  39.389   9.131  -6.749
  442    HA   ILE  63           HA       ILE  63  38.365  10.769  -4.441
  443    HB   ILE  63           HB       ILE  63  39.728   8.068  -4.274
  444   HG12  ILE  63          2HG1      ILE  63  37.263   8.143  -4.755
  445   HG13  ILE  63          1HG1      ILE  63  37.759   7.226  -3.317
  446   HG21  ILE  63          1HG2      ILE  63  39.498   8.192  -1.823
  447   HG22  ILE  63          2HG2      ILE  63  38.933   9.874  -1.962
  448   HG23  ILE  63          3HG2      ILE  63  40.592   9.450  -2.446
  449   HD11  ILE  63          3HD1      ILE  63  37.072   9.101  -1.875
  450   HD12  ILE  63          1HD1      ILE  63  35.723   8.524  -2.882
  451   HD13  ILE  63          2HD1      ILE  63  36.577  10.025  -3.312
  452    H    ASP  64           H        ASP  64  39.773  12.078  -3.423
  453    HA   ASP  64           HA       ASP  64  42.596  11.806  -4.365
  454    HB2  ASP  64           2HB      ASP  64  42.880  14.161  -4.169
  455    HB3  ASP  64           1HB      ASP  64  41.342  13.876  -5.012
  456    H    PHE  65           H        PHE  65  43.993  13.251  -2.711
  457    HA   PHE  65           HA       PHE  65  44.134  11.510  -0.391
  458    HB2  PHE  65           2HB      PHE  65  46.221  12.312  -0.883
  459    HB3  PHE  65           1HB      PHE  65  45.678  14.002  -0.978
  460    HD1  PHE  65           HD1      PHE  65  45.874  11.156   1.527
  461    HD2  PHE  65           HD2      PHE  65  46.152  15.423   0.764
  462    HE1  PHE  65           HE1      PHE  65  46.426  11.553   3.940
  463    HE2  PHE  65           HE2      PHE  65  46.716  15.819   3.174
  464    HZ   PHE  65           HZ       PHE  65  46.824  13.881   4.744
  465    HA   PRO  66           HA       PRO  66  42.223  15.086   2.324
  466    HB2  PRO  66           2HB      PRO  66  40.317  16.089   0.230
  467    HB3  PRO  66           1HB      PRO  66  41.079  16.956   1.588
  468    HG2  PRO  66           1HG      PRO  66  41.948  17.240  -0.986
  469    HG3  PRO  66           2HG      PRO  66  43.063  17.329   0.403
  470    HD2  PRO  66           1HD      PRO  66  42.656  15.115  -1.568
  471    HD3  PRO  66           2HD      PRO  66  44.107  15.541  -0.626
  472    H    GLU  67           H        GLU  67  40.228  13.657  -0.285
  473    HA   GLU  67           HA       GLU  67  37.984  13.021   1.376
  474    HB2  GLU  67           2HB      GLU  67  38.844  11.962  -1.327
  475    HB3  GLU  67           1HB      GLU  67  37.292  11.621  -0.537
  476    HG2  GLU  67           2HG      GLU  67  36.687  14.000  -0.670
  477    HG3  GLU  67           1HG      GLU  67  38.248  14.356  -1.446
  478    H    PHE  68           H        PHE  68  40.786  11.269   0.098
  479    HA   PHE  68           HA       PHE  68  40.186   8.828   1.360
  480    HB2  PHE  68           2HB      PHE  68  42.058   8.982  -0.156
  481    HB3  PHE  68           1HB      PHE  68  42.907  10.101   0.935
  482    HD1  PHE  68           HD2      PHE  68  41.457   6.622   0.807
  483    HD2  PHE  68           HD1      PHE  68  44.408   9.309   2.523
  484    HE1  PHE  68           HE2      PHE  68  42.547   4.685   1.970
  485    HE2  PHE  68           HE1      PHE  68  45.511   7.369   3.668
  486    HZ   PHE  68           HZ       PHE  68  44.585   5.072   3.354
  487    H    LEU  69           H        LEU  69  41.702  11.695   2.751
  488    HA   LEU  69           HA       LEU  69  42.384  10.334   5.236
  489    HB2  LEU  69           2HB      LEU  69  43.603  12.331   4.545
  490    HB3  LEU  69           1HB      LEU  69  42.129  13.302   4.735
  491    HG   LEU  69           HG       LEU  69  43.031  11.743   7.088
  492   HD11  LEU  69          1HD1      LEU  69  44.681  13.444   7.765
  493   HD12  LEU  69          2HD1      LEU  69  44.533  14.202   6.162
  494   HD13  LEU  69          3HD1      LEU  69  45.169  12.546   6.307
  495   HD21  LEU  69          3HD2      LEU  69  41.973  14.569   6.819
  496   HD22  LEU  69          1HD2      LEU  69  42.361  13.746   8.348
  497   HD23  LEU  69          2HD2      LEU  69  41.054  13.127   7.311
  498    H    THR  70           H        THR  70  39.710  12.442   4.227
  499    HA   THR  70           HA       THR  70  38.343  12.321   6.700
  500    HB   THR  70           HB       THR  70  36.280  12.749   5.325
  501    HG1  THR  70           HG1      THR  70  36.820  11.668   3.398
  502   HG21  THR  70          3HG2      THR  70  37.733  14.612   6.075
  503   HG22  THR  70          1HG2      THR  70  37.043  14.937   4.466
  504   HG23  THR  70          2HG2      THR  70  38.737  14.412   4.618
  505    H    MET  71           H        MET  71  38.221  10.121   3.913
  506    HA   MET  71           HA       MET  71  36.426   8.263   5.029
  507    HB2  MET  71           2HB      MET  71  37.074   8.152   2.750
  508    HB3  MET  71           1HB      MET  71  38.782   7.939   3.181
  509    HG2  MET  71           2HG      MET  71  36.670   5.893   3.848
  510    HG3  MET  71           1HG      MET  71  37.544   5.913   2.302
  511    HE1  MET  71           3HE      MET  71  37.913   3.261   3.247
  512    HE2  MET  71           1HE      MET  71  39.689   3.179   3.149
  513    HE3  MET  71           2HE      MET  71  38.777   4.159   1.976
  514    H    MET  72           H        MET  72  39.851   8.582   5.426
  515    HA   MET  72           HA       MET  72  40.304   6.273   7.040
  516    HB2  MET  72           2HB      MET  72  41.788   8.898   7.136
  517    HB3  MET  72           1HB      MET  72  42.299   7.399   7.940
  518    HG2  MET  72           2HG      MET  72  41.757   7.222   5.035
  519    HG3  MET  72           1HG      MET  72  43.165   8.188   5.525
  520    HE1  MET  72           3HE      MET  72  41.592   4.853   7.018
  521    HE2  MET  72           1HE      MET  72  42.648   3.652   6.237
  522    HE3  MET  72           2HE      MET  72  41.557   4.653   5.250
  523    H    ALA  73           H        ALA  73  39.036   9.421   7.899
  524    HA   ALA  73           HA       ALA  73  39.218   9.024  10.739
  525    HB1  ALA  73           3HB      ALA  73  38.617  11.202   9.802
  526    HB2  ALA  73           1HB      ALA  73  37.339  10.627  10.899
  527    HB3  ALA  73           2HB      ALA  73  37.112  10.521   9.137
  528    H    ARG  74           H        ARG  74  36.944   7.998   8.304
  529    HA   ARG  74           HA       ARG  74  35.072   6.792  10.153
  530    HB2  ARG  74           2HB      ARG  74  35.574   6.347   7.206
  531    HB3  ARG  74           1HB      ARG  74  34.259   5.574   8.119
  532    HG2  ARG  74           2HG      ARG  74  34.611   8.577   8.113
  533    HG3  ARG  74           1HG      ARG  74  33.721   7.741   6.818
  534    HD2  ARG  74           2HD      ARG  74  32.791   6.639   9.267
  535    HD3  ARG  74           1HD      ARG  74  32.850   8.401   9.504
  536    HE   ARG  74           HE       ARG  74  31.110   8.641   8.069
  537   HH11  ARG  74          1HH2      ARG  74  32.527   5.386   7.576
  538   HH12  ARG  74          2HH2      ARG  74  31.491   4.960   6.269
  539   HH21  ARG  74          1HH1      ARG  74  29.564   7.895   6.423
  540   HH22  ARG  74          2HH1      ARG  74  29.794   6.381   5.637
  541    H    LYS  75           H        LYS  75  38.039   5.723   8.772
  542    HA   LYS  75           HA       LYS  75  37.693   2.921   9.255
  543    HB2  LYS  75           2HB      LYS  75  39.517   3.942   7.921
  544    HB3  LYS  75           1HB      LYS  75  40.255   4.517   9.427
  545    HG2  LYS  75           2HG      LYS  75  39.875   1.653   9.515
  546    HG3  LYS  75           1HG      LYS  75  40.770   2.132   8.057
  547    HD2  LYS  75           2HD      LYS  75  42.546   1.909   9.455
  548    HD3  LYS  75           1HD      LYS  75  42.125   3.588   9.857
  549    HE2  LYS  75           2HE      LYS  75  40.762   2.701  11.783
  550    HE3  LYS  75           1HE      LYS  75  41.423   1.088  11.429
  551    HZ1  LYS  75           3HZ      LYS  75  42.577   2.374  13.156
  552    HZ2  LYS  75           1HZ      LYS  75  43.087   3.460  11.934
  553    HZ3  LYS  75           2HZ      LYS  75  43.581   1.825  11.890
  554    H    MET  76           H        MET  76  36.656   2.509  11.169
  555    HA   MET  76           HA       MET  76  38.189   2.004  13.464
  556    HB2  MET  76           2HB      MET  76  36.985   3.603  15.001
  557    HB3  MET  76           1HB      MET  76  38.243   4.306  13.965
  558    HG2  MET  76           2HG      MET  76  36.400   5.830  14.047
  559    HG3  MET  76           1HG      MET  76  36.463   5.112  12.423
  560    HE1  MET  76           3HE      MET  76  34.043   6.630  12.845
  561    HE2  MET  76           1HE      MET  76  32.743   5.484  12.438
  562    HE3  MET  76           2HE      MET  76  34.255   5.485  11.498
  563    HC1  HLT 149           H4       HLT 149  37.973   1.009   5.225