*HEADER    DNA BINDING PROTEIN                     23-JAN-03   1J3C              
*TITLE     SOLUTION STRUCTURE OF THE C-TERMINAL DOMAIN OF THE HMGB2              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HIGH MOBILITY GROUP PROTEIN 2;                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: C-TERMINAL DOMAIN, B DOMAIN;                               
*COMPND   5 SYNONYM: HIGH MOBILITY GROUP B2, HMG2, HMGB2;                        
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SUS SCROFA;                                     
*SOURCE   3 ORGANISM_COMMON: PIG;                                                
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: PET;                                       
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET-22B                                   
*KEYWDS    HMG-BOX                                                               
*EXPDTA    NMR, 30 STRUCTURES                                                    
*AUTHOR    J.KURITA, H.SHIMAHARA, M.YOSHIDA, S.TATE                              
*REVDAT   1   25-MAY-04 1J3C    0                                                

!!This file contains restraint lists for NOEs, dihedral angles and dipolar coupling constants.
!NOE restraints
! M1
assign (resi    1  and name HA   ) (resi    1  and name HB#  )  2.3  1.6  1.6 !        M1     
assign (resi    1  and name HA   ) (resi    1  and name HG#  )  2.8  1.9  1.9 !        M1     
assign (resi    1  and name HA   ) (resi    2  and name HG#  )  2.8  3.8  4.2 !        K2     
assign (resi    1  and name HB#  ) (resi    1  and name HG#  )  2.3  2.7  2.7 ! M1     M1     
assign (resi    1  and name HB#  ) (resi    3  and name HB#  )  2.6  2.9  2.9 ! M1     K3     


! K2
assign (resi    2  and name HA   ) (resi    2  and name HB#  )  2.3  1.6  1.6 !        K2     
assign (resi    2  and name HA   ) (resi    2  and name HG#  )  2.4  1.8  1.8 !        K2     
assign (resi    2  and name HA   ) (resi    2  and name HD#  )  2.7  1.9  1.9 !        K2     
assign (resi    2  and name HA   ) (resi    2  and name HE#  )  3.5  2.5  2.5 !        K2     
assign (resi    2  and name HA   ) (resi    3  and name HB#  )  2.9  3.9  4.1 !        K3     
assign (resi    2  and name HA   ) (resi    3  and name HN   )  3.4  1.5  1.5
assign (resi    2  and name HB#  ) (resi    2  and name HE#  )  3.0  3.1  3.1 ! K2     K2     
assign (resi    2  and name HB#  ) (resi    3  and name HA   )  2.2  3.2  4.8 ! K2     
assign (resi    2  and name HB#  ) (resi    3  and name HN   )  3.2  2.3  2.3 ! K2     
assign (resi    2  and name HD#  ) (resi    2  and name HE#  )  1.7  2.4  2.5 ! K2     K2     


! K3
assign (resi    3  and name HA   ) (resi    3  and name HB#  )  2.2  1.6  1.6 !        K3     
assign (resi    3  and name HA   ) (resi    3  and name HG#  )  2.5  1.8  1.8 !        K3     
assign (resi    3  and name HA   ) (resi    3  and name HE#  )  3.2  2.3  2.3 !        K3     
assign (resi    3  and name HA   ) (resi    3  and name HN   )  2.2  0.6  0.6
assign (resi    3  and name HB#  ) (resi    3  and name HN   )  2.5  1.8  1.8 ! K3     
assign (resi    3  and name HG#  ) (resi    3  and name HN   )  3.4  2.4  2.4 ! K3     
assign (resi    3  and name HN   ) (resi    4  and name HG#  )  3.1  2.2  2.2 !        K4     


! K4
assign (resi    4  and name HA   ) (resi    4  and name HN   )  2.2  0.6  0.6
assign (resi    4  and name HB#  ) (resi    4  and name HN   )  2.8  2.0  2.0 ! K4     
assign (resi    4  and name HB#  ) (resi    5  and name HN   )  2.7  1.9  1.9 ! K4     
assign (resi    4  and name HB#  ) (resi   10  and name HN   )  3.1  4.1  3.9 ! K4     
assign (resi    4  and name HG#  ) (resi    5  and name HN   )  3.5  2.5  2.5 ! K4     
assign (resi    4  and name HE#  ) (resi    6  and name HA   )  2.8  3.8  4.2 ! K4     
assign (resi    4  and name HE#  ) (resi    8  and name HB#  )  2.7  3.4  3.4 ! K4     A8     
assign (resi    4  and name HE#  ) (resi   73  and name HD1# )  2.6  5.1  5.9 ! K4     I73     
assign (resi    4  and name HN   ) (resi    5  and name HB2  )  2.2  2.2  3.8


! D5
assign (resi    5  and name HA   ) (resi    5  and name HB1  )  3.0  1.1  1.1
assign (resi    5  and name HA   ) (resi    5  and name HB2  )  2.6  0.8  0.8
assign (resi    5  and name HA   ) (resi    5  and name HN   )  2.7  0.9  0.9
assign (resi    5  and name HA   ) (resi    6  and name HG1  )  4.2  2.2  1.8
assign (resi    5  and name HA   ) (resi    6  and name HD#  )  2.4  1.7  1.7 !        P6     
assign (resi    5  and name HA   ) (resi    7  and name HN   )  3.8  1.8  1.8
assign (resi    5  and name HB1  ) (resi    5  and name HB2  )  2.0  0.5  0.5
assign (resi    5  and name HB1  ) (resi    5  and name HN   )  3.2  1.3  1.3
assign (resi    5  and name HB1  ) (resi    7  and name HN   )  3.7  1.7  1.7
assign (resi    5  and name HB1  ) (resi    8  and name HB#  )  2.8  2.5  2.5 !        A8     
assign (resi    5  and name HB2  ) (resi    5  and name HN   )  3.1  1.2  1.2
assign (resi    5  and name HB2  ) (resi    7  and name HN   )  3.1  3.1  2.9
assign (resi    5  and name HB2  ) (resi    8  and name HB#  )  3.0  2.6  2.6 !        A8     
assign (resi    5  and name HN   ) (resi    6  and name HA   )  2.5  2.5  3.5
assign (resi    5  and name HN   ) (resi    6  and name HD#  )  4.2  3.2  2.8 !        P6     
assign (resi    5  and name HN   ) (resi    8  and name HB#  )  3.5  3.1  3.1 !        A8     
assign (resi    5  and name HN   ) (resi   73  and name HG1# )  3.9  4.9  3.1 !        I73     


! P6
assign (resi    6  and name HA   ) (resi    6  and name HB1  )  2.6  0.8  0.8
assign (resi    6  and name HA   ) (resi    6  and name HB2  )  2.9  1.1  1.1
assign (resi    6  and name HA   ) (resi    6  and name HG1  )  3.3  1.4  1.4
assign (resi    6  and name HA   ) (resi    6  and name HG2  )  3.2  1.3  1.3
assign (resi    6  and name HB1  ) (resi    6  and name HB2  )  1.8  0.4  0.4
assign (resi    6  and name HB1  ) (resi    6  and name HG1  )  2.1  0.6  0.6
assign (resi    6  and name HB1  ) (resi    6  and name HG2  )  3.1  1.2  1.2
assign (resi    6  and name HB1  ) (resi    6  and name HD#  )  3.3  2.4  2.4 !        P6     
assign (resi    6  and name HB1  ) (resi    7  and name HA   )  3.1  3.1  2.9
assign (resi    6  and name HB1  ) (resi    7  and name HN   )  4.6  2.6  1.4
assign (resi    6  and name HB2  ) (resi    6  and name HG2  )  2.5  0.8  0.8
assign (resi    6  and name HB2  ) (resi    6  and name HD#  )  3.5  2.5  2.5 !        P6     
assign (resi    6  and name HB2  ) (resi    7  and name HN   )  2.7  0.9  0.9
assign (resi    6  and name HG1  ) (resi    6  and name HD#  )  2.7  1.9  1.9 !        P6     
assign (resi    6  and name HG1  ) (resi    7  and name HN   )  3.6  1.6  1.6
assign (resi    6  and name HG2  ) (resi    6  and name HD#  )  2.7  1.9  1.9 !        P6     
assign (resi    6  and name HD#  ) (resi    7  and name HN   )  2.9  2.1  2.1 ! P6     


! N7
assign (resi    7  and name HA   ) (resi    7  and name HB1  )  2.6  0.8  0.8
assign (resi    7  and name HA   ) (resi    7  and name HB2  )  2.8  1.0  1.0
assign (resi    7  and name HA   ) (resi    7  and name HN   )  2.8  1.0  1.0
assign (resi    7  and name HA   ) (resi    8  and name HN   )  2.7  0.9  0.9
assign (resi    7  and name HB1  ) (resi    8  and name HN   )  3.3  1.3  1.3
assign (resi    7  and name HB2  ) (resi    7  and name HN   )  2.5  2.5  3.5
assign (resi    7  and name HD21 ) (resi    7  and name HN   )  3.4  1.5  1.5
assign (resi    7  and name HN   ) (resi    8  and name HB#  )  4.1  3.6  3.4 !        A8     
assign (resi    7  and name HN   ) (resi    8  and name HN   )  2.5  0.8  0.8


! A8
assign (resi    8  and name HA   ) (resi    8  and name HB#  )  2.3  2.1  2.1 !        A8     
assign (resi    8  and name HA   ) (resi    8  and name HN   )  2.8  1.0  1.0
assign (resi    8  and name HA   ) (resi    9  and name HD1  )  2.6  0.8  0.8
assign (resi    8  and name HA   ) (resi    9  and name HD2  )  2.6  0.9  0.9
assign (resi    8  and name HA   ) (resi   73  and name HD1# )  3.5  3.0  3.0 !        I73     
assign (resi    8  and name HA   ) (resi   76  and name HD#  )  3.3  3.4  3.4 !        Y76     
assign (resi    8  and name HA   ) (resi   76  and name HE#  )  3.1  4.2  4.2 !        Y76     
assign (resi    8  and name HB#  ) (resi    8  and name HN   )  2.3  2.2  2.2 ! A8     
assign (resi    8  and name HB#  ) (resi    9  and name HA   )  3.5  3.0  3.0 ! A8     
assign (resi    8  and name HB#  ) (resi    9  and name HG2  )  3.3  2.8  2.8 ! A8     
assign (resi    8  and name HB#  ) (resi    9  and name HD1  )  3.5  3.0  3.0 ! A8     
assign (resi    8  and name HB#  ) (resi    9  and name HD2  )  2.6  2.3  2.3 ! A8     
assign (resi    8  and name HB#  ) (resi   10  and name HB1  )  3.0  4.5  4.5 ! A8     
assign (resi    8  and name HB#  ) (resi   76  and name HD#  )  3.1  4.7  4.7 ! A8     Y76     
assign (resi    8  and name HB#  ) (resi   76  and name HE#  )  2.7  5.4  5.4 ! A8     Y76     
assign (resi    8  and name HN   ) (resi    9  and name HD1  )  4.9  3.0  1.1
assign (resi    8  and name HN   ) (resi    9  and name HD2  )  4.9  3.0  1.1
assign (resi    8  and name HN   ) (resi   76  and name HE#  )  4.0  5.0  5.0 !        Y76     


! P9
assign (resi    9  and name HA   ) (resi    9  and name HB1  )  2.9  1.0  1.0
assign (resi    9  and name HA   ) (resi    9  and name HB2  )  3.2  1.2  1.2
assign (resi    9  and name HA   ) (resi    9  and name HG1  )  3.8  1.8  1.8
assign (resi    9  and name HA   ) (resi   10  and name HB2  )  2.9  2.9  3.1
assign (resi    9  and name HA   ) (resi   10  and name HN   )  2.2  0.6  0.6
assign (resi    9  and name HA   ) (resi   69  and name HE#  )  3.0  6.0  6.0 !        Y69     
assign (resi    9  and name HA   ) (resi   73  and name HD1# )  3.6  5.1  3.9 !        I73     
assign (resi    9  and name HB1  ) (resi    9  and name HB2  )  2.2  0.6  0.6
assign (resi    9  and name HB1  ) (resi   10  and name HN   )  3.7  1.7  1.7
assign (resi    9  and name HB1  ) (resi   69  and name HE#  )  4.3  5.3  4.7 !        Y69     
assign (resi    9  and name HB2  ) (resi   10  and name HN   )  3.0  1.1  1.1
assign (resi    9  and name HB2  ) (resi   69  and name HD#  )  3.0  3.1  3.1 !        Y69     
assign (resi    9  and name HB2  ) (resi   69  and name HE#  )  3.9  4.9  4.9 !        Y69     
assign (resi    9  and name HB2  ) (resi   73  and name HD1# )  3.5  3.0  3.0 !        I73     
assign (resi    9  and name HG1  ) (resi   70  and name HN   )  4.4  2.5  1.6
assign (resi    9  and name HG1  ) (resi   73  and name HB   )  2.6  0.8  0.8
assign (resi    9  and name HG1  ) (resi   73  and name HG2# )  3.4  3.0  3.0 !        I73     
assign (resi    9  and name HG1  ) (resi   73  and name HD1# )  2.9  2.6  2.6 !        I73     
assign (resi    9  and name HG1  ) (resi   76  and name HB2  )  2.3  2.3  3.7
assign (resi    9  and name HG2  ) (resi   69  and name HE#  )  3.6  4.6  4.6 !        Y69     
assign (resi    9  and name HG2  ) (resi   69  and name HN   )  4.6  2.6  1.4
assign (resi    9  and name HG2  ) (resi   72  and name HN   )  4.1  2.1  1.9
assign (resi    9  and name HG2  ) (resi   73  and name HG2# )  3.4  2.9  2.9 !        I73     
assign (resi    9  and name HG2  ) (resi   73  and name HD1# )  2.5  2.3  2.3 !        I73     
assign (resi    9  and name HG2  ) (resi   76  and name HB2  )  2.3  2.3  3.7
assign (resi    9  and name HD1  ) (resi   76  and name HE#  )  3.0  6.0  6.0 !        Y76     
assign (resi    9  and name HD2  ) (resi   73  and name HD1# )  2.4  2.2  2.2 !        I73     


! K10
assign (resi   10  and name HA   ) (resi   10  and name HB1  )  2.6  0.9  0.9
assign (resi   10  and name HA   ) (resi   10  and name HN   )  2.2  0.6  0.6
assign (resi   10  and name HA   ) (resi   11  and name HN   )  2.2  0.6  0.6
assign (resi   10  and name HA   ) (resi   69  and name HE#  )  3.4  4.4  4.4 !        Y69    
assign (resi   10  and name HB1  ) (resi   10  and name HN   )  2.8  1.0  1.0
assign (resi   10  and name HB1  ) (resi   11  and name HN   )  3.4  1.5  1.5
assign (resi   10  and name HB2  ) (resi   11  and name HB#  )  2.7  3.7  4.3 !        R11    
assign (resi   10  and name HB2  ) (resi   11  and name HN   )  3.4  1.4  1.4
assign (resi   10  and name HG#  ) (resi   10  and name HD#  )  2.1  2.6  2.6 ! K10    K10    
assign (resi   10  and name HG#  ) (resi   10  and name HN   )  3.4  2.5  2.5 ! K10    
assign (resi   10  and name HG#  ) (resi   11  and name HD#  )  2.4  2.7  2.7 ! K10    R11    
assign (resi   10  and name HG#  ) (resi   11  and name HN   )  2.5  1.8  1.8 ! K10    
assign (resi   10  and name HD#  ) (resi   10  and name HN   )  3.1  4.1  3.9 ! K10    
assign (resi   10  and name HD#  ) (resi   17  and name HZ   )  3.1  4.1  3.9 ! K10    
assign (resi   10  and name HN   ) (resi   11  and name HN   )  3.9  1.9  1.9


! R11
assign (resi   11  and name HA   ) (resi   11  and name HB#  )  3.0  2.1  2.1 !        R11    
assign (resi   11  and name HA   ) (resi   11  and name HN   )  2.9  1.0  1.0
assign (resi   11  and name HA   ) (resi   69  and name HD#  )  3.3  3.4  3.4 !        Y69    
assign (resi   11  and name HA   ) (resi   69  and name HE#  )  3.3  4.4  4.4 !        Y69    
assign (resi   11  and name HB#  ) (resi   11  and name HD#  )  2.8  3.0  3.0 ! R11    R11    
assign (resi   11  and name HB#  ) (resi   11  and name HN   )  2.6  1.8  1.8 ! R11    
assign (resi   11  and name HB#  ) (resi   13  and name HB#  )  2.8  4.8  5.2 ! R11    P13    
assign (resi   11  and name HB#  ) (resi   69  and name HD#  )  2.7  5.7  6.3 ! R11    Y69    
assign (resi   11  and name HG#  ) (resi   11  and name HD#  )  2.3  2.6  2.6 ! R11    R11    
assign (resi   11  and name HG#  ) (resi   12  and name HD2  )  3.4  2.4  2.4 ! R11    
assign (resi   11  and name HG#  ) (resi   69  and name HD#  )  2.8  5.8  6.2 ! R11    Y69    
assign (resi   11  and name HD#  ) (resi   11  and name HN   )  3.7  2.8  2.8 ! R11    
assign (resi   11  and name HN   ) (resi   12  and name HD1  )  4.2  2.2  1.8
assign (resi   11  and name HN   ) (resi   12  and name HD2  )  4.8  2.8  1.2
assign (resi   11  and name HN   ) (resi   69  and name HE#  )  3.8  4.8  4.8 !        Y69    


! P12
assign (resi   12  and name HA   ) (resi   12  and name HB1  )  2.5  0.8  0.8
assign (resi   12  and name HA   ) (resi   13  and name HG#  )  4.2  3.2  2.8 !        P13    
assign (resi   12  and name HB1  ) (resi   13  and name HD2  )  3.4  1.4  1.4
assign (resi   12  and name HB1  ) (resi   69  and name HD#  )  3.1  3.2  3.2 !        Y69    
assign (resi   12  and name HG1  ) (resi   12  and name HD1  )  2.7  0.9  0.9
assign (resi   12  and name HG2  ) (resi   13  and name HD1  )  3.6  3.6  2.4
assign (resi   12  and name HD1  ) (resi   69  and name HE#  )  3.1  4.2  4.2 !        Y69    


! P13
assign (resi   13  and name HA   ) (resi   13  and name HB#  )  2.2  1.6  1.6 !        P13    
assign (resi   13  and name HA   ) (resi   14  and name HN   )  2.4  0.7  0.7
assign (resi   13  and name HA   ) (resi   17  and name HD#  )  3.0  3.1  3.1 !        F17    
assign (resi   13  and name HB#  ) (resi   13  and name HD1  )  3.1  2.2  2.2 ! P13    
assign (resi   13  and name HB#  ) (resi   13  and name HD2  )  3.5  2.6  2.6 ! P13    
assign (resi   13  and name HB#  ) (resi   17  and name HD#  )  2.7  3.9  3.9 ! P13    F17    
assign (resi   13  and name HB#  ) (resi   18  and name HG   )  3.2  2.3  2.3 ! P13    
assign (resi   13  and name HB#  ) (resi   18  and name HD2# )  2.2  3.1  3.1 ! P13    L18    
assign (resi   13  and name HB#  ) (resi   61  and name HD#  )  2.7  4.7  5.3 ! P13    K61    
assign (resi   13  and name HG#  ) (resi   13  and name HD2  )  2.9  2.0  2.0 ! P13    
assign (resi   13  and name HG#  ) (resi   14  and name HN   )  3.5  2.5  2.5 ! P13    
assign (resi   13  and name HG#  ) (resi   62  and name HB#  )  2.5  3.3  3.3 ! P13    A62    
assign (resi   13  and name HG#  ) (resi   65  and name HD1# )  2.5  3.3  3.3 ! P13    L65    
assign (resi   13  and name HG#  ) (resi   65  and name HD2# )  3.0  3.6  3.6 ! P13    L65    
assign (resi   13  and name HD1  ) (resi   13  and name HD2  )  2.5  0.8  0.8
assign (resi   13  and name HD1  ) (resi   62  and name HB#  )  4.2  3.7  3.3 !        A62    
assign (resi   13  and name HD1  ) (resi   65  and name HD2# )  3.1  4.6  4.4 !        L65    
assign (resi   13  and name HD2  ) (resi   65  and name HD1# )  3.9  3.4  3.4 !        L65    


! S14
assign (resi   14  and name HA   ) (resi   14  and name HB#  )  2.6  1.9  1.9 !        S14    
assign (resi   14  and name HA   ) (resi   14  and name HN   )  2.8  1.0  1.0
assign (resi   14  and name HA   ) (resi   15  and name HN   )  2.4  0.7  0.7
assign (resi   14  and name HA   ) (resi   62  and name HB#  )  2.7  2.4  2.4 !        A62    
assign (resi   14  and name HB#  ) (resi   14  and name HN   )  3.1  2.2  2.2 ! S14    
assign (resi   14  and name HB#  ) (resi   17  and name HN   )  3.9  2.9  2.9 ! S14    
assign (resi   14  and name HN   ) (resi   15  and name HN   )  3.3  1.4  1.4
assign (resi   14  and name HN   ) (resi   17  and name HA   )  4.6  2.6  1.4
assign (resi   14  and name HN   ) (resi   17  and name HB1  )  3.0  1.1  1.1
assign (resi   14  and name HN   ) (resi   17  and name HB2  )  3.4  1.5  1.5
assign (resi   14  and name HN   ) (resi   17  and name HN   )  3.3  1.4  1.4


! A15
assign (resi   15  and name HA   ) (resi   15  and name HB#  )  2.6  2.4  2.4 !        A15    
assign (resi   15  and name HA   ) (resi   15  and name HN   )  2.4  0.7  0.7
assign (resi   15  and name HA   ) (resi   16  and name HN   )  3.4  1.4  1.4
assign (resi   15  and name HA   ) (resi   18  and name HG   )  2.8  1.0  1.0
assign (resi   15  and name HA   ) (resi   47  and name HH2  )  3.9  1.9  1.9
assign (resi   15  and name HA   ) (resi   58  and name HD#  )  3.8  3.8  3.8 !        Y58    
assign (resi   15  and name HA   ) (resi   58  and name HN   )  5.0  3.2  1.0
assign (resi   15  and name HA   ) (resi   59  and name HA   )  2.4  0.7  0.7
assign (resi   15  and name HA   ) (resi   61  and name HG#  )  2.8  3.8  4.2 !        K61    
assign (resi   15  and name HB#  ) (resi   15  and name HN   )  2.5  2.3  2.3 ! A15    
assign (resi   15  and name HB#  ) (resi   16  and name HN   )  2.8  2.5  2.5 ! A15    
assign (resi   15  and name HB#  ) (resi   47  and name HE1  )  3.9  3.4  3.4 ! A15    
assign (resi   15  and name HB#  ) (resi   47  and name HZ2  )  2.8  2.5  2.5 ! A15    
assign (resi   15  and name HB#  ) (resi   47  and name HH2  )  2.6  2.3  2.3 ! A15    
assign (resi   15  and name HB#  ) (resi   58  and name HD#  )  3.4  4.9  4.9 ! A15    Y58    
assign (resi   15  and name HB#  ) (resi   58  and name HN   )  4.0  3.5  3.5 ! A15    
assign (resi   15  and name HB#  ) (resi   59  and name HA   )  2.6  2.3  2.3 ! A15    
assign (resi   15  and name HB#  ) (resi   59  and name HB2  )  3.3  2.9  2.9 ! A15    
assign (resi   15  and name HB#  ) (resi   59  and name HG1  )  3.7  3.3  3.3 ! A15    
assign (resi   15  and name HB#  ) (resi   59  and name HG2  )  3.8  3.3  3.3 ! A15    
assign (resi   15  and name HB#  ) (resi   59  and name HN   )  3.3  2.8  2.8 ! A15    
assign (resi   15  and name HN   ) (resi   16  and name HN   )  3.0  1.1  1.1
assign (resi   15  and name HN   ) (resi   59  and name HA   )  3.7  1.7  1.7
assign (resi   15  and name HN   ) (resi   61  and name HD#  )  4.6  3.6  2.4 !        K61    


! F16
assign (resi   16  and name HA   ) (resi   16  and name HB1  )  2.7  0.9  0.9
assign (resi   16  and name HA   ) (resi   16  and name HB2  )  2.6  0.8  0.8
assign (resi   16  and name HA   ) (resi   16  and name HN   )  3.3  1.4  1.4
assign (resi   16  and name HB1  ) (resi   16  and name HD#  )  2.6  2.9  2.9 !        F16    
assign (resi   16  and name HB1  ) (resi   16  and name HE#  )  4.2  5.3  4.8 !        F16    
assign (resi   16  and name HB1  ) (resi   16  and name HN   )  2.6  0.8  0.8
assign (resi   16  and name HB1  ) (resi   17  and name HN   )  2.9  1.1  1.1
assign (resi   16  and name HB1  ) (resi   19  and name HN   )  4.0  2.0  2.0
assign (resi   16  and name HB1  ) (resi   47  and name HE1  )  4.3  2.3  1.7
assign (resi   16  and name HB2  ) (resi   16  and name HD#  )  3.1  3.2  3.2 !        F16    
assign (resi   16  and name HB2  ) (resi   16  and name HE#  )  3.7  4.8  4.8 !        F16    
assign (resi   16  and name HB2  ) (resi   18  and name HN   )  3.8  1.8  1.8
assign (resi   16  and name HB2  ) (resi   19  and name HN   )  4.0  2.0  2.0
assign (resi   16  and name HD#  ) (resi   16  and name HE#  )  2.3  5.7  5.7 ! F16    F16    
assign (resi   16  and name HD#  ) (resi   16  and name HZ   )  3.4  3.4  3.4 ! F16    
assign (resi   16  and name HD#  ) (resi   16  and name HN   )  4.5  4.6  3.5 ! F16    
assign (resi   16  and name HD#  ) (resi   17  and name HN   )  4.4  4.4  3.6 ! F16    
assign (resi   16  and name HD#  ) (resi   19  and name HB2  )  4.1  4.1  3.9 ! F16    
assign (resi   16  and name HD#  ) (resi   19  and name HD#  )  3.2  5.3  5.3 ! F16    F19    
assign (resi   16  and name HD#  ) (resi   47  and name HB#  )  3.2  4.3  4.3 ! F16    W47    
assign (resi   16  and name HD#  ) (resi   47  and name HD1  )  3.2  3.3  3.3 ! F16    
assign (resi   16  and name HD#  ) (resi   47  and name HE1  )  4.0  4.0  4.0 ! F16    
assign (resi   16  and name HD#  ) (resi   47  and name HE3  )  3.5  3.6  3.6 ! F16    
assign (resi   16  and name HE#  ) (resi   43  and name HB2  )  3.2  4.3  4.3 ! F16    
assign (resi   16  and name HE#  ) (resi   47  and name HD1  )  3.5  4.5  4.5 ! F16    
assign (resi   16  and name HE#  ) (resi   47  and name HN   )  4.0  5.0  5.0 ! F16    
assign (resi   16  and name HZ   ) (resi   19  and name HD#  )  4.1  4.1  3.9 !        F19    
assign (resi   16  and name HZ   ) (resi   44  and name HA1  )  3.5  1.6  1.6
assign (resi   16  and name HZ   ) (resi   44  and name HN   )  3.8  1.9  1.9
assign (resi   16  and name HN   ) (resi   17  and name HN   )  3.1  1.2  1.2
assign (resi   16  and name HN   ) (resi   47  and name HE1  )  5.0  3.1  1.0
assign (resi   16  and name HN   ) (resi   47  and name HZ2  )  4.0  2.0  2.0
assign (resi   16  and name HN   ) (resi   47  and name HH2  )  4.0  2.0  2.0


! F17
assign (resi   17  and name HA   ) (resi   17  and name HB1  )  2.8  1.0  1.0
assign (resi   17  and name HA   ) (resi   17  and name HB2  )  2.7  0.9  0.9
assign (resi   17  and name HA   ) (resi   17  and name HD#  )  2.9  3.1  3.1 !        F17    
assign (resi   17  and name HA   ) (resi   17  and name HN   )  3.1  1.2  1.2
assign (resi   17  and name HA   ) (resi   18  and name HN   )  3.5  1.5  1.5
assign (resi   17  and name HA   ) (resi   20  and name HB1  )  3.0  1.1  1.1
assign (resi   17  and name HB1  ) (resi   17  and name HD#  )  2.4  2.7  2.7 !        F17    
assign (resi   17  and name HB1  ) (resi   17  and name HN   )  2.9  1.1  1.1
assign (resi   17  and name HB1  ) (resi   18  and name HN   )  3.0  1.1  1.1
assign (resi   17  and name HB2  ) (resi   17  and name HD#  )  3.0  3.1  3.1 !        F17    
assign (resi   17  and name HB2  ) (resi   17  and name HN   )  2.8  1.0  1.0
assign (resi   17  and name HB2  ) (resi   18  and name HN   )  3.9  1.9  1.9
assign (resi   17  and name HD#  ) (resi   17  and name HE#  )  2.0  5.5  5.5 ! F17    F17    
assign (resi   17  and name HD#  ) (resi   17  and name HZ   )  3.6  3.6  3.6 ! F17    
assign (resi   17  and name HD#  ) (resi   17  and name HN   )  4.2  4.2  3.8 ! F17    
assign (resi   17  and name HD#  ) (resi   18  and name HA   )  3.0  3.1  3.1 ! F17    
assign (resi   17  and name HD#  ) (resi   18  and name HD2# )  2.9  4.5  4.5 ! F17    L18    
assign (resi   17  and name HD#  ) (resi   18  and name HN   )  4.0  4.0  4.0 ! F17    
assign (resi   17  and name HD#  ) (resi   21  and name HB#  )  2.7  3.9  3.9 ! F17    S21    
assign (resi   17  and name HE#  ) (resi   18  and name HD2# )  2.9  7.4  7.6 ! F17    L18    
assign (resi   17  and name HN   ) (resi   18  and name HN   )  2.9  1.0  1.0


! L18
assign (resi   18  and name HA   ) (resi   18  and name HG   )  3.5  1.5  1.5
assign (resi   18  and name HA   ) (resi   18  and name HD2# )  2.7  2.4  2.4 !        L18    
assign (resi   18  and name HA   ) (resi   18  and name HN   )  2.8  1.0  1.0
assign (resi   18  and name HA   ) (resi   19  and name HN   )  3.6  1.6  1.6
assign (resi   18  and name HA   ) (resi   20  and name HB1  )  3.3  3.3  2.7
assign (resi   18  and name HA   ) (resi   58  and name HE#  )  2.9  5.9  6.1 !        Y58    
assign (resi   18  and name HA   ) (resi   61  and name HD#  )  2.0  3.0  5.0 !        K61    
assign (resi   18  and name HB1  ) (resi   18  and name HD1# )  2.9  2.5  2.5 !        L18    
assign (resi   18  and name HB1  ) (resi   18  and name HD2# )  3.2  2.8  2.8 !        L18    
assign (resi   18  and name HB1  ) (resi   18  and name HN   )  3.8  1.8  1.8
assign (resi   18  and name HB1  ) (resi   19  and name HN   )  4.0  2.0  2.0
assign (resi   18  and name HB1  ) (resi   22  and name HG1  )  2.0  2.0  4.0
assign (resi   18  and name HB1  ) (resi   22  and name HN   )  3.5  1.6  1.6
assign (resi   18  and name HB1  ) (resi   23  and name HN   )  3.9  3.9  2.1
assign (resi   18  and name HB1  ) (resi   65  and name HD1# )  3.6  5.1  3.9 !        L65    
assign (resi   18  and name HB2  ) (resi   18  and name HG   )  2.5  0.8  0.8
assign (resi   18  and name HB2  ) (resi   18  and name HD1# )  3.2  2.8  2.8 !        L18    
assign (resi   18  and name HB2  ) (resi   18  and name HD2# )  2.5  2.3  2.3 !        L18    
assign (resi   18  and name HB2  ) (resi   58  and name HD#  )  2.8  3.0  3.0 !        Y58    
assign (resi   18  and name HB2  ) (resi   58  and name HE#  )  3.5  4.6  4.6 !        Y58    
assign (resi   18  and name HG   ) (resi   18  and name HN   )  3.6  1.6  1.6
assign (resi   18  and name HG   ) (resi   58  and name HD#  )  3.5  3.6  3.6 !        Y58    
assign (resi   18  and name HG   ) (resi   59  and name HA   )  3.5  3.5  2.5
assign (resi   18  and name HG   ) (resi   61  and name HB#  )  3.9  2.9  2.9 !        K61    
assign (resi   18  and name HG   ) (resi   61  and name HG#  )  2.7  1.9  1.9 !        K61    
assign (resi   18  and name HG   ) (resi   61  and name HD#  )  2.7  1.9  1.9 !        K61    
assign (resi   18  and name HG   ) (resi   62  and name HA   )  2.7  0.9  0.9
assign (resi   18  and name HG   ) (resi   62  and name HB#  )  2.5  2.3  2.3 !        A62    
assign (resi   18  and name HG   ) (resi   62  and name HN   )  3.2  1.3  1.3
assign (resi   18  and name HD1# ) (resi   19  and name HN   )  4.7  4.2  2.8 ! L18    
assign (resi   18  and name HD1# ) (resi   61  and name HB#  )  3.5  4.0  4.0 ! L18    K61    
assign (resi   18  and name HD1# ) (resi   62  and name HN   )  4.0  3.5  3.5 ! L18    
assign (resi   18  and name HD2# ) (resi   19  and name HA   )  3.7  5.2  3.8 ! L18    
assign (resi   18  and name HD2# ) (resi   58  and name HD#  )  3.7  5.2  5.2 ! L18    Y58    
assign (resi   18  and name HD2# ) (resi   61  and name HB#  )  2.8  5.3  5.7 ! L18    K61    
assign (resi   18  and name HD2# ) (resi   61  and name HG#  )  3.5  4.0  4.0 ! L18    K61    
assign (resi   18  and name HD2# ) (resi   61  and name HN   )  4.5  4.0  3.0 ! L18    
assign (resi   18  and name HD2# ) (resi   62  and name HB#  )  2.5  3.8  3.8 ! L18    A62    
assign (resi   18  and name HD2# ) (resi   65  and name HB2  )  2.1  3.6  5.4 ! L18    
assign (resi   18  and name HN   ) (resi   19  and name HB2  )  3.3  3.3  2.7
assign (resi   18  and name HN   ) (resi   19  and name HN   )  2.6  0.9  0.9


! F19
assign (resi   19  and name HA   ) (resi   19  and name HD#  )  2.7  2.9  2.9 !        F19    
assign (resi   19  and name HA   ) (resi   19  and name HN   )  3.0  1.1  1.1
assign (resi   19  and name HB1  ) (resi   19  and name HD#  )  2.7  2.9  2.9 !        F19    
assign (resi   19  and name HB1  ) (resi   19  and name HN   )  2.9  1.0  1.0
assign (resi   19  and name HB1  ) (resi   47  and name HE3  )  3.3  1.4  1.4
assign (resi   19  and name HB2  ) (resi   19  and name HD#  )  3.1  3.2  3.2 !        F19    
assign (resi   19  and name HB2  ) (resi   19  and name HN   )  2.9  1.0  1.0
assign (resi   19  and name HB2  ) (resi   47  and name HE3  )  3.4  1.4  1.4
assign (resi   19  and name HD#  ) (resi   19  and name HE#  )  2.6  5.8  5.8 ! F19    F19    
assign (resi   19  and name HD#  ) (resi   19  and name HZ   )  3.4  3.5  3.5 ! F19    
assign (resi   19  and name HD#  ) (resi   19  and name HN   )  4.4  4.4  3.6 ! F19    
assign (resi   19  and name HD#  ) (resi   20  and name HN   )  3.8  3.8  3.8 ! F19    
assign (resi   19  and name HD#  ) (resi   22  and name HN   )  3.8  3.8  3.8 ! F19    
assign (resi   19  and name HD#  ) (resi   23  and name HD#  )  3.4  5.4  5.4 ! F19    Y23    
assign (resi   19  and name HD#  ) (resi   43  and name HD2# )  3.0  4.6  4.6 ! F19    L43    
assign (resi   19  and name HD#  ) (resi   46  and name HG1  )  4.4  4.5  3.6 ! F19    
assign (resi   19  and name HD#  ) (resi   47  and name HE3  )  3.2  3.3  3.3 ! F19    
assign (resi   19  and name HD#  ) (resi   47  and name HZ3  )  3.5  3.6  3.6 ! F19    
assign (resi   19  and name HD#  ) (resi   47  and name HN   )  3.9  3.9  3.9 ! F19    
assign (resi   19  and name HD#  ) (resi   58  and name HD#  )  4.5  6.5  5.5 ! F19    Y58    
assign (resi   19  and name HD#  ) (resi   58  and name HE#  )  2.9  6.0  6.0 ! F19    Y58    
assign (resi   19  and name HE#  ) (resi   19  and name HZ   )  2.8  4.0  4.0 ! F19    
assign (resi   19  and name HE#  ) (resi   23  and name HB2  )  2.9  4.1  4.1 ! F19    
assign (resi   19  and name HE#  ) (resi   23  and name HE#  )  3.0  7.1  7.1 ! F19    Y23    
assign (resi   19  and name HE#  ) (resi   47  and name HN   )  3.3  4.4  4.4 ! F19    
assign (resi   19  and name HZ   ) (resi   46  and name HB1  )  3.7  1.7  1.7
assign (resi   19  and name HZ   ) (resi   46  and name HB2  )  3.1  1.2  1.2
assign (resi   19  and name HZ   ) (resi   47  and name HN   )  5.0  3.1  1.0
assign (resi   19  and name HN   ) (resi   20  and name HN   )  3.1  1.2  1.2
assign (resi   19  and name HN   ) (resi   58  and name HD#  )  3.5  3.6  3.6 !        Y58    


! C20
assign (resi   20  and name HA   ) (resi   20  and name HB1  )  3.1  1.2  1.2
assign (resi   20  and name HA   ) (resi   20  and name HN   )  3.0  1.1  1.1
assign (resi   20  and name HA   ) (resi   21  and name HN   )  3.4  1.4  1.4
assign (resi   20  and name HA   ) (resi   23  and name HN   )  3.4  1.4  1.4
assign (resi   20  and name HA   ) (resi   24  and name HN   )  3.8  3.8  2.2
assign (resi   20  and name HA   ) (resi   43  and name HD1# )  2.8  2.5  2.5 !        L43    
assign (resi   20  and name HA   ) (resi   43  and name HD2# )  2.9  2.6  2.6 !        L43    
assign (resi   20  and name HB1  ) (resi   20  and name HN   )  3.0  1.1  1.1
assign (resi   20  and name HB1  ) (resi   21  and name HN   )  3.1  1.2  1.2
assign (resi   20  and name HB2  ) (resi   20  and name HN   )  2.9  1.1  1.1
assign (resi   20  and name HB2  ) (resi   21  and name HA   )  3.8  1.8  1.8
assign (resi   20  and name HB2  ) (resi   21  and name HN   )  3.8  1.8  1.8
assign (resi   20  and name HN   ) (resi   21  and name HB#  )  4.3  3.3  2.7 !        S21    
assign (resi   20  and name HN   ) (resi   21  and name HN   )  3.0  1.1  1.1
assign (resi   20  and name HN   ) (resi   22  and name HN   )  4.1  2.1  1.9
assign (resi   20  and name HN   ) (resi   24  and name HG#  )  3.2  4.2  3.8 !        R24    


! S21
assign (resi   21  and name HA   ) (resi   21  and name HN   )  2.5  0.8  0.8
assign (resi   21  and name HA   ) (resi   22  and name HN   )  3.0  1.1  1.1
assign (resi   21  and name HA   ) (resi   23  and name HN   )  3.8  1.8  1.8
assign (resi   21  and name HB#  ) (resi   21  and name HN   )  2.8  2.0  2.0 ! S21    
assign (resi   21  and name HB#  ) (resi   22  and name HG1  )  3.5  2.5  2.5 ! S21    
assign (resi   21  and name HB#  ) (resi   22  and name HN   )  3.2  2.3  2.3 ! S21    
assign (resi   21  and name HN   ) (resi   22  and name HA   )  3.7  1.8  1.8
assign (resi   21  and name HN   ) (resi   22  and name HN   )  2.8  1.0  1.0
assign (resi   21  and name HN   ) (resi   24  and name HG#  )  3.8  2.8  2.8 !        R24    


! E22
assign (resi   22  and name HA   ) (resi   22  and name HB1  )  2.7  0.9  0.9
assign (resi   22  and name HA   ) (resi   22  and name HB2  )  2.9  1.0  1.0
assign (resi   22  and name HA   ) (resi   22  and name HG1  )  3.1  1.2  1.2
assign (resi   22  and name HA   ) (resi   22  and name HG2  )  2.7  0.9  0.9
assign (resi   22  and name HA   ) (resi   22  and name HN   )  2.8  0.9  0.9
assign (resi   22  and name HA   ) (resi   24  and name HN   )  3.4  1.5  1.5
assign (resi   22  and name HB1  ) (resi   23  and name HN   )  3.6  1.7  1.7
assign (resi   22  and name HB1  ) (resi   58  and name HE#  )  2.6  5.6  6.4 !        Y58    
assign (resi   22  and name HB2  ) (resi   23  and name HD#  )  2.7  2.9  2.9 !        Y23    
assign (resi   22  and name HG1  ) (resi   22  and name HN   )  2.8  1.0  1.0
assign (resi   22  and name HG1  ) (resi   23  and name HE#  )  2.8  5.8  6.2 !        Y23    
assign (resi   22  and name HN   ) (resi   23  and name HD#  )  4.5  4.5  3.5 !        Y23    
assign (resi   22  and name HN   ) (resi   23  and name HN   )  2.6  0.9  0.9
assign (resi   22  and name HN   ) (resi   24  and name HD#  )  3.4  4.4  3.6 !        R24    
assign (resi   22  and name HN   ) (resi   24  and name HN   )  3.7  1.7  1.7


! Y23
assign (resi   23  and name HA   ) (resi   23  and name HD#  )  2.8  3.0  3.0 !        Y23    
assign (resi   23  and name HA   ) (resi   23  and name HE#  )  3.7  4.7  4.7 !        Y23    
assign (resi   23  and name HA   ) (resi   23  and name HN   )  2.8  1.0  1.0
assign (resi   23  and name HA   ) (resi   26  and name HB#  )  3.1  2.2  2.2 !        K26    
assign (resi   23  and name HA   ) (resi   26  and name HN   )  3.0  1.1  1.1
assign (resi   23  and name HA   ) (resi   27  and name HD1# )  3.4  4.9  4.1 !        I27    
assign (resi   23  and name HB1  ) (resi   23  and name HD#  )  2.5  2.8  2.8 !        Y23    
assign (resi   23  and name HB1  ) (resi   23  and name HE#  )  3.9  4.9  4.9 !        Y23    
assign (resi   23  and name HB1  ) (resi   43  and name HD2# )  2.7  2.4  2.4 !        L43    
assign (resi   23  and name HB2  ) (resi   23  and name HD#  )  3.1  3.2  3.2 !        Y23    
assign (resi   23  and name HB2  ) (resi   23  and name HE#  )  4.4  5.4  4.6 !        Y23    
assign (resi   23  and name HB2  ) (resi   23  and name HN   )  2.7  0.9  0.9
assign (resi   23  and name HD#  ) (resi   23  and name HE#  )  1.9  5.4  5.4 ! Y23    Y23    
assign (resi   23  and name HD#  ) (resi   23  and name HN   )  2.8  3.0  3.0 ! Y23    
assign (resi   23  and name HD#  ) (resi   26  and name HB#  )  2.6  3.9  3.9 ! Y23    K26    
assign (resi   23  and name HD#  ) (resi   27  and name HD1# )  2.8  6.3  6.7 ! Y23    I27    
assign (resi   23  and name HE#  ) (resi   26  and name HB#  )  3.3  7.3  6.7 ! Y23    K26    
assign (resi   23  and name HE#  ) (resi   26  and name HD#  )  3.7  5.8  5.8 ! Y23    K26    
assign (resi   23  and name HE#  ) (resi   58  and name HE#  )  3.1  7.2  7.2 ! Y23    Y58    
assign (resi   23  and name HN   ) (resi   24  and name HN   )  3.0  1.1  1.1
assign (resi   23  and name HN   ) (resi   43  and name HD1# )  3.0  4.5  4.5 !        L43    


! R24
assign (resi   24  and name HA   ) (resi   24  and name HB#  )  2.7  1.9  1.9 !        R24    
assign (resi   24  and name HA   ) (resi   24  and name HN   )  3.0  1.2  1.2
assign (resi   24  and name HA   ) (resi   27  and name HG2# )  4.4  3.9  3.1 !        I27    
assign (resi   24  and name HA   ) (resi   27  and name HD1# )  2.8  2.5  2.5 !        I27    
assign (resi   24  and name HA   ) (resi   28  and name HN   )  3.5  3.5  2.5
assign (resi   24  and name HA   ) (resi   43  and name HD1# )  2.9  2.6  2.6 !        L43    
assign (resi   24  and name HA   ) (resi   43  and name HD2# )  3.0  2.6  2.6 !        L43    
assign (resi   24  and name HB#  ) (resi   24  and name HD#  )  2.9  3.1  3.1 ! R24    R24    
assign (resi   24  and name HB#  ) (resi   24  and name HN   )  2.7  1.9  1.9 ! R24    
assign (resi   24  and name HB#  ) (resi   25  and name HA   )  3.3  2.4  2.4 ! R24    
assign (resi   24  and name HB#  ) (resi   27  and name HD1# )  2.9  5.4  5.6 ! R24    I27    
assign (resi   24  and name HB#  ) (resi   39  and name HG2# )  3.1  3.7  3.7 ! R24    T39    
assign (resi   24  and name HG#  ) (resi   24  and name HD#  )  2.8  3.0  3.0 ! R24    R24    
assign (resi   24  and name HG#  ) (resi   39  and name HG2# )  2.9  3.6  3.6 ! R24    T39    
assign (resi   24  and name HD#  ) (resi   28  and name HD#  )  2.6  4.6  5.4 ! R24    K28    
assign (resi   24  and name HN   ) (resi   25  and name HG#  )  4.5  3.5  2.5 !        P25    
assign (resi   24  and name HN   ) (resi   25  and name HD#  )  2.8  2.0  2.0 !        P25    
assign (resi   24  and name HN   ) (resi   28  and name HD#  )  3.1  4.1  3.9 !        K28    


! P25
assign (resi   25  and name HA   ) (resi   25  and name HB1  )  2.7  0.9  0.9
assign (resi   25  and name HA   ) (resi   25  and name HB2  )  2.6  0.8  0.8
assign (resi   25  and name HA   ) (resi   26  and name HN   )  3.6  1.6  1.6
assign (resi   25  and name HA   ) (resi   28  and name HB#  )  3.0  2.1  2.1 !        K28    
assign (resi   25  and name HA   ) (resi   28  and name HN   )  3.8  1.8  1.8
assign (resi   25  and name HB1  ) (resi   25  and name HB2  )  2.1  0.5  0.5
assign (resi   25  and name HB1  ) (resi   25  and name HD#  )  3.4  2.4  2.4 !        P25    
assign (resi   25  and name HB1  ) (resi   26  and name HN   )  3.9  1.9  1.9
assign (resi   25  and name HG#  ) (resi   25  and name HD#  )  2.9  3.1  3.1 ! P25    P25    


! K26
assign (resi   26  and name HA   ) (resi   26  and name HD#  )  2.7  1.9  1.9 !        K26    
assign (resi   26  and name HA   ) (resi   26  and name HE#  )  2.4  3.4  4.6 !        K26    
assign (resi   26  and name HA   ) (resi   26  and name HN   )  2.9  1.1  1.1
assign (resi   26  and name HA   ) (resi   27  and name HN   )  3.2  1.3  1.3
assign (resi   26  and name HA   ) (resi   28  and name HD#  )  2.5  3.5  4.5 !        K28    
assign (resi   26  and name HB#  ) (resi   26  and name HN   )  2.6  1.9  1.9 ! K26    
assign (resi   26  and name HB#  ) (resi   27  and name HD1# )  2.3  3.2  3.2 ! K26    I27    
assign (resi   26  and name HB#  ) (resi   27  and name HN   )  2.4  1.7  1.7 ! K26    
assign (resi   26  and name HB#  ) (resi   28  and name HG#  )  3.2  5.2  4.8 ! K26    K28    
assign (resi   26  and name HB#  ) (resi   28  and name HD#  )  3.3  5.3  4.7 ! K26    K28    
assign (resi   26  and name HB#  ) (resi   43  and name HD2# )  2.8  5.3  5.7 ! K26    L43    
assign (resi   26  and name HD#  ) (resi   27  and name HA   )  3.4  4.4  3.6 ! K26    
assign (resi   26  and name HD#  ) (resi   27  and name HD1# )  2.8  5.3  5.7 ! K26    I27    
assign (resi   26  and name HE#  ) (resi   28  and name HG#  )  1.7  3.7  6.3 ! K26    K28    
assign (resi   26  and name HN   ) (resi   27  and name HN   )  2.6  0.9  0.9
assign (resi   26  and name HN   ) (resi   28  and name HD#  )  3.4  2.4  2.4 !        K28    
assign (resi   26  and name HN   ) (resi   28  and name HN   )  3.9  1.9  1.9
assign (resi   26  and name HN   ) (resi   29  and name HB#  )  3.2  4.2  3.8 !        S29    


! I27
assign (resi   27  and name HA   ) (resi   27  and name HG2# )  2.4  2.2  2.2 !        I27    
assign (resi   27  and name HA   ) (resi   27  and name HD1# )  3.3  2.9  2.9 !        I27    
assign (resi   27  and name HA   ) (resi   28  and name HN   )  2.9  1.0  1.0
assign (resi   27  and name HA   ) (resi   31  and name HE1  )  2.6  0.8  0.8
assign (resi   27  and name HB   ) (resi   27  and name HG2# )  2.1  2.1  2.1 !        I27    
assign (resi   27  and name HB   ) (resi   27  and name HD1# )  3.2  2.8  2.8 !        I27    
assign (resi   27  and name HB   ) (resi   28  and name HN   )  3.3  1.3  1.3
assign (resi   27  and name HB   ) (resi   29  and name HN   )  4.1  2.1  1.9
assign (resi   27  and name HG11 ) (resi   27  and name HG12 )  1.5  0.3  0.7
assign (resi   27  and name HG11 ) (resi   27  and name HG2# )  2.8  2.5  2.5 !        I27    
assign (resi   27  and name HG11 ) (resi   27  and name HD1# )  2.3  2.2  2.2 !        I27    
assign (resi   27  and name HG11 ) (resi   34  and name HD1# )  2.5  2.3  2.3 !        L34    
assign (resi   27  and name HG11 ) (resi   34  and name HD2# )  2.4  2.2  2.2 !        L34    
assign (resi   27  and name HG12 ) (resi   27  and name HG2# )  3.1  2.7  2.7 !        I27    
assign (resi   27  and name HG12 ) (resi   27  and name HD1# )  2.3  2.1  2.1 !        I27    
assign (resi   27  and name HG12 ) (resi   27  and name HN   )  2.8  1.0  1.0
assign (resi   27  and name HG12 ) (resi   28  and name HN   )  2.3  2.3  3.7
assign (resi   27  and name HG12 ) (resi   31  and name HB2  )  2.4  2.4  3.6
assign (resi   27  and name HG12 ) (resi   39  and name HG2# )  2.8  2.5  2.5 !        T39    
assign (resi   27  and name HG2# ) (resi   27  and name HD1# )  1.9  3.4  3.4 ! I27    I27    
assign (resi   27  and name HG2# ) (resi   27  and name HN   )  3.3  2.9  2.9 ! I27    
assign (resi   27  and name HG2# ) (resi   28  and name HB#  )  3.9  4.4  4.4 ! I27    K28    
assign (resi   27  and name HG2# ) (resi   28  and name HN   )  4.4  4.0  3.1 ! I27    
assign (resi   27  and name HG2# ) (resi   31  and name HB1  )  3.8  3.3  3.3 ! I27    
assign (resi   27  and name HG2# ) (resi   31  and name HB2  )  3.7  3.2  3.2 ! I27    
assign (resi   27  and name HG2# ) (resi   31  and name HE1  )  2.6  2.3  2.3 ! I27    
assign (resi   27  and name HG2# ) (resi   31  and name HN   )  4.5  4.0  3.0 ! I27    
assign (resi   27  and name HG2# ) (resi   34  and name HB1  )  3.3  4.8  4.2 ! I27    
assign (resi   27  and name HG2# ) (resi   34  and name HD1# )  3.2  4.2  4.2 ! I27    L34    
assign (resi   27  and name HG2# ) (resi   34  and name HD2# )  2.8  4.0  4.0 ! I27    L34    
assign (resi   27  and name HG2# ) (resi   39  and name HG2# )  4.3  5.3  4.7 ! I27    T39    
assign (resi   27  and name HG2# ) (resi   42  and name HG#  )  2.5  3.3  3.3 ! I27    K42    
assign (resi   27  and name HD1# ) (resi   27  and name HN   )  2.9  2.5  2.5 ! I27    
assign (resi   27  and name HD1# ) (resi   31  and name HE1  )  4.3  3.8  3.2 ! I27    
assign (resi   27  and name HD1# ) (resi   38  and name HB1  )  3.6  5.1  3.9 ! I27    
assign (resi   27  and name HD1# ) (resi   42  and name HA   )  3.7  3.2  3.2 ! I27    
assign (resi   27  and name HD1# ) (resi   42  and name HB#  )  3.0  3.6  3.6 ! I27    K42    
assign (resi   27  and name HD1# ) (resi   42  and name HG#  )  2.7  5.2  5.8 ! I27    K42    
assign (resi   27  and name HD1# ) (resi   43  and name HA   )  3.3  2.9  2.9 ! I27    
assign (resi   27  and name HN   ) (resi   28  and name HB#  )  4.5  3.5  2.5 !        K28    
assign (resi   27  and name HN   ) (resi   28  and name HD#  )  3.5  2.6  2.6 !        K28    
assign (resi   27  and name HN   ) (resi   28  and name HN   )  2.5  0.8  0.8
assign (resi   27  and name HN   ) (resi   29  and name HB#  )  2.5  3.5  4.5 !        S29    
assign (resi   27  and name HN   ) (resi   29  and name HN   )  3.7  1.7  1.7


! K28
assign (resi   28  and name HA   ) (resi   28  and name HB#  )  2.2  1.6  1.6 !        K28    
assign (resi   28  and name HA   ) (resi   28  and name HG#  )  3.4  2.4  2.4 !        K28    
assign (resi   28  and name HA   ) (resi   29  and name HN   )  2.9  1.1  1.1
assign (resi   28  and name HA   ) (resi   39  and name HG2# )  3.9  3.4  3.4 !        T39    
assign (resi   28  and name HB#  ) (resi   28  and name HG#  )  2.5  2.8  2.8 ! K28    K28    
assign (resi   28  and name HB#  ) (resi   28  and name HE#  )  2.9  3.1  3.1 ! K28    K28    
assign (resi   28  and name HB#  ) (resi   28  and name HN   )  2.5  1.8  1.8 ! K28    
assign (resi   28  and name HB#  ) (resi   29  and name HN   )  3.0  2.1  2.1 ! K28    
assign (resi   28  and name HB#  ) (resi   39  and name HA   )  4.0  3.0  3.0 ! K28    
assign (resi   28  and name HG#  ) (resi   28  and name HE#  )  2.9  3.0  3.0 ! K28    K28    
assign (resi   28  and name HG#  ) (resi   28  and name HN   )  2.7  1.9  1.9 ! K28    
assign (resi   28  and name HD#  ) (resi   28  and name HN   )  3.5  2.6  2.6 ! K28    
assign (resi   28  and name HD#  ) (resi   29  and name HN   )  3.2  4.2  3.8 ! K28    
assign (resi   28  and name HE#  ) (resi   34  and name HD1# )  3.3  3.9  3.9 ! K28    L34    
assign (resi   28  and name HE#  ) (resi   36  and name HA   )  2.8  2.0  2.0 ! K28    
assign (resi   28  and name HN   ) (resi   29  and name HN   )  2.6  0.8  0.8


! S29
assign (resi   29  and name HA   ) (resi   29  and name HB#  )  2.2  1.6  1.6 !        S29    
assign (resi   29  and name HA   ) (resi   29  and name HN   )  2.8  1.0  1.0
assign (resi   29  and name HA   ) (resi   30  and name HB2  )  3.7  3.7  2.3
assign (resi   29  and name HA   ) (resi   30  and name HN   )  3.5  1.6  1.6
assign (resi   29  and name HA   ) (resi   31  and name HN   )  4.0  2.0  2.0
assign (resi   29  and name HB#  ) (resi   29  and name HN   )  2.5  1.8  1.8 ! S29    
assign (resi   29  and name HB#  ) (resi   30  and name HG1  )  3.0  2.1  2.1 ! S29    
assign (resi   29  and name HB#  ) (resi   30  and name HG2  )  3.3  2.4  2.4 ! S29    
assign (resi   29  and name HB#  ) (resi   30  and name HN   )  2.9  2.0  2.0 ! S29    
assign (resi   29  and name HN   ) (resi   30  and name HB2  )  4.7  2.7  1.3
assign (resi   29  and name HN   ) (resi   30  and name HG2  )  3.3  1.4  1.4
assign (resi   29  and name HN   ) (resi   30  and name HN   )  2.5  0.8  0.8
assign (resi   29  and name HN   ) (resi   31  and name HN   )  3.8  1.8  1.8


! E30
assign (resi   30  and name HA   ) (resi   30  and name HB1  )  2.7  0.9  0.9
assign (resi   30  and name HA   ) (resi   30  and name HB2  )  2.6  0.9  0.9
assign (resi   30  and name HA   ) (resi   30  and name HN   )  2.8  0.9  0.9
assign (resi   30  and name HA   ) (resi   31  and name HE1  )  3.9  1.9  1.9
assign (resi   30  and name HA   ) (resi   31  and name HN   )  2.8  1.0  1.0
assign (resi   30  and name HA   ) (resi   32  and name HG#  )  3.1  2.2  2.2 !        P32    
assign (resi   30  and name HB1  ) (resi   30  and name HG1  )  3.0  1.1  1.1
assign (resi   30  and name HB1  ) (resi   30  and name HN   )  3.4  1.4  1.4
assign (resi   30  and name HB1  ) (resi   31  and name HE1  )  3.4  1.5  1.5
assign (resi   30  and name HB1  ) (resi   31  and name HN   )  3.7  1.7  1.7
assign (resi   30  and name HB2  ) (resi   30  and name HG1  )  2.8  1.0  1.0
assign (resi   30  and name HB2  ) (resi   30  and name HG2  )  3.2  1.3  1.3
assign (resi   30  and name HB2  ) (resi   30  and name HN   )  2.7  0.9  0.9
assign (resi   30  and name HB2  ) (resi   31  and name HE1  )  2.8  1.0  1.0
assign (resi   30  and name HB2  ) (resi   31  and name HN   )  3.6  1.6  1.6
assign (resi   30  and name HG1  ) (resi   30  and name HN   )  3.3  1.3  1.3
assign (resi   30  and name HG2  ) (resi   30  and name HN   )  3.3  1.4  1.4
assign (resi   30  and name HG2  ) (resi   31  and name HN   )  3.0  3.0  3.0
assign (resi   30  and name HN   ) (resi   31  and name HN   )  2.5  0.8  0.8


! H31
assign (resi   31  and name HA   ) (resi   31  and name HB1  )  2.5  0.8  0.8
assign (resi   31  and name HA   ) (resi   31  and name HB2  )  2.8  1.0  1.0
assign (resi   31  and name HA   ) (resi   31  and name HN   )  3.0  1.1  1.1
assign (resi   31  and name HA   ) (resi   32  and name HG#  )  4.2  3.2  2.8 !        P32    
assign (resi   31  and name HA   ) (resi   32  and name HD1  )  2.7  0.9  0.9
assign (resi   31  and name HA   ) (resi   32  and name HD2  )  2.5  0.8  0.8
assign (resi   31  and name HB1  ) (resi   31  and name HE1  )  3.6  3.6  2.4
assign (resi   31  and name HB1  ) (resi   31  and name HN   )  3.4  1.4  1.4
assign (resi   31  and name HB1  ) (resi   34  and name HD1# )  3.1  2.7  2.7 !        L34    
assign (resi   31  and name HB1  ) (resi   34  and name HD2# )  3.1  2.7  2.7 !        L34    
assign (resi   31  and name HB1  ) (resi   34  and name HN   )  4.1  2.1  1.9
assign (resi   31  and name HB2  ) (resi   31  and name HN   )  2.9  1.0  1.0
assign (resi   31  and name HB2  ) (resi   34  and name HB2  )  3.7  1.7  1.7
assign (resi   31  and name HB2  ) (resi   34  and name HD1# )  2.7  2.4  2.4 !        L34    
assign (resi   31  and name HB2  ) (resi   34  and name HD2# )  2.9  2.6  2.6 !        L34    
assign (resi   31  and name HB2  ) (resi   34  and name HN   )  5.0  3.2  1.0
assign (resi   31  and name HD2  ) (resi   31  and name HE1  )  3.8  1.8  1.8
assign (resi   31  and name HE1  ) (resi   34  and name HD1# )  2.8  4.3  4.7 !        L34    
assign (resi   31  and name HE1  ) (resi   34  and name HD2# )  2.6  4.1  4.9 !        L34    
assign (resi   31  and name HN   ) (resi   32  and name HG#  )  4.2  3.2  2.8 !        P32    
assign (resi   31  and name HN   ) (resi   32  and name HD1  )  3.0  1.1  1.1
assign (resi   31  and name HN   ) (resi   32  and name HD2  )  4.5  2.5  1.5


! P32
assign (resi   32  and name HA   ) (resi   32  and name HB1  )  2.2  0.6  0.6
assign (resi   32  and name HA   ) (resi   32  and name HB2  )  2.8  1.0  1.0
assign (resi   32  and name HA   ) (resi   32  and name HG#  )  2.8  2.0  2.0 !        P32    
assign (resi   32  and name HA   ) (resi   33  and name HN   )  2.8  1.0  1.0
assign (resi   32  and name HA   ) (resi   34  and name HD1# )  2.8  4.3  4.7 !        L34    
assign (resi   32  and name HA   ) (resi   34  and name HN   )  3.3  1.4  1.4
assign (resi   32  and name HB1  ) (resi   32  and name HG#  )  2.7  1.9  1.9 !        P32    
assign (resi   32  and name HB1  ) (resi   33  and name HA2  )  3.7  1.7  1.7
assign (resi   32  and name HB1  ) (resi   33  and name HN   )  4.3  2.3  1.7
assign (resi   32  and name HB2  ) (resi   33  and name HN   )  3.1  1.2  1.2
assign (resi   32  and name HG#  ) (resi   32  and name HD1  )  2.8  2.0  2.0 ! P32    
assign (resi   32  and name HG#  ) (resi   32  and name HD2  )  2.7  1.9  1.9 ! P32    
assign (resi   32  and name HG#  ) (resi   34  and name HN   )  4.7  3.8  2.3 ! P32    
assign (resi   32  and name HD1  ) (resi   32  and name HD2  )  2.1  0.6  0.6
assign (resi   32  and name HD1  ) (resi   33  and name HN   )  4.5  2.6  1.5
assign (resi   32  and name HD2  ) (resi   33  and name HN   )  3.6  1.6  1.6


! G33
assign (resi   33  and name HA1  ) (resi   33  and name HN   )  2.6  0.9  0.9
assign (resi   33  and name HA1  ) (resi   34  and name HD2# )  3.9  3.4  3.4 !        L34    
assign (resi   33  and name HA1  ) (resi   34  and name HN   )  3.0  1.1  1.1
assign (resi   33  and name HA2  ) (resi   33  and name HN   )  3.0  1.1  1.1
assign (resi   33  and name HA2  ) (resi   34  and name HN   )  3.7  1.7  1.7
assign (resi   33  and name HN   ) (resi   34  and name HN   )  2.8  0.9  0.9


! L34
assign (resi   34  and name HA   ) (resi   34  and name HB1  )  2.7  0.9  0.9
assign (resi   34  and name HA   ) (resi   34  and name HB2  )  2.3  0.6  0.6
assign (resi   34  and name HA   ) (resi   34  and name HD1# )  2.9  2.5  2.5 !        L34    
assign (resi   34  and name HA   ) (resi   34  and name HD2# )  3.0  2.6  2.6 !        L34    
assign (resi   34  and name HA   ) (resi   34  and name HN   )  2.7  0.9  0.9
assign (resi   34  and name HA   ) (resi   35  and name HN   )  2.3  0.6  0.6
assign (resi   34  and name HA   ) (resi   42  and name HG#  )  3.8  4.8  3.2 !        K42    
assign (resi   34  and name HB1  ) (resi   34  and name HD1# )  2.8  2.4  2.4 !        L34    
assign (resi   34  and name HB1  ) (resi   34  and name HD2# )  2.6  2.3  2.3 !        L34    
assign (resi   34  and name HB1  ) (resi   34  and name HN   )  2.7  0.9  0.9
assign (resi   34  and name HB2  ) (resi   34  and name HD1# )  2.1  2.0  2.0 !        L34    
assign (resi   34  and name HB2  ) (resi   34  and name HD2# )  2.2  2.1  2.1 !        L34    
assign (resi   34  and name HB2  ) (resi   34  and name HN   )  2.8  1.0  1.0
assign (resi   34  and name HB2  ) (resi   35  and name HN   )  3.4  1.4  1.4
assign (resi   34  and name HG   ) (resi   34  and name HD1# )  2.1  2.1  2.1 !        L34    
assign (resi   34  and name HG   ) (resi   34  and name HD2# )  2.1  2.1  2.1 !        L34    
assign (resi   34  and name HG   ) (resi   34  and name HN   )  2.4  0.7  0.7
assign (resi   34  and name HG   ) (resi   35  and name HN   )  4.3  2.4  1.7
assign (resi   34  and name HG   ) (resi   39  and name HN   )  4.5  2.6  1.5
assign (resi   34  and name HD1# ) (resi   34  and name HN   )  3.5  3.0  3.0 ! L34    
assign (resi   34  and name HD1# ) (resi   35  and name HN   )  3.5  3.0  3.0 ! L34    
assign (resi   34  and name HD1# ) (resi   36  and name HA   )  3.4  3.0  3.0 ! L34    
assign (resi   34  and name HD1# ) (resi   38  and name HB1  )  3.7  3.2  3.2 ! L34    
assign (resi   34  and name HD1# ) (resi   38  and name HB2  )  3.4  2.9  2.9 ! L34    
assign (resi   34  and name HD1# ) (resi   39  and name HB   )  3.3  2.9  2.9 ! L34    
assign (resi   34  and name HD1# ) (resi   39  and name HN   )  3.6  3.1  3.1 ! L34    
assign (resi   34  and name HD1# ) (resi   40  and name HN   )  4.6  4.2  2.9 ! L34    
assign (resi   34  and name HD2# ) (resi   34  and name HN   )  4.1  3.6  3.4 ! L34    
assign (resi   34  and name HD2# ) (resi   35  and name HN   )  4.5  4.0  3.0 ! L34    
assign (resi   34  and name HD2# ) (resi   38  and name HB1  )  2.7  2.4  2.4 ! L34    
assign (resi   34  and name HD2# ) (resi   38  and name HB2  )  3.2  2.8  2.8 ! L34    
assign (resi   34  and name HD2# ) (resi   39  and name HB   )  3.4  2.9  2.9 ! L34    
assign (resi   34  and name HD2# ) (resi   39  and name HG2# )  3.6  4.6  4.6 ! L34    T39    
assign (resi   34  and name HD2# ) (resi   42  and name HB#  )  3.0  3.6  3.6 ! L34    K42    
assign (resi   34  and name HD2# ) (resi   42  and name HN   )  4.4  3.9  3.1 ! L34    
assign (resi   34  and name HN   ) (resi   35  and name HN   )  4.3  2.3  1.7
assign (resi   34  and name HN   ) (resi   38  and name HB2  )  3.2  3.2  2.8


! S35
assign (resi   35  and name HA   ) (resi   35  and name HN   )  2.9  1.1  1.1
assign (resi   35  and name HA   ) (resi   36  and name HN   )  2.7  0.9  0.9
assign (resi   35  and name HA   ) (resi   37  and name HN   )  4.2  2.2  1.8
assign (resi   35  and name HB1  ) (resi   35  and name HB2  )  2.0  0.5  0.5
assign (resi   35  and name HB1  ) (resi   36  and name HD1# )  3.5  3.1  3.1 !        I36    
assign (resi   35  and name HB1  ) (resi   36  and name HN   )  3.3  1.4  1.4
assign (resi   35  and name HB1  ) (resi   37  and name HN   )  4.2  2.3  1.8
assign (resi   35  and name HB1  ) (resi   38  and name HN   )  4.2  2.2  1.8
assign (resi   35  and name HB2  ) (resi   35  and name HN   )  2.9  1.0  1.0
assign (resi   35  and name HB2  ) (resi   36  and name HN   )  2.9  1.1  1.1
assign (resi   35  and name HB2  ) (resi   37  and name HN   )  3.3  1.4  1.4
assign (resi   35  and name HB2  ) (resi   39  and name HN   )  3.1  3.1  2.9
assign (resi   35  and name HN   ) (resi   36  and name HN   )  4.1  2.1  1.9
assign (resi   35  and name HN   ) (resi   38  and name HA   )  4.8  2.8  1.2
assign (resi   35  and name HN   ) (resi   38  and name HB1  )  4.7  2.7  1.3
assign (resi   35  and name HN   ) (resi   38  and name HB2  )  3.0  1.2  1.2
assign (resi   35  and name HN   ) (resi   38  and name HN   )  3.8  1.8  1.8


! I36
assign (resi   36  and name HA   ) (resi   36  and name HB   )  2.6  0.9  0.9
assign (resi   36  and name HA   ) (resi   36  and name HG11 )  2.9  1.0  1.0
assign (resi   36  and name HA   ) (resi   36  and name HG12 )  3.1  1.2  1.2
assign (resi   36  and name HA   ) (resi   36  and name HG2# )  2.3  2.2  2.2 !        I36    
assign (resi   36  and name HA   ) (resi   36  and name HD1# )  2.6  2.3  2.3 !        I36    
assign (resi   36  and name HA   ) (resi   36  and name HN   )  3.0  1.1  1.1
assign (resi   36  and name HA   ) (resi   37  and name HN   )  3.0  1.1  1.1
assign (resi   36  and name HA   ) (resi   39  and name HG2# )  3.2  2.8  2.8 !        T39    
assign (resi   36  and name HA   ) (resi   39  and name HN   )  3.5  1.5  1.5
assign (resi   36  and name HA   ) (resi   40  and name HN   )  4.2  2.2  1.8
assign (resi   36  and name HB   ) (resi   36  and name HG11 )  2.9  1.0  1.0
assign (resi   36  and name HB   ) (resi   36  and name HG12 )  2.6  0.8  0.8
assign (resi   36  and name HB   ) (resi   36  and name HG2# )  2.1  2.0  2.0 !        I36    
assign (resi   36  and name HB   ) (resi   36  and name HD1# )  2.5  2.3  2.3 !        I36    
assign (resi   36  and name HB   ) (resi   36  and name HN   )  2.7  0.9  0.9
assign (resi   36  and name HB   ) (resi   37  and name HN   )  2.8  1.0  1.0
assign (resi   36  and name HG11 ) (resi   36  and name HG12 )  2.0  0.5  0.5
assign (resi   36  and name HG11 ) (resi   36  and name HG2# )  2.3  2.2  2.2 !        I36    
assign (resi   36  and name HG11 ) (resi   36  and name HD1# )  2.1  2.1  2.1 !        I36    
assign (resi   36  and name HG11 ) (resi   36  and name HN   )  3.8  1.8  1.8
assign (resi   36  and name HG11 ) (resi   37  and name HN   )  4.7  2.8  1.3
assign (resi   36  and name HG11 ) (resi   39  and name HG2# )  3.1  4.6  4.4 !        T39    
assign (resi   36  and name HG12 ) (resi   36  and name HG2# )  2.5  2.3  2.3 !        I36    
assign (resi   36  and name HG12 ) (resi   36  and name HD1# )  2.1  2.1  2.1 !        I36    
assign (resi   36  and name HG12 ) (resi   36  and name HN   )  3.1  1.2  1.2
assign (resi   36  and name HG12 ) (resi   37  and name HN   )  4.5  2.6  1.5
assign (resi   36  and name HG2# ) (resi   36  and name HN   )  3.9  3.4  3.4 ! I36    
assign (resi   36  and name HG2# ) (resi   37  and name HA#  )  2.9  3.5  3.5 ! I36    G37    
assign (resi   36  and name HG2# ) (resi   37  and name HN   )  3.3  2.8  2.8 ! I36    
assign (resi   36  and name HG2# ) (resi   39  and name HA   )  3.4  4.9  4.1 ! I36    
assign (resi   36  and name HG2# ) (resi   40  and name HB#  )  2.7  3.9  3.9 ! I36    A40    
assign (resi   36  and name HG2# ) (resi   40  and name HN   )  4.0  3.5  3.5 ! I36    
assign (resi   36  and name HG2# ) (resi   41  and name HE#  )  2.8  5.3  5.7 ! I36    K41    
assign (resi   36  and name HD1# ) (resi   39  and name HG2# )  2.9  5.9  6.1 ! I36    T39    
assign (resi   36  and name HN   ) (resi   37  and name HN   )  3.0  1.2  1.2


! G37
assign (resi   37  and name HA#  ) (resi   37  and name HN   )  2.4  1.7  1.7 ! G37    
assign (resi   37  and name HA#  ) (resi   38  and name HN   )  3.0  2.1  2.1 ! G37    
assign (resi   37  and name HA#  ) (resi   39  and name HN   )  4.2  3.2  2.8 ! G37    
assign (resi   37  and name HA#  ) (resi   40  and name HB#  )  2.8  3.5  3.5 ! G37    A40    
assign (resi   37  and name HA#  ) (resi   40  and name HN   )  3.6  2.6  2.6 ! G37    
assign (resi   37  and name HN   ) (resi   38  and name HN   )  3.0  1.1  1.1


! D38
assign (resi   38  and name HA   ) (resi   38  and name HB1  )  2.6  0.8  0.8
assign (resi   38  and name HA   ) (resi   38  and name HB2  )  2.9  1.1  1.1
assign (resi   38  and name HA   ) (resi   38  and name HN   )  3.0  1.1  1.1
assign (resi   38  and name HA   ) (resi   39  and name HN   )  3.6  1.6  1.6
assign (resi   38  and name HA   ) (resi   40  and name HN   )  4.0  2.0  2.0
assign (resi   38  and name HA   ) (resi   41  and name HB#  )  3.1  2.2  2.2 !        K41    
assign (resi   38  and name HA   ) (resi   41  and name HD#  )  3.0  2.1  2.1 !        K41    
assign (resi   38  and name HA   ) (resi   41  and name HE#  )  3.1  2.2  2.2 !        K41    
assign (resi   38  and name HA   ) (resi   41  and name HN   )  3.1  1.2  1.2
assign (resi   38  and name HA   ) (resi   42  and name HB#  )  3.3  4.3  3.7 !        K42    
assign (resi   38  and name HA   ) (resi   42  and name HD#  )  2.7  3.7  4.3 !        K42    
assign (resi   38  and name HA   ) (resi   42  and name HN   )  3.9  1.9  1.9
assign (resi   38  and name HB1  ) (resi   38  and name HB2  )  2.1  0.5  0.5
assign (resi   38  and name HB1  ) (resi   38  and name HN   )  3.6  1.6  1.6
assign (resi   38  and name HB1  ) (resi   39  and name HN   )  3.8  1.8  1.8
assign (resi   38  and name HB1  ) (resi   41  and name HG#  )  3.6  2.6  2.6 !        K41    
assign (resi   38  and name HB2  ) (resi   38  and name HN   )  2.5  0.8  0.8
assign (resi   38  and name HB2  ) (resi   42  and name HG#  )  3.3  2.3  2.3 !        K42    
assign (resi   38  and name HN   ) (resi   39  and name HN   )  3.0  1.1  1.1
assign (resi   38  and name HN   ) (resi   40  and name HN   )  4.2  2.2  1.8


! T39
assign (resi   39  and name HA   ) (resi   39  and name HB   )  2.6  0.9  0.9
assign (resi   39  and name HA   ) (resi   39  and name HG2# )  2.2  2.1  2.1 !        T39    
assign (resi   39  and name HA   ) (resi   40  and name HN   )  2.8  1.0  1.0
assign (resi   39  and name HB   ) (resi   39  and name HG2# )  2.2  2.1  2.1 !        T39    
assign (resi   39  and name HB   ) (resi   39  and name HN   )  3.0  1.1  1.1
assign (resi   39  and name HB   ) (resi   40  and name HN   )  3.1  1.2  1.2
assign (resi   39  and name HB   ) (resi   42  and name HN   )  3.8  3.8  2.2
assign (resi   39  and name HG2# ) (resi   39  and name HN   )  4.0  3.5  3.5 ! T39    
assign (resi   39  and name HG2# ) (resi   40  and name HA   )  3.1  2.7  2.7 ! T39    
assign (resi   39  and name HG2# ) (resi   40  and name HB#  )  3.0  4.2  4.2 ! T39    A40    
assign (resi   39  and name HG2# ) (resi   40  and name HN   )  3.3  2.9  2.9 ! T39    
assign (resi   39  and name HG2# ) (resi   42  and name HB#  )  3.3  3.9  3.9 ! T39    K42    
assign (resi   39  and name HG2# ) (resi   43  and name HA   )  3.7  5.2  3.8 ! T39    
assign (resi   39  and name HG2# ) (resi   43  and name HB2  )  3.2  4.7  4.3 ! T39    
assign (resi   39  and name HG2# ) (resi   43  and name HD1# )  2.7  3.9  3.9 ! T39    L43    
assign (resi   39  and name HG2# ) (resi   43  and name HD2# )  2.1  5.1  6.9 ! T39    L43    
assign (resi   39  and name HG2# ) (resi   43  and name HN   )  4.2  3.7  3.3 ! T39    
assign (resi   39  and name HN   ) (resi   40  and name HA   )  4.5  2.5  1.5
assign (resi   39  and name HN   ) (resi   40  and name HB#  )  4.2  3.7  3.3 !        A40    
assign (resi   39  and name HN   ) (resi   40  and name HN   )  2.9  1.0  1.0
assign (resi   39  and name HN   ) (resi   41  and name HN   )  4.1  2.1  1.9
assign (resi   39  and name HN   ) (resi   42  and name HB#  )  4.3  3.3  2.7 !        K42    


! A40
assign (resi   40  and name HA   ) (resi   40  and name HB#  )  2.1  2.0  2.0 !        A40    
assign (resi   40  and name HA   ) (resi   40  and name HN   )  2.8  1.0  1.0
assign (resi   40  and name HA   ) (resi   43  and name HD1# )  2.9  4.4  4.6 !        L43    
assign (resi   40  and name HA   ) (resi   43  and name HN   )  3.3  1.3  1.3
assign (resi   40  and name HB#  ) (resi   40  and name HN   )  2.4  2.2  2.2 ! A40    
assign (resi   40  and name HB#  ) (resi   41  and name HN   )  2.5  2.3  2.3 ! A40    
assign (resi   40  and name HB#  ) (resi   42  and name HN   )  3.7  3.2  3.2 ! A40    
assign (resi   40  and name HN   ) (resi   41  and name HD#  )  3.1  4.1  3.9 !        K41    
assign (resi   40  and name HN   ) (resi   41  and name HN   )  2.7  0.9  0.9
assign (resi   40  and name HN   ) (resi   42  and name HB#  )  2.9  3.9  4.1 !        K42    
assign (resi   40  and name HN   ) (resi   43  and name HB2  )  3.3  3.3  2.7


! K41
assign (resi   41  and name HA   ) (resi   41  and name HN   )  2.7  0.9  0.9
assign (resi   41  and name HA   ) (resi   42  and name HN   )  3.2  1.3  1.3
assign (resi   41  and name HB#  ) (resi   41  and name HG#  )  2.6  2.8  2.8 ! K41    K41    
assign (resi   41  and name HG#  ) (resi   41  and name HE#  )  2.3  2.7  2.7 ! K41    K41    
assign (resi   41  and name HG#  ) (resi   43  and name HN   )  4.2  3.2  2.8 ! K41    
assign (resi   41  and name HG#  ) (resi   44  and name HN   )  4.2  3.2  2.8 ! K41    
assign (resi   41  and name HD#  ) (resi   41  and name HN   )  3.8  2.8  2.8 ! K41    
assign (resi   41  and name HN   ) (resi   42  and name HB#  )  2.8  3.8  4.2 !        K42    


! K42
assign (resi   42  and name HA   ) (resi   42  and name HB#  )  2.7  1.9  1.9 !        K42    
assign (resi   42  and name HA   ) (resi   42  and name HN   )  2.7  0.9  0.9
assign (resi   42  and name HA   ) (resi   43  and name HG   )  3.1  3.1  2.9
assign (resi   42  and name HA   ) (resi   45  and name HB1  )  3.2  1.2  1.2
assign (resi   42  and name HA   ) (resi   45  and name HN   )  3.4  1.4  1.4
assign (resi   42  and name HA   ) (resi   46  and name HN   )  4.0  2.0  2.0
assign (resi   42  and name HB#  ) (resi   42  and name HE#  )  3.0  3.1  3.1 ! K42    K42    
assign (resi   42  and name HB#  ) (resi   42  and name HN   )  2.2  1.6  1.6 ! K42    
assign (resi   42  and name HB#  ) (resi   43  and name HN   )  2.7  1.9  1.9 ! K42    
assign (resi   42  and name HB#  ) (resi   44  and name HN   )  4.3  3.3  2.7 ! K42    
assign (resi   42  and name HG#  ) (resi   42  and name HE#  )  2.6  2.8  2.8 ! K42    K42    
assign (resi   42  and name HG#  ) (resi   42  and name HN   )  3.3  2.4  2.4 ! K42    
assign (resi   42  and name HG#  ) (resi   45  and name HB1  )  3.3  4.3  3.7 ! K42    
assign (resi   42  and name HE#  ) (resi   45  and name HB2  )  2.6  3.6  4.4 ! K42    
assign (resi   42  and name HN   ) (resi   43  and name HB1  )  4.7  2.7  1.3
assign (resi   42  and name HN   ) (resi   43  and name HB2  )  3.9  1.9  1.9
assign (resi   42  and name HN   ) (resi   43  and name HN   )  2.8  1.0  1.0


! L43
assign (resi   43  and name HA   ) (resi   43  and name HD1# )  3.6  3.1  3.1 !        L43    
assign (resi   43  and name HA   ) (resi   43  and name HD2# )  3.0  2.7  2.7 !        L43    
assign (resi   43  and name HA   ) (resi   43  and name HN   )  3.1  1.2  1.2
assign (resi   43  and name HA   ) (resi   44  and name HN   )  3.9  1.9  1.9
assign (resi   43  and name HA   ) (resi   46  and name HN   )  3.3  1.4  1.4
assign (resi   43  and name HB1  ) (resi   43  and name HD1# )  2.7  2.4  2.4 !        L43    
assign (resi   43  and name HB1  ) (resi   43  and name HD2# )  2.7  2.4  2.4 !        L43    
assign (resi   43  and name HB1  ) (resi   43  and name HN   )  3.2  1.3  1.3
assign (resi   43  and name HB1  ) (resi   44  and name HN   )  3.8  1.8  1.8
assign (resi   43  and name HB1  ) (resi   47  and name HN   )  3.9  1.9  1.9
assign (resi   43  and name HB2  ) (resi   43  and name HD1# )  2.4  2.2  2.2 !        L43    
assign (resi   43  and name HB2  ) (resi   43  and name HD2# )  3.1  2.7  2.7 !        L43    
assign (resi   43  and name HB2  ) (resi   43  and name HN   )  2.6  0.9  0.9
assign (resi   43  and name HB2  ) (resi   44  and name HN   )  3.0  1.1  1.1
assign (resi   43  and name HG   ) (resi   43  and name HD2# )  2.8  2.5  2.5 !        L43    
assign (resi   43  and name HG   ) (resi   43  and name HN   )  3.3  1.4  1.4
assign (resi   43  and name HD1# ) (resi   43  and name HN   )  3.5  3.1  3.1 ! L43    
assign (resi   43  and name HD2# ) (resi   43  and name HN   )  3.9  3.4  3.4 ! L43    
assign (resi   43  and name HD2# ) (resi   44  and name HN   )  3.3  2.8  2.8 ! L43    
assign (resi   43  and name HN   ) (resi   44  and name HN   )  3.0  1.1  1.1


! G44
assign (resi   44  and name HA1  ) (resi   44  and name HN   )  2.6  0.8  0.8
assign (resi   44  and name HA2  ) (resi   44  and name HN   )  3.1  1.2  1.2
assign (resi   44  and name HA2  ) (resi   45  and name HN   )  3.7  1.8  1.8
assign (resi   44  and name HN   ) (resi   45  and name HB2  )  4.6  2.7  1.4
assign (resi   44  and name HN   ) (resi   45  and name HN   )  2.8  1.0  1.0


! E45
assign (resi   45  and name HA   ) (resi   45  and name HB1  )  2.7  0.9  0.9
assign (resi   45  and name HA   ) (resi   45  and name HB2  )  2.7  0.9  0.9
assign (resi   45  and name HA   ) (resi   45  and name HG1  )  2.7  0.9  0.9
assign (resi   45  and name HA   ) (resi   45  and name HN   )  2.7  0.9  0.9
assign (resi   45  and name HA   ) (resi   46  and name HN   )  3.0  1.1  1.1
assign (resi   45  and name HA   ) (resi   49  and name HB2  )  3.3  3.3  2.7
assign (resi   45  and name HA   ) (resi   49  and name HG1  )  3.1  1.2  1.2
assign (resi   45  and name HA   ) (resi   49  and name HN   )  3.1  1.2  1.2
assign (resi   45  and name HB1  ) (resi   45  and name HN   )  2.9  1.0  1.0
assign (resi   45  and name HB1  ) (resi   46  and name HA   )  3.0  3.0  3.0
assign (resi   45  and name HB1  ) (resi   46  and name HB2  )  3.2  3.2  2.8
assign (resi   45  and name HB1  ) (resi   46  and name HN   )  2.6  0.9  0.9
assign (resi   45  and name HB1  ) (resi   48  and name HN   )  4.3  2.3  1.7
assign (resi   45  and name HB2  ) (resi   45  and name HN   )  2.6  0.9  0.9
assign (resi   45  and name HB2  ) (resi   46  and name HN   )  3.9  1.9  1.9
assign (resi   45  and name HG2  ) (resi   45  and name HN   )  3.8  1.8  1.8
assign (resi   45  and name HN   ) (resi   46  and name HN   )  3.0  1.1  1.1


! M46
assign (resi   46  and name HA   ) (resi   46  and name HB1  )  2.7  0.9  0.9
assign (resi   46  and name HA   ) (resi   46  and name HG1  )  3.0  1.1  1.1
assign (resi   46  and name HA   ) (resi   47  and name HN   )  3.3  1.4  1.4
assign (resi   46  and name HA   ) (resi   50  and name HB1  )  3.2  3.2  2.8
assign (resi   46  and name HB1  ) (resi   46  and name HN   )  3.4  1.5  1.5
assign (resi   46  and name HB1  ) (resi   47  and name HN   )  3.7  1.7  1.7
assign (resi   46  and name HB1  ) (resi   48  and name HN   )  4.4  2.4  1.6
assign (resi   46  and name HB1  ) (resi   49  and name HN   )  3.5  3.5  2.5
assign (resi   46  and name HB1  ) (resi   50  and name HN   )  3.8  1.8  1.8
assign (resi   46  and name HB2  ) (resi   48  and name HN   )  4.2  2.2  1.8
assign (resi   46  and name HB2  ) (resi   50  and name HN   )  4.1  2.1  1.9
assign (resi   46  and name HG1  ) (resi   46  and name HN   )  3.2  1.3  1.3
assign (resi   46  and name HG1  ) (resi   47  and name HN   )  4.5  2.6  1.5
assign (resi   46  and name HG2  ) (resi   46  and name HN   )  2.8  1.0  1.0
assign (resi   46  and name HG2  ) (resi   47  and name HN   )  4.6  2.7  1.4
assign (resi   46  and name HN   ) (resi   47  and name HB#  )  4.5  3.5  2.5 !        W47    
assign (resi   46  and name HN   ) (resi   47  and name HN   )  3.0  1.1  1.1


! W47
assign (resi   47  and name HA   ) (resi   47  and name HD1  )  3.8  1.8  1.8
assign (resi   47  and name HA   ) (resi   47  and name HE3  )  2.8  1.0  1.0
assign (resi   47  and name HA   ) (resi   47  and name HN   )  3.0  1.1  1.1
assign (resi   47  and name HA   ) (resi   48  and name HN   )  3.4  1.4  1.4
assign (resi   47  and name HA   ) (resi   50  and name HN   )  3.3  1.3  1.3
assign (resi   47  and name HB#  ) (resi   47  and name HD1  )  2.7  1.9  1.9 ! W47    
assign (resi   47  and name HB#  ) (resi   47  and name HE3  )  3.8  2.8  2.8 ! W47    
assign (resi   47  and name HB#  ) (resi   47  and name HN   )  2.5  1.8  1.8 ! W47    
assign (resi   47  and name HB#  ) (resi   48  and name HN   )  2.8  1.9  1.9 ! W47    
assign (resi   47  and name HB#  ) (resi   49  and name HN   )  4.8  3.9  2.2 ! W47    
assign (resi   47  and name HD1  ) (resi   48  and name HA   )  3.1  3.1  2.9
assign (resi   47  and name HE1  ) (resi   47  and name HZ2  )  2.8  1.0  1.0
assign (resi   47  and name HE1  ) (resi   48  and name HA   )  4.2  2.2  1.8
assign (resi   47  and name HE1  ) (resi   50  and name HE22 )  2.5  2.5  3.5
assign (resi   47  and name HE3  ) (resi   47  and name HZ3  )  2.9  1.0  1.0
assign (resi   47  and name HE3  ) (resi   47  and name HH2  )  4.1  2.1  1.9
assign (resi   47  and name HZ2  ) (resi   47  and name HZ3  )  4.3  2.3  1.7
assign (resi   47  and name HZ2  ) (resi   47  and name HH2  )  2.6  0.8  0.8
assign (resi   47  and name HZ2  ) (resi   55  and name HG1  )  3.6  3.6  2.4
assign (resi   47  and name HZ2  ) (resi   55  and name HG2  )  4.1  2.1  1.9
assign (resi   47  and name HZ3  ) (resi   47  and name HH2  )  2.9  1.1  1.1
assign (resi   47  and name HZ3  ) (resi   55  and name HB2  )  3.2  1.3  1.3
assign (resi   47  and name HZ3  ) (resi   58  and name HD#  )  3.3  3.4  3.4 !        Y58    
assign (resi   47  and name HH2  ) (resi   55  and name HD#  )  3.5  2.6  2.6 !        K55    
assign (resi   47  and name HH2  ) (resi   58  and name HD#  )  3.5  5.5  4.5 !        Y58    
assign (resi   47  and name HH2  ) (resi   59  and name HA   )  4.7  2.8  1.3
assign (resi   47  and name HH2  ) (resi   59  and name HN   )  4.3  2.3  1.7
assign (resi   47  and name HN   ) (resi   48  and name HB#  )  4.5  3.5  2.5 !        S48    
assign (resi   47  and name HN   ) (resi   48  and name HN   )  2.9  1.0  1.0


! S48
assign (resi   48  and name HA   ) (resi   48  and name HN   )  2.6  0.8  0.8
assign (resi   48  and name HA   ) (resi   50  and name HN   )  3.1  1.2  1.2
assign (resi   48  and name HB#  ) (resi   49  and name HN   )  3.2  2.3  2.3 ! S48    
assign (resi   48  and name HN   ) (resi   49  and name HB2  )  4.6  2.7  1.4
assign (resi   48  and name HN   ) (resi   49  and name HN   )  2.7  0.9  0.9
assign (resi   48  and name HN   ) (resi   50  and name HE22 )  2.9  2.9  3.1
assign (resi   48  and name HN   ) (resi   50  and name HN   )  3.7  1.7  1.7


! E49
assign (resi   49  and name HA   ) (resi   49  and name HB1  )  2.8  1.0  1.0
assign (resi   49  and name HA   ) (resi   49  and name HB2  )  2.9  1.1  1.1
assign (resi   49  and name HA   ) (resi   49  and name HG1  )  3.1  1.2  1.2
assign (resi   49  and name HA   ) (resi   49  and name HG2  )  2.9  1.0  1.0
assign (resi   49  and name HA   ) (resi   49  and name HN   )  2.9  1.0  1.0
assign (resi   49  and name HB1  ) (resi   49  and name HN   )  3.4  1.5  1.5
assign (resi   49  and name HB1  ) (resi   50  and name HN   )  4.0  2.0  2.0
assign (resi   49  and name HB2  ) (resi   49  and name HN   )  2.6  0.9  0.9
assign (resi   49  and name HG2  ) (resi   49  and name HN   )  2.8  1.0  1.0
assign (resi   49  and name HN   ) (resi   50  and name HN   )  2.7  0.9  0.9


! Q50
assign (resi   50  and name HA   ) (resi   50  and name HB1  )  2.7  0.9  0.9
assign (resi   50  and name HA   ) (resi   50  and name HB2  )  2.4  0.7  0.7
assign (resi   50  and name HA   ) (resi   50  and name HG2  )  3.5  1.5  1.5
assign (resi   50  and name HA   ) (resi   50  and name HN   )  2.8  0.9  0.9
assign (resi   50  and name HA   ) (resi   51  and name HN   )  2.3  0.7  0.7
assign (resi   50  and name HA   ) (resi   53  and name HB1  )  3.6  3.6  2.4
assign (resi   50  and name HA   ) (resi   53  and name HN   )  3.8  1.8  1.8
assign (resi   50  and name HA   ) (resi   54  and name HN   )  4.0  2.0  2.0
assign (resi   50  and name HB1  ) (resi   50  and name HN   )  2.8  1.0  1.0
assign (resi   50  and name HB1  ) (resi   51  and name HN   )  4.1  2.1  1.9
assign (resi   50  and name HB2  ) (resi   50  and name HN   )  3.6  1.6  1.6
assign (resi   50  and name HB2  ) (resi   51  and name HN   )  3.6  1.6  1.6
assign (resi   50  and name HB2  ) (resi   54  and name HB1  )  3.3  1.4  1.4
assign (resi   50  and name HB2  ) (resi   55  and name HN   )  3.6  1.7  1.7
assign (resi   50  and name HG1  ) (resi   50  and name HG2  )  2.4  0.7  0.7
assign (resi   50  and name HG1  ) (resi   50  and name HN   )  3.3  1.3  1.3
assign (resi   50  and name HG2  ) (resi   50  and name HN   )  2.7  0.9  0.9
assign (resi   50  and name HG2  ) (resi   54  and name HN   )  4.7  2.8  1.3
assign (resi   50  and name HE21 ) (resi   50  and name HN   )  3.9  1.9  1.9
assign (resi   50  and name HE22 ) (resi   50  and name HN   )  3.2  3.2  2.8


! S51
assign (resi   51  and name HA   ) (resi   51  and name HN   )  2.7  0.9  0.9
assign (resi   51  and name HA   ) (resi   52  and name HB#  )  3.2  2.8  2.8 !        A52    
assign (resi   51  and name HA   ) (resi   52  and name HN   )  2.4  0.7  0.7
assign (resi   51  and name HA   ) (resi   53  and name HN   )  3.4  1.5  1.5
assign (resi   51  and name HA   ) (resi   54  and name HN   )  4.1  2.1  1.9
assign (resi   51  and name HB#  ) (resi   51  and name HN   )  3.0  2.1  2.1 ! S51    
assign (resi   51  and name HB#  ) (resi   52  and name HA   )  3.0  4.0  4.0 ! S51    
assign (resi   51  and name HB#  ) (resi   52  and name HN   )  3.4  2.4  2.4 ! S51    
assign (resi   51  and name HN   ) (resi   52  and name HN   )  3.7  1.7  1.7
assign (resi   51  and name HN   ) (resi   54  and name HB1  )  3.7  1.7  1.7
assign (resi   51  and name HN   ) (resi   54  and name HN   )  3.5  1.5  1.5


! A52
assign (resi   52  and name HA   ) (resi   52  and name HB#  )  2.0  2.0  2.0 !        A52    
assign (resi   52  and name HA   ) (resi   52  and name HN   )  2.7  0.9  0.9
assign (resi   52  and name HA   ) (resi   53  and name HN   )  3.5  1.5  1.5
assign (resi   52  and name HA   ) (resi   54  and name HN   )  3.9  1.9  1.9
assign (resi   52  and name HA   ) (resi   55  and name HB2  )  3.1  1.2  1.2
assign (resi   52  and name HA   ) (resi   55  and name HN   )  3.4  1.4  1.4
assign (resi   52  and name HB#  ) (resi   52  and name HN   )  2.6  2.3  2.3 ! A52    
assign (resi   52  and name HB#  ) (resi   53  and name HA   )  3.0  2.6  2.6 ! A52    
assign (resi   52  and name HB#  ) (resi   53  and name HN   )  2.6  2.4  2.4 ! A52    
assign (resi   52  and name HB#  ) (resi   55  and name HN   )  4.2  3.7  3.3 ! A52    
assign (resi   52  and name HB#  ) (resi   56  and name HG2  )  3.1  2.7  2.7 ! A52    
assign (resi   52  and name HB#  ) (resi   56  and name HN   )  3.9  3.4  3.4 ! A52    
assign (resi   52  and name HN   ) (resi   53  and name HB1  )  4.5  2.6  1.5
assign (resi   52  and name HN   ) (resi   53  and name HN   )  2.9  1.1  1.1


! K53
assign (resi   53  and name HA   ) (resi   53  and name HB1  )  2.7  0.9  0.9
assign (resi   53  and name HA   ) (resi   53  and name HB2  )  2.7  0.9  0.9
assign (resi   53  and name HA   ) (resi   53  and name HN   )  2.7  0.9  0.9
assign (resi   53  and name HA   ) (resi   54  and name HN   )  3.2  1.3  1.3
assign (resi   53  and name HA   ) (resi   55  and name HN   )  3.9  1.9  1.9
assign (resi   53  and name HA   ) (resi   56  and name HB#  )  2.9  2.0  2.0 !        Q56    
assign (resi   53  and name HA   ) (resi   56  and name HG1  )  2.7  0.9  0.9
assign (resi   53  and name HA   ) (resi   56  and name HG2  )  2.8  1.0  1.0
assign (resi   53  and name HA   ) (resi   56  and name HN   )  3.2  1.3  1.3
assign (resi   53  and name HB1  ) (resi   53  and name HN   )  2.7  0.9  0.9
assign (resi   53  and name HB1  ) (resi   54  and name HN   )  2.9  1.1  1.1
assign (resi   53  and name HB2  ) (resi   53  and name HN   )  2.5  0.8  0.8
assign (resi   53  and name HB2  ) (resi   54  and name HN   )  3.3  1.3  1.3
assign (resi   53  and name HB2  ) (resi   55  and name HN   )  3.8  1.8  1.8
assign (resi   53  and name HG#  ) (resi   54  and name HN   )  3.6  2.6  2.6 ! K53    
assign (resi   53  and name HG#  ) (resi   56  and name HB#  )  2.6  4.6  5.4 ! K53    Q56    
assign (resi   53  and name HD#  ) (resi   53  and name HN   )  3.8  2.8  2.8 ! K53    
assign (resi   53  and name HD#  ) (resi   54  and name HN   )  3.5  2.5  2.5 ! K53    
assign (resi   53  and name HN   ) (resi   54  and name HN   )  2.7  0.9  0.9
assign (resi   53  and name HN   ) (resi   55  and name HN   )  4.1  2.1  1.9


! D54
assign (resi   54  and name HA   ) (resi   54  and name HB1  )  2.8  1.0  1.0
assign (resi   54  and name HA   ) (resi   54  and name HB2  )  3.0  1.1  1.1
assign (resi   54  and name HA   ) (resi   54  and name HN   )  2.9  1.1  1.1
assign (resi   54  and name HA   ) (resi   55  and name HN   )  3.3  1.4  1.4
assign (resi   54  and name HA   ) (resi   56  and name HN   )  4.2  2.2  1.8
assign (resi   54  and name HA   ) (resi   58  and name HB1  )  3.4  3.4  2.6
assign (resi   54  and name HA   ) (resi   58  and name HB2  )  3.0  3.0  3.0
assign (resi   54  and name HB1  ) (resi   54  and name HB2  )  2.4  0.7  0.7
assign (resi   54  and name HB1  ) (resi   54  and name HN   )  3.4  1.5  1.5
assign (resi   54  and name HB1  ) (resi   55  and name HN   )  3.6  1.6  1.6
assign (resi   54  and name HB2  ) (resi   54  and name HN   )  2.8  1.0  1.0
assign (resi   54  and name HB2  ) (resi   55  and name HN   )  3.5  1.5  1.5
assign (resi   54  and name HN   ) (resi   55  and name HN   )  2.7  0.9  0.9


! K55
assign (resi   55  and name HA   ) (resi   55  and name HN   )  2.9  1.0  1.0
assign (resi   55  and name HA   ) (resi   56  and name HN   )  2.7  0.9  0.9
assign (resi   55  and name HA   ) (resi   58  and name HE#  )  2.6  5.6  6.4 !        Y58    
assign (resi   55  and name HA   ) (resi   58  and name HN   )  3.3  1.3  1.3
assign (resi   55  and name HA   ) (resi   59  and name HN   )  3.1  1.2  1.2
assign (resi   55  and name HB1  ) (resi   55  and name HN   )  2.6  0.9  0.9
assign (resi   55  and name HB1  ) (resi   56  and name HN   )  3.0  1.1  1.1
assign (resi   55  and name HB2  ) (resi   59  and name HB1  )  2.2  2.2  3.8
assign (resi   55  and name HG1  ) (resi   55  and name HN   )  3.5  1.6  1.6
assign (resi   55  and name HG2  ) (resi   55  and name HN   )  4.0  2.0  2.0
assign (resi   55  and name HN   ) (resi   56  and name HB#  )  4.4  3.5  2.6 !        Q56    
assign (resi   55  and name HN   ) (resi   56  and name HN   )  2.5  0.8  0.8


! Q56
assign (resi   56  and name HA   ) (resi   56  and name HB#  )  2.9  2.0  2.0 !        Q56    
assign (resi   56  and name HA   ) (resi   56  and name HG1  )  3.1  1.2  1.2
assign (resi   56  and name HA   ) (resi   56  and name HG2  )  2.6  0.8  0.8
assign (resi   56  and name HA   ) (resi   59  and name HB2  )  3.6  3.6  2.4
assign (resi   56  and name HA   ) (resi   59  and name HG1  )  2.9  1.0  1.0
assign (resi   56  and name HA   ) (resi   59  and name HG2  )  2.9  1.1  1.1
assign (resi   56  and name HB#  ) (resi   56  and name HG1  )  2.8  2.0  2.0 ! Q56    
assign (resi   56  and name HB#  ) (resi   56  and name HG2  )  2.3  1.7  1.7 ! Q56    
assign (resi   56  and name HB#  ) (resi   56  and name HN   )  2.4  1.7  1.7 ! Q56    
assign (resi   56  and name HB#  ) (resi   57  and name HD#  )  2.5  2.8  2.8 ! Q56    P57    
assign (resi   56  and name HG1  ) (resi   56  and name HG2  )  2.0  0.5  0.5
assign (resi   56  and name HG1  ) (resi   57  and name HD#  )  3.6  2.7  2.7 !        P57    
assign (resi   56  and name HG2  ) (resi   56  and name HN   )  2.9  1.0  1.0
assign (resi   56  and name HG2  ) (resi   57  and name HD#  )  3.7  2.7  2.7 !        P57    
assign (resi   56  and name HN   ) (resi   57  and name HG#  )  4.5  3.5  2.5 !        P57    
assign (resi   56  and name HN   ) (resi   57  and name HD#  )  2.6  1.9  1.9 !        P57    
assign (resi   56  and name HN   ) (resi   58  and name HD#  )  4.8  4.9  3.2 !        Y58    


! P57
assign (resi   57  and name HA   ) (resi   57  and name HB1  )  2.3  0.7  0.7
assign (resi   57  and name HA   ) (resi   57  and name HB2  )  2.9  1.0  1.0
assign (resi   57  and name HA   ) (resi   57  and name HG#  )  2.9  2.0  2.0 !        P57    
assign (resi   57  and name HA   ) (resi   58  and name HD#  )  3.5  3.5  3.5 !        Y58    
assign (resi   57  and name HA   ) (resi   60  and name HB1  )  3.7  1.7  1.7
assign (resi   57  and name HA   ) (resi   60  and name HB2  )  3.4  1.5  1.5
assign (resi   57  and name HA   ) (resi   60  and name HN   )  3.3  1.4  1.4
assign (resi   57  and name HB1  ) (resi   57  and name HB2  )  2.1  0.6  0.6
assign (resi   57  and name HB1  ) (resi   57  and name HG#  )  2.8  2.0  2.0 !        P57    
assign (resi   57  and name HB1  ) (resi   58  and name HN   )  4.0  2.0  2.0
assign (resi   57  and name HB1  ) (resi   61  and name HD#  )  3.3  4.3  3.7 !        K61    
assign (resi   57  and name HB2  ) (resi   57  and name HG#  )  2.7  1.9  1.9 !        P57    
assign (resi   57  and name HB2  ) (resi   58  and name HN   )  3.2  1.3  1.3
assign (resi   57  and name HG#  ) (resi   57  and name HD#  )  2.6  2.8  2.8 ! P57    P57    
assign (resi   57  and name HG#  ) (resi   58  and name HD#  )  3.5  4.5  4.5 ! P57    Y58    
assign (resi   57  and name HG#  ) (resi   58  and name HE#  )  3.2  5.3  5.3 ! P57    Y58    
assign (resi   57  and name HG#  ) (resi   58  and name HN   )  3.6  2.6  2.6 ! P57    
assign (resi   57  and name HD#  ) (resi   58  and name HN   )  2.6  1.8  1.8 ! P57    
assign (resi   57  and name HD#  ) (resi   59  and name HG2  )  2.7  3.7  4.3 ! P57    


! Y58
assign (resi   58  and name HA   ) (resi   58  and name HD#  )  2.7  2.9  2.9 !        Y58    
assign (resi   58  and name HA   ) (resi   58  and name HE#  )  3.7  4.7  4.7 !        Y58    
assign (resi   58  and name HA   ) (resi   58  and name HN   )  2.7  0.9  0.9
assign (resi   58  and name HA   ) (resi   59  and name HN   )  2.8  1.0  1.0
assign (resi   58  and name HA   ) (resi   61  and name HN   )  3.6  1.6  1.6
assign (resi   58  and name HB1  ) (resi   58  and name HD#  )  2.9  3.0  3.0 !        Y58    
assign (resi   58  and name HB1  ) (resi   58  and name HE#  )  3.4  4.5  4.5 !        Y58    
assign (resi   58  and name HB1  ) (resi   58  and name HN   )  4.0  2.0  2.0
assign (resi   58  and name HB1  ) (resi   59  and name HN   )  3.9  1.9  1.9
assign (resi   58  and name HB2  ) (resi   58  and name HD#  )  3.1  3.2  3.2 !        Y58    
assign (resi   58  and name HB2  ) (resi   58  and name HE#  )  4.1  5.1  4.9 !        Y58    
assign (resi   58  and name HB2  ) (resi   58  and name HN   )  2.7  0.9  0.9
assign (resi   58  and name HB2  ) (resi   59  and name HN   )  3.0  1.1  1.1
assign (resi   58  and name HD#  ) (resi   58  and name HE#  )  2.1  5.5  5.5 ! Y58    Y58    
assign (resi   58  and name HD#  ) (resi   58  and name HN   )  2.4  2.7  2.7 ! Y58    
assign (resi   58  and name HD#  ) (resi   59  and name HN   )  4.4  4.4  3.6 ! Y58    
assign (resi   58  and name HD#  ) (resi   60  and name HG2  )  4.0  4.0  4.0 ! Y58    
assign (resi   58  and name HN   ) (resi   59  and name HG1  )  4.0  2.0  2.0
assign (resi   58  and name HN   ) (resi   59  and name HN   )  2.5  0.8  0.8
assign (resi   58  and name HN   ) (resi   60  and name HN   )  3.7  1.7  1.7
assign (resi   58  and name HN   ) (resi   61  and name HG#  )  3.9  2.9  2.9 !        K61    


! E59
assign (resi   59  and name HA   ) (resi   59  and name HB1  )  2.5  0.8  0.8
assign (resi   59  and name HA   ) (resi   59  and name HG1  )  3.4  1.5  1.5
assign (resi   59  and name HA   ) (resi   59  and name HG2  )  3.7  1.7  1.7
assign (resi   59  and name HA   ) (resi   62  and name HN   )  3.0  1.1  1.1
assign (resi   59  and name HB1  ) (resi   61  and name HG#  )  2.6  3.6  4.4 !        K61    
assign (resi   59  and name HB2  ) (resi   59  and name HN   )  3.7  1.7  1.7
assign (resi   59  and name HG1  ) (resi   59  and name HG2  )  2.1  0.5  0.5
assign (resi   59  and name HG1  ) (resi   59  and name HN   )  3.4  1.4  1.4
assign (resi   59  and name HG2  ) (resi   59  and name HN   )  2.4  2.4  3.6
assign (resi   59  and name HN   ) (resi   60  and name HN   )  2.8  1.0  1.0
assign (resi   59  and name HN   ) (resi   61  and name HN   )  4.0  2.0  2.0
assign (resi   59  and name HN   ) (resi   62  and name HN   )  4.0  2.0  2.0


! Q60
assign (resi   60  and name HA   ) (resi   60  and name HB1  )  2.4  0.7  0.7
assign (resi   60  and name HA   ) (resi   60  and name HB2  )  3.0  1.1  1.1
assign (resi   60  and name HA   ) (resi   60  and name HG1  )  3.0  1.1  1.1
assign (resi   60  and name HA   ) (resi   60  and name HG2  )  2.8  1.0  1.0
assign (resi   60  and name HA   ) (resi   60  and name HN   )  2.7  0.9  0.9
assign (resi   60  and name HA   ) (resi   63  and name HB#  )  2.3  2.2  2.2 !        A63    
assign (resi   60  and name HA   ) (resi   63  and name HN   )  2.8  1.0  1.0
assign (resi   60  and name HB1  ) (resi   60  and name HB2  )  2.2  0.6  0.6
assign (resi   60  and name HB1  ) (resi   60  and name HG2  )  2.3  0.7  0.7
assign (resi   60  and name HB1  ) (resi   60  and name HN   )  2.9  1.1  1.1
assign (resi   60  and name HB1  ) (resi   61  and name HN   )  3.4  1.4  1.4
assign (resi   60  and name HB1  ) (resi   62  and name HN   )  4.5  2.5  1.5
assign (resi   60  and name HB2  ) (resi   60  and name HG2  )  2.7  0.9  0.9
assign (resi   60  and name HB2  ) (resi   60  and name HN   )  2.9  1.0  1.0
assign (resi   60  and name HB2  ) (resi   61  and name HN   )  2.9  1.0  1.0
assign (resi   60  and name HB2  ) (resi   63  and name HB#  )  3.1  2.7  2.7 !        A63    
assign (resi   60  and name HB2  ) (resi   63  and name HN   )  3.8  1.8  1.8
assign (resi   60  and name HG1  ) (resi   60  and name HN   )  3.0  1.1  1.1
assign (resi   60  and name HG1  ) (resi   61  and name HG#  )  3.3  2.4  2.4 !        K61    
assign (resi   60  and name HG1  ) (resi   62  and name HB#  )  2.5  4.0  5.0 !        A62    
assign (resi   60  and name HG1  ) (resi   63  and name HB#  )  3.3  4.8  4.2 !        A63    
assign (resi   60  and name HG2  ) (resi   60  and name HN   )  2.5  0.8  0.8
assign (resi   60  and name HG2  ) (resi   61  and name HN   )  4.0  2.0  2.0
assign (resi   60  and name HG2  ) (resi   63  and name HB#  )  2.4  3.9  5.1 !        A63    
assign (resi   60  and name HN   ) (resi   61  and name HN   )  2.7  0.9  0.9
assign (resi   60  and name HN   ) (resi   63  and name HB#  )  2.8  4.3  4.7 !        A63    


! K61
assign (resi   61  and name HA   ) (resi   61  and name HG#  )  3.0  2.1  2.1 !        K61    
assign (resi   61  and name HA   ) (resi   61  and name HN   )  2.7  0.9  0.9
assign (resi   61  and name HA   ) (resi   62  and name HN   )  3.2  1.3  1.3
assign (resi   61  and name HA   ) (resi   63  and name HN   )  3.4  1.5  1.5
assign (resi   61  and name HA   ) (resi   64  and name HN   )  3.0  1.1  1.1
assign (resi   61  and name HA   ) (resi   65  and name HN   )  3.7  1.7  1.7
assign (resi   61  and name HB#  ) (resi   61  and name HN   )  2.5  1.8  1.8 ! K61    
assign (resi   61  and name HB#  ) (resi   62  and name HN   )  3.3  2.4  2.4 ! K61    
assign (resi   61  and name HG#  ) (resi   61  and name HN   )  3.3  2.3  2.3 ! K61    
assign (resi   61  and name HG#  ) (resi   62  and name HN   )  3.4  2.5  2.5 ! K61    
assign (resi   61  and name HG#  ) (resi   65  and name HD1# )  2.5  5.0  6.0 ! K61    L65    
assign (resi   61  and name HD#  ) (resi   61  and name HN   )  4.4  3.4  2.6 ! K61    
assign (resi   61  and name HE#  ) (resi   65  and name HD2# )  2.3  4.8  6.2 ! K61    L65    
assign (resi   61  and name HN   ) (resi   62  and name HB#  )  3.6  3.1  3.1 !        A62    
assign (resi   61  and name HN   ) (resi   62  and name HN   )  2.7  0.9  0.9
assign (resi   61  and name HN   ) (resi   63  and name HN   )  3.9  1.9  1.9


! A62
assign (resi   62  and name HA   ) (resi   62  and name HB#  )  2.1  2.1  2.1 !        A62    
assign (resi   62  and name HA   ) (resi   62  and name HN   )  2.8  1.0  1.0
assign (resi   62  and name HA   ) (resi   63  and name HN   )  3.6  1.6  1.6
assign (resi   62  and name HA   ) (resi   64  and name HG#  )  3.2  4.2  3.8 !        K64    
assign (resi   62  and name HA   ) (resi   64  and name HN   )  3.8  1.8  1.8
assign (resi   62  and name HA   ) (resi   65  and name HB1  )  3.3  1.3  1.3
assign (resi   62  and name HA   ) (resi   65  and name HD2# )  3.1  2.7  2.7 !        L65    
assign (resi   62  and name HA   ) (resi   65  and name HN   )  3.4  1.4  1.4
assign (resi   62  and name HB#  ) (resi   62  and name HN   )  2.3  2.1  2.1 ! A62    
assign (resi   62  and name HB#  ) (resi   65  and name HD1# )  3.2  4.3  4.3 ! A62    L65    
assign (resi   62  and name HB#  ) (resi   65  and name HD2# )  3.4  4.5  4.5 ! A62    L65    
assign (resi   62  and name HB#  ) (resi   65  and name HN   )  3.8  3.3  3.3 ! A62    
assign (resi   62  and name HN   ) (resi   63  and name HN   )  2.6  0.9  0.9
assign (resi   62  and name HN   ) (resi   64  and name HB1  )  2.5  2.5  3.5
assign (resi   62  and name HN   ) (resi   64  and name HN   )  3.7  1.7  1.7


! A63
assign (resi   63  and name HA   ) (resi   63  and name HB#  )  2.2  2.1  2.1 !        A63    
assign (resi   63  and name HA   ) (resi   63  and name HN   )  2.7  0.9  0.9
assign (resi   63  and name HA   ) (resi   66  and name HB1  )  2.6  0.9  0.9
assign (resi   63  and name HA   ) (resi   66  and name HN   )  3.0  1.1  1.1
assign (resi   63  and name HB#  ) (resi   63  and name HN   )  2.2  2.1  2.1 ! A63    
assign (resi   63  and name HB#  ) (resi   64  and name HN   )  2.5  2.3  2.3 ! A63    
assign (resi   63  and name HB#  ) (resi   66  and name HB1  )  3.0  4.5  4.5 ! A63    
assign (resi   63  and name HB#  ) (resi   67  and name HN   )  3.8  3.3  3.3 ! A63    
assign (resi   63  and name HN   ) (resi   64  and name HB1  )  4.3  2.3  1.7
assign (resi   63  and name HN   ) (resi   64  and name HN   )  2.6  0.8  0.8


! K64
assign (resi   64  and name HA   ) (resi   64  and name HB1  )  2.8  1.0  1.0
assign (resi   64  and name HA   ) (resi   64  and name HB2  )  2.5  0.8  0.8
assign (resi   64  and name HA   ) (resi   64  and name HD#  )  2.6  1.8  1.8 !        K64    
assign (resi   64  and name HA   ) (resi   64  and name HN   )  2.6  0.8  0.8
assign (resi   64  and name HA   ) (resi   67  and name HB#  )  2.6  1.9  1.9 !        E67    
assign (resi   64  and name HA   ) (resi   67  and name HN   )  2.8  1.0  1.0
assign (resi   64  and name HB1  ) (resi   64  and name HN   )  2.9  1.1  1.1
assign (resi   64  and name HB1  ) (resi   65  and name HN   )  2.6  0.8  0.8
assign (resi   64  and name HB2  ) (resi   64  and name HN   )  2.4  0.7  0.7
assign (resi   64  and name HB2  ) (resi   65  and name HG   )  2.1  2.1  3.9
assign (resi   64  and name HB2  ) (resi   65  and name HN   )  2.7  0.9  0.9
assign (resi   64  and name HN   ) (resi   65  and name HD2# )  4.3  3.8  3.2 !        L65    
assign (resi   64  and name HN   ) (resi   65  and name HN   )  2.9  1.1  1.1
assign (resi   64  and name HN   ) (resi   66  and name HN   )  3.2  1.3  1.3
assign (resi   64  and name HN   ) (resi   67  and name HB#  )  2.9  3.9  4.1 !        E67    


! L65
assign (resi   65  and name HA   ) (resi   65  and name HB1  )  2.9  1.0  1.0
assign (resi   65  and name HA   ) (resi   65  and name HD1# )  2.8  2.5  2.5 !        L65    
assign (resi   65  and name HA   ) (resi   65  and name HD2# )  3.5  3.1  3.1 !        L65    
assign (resi   65  and name HA   ) (resi   65  and name HN   )  2.8  1.0  1.0
assign (resi   65  and name HA   ) (resi   68  and name HB#  )  3.0  2.1  2.1 !        K68    
assign (resi   65  and name HA   ) (resi   68  and name HN   )  2.9  1.1  1.1
assign (resi   65  and name HA   ) (resi   69  and name HN   )  3.2  1.3  1.3
assign (resi   65  and name HB1  ) (resi   65  and name HD1# )  2.7  2.4  2.4 !        L65    
assign (resi   65  and name HB1  ) (resi   65  and name HD2# )  2.3  2.2  2.2 !        L65    
assign (resi   65  and name HB1  ) (resi   65  and name HN   )  3.4  1.4  1.4
assign (resi   65  and name HB2  ) (resi   65  and name HD2# )  2.9  2.6  2.6 !        L65    
assign (resi   65  and name HG   ) (resi   65  and name HD1# )  2.9  2.5  2.5 !        L65    
assign (resi   65  and name HG   ) (resi   65  and name HD2# )  2.7  2.4  2.4 !        L65    
assign (resi   65  and name HG   ) (resi   68  and name HN   )  4.0  2.0  2.0
assign (resi   65  and name HG   ) (resi   69  and name HN   )  3.5  3.5  2.5
assign (resi   65  and name HD1# ) (resi   66  and name HA   )  2.5  4.0  5.0 ! L65    
assign (resi   65  and name HD1# ) (resi   68  and name HN   )  4.5  4.0  3.0 ! L65    
assign (resi   65  and name HD2# ) (resi   65  and name HN   )  3.4  2.9  2.9 ! L65    
assign (resi   65  and name HD2# ) (resi   66  and name HA   )  2.7  4.2  4.8 ! L65    
assign (resi   65  and name HN   ) (resi   66  and name HN   )  2.8  1.0  1.0
assign (resi   65  and name HN   ) (resi   67  and name HN   )  3.6  1.6  1.6


! K66
assign (resi   66  and name HA   ) (resi   66  and name HD#  )  3.6  2.6  2.6 !        K66    
assign (resi   66  and name HA   ) (resi   66  and name HN   )  3.0  1.1  1.1
assign (resi   66  and name HA   ) (resi   67  and name HN   )  2.9  1.1  1.1
assign (resi   66  and name HB1  ) (resi   66  and name HE#  )  3.1  2.2  2.2 !        K66    
assign (resi   66  and name HB1  ) (resi   66  and name HN   )  2.6  0.8  0.8
assign (resi   66  and name HB1  ) (resi   67  and name HN   )  2.3  2.3  3.7
assign (resi   66  and name HB2  ) (resi   66  and name HG1  )  2.4  0.7  0.7
assign (resi   66  and name HB2  ) (resi   66  and name HN   )  2.6  0.9  0.9
assign (resi   66  and name HB2  ) (resi   70  and name HN   )  3.4  3.4  2.6
assign (resi   66  and name HG1  ) (resi   66  and name HN   )  4.2  2.2  1.8
assign (resi   66  and name HG1  ) (resi   67  and name HN   )  3.7  1.7  1.7
assign (resi   66  and name HG1  ) (resi   68  and name HN   )  3.6  3.6  2.4
assign (resi   66  and name HG1  ) (resi   70  and name HN   )  3.7  1.7  1.7
assign (resi   66  and name HG2  ) (resi   66  and name HE#  )  2.3  1.6  1.6 !        K66    
assign (resi   66  and name HG2  ) (resi   66  and name HN   )  3.8  1.8  1.8
assign (resi   66  and name HG2  ) (resi   67  and name HN   )  3.2  1.3  1.3
assign (resi   66  and name HN   ) (resi   67  and name HB#  )  4.5  3.5  2.5 !        E67    
assign (resi   66  and name HN   ) (resi   67  and name HN   )  2.7  0.9  0.9
assign (resi   66  and name HN   ) (resi   68  and name HN   )  4.0  2.0  2.0


! E67
assign (resi   67  and name HA   ) (resi   67  and name HG1  )  2.5  0.8  0.8
assign (resi   67  and name HA   ) (resi   67  and name HG2  )  2.6  0.8  0.8
assign (resi   67  and name HA   ) (resi   67  and name HN   )  2.6  0.8  0.8
assign (resi   67  and name HA   ) (resi   70  and name HB2  )  2.3  0.7  0.7
assign (resi   67  and name HA   ) (resi   70  and name HN   )  3.1  1.2  1.2
assign (resi   67  and name HA   ) (resi   72  and name HB1  )  3.3  3.3  2.7
assign (resi   67  and name HB#  ) (resi   67  and name HG2  )  2.4  1.7  1.7 ! E67    
assign (resi   67  and name HB#  ) (resi   67  and name HN   )  2.5  1.8  1.8 ! E67    
assign (resi   67  and name HB#  ) (resi   68  and name HN   )  2.8  2.0  2.0 ! E67    
assign (resi   67  and name HB#  ) (resi   71  and name HE#  )  2.6  2.9  2.9 ! E67    K71    
assign (resi   67  and name HG1  ) (resi   71  and name HE#  )  3.3  2.3  2.3 !        K71    
assign (resi   67  and name HN   ) (resi   68  and name HN   )  2.4  0.7  0.7
assign (resi   67  and name HN   ) (resi   70  and name HG1  )  3.3  3.3  2.7
assign (resi   67  and name HN   ) (resi   70  and name HN   )  3.5  1.6  1.6


! K68
assign (resi   68  and name HA   ) (resi   68  and name HN   )  2.6  0.8  0.8
assign (resi   68  and name HA   ) (resi   69  and name HN   )  2.8  1.0  1.0
assign (resi   68  and name HA   ) (resi   72  and name HN   )  3.3  1.3  1.3
assign (resi   68  and name HB#  ) (resi   68  and name HN   )  2.3  1.7  1.7 ! K68    
assign (resi   68  and name HB#  ) (resi   69  and name HN   )  2.6  1.8  1.8 ! K68    
assign (resi   68  and name HN   ) (resi   69  and name HA   )  4.4  2.5  1.6
assign (resi   68  and name HN   ) (resi   69  and name HN   )  2.6  0.8  0.8
assign (resi   68  and name HN   ) (resi   70  and name HN   )  4.2  2.3  1.8
assign (resi   68  and name HN   ) (resi   72  and name HB1  )  3.1  3.1  2.9


! Y69
assign (resi   69  and name HA   ) (resi   69  and name HB1  )  3.2  1.3  1.3
assign (resi   69  and name HA   ) (resi   69  and name HB2  )  2.8  1.0  1.0
assign (resi   69  and name HA   ) (resi   69  and name HD#  )  2.6  2.9  2.9 !        Y69    
assign (resi   69  and name HA   ) (resi   69  and name HE#  )  4.3  5.3  4.7 !        Y69    
assign (resi   69  and name HA   ) (resi   69  and name HN   )  2.8  1.0  1.0
assign (resi   69  and name HA   ) (resi   70  and name HN   )  3.3  1.4  1.4
assign (resi   69  and name HA   ) (resi   71  and name HN   )  3.9  1.9  1.9
assign (resi   69  and name HA   ) (resi   73  and name HN   )  3.1  1.2  1.2
assign (resi   69  and name HB1  ) (resi   69  and name HE#  )  4.2  5.2  4.8 !        Y69    
assign (resi   69  and name HB1  ) (resi   69  and name HN   )  2.5  0.8  0.8
assign (resi   69  and name HB1  ) (resi   70  and name HN   )  2.9  1.0  1.0
assign (resi   69  and name HB2  ) (resi   69  and name HD#  )  3.0  3.1  3.1 !        Y69    
assign (resi   69  and name HB2  ) (resi   69  and name HE#  )  4.1  5.1  4.9 !        Y69    
assign (resi   69  and name HB2  ) (resi   69  and name HN   )  2.8  1.0  1.0
assign (resi   69  and name HB2  ) (resi   70  and name HN   )  3.9  1.9  1.9
assign (resi   69  and name HD#  ) (resi   69  and name HE#  )  2.0  5.5  5.5 ! Y69    Y69    
assign (resi   69  and name HD#  ) (resi   69  and name HN   )  4.0  4.0  4.0 ! Y69    
assign (resi   69  and name HD#  ) (resi   70  and name HG1  )  3.0  3.1  3.1 ! Y69    
assign (resi   69  and name HD#  ) (resi   70  and name HN   )  3.6  3.6  3.6 ! Y69    
assign (resi   69  and name HD#  ) (resi   73  and name HD1# )  3.2  4.7  4.7 ! Y69    I73    
assign (resi   69  and name HE#  ) (resi   70  and name HG1  )  3.9  4.9  4.9 ! Y69    
assign (resi   69  and name HE#  ) (resi   73  and name HB   )  3.2  4.3  4.3 ! Y69    
assign (resi   69  and name HE#  ) (resi   73  and name HG1# )  3.5  5.5  5.5 ! Y69    I73    
assign (resi   69  and name HE#  ) (resi   73  and name HD1# )  2.5  5.3  5.3 ! Y69    I73    
assign (resi   69  and name HN   ) (resi   70  and name HG2  )  4.5  2.5  1.5
assign (resi   69  and name HN   ) (resi   70  and name HN   )  2.8  0.9  0.9
assign (resi   69  and name HN   ) (resi   72  and name HB2  )  2.5  2.5  3.5


! E70
assign (resi   70  and name HA   ) (resi   70  and name HB1  )  2.9  1.0  1.0
assign (resi   70  and name HA   ) (resi   70  and name HB2  )  2.9  1.1  1.1
assign (resi   70  and name HA   ) (resi   70  and name HG1  )  3.4  1.5  1.5
assign (resi   70  and name HA   ) (resi   70  and name HG2  )  2.8  1.0  1.0
assign (resi   70  and name HA   ) (resi   70  and name HN   )  2.9  1.1  1.1
assign (resi   70  and name HA   ) (resi   71  and name HN   )  3.6  1.6  1.6
assign (resi   70  and name HA   ) (resi   73  and name HG2# )  2.3  2.2  2.2 !        I73    
assign (resi   70  and name HA   ) (resi   73  and name HD1# )  4.0  3.5  3.5 !        I73    
assign (resi   70  and name HA   ) (resi   73  and name HN   )  3.8  1.8  1.8
assign (resi   70  and name HA   ) (resi   74  and name HB#  )  3.6  3.1  3.1 !        A74    
assign (resi   70  and name HA   ) (resi   74  and name HN   )  4.8  2.8  1.2
assign (resi   70  and name HB1  ) (resi   70  and name HG1  )  3.2  1.3  1.3
assign (resi   70  and name HB1  ) (resi   70  and name HG2  )  3.1  1.2  1.2
assign (resi   70  and name HB1  ) (resi   70  and name HN   )  3.6  1.6  1.6
assign (resi   70  and name HB1  ) (resi   71  and name HN   )  3.0  1.1  1.1
assign (resi   70  and name HB1  ) (resi   73  and name HG2# )  3.7  3.2  3.2 !        I73    
assign (resi   70  and name HB2  ) (resi   70  and name HG1  )  2.7  0.9  0.9
assign (resi   70  and name HB2  ) (resi   70  and name HG2  )  3.1  1.2  1.2
assign (resi   70  and name HB2  ) (resi   70  and name HN   )  2.6  0.8  0.8
assign (resi   70  and name HB2  ) (resi   71  and name HN   )  2.8  1.0  1.0
assign (resi   70  and name HB2  ) (resi   72  and name HN   )  3.5  1.6  1.6
assign (resi   70  and name HB2  ) (resi   73  and name HG2# )  3.9  3.4  3.4 !        I73    
assign (resi   70  and name HG1  ) (resi   70  and name HG2  )  2.2  0.6  0.6
assign (resi   70  and name HG1  ) (resi   70  and name HN   )  2.8  1.0  1.0
assign (resi   70  and name HG1  ) (resi   71  and name HN   )  4.7  2.7  1.3
assign (resi   70  and name HG1  ) (resi   73  and name HG2# )  3.7  3.2  3.2 !        I73    
assign (resi   70  and name HG2  ) (resi   70  and name HN   )  3.3  1.3  1.3
assign (resi   70  and name HG2  ) (resi   73  and name HG2# )  3.7  3.2  3.2 !        I73    
assign (resi   70  and name HN   ) (resi   71  and name HN   )  2.8  1.0  1.0
assign (resi   70  and name HN   ) (resi   72  and name HN   )  4.0  2.0  2.0


! K71
assign (resi   71  and name HA   ) (resi   71  and name HB#  )  2.4  1.7  1.7 !        K71    
assign (resi   71  and name HA   ) (resi   71  and name HN   )  2.5  0.8  0.8
assign (resi   71  and name HA   ) (resi   73  and name HN   )  4.0  2.0  2.0
assign (resi   71  and name HB#  ) (resi   71  and name HD#  )  2.6  2.8  2.8 ! K71    K71    
assign (resi   71  and name HB#  ) (resi   71  and name HE#  )  3.1  3.2  3.2 ! K71    K71    
assign (resi   71  and name HB#  ) (resi   72  and name HN   )  2.9  2.1  2.1 ! K71    
assign (resi   71  and name HD#  ) (resi   71  and name HN   )  3.4  2.4  2.4 ! K71    
assign (resi   71  and name HN   ) (resi   72  and name HB1  )  4.2  2.2  1.8
assign (resi   71  and name HN   ) (resi   72  and name HB2  )  4.0  2.0  2.0
assign (resi   71  and name HN   ) (resi   72  and name HN   )  2.6  0.8  0.8
assign (resi   71  and name HN   ) (resi   73  and name HB   )  2.7  2.7  3.3
assign (resi   71  and name HN   ) (resi   73  and name HN   )  3.9  1.9  1.9


! D72
assign (resi   72  and name HA   ) (resi   72  and name HB1  )  3.3  1.4  1.4
assign (resi   72  and name HA   ) (resi   72  and name HB2  )  2.7  0.9  0.9
assign (resi   72  and name HA   ) (resi   72  and name HN   )  2.8  1.0  1.0
assign (resi   72  and name HA   ) (resi   74  and name HN   )  3.6  1.6  1.6
assign (resi   72  and name HA   ) (resi   75  and name HB#  )  2.6  2.3  2.3 !        A75    
assign (resi   72  and name HA   ) (resi   75  and name HN   )  3.1  1.2  1.2
assign (resi   72  and name HA   ) (resi   76  and name HN   )  3.9  1.9  1.9
assign (resi   72  and name HB1  ) (resi   72  and name HN   )  2.9  1.1  1.1
assign (resi   72  and name HB1  ) (resi   73  and name HN   )  3.0  1.1  1.1
assign (resi   72  and name HB2  ) (resi   72  and name HN   )  3.0  1.1  1.1
assign (resi   72  and name HB2  ) (resi   73  and name HN   )  3.9  1.9  1.9
assign (resi   72  and name HN   ) (resi   73  and name HB   )  4.3  2.3  1.7
assign (resi   72  and name HN   ) (resi   73  and name HN   )  2.8  1.0  1.0


! I73
assign (resi   73  and name HA   ) (resi   73  and name HB   )  2.8  1.0  1.0
assign (resi   73  and name HA   ) (resi   73  and name HG1# )  3.3  2.4  2.4 !        I73    
assign (resi   73  and name HA   ) (resi   73  and name HG2# )  2.5  2.3  2.3 !        I73    
assign (resi   73  and name HA   ) (resi   73  and name HD1# )  2.5  2.3  2.3 !        I73    
assign (resi   73  and name HA   ) (resi   73  and name HN   )  2.9  1.0  1.0
assign (resi   73  and name HA   ) (resi   74  and name HB#  )  3.1  4.6  4.4 !        A74    
assign (resi   73  and name HA   ) (resi   74  and name HN   )  3.4  1.5  1.5
assign (resi   73  and name HA   ) (resi   76  and name HB1  )  2.6  0.9  0.9
assign (resi   73  and name HA   ) (resi   76  and name HB2  )  3.0  1.1  1.1
assign (resi   73  and name HA   ) (resi   76  and name HD#  )  3.4  3.4  3.4 !        Y76    
assign (resi   73  and name HA   ) (resi   76  and name HN   )  3.1  1.2  1.2
assign (resi   73  and name HA   ) (resi   77  and name HN   )  4.4  2.4  1.6
assign (resi   73  and name HB   ) (resi   73  and name HG1# )  2.7  1.9  1.9 !        I73    
assign (resi   73  and name HB   ) (resi   73  and name HG2# )  2.1  2.0  2.0 !        I73    
assign (resi   73  and name HB   ) (resi   73  and name HD1# )  2.3  2.2  2.2 !        I73    
assign (resi   73  and name HG1# ) (resi   73  and name HG2# )  2.3  3.1  3.1 ! I73    I73    
assign (resi   73  and name HG1# ) (resi   73  and name HD1# )  2.1  3.1  3.1 ! I73    I73    
assign (resi   73  and name HG1# ) (resi   73  and name HN   )  3.7  2.7  2.7 ! I73    
assign (resi   73  and name HG1# ) (resi   74  and name HB#  )  3.6  4.1  4.1 ! I73    A74    
assign (resi   73  and name HG1# ) (resi   74  and name HN   )  4.3  3.3  2.7 ! I73    
assign (resi   73  and name HG1# ) (resi   76  and name HB2  )  4.2  3.2  2.8 ! I73    
assign (resi   73  and name HG1# ) (resi   77  and name HB1  )  3.7  2.7  2.7 ! I73    
assign (resi   73  and name HG1# ) (resi   77  and name HD#  )  3.1  3.2  3.2 ! I73    R77    
assign (resi   73  and name HG1# ) (resi   77  and name HD#  )  3.3  3.4  3.4 ! I73    R77    
assign (resi   73  and name HG2# ) (resi   73  and name HN   )  2.7  2.4  2.4 ! I73    
assign (resi   73  and name HG2# ) (resi   74  and name HA   )  3.0  2.6  2.6 ! I73    
assign (resi   73  and name HG2# ) (resi   74  and name HN   )  2.6  2.3  2.3 ! I73    
assign (resi   73  and name HG2# ) (resi   76  and name HB1  )  3.7  3.2  3.2 ! I73    
assign (resi   73  and name HG2# ) (resi   76  and name HB2  )  2.3  3.8  5.2 ! I73    
assign (resi   73  and name HG2# ) (resi   77  and name HD#  )  3.4  5.9  5.1 ! I73    R77    
assign (resi   73  and name HG2# ) (resi   77  and name HN   )  4.2  3.7  3.3 ! I73    
assign (resi   73  and name HD1# ) (resi   75  and name HN   )  4.3  3.9  3.2 ! I73    
assign (resi   73  and name HD1# ) (resi   76  and name HD#  )  2.7  4.4  4.4 ! I73    Y76    
assign (resi   73  and name HD1# ) (resi   76  and name HE#  )  3.9  6.4  6.4 ! I73    Y76    
assign (resi   73  and name HD1# ) (resi   76  and name HN   )  4.6  4.1  2.9 ! I73    
assign (resi   73  and name HD1# ) (resi   77  and name HD#  )  2.7  3.4  3.4 ! I73    R77    
assign (resi   73  and name HD1# ) (resi   78  and name HA   )  2.7  4.2  4.8 ! I73    
assign (resi   73  and name HN   ) (resi   74  and name HB#  )  3.4  3.0  3.0 !        A74    
assign (resi   73  and name HN   ) (resi   74  and name HN   )  2.7  0.9  0.9
assign (resi   73  and name HN   ) (resi   75  and name HN   )  3.9  1.9  1.9


! A74
assign (resi   74  and name HA   ) (resi   74  and name HB#  )  2.0  2.0  2.0 !        A74    
assign (resi   74  and name HA   ) (resi   74  and name HN   )  2.6  0.8  0.8
assign (resi   74  and name HA   ) (resi   75  and name HN   )  3.1  1.2  1.2
assign (resi   74  and name HB#  ) (resi   74  and name HN   )  2.2  2.1  2.1 ! A74    
assign (resi   74  and name HB#  ) (resi   78  and name HN   )  4.5  4.1  3.0 ! A74    
assign (resi   74  and name HN   ) (resi   75  and name HA   )  4.5  2.5  1.5
assign (resi   74  and name HN   ) (resi   75  and name HN   )  2.6  0.8  0.8
assign (resi   74  and name HN   ) (resi   76  and name HN   )  3.8  1.8  1.8


! A75
assign (resi   75  and name HA   ) (resi   75  and name HB#  )  2.1  2.1  2.1 !        A75    
assign (resi   75  and name HA   ) (resi   75  and name HN   )  2.7  0.9  0.9
assign (resi   75  and name HA   ) (resi   76  and name HN   )  3.1  1.2  1.2
assign (resi   75  and name HB#  ) (resi   75  and name HN   )  2.2  2.1  2.1 ! A75    
assign (resi   75  and name HB#  ) (resi   76  and name HA   )  2.9  2.5  2.5 ! A75    
assign (resi   75  and name HB#  ) (resi   76  and name HN   )  2.8  2.5  2.5 ! A75    
assign (resi   75  and name HB#  ) (resi   77  and name HN   )  4.0  3.5  3.5 ! A75    
assign (resi   75  and name HN   ) (resi   76  and name HB2  )  4.7  2.7  1.3
assign (resi   75  and name HN   ) (resi   76  and name HN   )  2.6  0.8  0.8


! Y76
assign (resi   76  and name HA   ) (resi   76  and name HB1  )  2.9  1.0  1.0
assign (resi   76  and name HA   ) (resi   76  and name HB2  )  2.6  0.8  0.8
assign (resi   76  and name HA   ) (resi   76  and name HD#  )  2.5  2.8  2.8 !        Y76    
assign (resi   76  and name HA   ) (resi   76  and name HE#  )  4.7  5.7  4.3 !        Y76    
assign (resi   76  and name HA   ) (resi   76  and name HN   )  2.8  0.9  0.9
assign (resi   76  and name HA   ) (resi   77  and name HN   )  2.8  1.0  1.0
assign (resi   76  and name HB1  ) (resi   76  and name HD#  )  2.5  2.8  2.8 !        Y76    
assign (resi   76  and name HB1  ) (resi   76  and name HE#  )  4.3  5.3  4.7 !        Y76    
assign (resi   76  and name HB1  ) (resi   76  and name HN   )  2.6  0.8  0.8
assign (resi   76  and name HB2  ) (resi   76  and name HD#  )  2.9  3.0  3.0 !        Y76    
assign (resi   76  and name HB2  ) (resi   76  and name HE#  )  4.3  5.3  4.7 !        Y76    
assign (resi   76  and name HB2  ) (resi   76  and name HN   )  2.5  0.8  0.8
assign (resi   76  and name HB2  ) (resi   77  and name HN   )  3.7  1.7  1.7
assign (resi   76  and name HD#  ) (resi   76  and name HE#  )  2.0  5.5  5.5 ! Y76    Y76    
assign (resi   76  and name HD#  ) (resi   76  and name HN   )  4.2  4.2  3.8 ! Y76    
assign (resi   76  and name HD#  ) (resi   77  and name HA   )  3.6  3.6  3.6 ! Y76    
assign (resi   76  and name HD#  ) (resi   77  and name HB1  )  3.3  3.3  3.3 ! Y76    
assign (resi   76  and name HD#  ) (resi   77  and name HG1  )  3.6  3.6  3.6 ! Y76    
assign (resi   76  and name HD#  ) (resi   77  and name HN   )  3.6  3.6  3.6 ! Y76    
assign (resi   76  and name HE#  ) (resi   77  and name HG2  )  3.7  4.7  4.7 ! Y76    
assign (resi   76  and name HN   ) (resi   77  and name HA   )  4.0  2.0  2.0
assign (resi   76  and name HN   ) (resi   77  and name HG1  )  4.5  2.5  1.5


! R77
assign (resi   77  and name HA   ) (resi   77  and name HB1  )  2.5  0.8  0.8
assign (resi   77  and name HA   ) (resi   77  and name HB2  )  2.4  0.7  0.7
assign (resi   77  and name HA   ) (resi   77  and name HG2  )  2.7  2.7  3.3
assign (resi   77  and name HA   ) (resi   77  and name HD#  )  3.5  2.5  2.5 !        R77    
assign (resi   77  and name HA   ) (resi   77  and name HN   )  2.5  0.8  0.8
assign (resi   77  and name HA   ) (resi   78  and name HN   )  2.8  1.0  1.0
assign (resi   77  and name HB1  ) (resi   77  and name HB2  )  1.8  0.4  0.4
assign (resi   77  and name HB1  ) (resi   77  and name HD#  )  2.7  1.9  1.9 !        R77    
assign (resi   77  and name HB1  ) (resi   77  and name HN   )  2.9  1.0  1.0
assign (resi   77  and name HB1  ) (resi   78  and name HN   )  3.8  1.8  1.8
assign (resi   77  and name HB2  ) (resi   77  and name HD#  )  2.4  1.7  1.7 !        R77    
assign (resi   77  and name HB2  ) (resi   77  and name HN   )  2.7  0.9  0.9
assign (resi   77  and name HG1  ) (resi   77  and name HD#  )  2.7  1.9  1.9 !        R77    
assign (resi   77  and name HG1  ) (resi   78  and name HN   )  2.8  1.0  1.0
assign (resi   77  and name HG2  ) (resi   77  and name HD#  )  2.8  2.0  2.0 !        R77    
assign (resi   77  and name HG2  ) (resi   77  and name HN   )  2.9  1.0  1.0
assign (resi   77  and name HD#  ) (resi   79  and name HD#  )  2.1  4.1  5.9 ! R77    K79    
assign (resi   77  and name HN   ) (resi   78  and name HN   )  2.5  0.8  0.8


! A78
assign (resi   78  and name HA   ) (resi   78  and name HB#  )  2.1  2.0  2.0 !        A78    
assign (resi   78  and name HA   ) (resi   78  and name HN   )  2.4  0.7  0.7
assign (resi   78  and name HA   ) (resi   79  and name HN   )  2.4  0.7  0.7
assign (resi   78  and name HB#  ) (resi   78  and name HN   )  2.4  2.2  2.2 ! A78    
assign (resi   78  and name HB#  ) (resi   79  and name HN   )  2.7  2.4  2.4 ! A78    
assign (resi   78  and name HN   ) (resi   79  and name HD#  )  3.0  4.0  4.0 !        K79    


! K79
assign (resi   79  and name HA   ) (resi   79  and name HB1  )  2.4  0.7  0.7
assign (resi   79  and name HA   ) (resi   79  and name HB2  )  2.6  0.8  0.8
assign (resi   79  and name HA   ) (resi   79  and name HG#  )  2.8  2.0  2.0 !        K79    
assign (resi   79  and name HA   ) (resi   79  and name HN   )  2.7  0.9  0.9
assign (resi   79  and name HB1  ) (resi   79  and name HE#  )  3.4  2.5  2.5 !        K79    
assign (resi   79  and name HB1  ) (resi   79  and name HN   )  3.4  1.5  1.5
assign (resi   79  and name HB2  ) (resi   79  and name HN   )  2.7  0.9  0.9
assign (resi   79  and name HG#  ) (resi   79  and name HE#  )  2.0  2.5  2.5 ! K79    K79   

!Dihedral angle restraints 


!!	N7
assign (resid   6 and name c )  (resid   7 and name n )
       (resid   7 and name ca)  (resid   7 and name c )  1.0 -120.0   40.0 2
!!	A8
assign (resid   7 and name c )  (resid   8 and name n )
       (resid   8 and name ca)  (resid   8 and name c )  1.0  -65.0   40.0 2
!!	L18
assign (resid  17 and name c )  (resid  18 and name n )
       (resid  18 and name ca)  (resid  18 and name c )  1.0  -65.0   40.0 2
!!	S21
assign (resid  20 and name c )  (resid  21 and name n )
       (resid  21 and name ca)  (resid  21 and name c )  1.0  -65.0   40.0 2
!!	R24
assign (resid  23 and name c )  (resid  24 and name n )
       (resid  24 and name ca)  (resid  24 and name c )  1.0  -65.0   40.0 2
!!	I27
assign (resid  26 and name c )  (resid  27 and name n )
       (resid  27 and name ca)  (resid  27 and name c )  1.0  -65.0   40.0 2
!!	H31
assign (resid  30 and name c )  (resid  31 and name n )
       (resid  31 and name ca)  (resid  31 and name c )  1.0 -120.0   40.0 2
!!	G33
assign (resid  32 and name c )  (resid  33 and name n )
       (resid  33 and name ca)  (resid  33 and name c )  1.0  -65.0   40.0 2
!!	L34
assign (resid  33 and name c )  (resid  34 and name n )
       (resid  34 and name ca)  (resid  34 and name c )  1.0  -65.0   40.0 2
!!	S35
assign (resid  34 and name c )  (resid  35 and name n )
       (resid  35 and name ca)  (resid  35 and name c )  1.0  -65.0   40.0 2
!!	G37
assign (resid  36 and name c )  (resid  37 and name n )
       (resid  37 and name ca)  (resid  37 and name c )  1.0  -65.0   40.0 2
!!	D38
assign (resid  37 and name c )  (resid  38 and name n )
       (resid  38 and name ca)  (resid  38 and name c )  1.0  -65.0   40.0 2
!!	T39
assign (resid  38 and name c )  (resid  39 and name n )
       (resid  39 and name ca)  (resid  39 and name c )  1.0  -65.0   40.0 2
!!	A40
assign (resid  39 and name c )  (resid  40 and name n )
       (resid  40 and name ca)  (resid  40 and name c )  1.0  -65.0   40.0 2
!!	K41
assign (resid  40 and name c )  (resid  41 and name n )
       (resid  41 and name ca)  (resid  41 and name c )  1.0  -65.0   40.0 2
!!	K42
assign (resid  41 and name c )  (resid  42 and name n )
       (resid  42 and name ca)  (resid  42 and name c )  1.0  -65.0   40.0 2
!!	E45
assign (resid  44 and name c )  (resid  45 and name n )
       (resid  45 and name ca)  (resid  45 and name c )  1.0  -65.0   40.0 2
!!	S48
assign (resid  47 and name c )  (resid  48 and name n )
       (resid  48 and name ca)  (resid  48 and name c )  1.0  -65.0   40.0 2
!!	E59
assign (resid  58 and name c )  (resid  59 and name n )
       (resid  59 and name ca)  (resid  59 and name c )  1.0  -65.0   40.0 2
!!	K61
assign (resid  60 and name c )  (resid  61 and name n )
       (resid  61 and name ca)  (resid  61 and name c )  1.0  -65.0   40.0 2
!!	K64
assign (resid  63 and name c )  (resid  64 and name n )
       (resid  64 and name ca)  (resid  64 and name c )  1.0  -65.0   40.0 2
!!	K66
assign (resid  65 and name c )  (resid  66 and name n )
       (resid  66 and name ca)  (resid  66 and name c )  1.0  -65.0   40.0 2
!!	K67
assign (resid  66 and name c )  (resid  67 and name n )
       (resid  67 and name ca)  (resid  67 and name c )  1.0  -65.0   40.0 2
!!	K68
assign (resid  67 and name c )  (resid  68 and name n )
       (resid  68 and name ca)  (resid  68 and name c )  1.0  -65.0   40.0 2
!!	D69
assign (resid  68 and name c )  (resid  69 and name n )
       (resid  69 and name ca)  (resid  69 and name c )  1.0  -65.0   40.0 2
!!	P73
assign (resid  72 and name c )  (resid  73 and name n )
       (resid  73 and name ca)  (resid  73 and name c )  1.0  -65.0   40.0 2
!!	K74
assign (resid  73 and name c )  (resid  74 and name n )
       (resid  74 and name ca)  (resid  74 and name c )  1.0  -65.0   40.0 2
!!	P76
assign (resid  75 and name c )  (resid  76 and name n )
       (resid  76 and name ca)  (resid  76 and name c )  1.0  -65.0   40.0 2

!dipolar coupling constant restraints
!

! K3   
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 3    and name N     )
       ( resid 3    and name HN    )   1.29  0.34  0.34

! K4   
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 4    and name N     )
       ( resid 4    and name HN    )   0.62  0.46  0.46

! D5   
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 5    and name N     )
       ( resid 5    and name HN    )   6.38  1.46  1.46

! N7   
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 7    and name N     )
       ( resid 7    and name HN    )  -3.73  0.52  0.52

! A8   
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 8    and name N     )
       ( resid 8    and name HN    )  -3.63  1.09  1.09

! K10  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 10   and name N     )
       ( resid 10   and name HN    )  16.94  1.02  1.02

! R11  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 11   and name N     )
       ( resid 11   and name HN    )  -5.56  0.91  0.91

! S14  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 14   and name N     )
       ( resid 14   and name HN    )  -8.28  0.76  0.76

! A15  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 15   and name N     )
       ( resid 15   and name HN    )  15.11  1.22  1.22

! F16  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 16   and name N     )
       ( resid 16   and name HN    )  17.29  0.78  0.78

! F17  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 17   and name N     )
       ( resid 17   and name HN    )  -0.23  1.29  1.29

! L18  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 18   and name N     )
       ( resid 18   and name HN    )  10.80  1.21  1.21

! F19  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 19   and name N     )
       ( resid 19   and name HN    )  19.85  0.95  0.95

! C20  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 20   and name N     )
       ( resid 20   and name HN    )   8.49  0.42  0.42

! S21  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 21   and name N     )
       ( resid 21   and name HN    )   0.38  0.23  0.23

! E22  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 22   and name N     )
       ( resid 22   and name HN    )  20.13  1.18  1.18

! Y23  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 23   and name N     )
       ( resid 23   and name HN    )   9.24  1.02  1.02

! R24  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 24   and name N     )
       ( resid 24   and name HN    )  -12.59  0.22  0.22

! K26  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 26   and name N     )
       ( resid 26   and name HN    )   1.37  1.34  1.34

! I27  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 27   and name N     )
       ( resid 27   and name HN    )  -11.56  1.12  1.12

! K28  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 28   and name N     )
       ( resid 28   and name HN    )  -16.03  0.48  0.48

! S29  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 29   and name N     )
       ( resid 29   and name HN    )  -9.47  0.14  0.14

! H31  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 31   and name N     )
       ( resid 31   and name HN    )  -13.82  0.72  0.72

! L34  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 34   and name N     )
       ( resid 34   and name HN    )   5.28  0.70  0.70

! S35  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 35   and name N     )
       ( resid 35   and name HN    )   0.15  1.19  1.19

! D38  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 38   and name N     )
       ( resid 38   and name HN    )   3.03  1.31  1.31

! T39  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 39   and name N     )
       ( resid 39   and name HN    )  -8.11  0.51  0.51

! A40  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 40   and name N     )
       ( resid 40   and name HN    )  -7.82  0.39  0.39

! K41  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 41   and name N     )
       ( resid 41   and name HN    )  -6.25  0.90  0.90

! K42  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 42   and name N     )
       ( resid 42   and name HN    )   0.20  0.18  0.18

! L43  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 43   and name N     )
       ( resid 43   and name HN    )  -5.54  0.97  0.97

! G44  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 44   and name N     )
       ( resid 44   and name HN    )  -8.81  0.82  0.82

! E45  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 45   and name N     )
       ( resid 45   and name HN    )  -3.16  0.98  0.98

! M46  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 46   and name N     )
       ( resid 46   and name HN    )  -3.83  0.53  0.53

! W47  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 47   and name N     )
       ( resid 47   and name HN    )  -6.98  1.23  1.23

! S48  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 48   and name N     )
       ( resid 48   and name HN    )  -8.74  0.21  0.21

! E49  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 49   and name N     )
       ( resid 49   and name HN    )   3.07  0.64  0.64

! Q50  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 50   and name N     )
       ( resid 50   and name HN    )  -8.81  0.55  0.55

! S51  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 51   and name N     )
       ( resid 51   and name HN    )  17.03  0.97  0.97

! K53  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 53   and name N     )
       ( resid 53   and name HN    )  -7.68  0.94  0.94

! D54  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 54   and name N     )
       ( resid 54   and name HN    )   6.32  1.02  1.02

! K55  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 55   and name N     )
       ( resid 55   and name HN    )   9.17  1.07  1.07

! Q56  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 56   and name N     )
       ( resid 56   and name HN    )  -12.92  0.19  0.19

! Y58  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 58   and name N     )
       ( resid 58   and name HN    )  -7.74  0.40  0.40

! E59  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 59   and name N     )
       ( resid 59   and name HN    )  -15.48  1.11  1.11

! Q60  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 60   and name N     )
       ( resid 60   and name HN    )  -18.22  1.27  1.27

! K61  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 61   and name N     )
       ( resid 61   and name HN    )  -19.09  0.60  0.60

! A62  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 62   and name N     )
       ( resid 62   and name HN    )  -11.49  1.11  1.11

! A63  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 63   and name N     )
       ( resid 63   and name HN    )  -17.10  0.06  0.06

! K64  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 64   and name N     )
       ( resid 64   and name HN    )  -12.95  0.79  0.79

! L65  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 65   and name N     )
       ( resid 65   and name HN    )  -15.41  0.65  0.65

! K66  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 66   and name N     )
       ( resid 66   and name HN    )  -16.47  0.58  0.58

! E67  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 67   and name N     )
       ( resid 67   and name HN    )  -13.58  1.16  1.16

! K68  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 68   and name N     )
       ( resid 68   and name HN    )  -17.41  0.17  0.17

! Y69  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 69   and name N     )
       ( resid 69   and name HN    )  -15.77  0.31  0.31

! E70  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 70   and name N     )
       ( resid 70   and name HN    )  -21.50  1.25  1.25

! K71  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 71   and name N     )
       ( resid 71   and name HN    )  -10.86  1.12  1.12

! D72  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 72   and name N     )
       ( resid 72   and name HN    )  -20.14  0.91  0.91

! I73  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 73   and name N     )
       ( resid 73   and name HN    )  -12.66  0.36  0.36

! A74  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 74   and name N     )
       ( resid 74   and name HN    )  -13.77  0.54  0.54

! Y76  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 76   and name N     )
       ( resid 76   and name HN    )  -7.87  0.89  0.89

! R77  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 77   and name N     )
       ( resid 77   and name HN    )  -1.24  0.32  0.32

! A78  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 78   and name N     )
       ( resid 78   and name HN    )   3.13  0.60  0.60

! K79  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 79   and name N     )
       ( resid 79   and name HN    )  -0.24  0.56  0.56

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1HT       MET   1  -8.239  16.721   6.184
    2   2H    MET   1          2HT       MET   1  -7.813  16.350   4.581
    3   3H    MET   1          3HT       MET   1  -8.295  15.115   5.643
    4    HA   MET   1           HA       MET   1 -10.533  16.087   5.768
    5   1HB   MET   1          2HB       MET   1  -9.254  18.347   5.127
    6   2HB   MET   1          1HB       MET   1  -9.751  17.877   3.501
    7   1HG   MET   1          2HG       MET   1 -12.091  17.703   4.260
    8   2HG   MET   1          1HG       MET   1 -11.599  18.167   5.890
    9   1HE   MET   1          1HE       MET   1 -13.580  19.892   3.189
   10   2HE   MET   1          2HE       MET   1 -13.655  21.070   4.497
   11   3HE   MET   1          3HE       MET   1 -13.750  19.350   4.865
   12    H    LYS   2           H        LYS   2  -8.773  16.258   2.647
   13    HA   LYS   2           HA       LYS   2  -9.842  13.703   1.727
   14   1HB   LYS   2          2HB       LYS   2 -11.220  16.269   1.240
   15   2HB   LYS   2          1HB       LYS   2 -10.991  15.275  -0.199
   16   1HG   LYS   2          2HG       LYS   2 -11.805  13.420   1.691
   17   2HG   LYS   2          1HG       LYS   2 -12.754  14.843   2.111
   18   1HD   LYS   2          2HD       LYS   2 -13.186  14.962  -0.484
   19   2HD   LYS   2          1HD       LYS   2 -12.744  13.255  -0.431
   20   1HE   LYS   2          2HE       LYS   2 -14.637  14.039   1.687
   21   2HE   LYS   2          1HE       LYS   2 -15.273  14.229   0.042
   22   1HZ   LYS   2          1HZ       LYS   2 -15.591  11.960   0.817
   23   2HZ   LYS   2          2HZ       LYS   2 -13.924  11.806   1.110
   24   3HZ   LYS   2          3HZ       LYS   2 -14.496  11.995  -0.478
   25    H    LYS   3           H        LYS   3  -8.465  16.858   0.785
   26    HA   LYS   3           HA       LYS   3  -6.246  15.597  -0.587
   27   1HB   LYS   3          2HB       LYS   3  -8.603  15.721  -1.988
   28   2HB   LYS   3          1HB       LYS   3  -7.823  17.222  -2.484
   29   1HG   LYS   3          2HG       LYS   3  -5.790  15.963  -3.105
   30   2HG   LYS   3          1HG       LYS   3  -6.578  14.460  -2.623
   31   1HD   LYS   3          2HD       LYS   3  -8.453  15.208  -4.288
   32   2HD   LYS   3          1HD       LYS   3  -7.199  16.250  -4.959
   33   1HE   LYS   3          2HE       LYS   3  -5.875  14.438  -5.643
   34   2HE   LYS   3          1HE       LYS   3  -6.625  13.328  -4.479
   35   1HZ   LYS   3          1HZ       LYS   3  -7.464  13.019  -6.767
   36   2HZ   LYS   3          2HZ       LYS   3  -8.055  14.612  -6.746
   37   3HZ   LYS   3          3HZ       LYS   3  -8.686  13.455  -5.674
   38    H    LYS   4           H        LYS   4  -5.204  17.092   0.941
   39    HA   LYS   4           HA       LYS   4  -5.600  19.910   1.006
   40   1HB   LYS   4          2HB       LYS   4  -3.323  18.031   1.624
   41   2HB   LYS   4          1HB       LYS   4  -3.131  19.773   1.829
   42   1HG   LYS   4          2HG       LYS   4  -5.352  19.639   3.171
   43   2HG   LYS   4          1HG       LYS   4  -5.018  17.909   3.259
   44   1HD   LYS   4          2HD       LYS   4  -2.741  18.467   4.176
   45   2HD   LYS   4          1HD       LYS   4  -3.244  20.156   4.250
   46   1HE   LYS   4          2HE       LYS   4  -4.897  17.988   5.560
   47   2HE   LYS   4          1HE       LYS   4  -3.544  18.763   6.410
   48   1HZ   LYS   4          1HZ       LYS   4  -4.499  20.919   5.930
   49   2HZ   LYS   4          2HZ       LYS   4  -5.635  19.965   6.760
   50   3HZ   LYS   4          3HZ       LYS   4  -5.782  20.203   5.085
   51    H    ASP   5           H        ASP   5  -3.023  18.078  -0.694
   52    HA   ASP   5           HA       ASP   5  -3.173  19.851  -3.027
   53   1HB   ASP   5          2HB       ASP   5  -1.228  20.179  -0.806
   54   2HB   ASP   5          1HB       ASP   5  -0.559  20.285  -2.434
   55    HA   PRO   6           HA       PRO   6  -1.363  16.261  -4.842
   56   1HB   PRO   6          2HB       PRO   6  -0.020  17.303  -6.985
   57   2HB   PRO   6          1HB       PRO   6  -1.790  17.182  -6.921
   58   1HG   PRO   6          2HG       PRO   6  -0.037  19.539  -6.467
   59   2HG   PRO   6          1HG       PRO   6  -1.615  19.440  -7.262
   60   1HD   PRO   6          2HD       PRO   6  -1.250  20.351  -4.709
   61   2HD   PRO   6          1HD       PRO   6  -2.761  19.623  -5.297
   62    H    ASN   7           H        ASN   7   0.938  19.005  -4.718
   63    HA   ASN   7           HA       ASN   7   3.274  17.257  -4.551
   64   1HB   ASN   7          2HB       ASN   7   2.982  19.650  -5.527
   65   2HB   ASN   7          1HB       ASN   7   3.148  20.190  -3.856
   66   1HD2  ASN   7          1HD2      ASN   7   4.899  19.076  -6.634
   67   2HD2  ASN   7          2HD2      ASN   7   6.431  19.009  -5.904
   68    H    ALA   8           H        ALA   8   1.084  18.714  -2.243
   69    HA   ALA   8           HA       ALA   8   2.896  18.654   0.037
   70   1HB   ALA   8          1HB       ALA   8   0.885  19.231   1.261
   71   2HB   ALA   8          2HB       ALA   8  -0.138  18.621  -0.041
   72   3HB   ALA   8          3HB       ALA   8   0.824  20.081  -0.282
   73    HA   PRO   9           HA       PRO   9   2.510  14.312   0.824
   74   1HB   PRO   9          2HB       PRO   9   3.227  14.237   3.460
   75   2HB   PRO   9          1HB       PRO   9   4.396  14.474   2.148
   76   1HG   PRO   9          2HG       PRO   9   3.193  16.471   3.989
   77   2HG   PRO   9          1HG       PRO   9   4.834  16.382   3.335
   78   1HD   PRO   9          2HD       PRO   9   2.899  18.071   2.385
   79   2HD   PRO   9          1HD       PRO   9   4.265  17.481   1.415
   80    H    LYS  10           H        LYS  10   0.170  14.274   0.599
   81    HA   LYS  10           HA       LYS  10  -1.748  15.058   2.513
   82   1HB   LYS  10          2HB       LYS  10  -1.538  13.357   0.165
   83   2HB   LYS  10          1HB       LYS  10  -2.723  12.732   1.306
   84   1HG   LYS  10          2HG       LYS  10  -4.101  14.570   1.090
   85   2HG   LYS  10          1HG       LYS  10  -2.763  15.662   0.729
   86   1HD   LYS  10          2HD       LYS  10  -3.952  15.415  -1.324
   87   2HD   LYS  10          1HD       LYS  10  -2.520  14.398  -1.483
   88   1HE   LYS  10          2HE       LYS  10  -4.073  12.512  -0.511
   89   2HE   LYS  10          1HE       LYS  10  -5.383  13.571  -1.071
   90   1HZ   LYS  10          1HZ       LYS  10  -4.307  13.692  -3.237
   91   2HZ   LYS  10          2HZ       LYS  10  -4.670  12.080  -2.840
   92   3HZ   LYS  10          3HZ       LYS  10  -3.076  12.653  -2.706
   93    H    ARG  11           H        ARG  11  -3.236  12.998   3.408
   94    HA   ARG  11           HA       ARG  11  -1.973  12.074   5.765
   95   1HB   ARG  11          2HB       ARG  11  -4.440  11.596   4.224
   96   2HB   ARG  11          1HB       ARG  11  -3.967  10.235   5.244
   97   1HG   ARG  11          2HG       ARG  11  -3.807  11.758   7.189
   98   2HG   ARG  11          1HG       ARG  11  -4.307  13.106   6.167
   99   1HD   ARG  11          2HD       ARG  11  -6.504  12.416   6.104
  100   2HD   ARG  11          1HD       ARG  11  -6.069  10.696   6.160
  101    HE   ARG  11           HE       ARG  11  -5.722  10.905   8.562
  102   1HH1  ARG  11          1HH1      ARG  11  -8.289  12.567   7.616
  103   2HH1  ARG  11          2HH1      ARG  11  -8.200  13.852   8.773
  104   1HH2  ARG  11          1HH2      ARG  11  -4.980  13.067   9.790
  105   2HH2  ARG  11          2HH2      ARG  11  -6.327  14.135  10.005
  106    HA   PRO  12           HA       PRO  12   0.461   8.747   4.100
  107   1HB   PRO  12          2HB       PRO  12   1.165   7.518   6.436
  108   2HB   PRO  12          1HB       PRO  12   1.893   9.041   5.890
  109   1HG   PRO  12          2HG       PRO  12  -0.177   8.568   7.958
  110   2HG   PRO  12          1HG       PRO  12   1.105   9.786   7.896
  111   1HD   PRO  12          2HD       PRO  12  -1.555  10.252   7.308
  112   2HD   PRO  12          1HD       PRO  12  -0.199  11.267   6.775
  113    HA   PRO  13           HA       PRO  13  -2.667   5.543   4.264
  114   1HB   PRO  13          2HB       PRO  13  -1.626   3.913   2.330
  115   2HB   PRO  13          1HB       PRO  13  -2.488   5.417   1.962
  116   1HG   PRO  13          2HG       PRO  13   0.392   4.822   1.850
  117   2HG   PRO  13          1HG       PRO  13  -0.556   6.006   0.945
  118   1HD   PRO  13          2HD       PRO  13   1.098   6.506   3.168
  119   2HD   PRO  13          1HD       PRO  13  -0.032   7.642   2.404
  120    H    SER  14           H        SER  14  -2.094   2.821   3.882
  121    HA   SER  14           HA       SER  14   0.222   1.990   5.460
  122   1HB   SER  14          2HB       SER  14  -1.336   2.966   7.146
  123   2HB   SER  14          1HB       SER  14  -2.570   1.815   6.643
  124    HG   SER  14           HG       SER  14  -0.106   1.362   7.941
  125    H    ALA  15           H        ALA  15  -0.146   0.980   3.061
  126    HA   ALA  15           HA       ALA  15  -0.373  -1.021   1.884
  127   1HB   ALA  15          1HB       ALA  15  -0.141  -1.732   4.619
  128   2HB   ALA  15          2HB       ALA  15   0.127  -2.775   3.224
  129   3HB   ALA  15          3HB       ALA  15  -1.464  -2.705   3.977
  130    H    PHE  16           H        PHE  16  -3.014  -1.492   4.267
  131    HA   PHE  16           HA       PHE  16  -5.019  -2.340   2.547
  132   1HB   PHE  16          2HB       PHE  16  -4.945  -2.049   5.091
  133   2HB   PHE  16          1HB       PHE  16  -5.444  -0.381   4.811
  134    HD1  PHE  16           1HD      PHE  16  -6.408  -3.926   4.122
  135    HD2  PHE  16           2HD      PHE  16  -7.709   0.157   4.417
  136    HE1  PHE  16           1HE      PHE  16  -8.767  -4.660   3.904
  137    HE2  PHE  16           2HE      PHE  16 -10.067  -0.577   4.199
  138    HZ   PHE  16           HZ       PHE  16 -10.597  -2.987   3.943
  139    H    PHE  17           H        PHE  17  -4.422   1.079   3.456
  140    HA   PHE  17           HA       PHE  17  -6.436   2.263   1.823
  141   1HB   PHE  17          2HB       PHE  17  -3.983   3.037   3.269
  142   2HB   PHE  17          1HB       PHE  17  -4.367   4.093   1.910
  143    HD1  PHE  17           1HD      PHE  17  -5.341   3.001   5.248
  144    HD2  PHE  17           2HD      PHE  17  -6.587   5.236   1.798
  145    HE1  PHE  17           1HE      PHE  17  -7.114   4.092   6.596
  146    HE2  PHE  17           2HE      PHE  17  -8.359   6.329   3.146
  147    HZ   PHE  17           HZ       PHE  17  -8.623   5.757   5.545
  148    H    LEU  18           H        LEU  18  -3.060   1.389   1.101
  149    HA   LEU  18           HA       LEU  18  -2.943   2.525  -1.535
  150   1HB   LEU  18          2HB       LEU  18  -1.491   0.096  -0.425
  151   2HB   LEU  18          1HB       LEU  18  -0.949   1.126  -1.744
  152    HG   LEU  18           HG       LEU  18  -1.226   1.927   1.175
  153   1HD1  LEU  18          1HD1      LEU  18   1.010   1.131  -0.619
  154   2HD1  LEU  18          2HD1      LEU  18   0.804   0.863   1.112
  155   3HD1  LEU  18          3HD1      LEU  18   1.320   2.442   0.518
  156   1HD2  LEU  18          1HD2      LEU  18   0.087   3.990   0.053
  157   2HD2  LEU  18          2HD2      LEU  18  -1.674   3.966   0.167
  158   3HD2  LEU  18          3HD2      LEU  18  -0.882   3.509  -1.341
  159    H    PHE  19           H        PHE  19  -3.951  -0.648  -0.307
  160    HA   PHE  19           HA       PHE  19  -4.316  -1.843  -2.944
  161   1HB   PHE  19          2HB       PHE  19  -3.765  -3.087  -0.869
  162   2HB   PHE  19          1HB       PHE  19  -5.317  -2.614  -0.182
  163    HD1  PHE  19           1HD      PHE  19  -3.588  -4.960  -2.312
  164    HD2  PHE  19           2HD      PHE  19  -7.452  -3.331  -1.380
  165    HE1  PHE  19           1HE      PHE  19  -4.673  -6.896  -3.419
  166    HE2  PHE  19           2HE      PHE  19  -8.536  -5.267  -2.487
  167    HZ   PHE  19           HZ       PHE  19  -7.146  -7.050  -3.506
  168    H    CYS  20           H        CYS  20  -6.619  -0.835  -0.381
  169    HA   CYS  20           HA       CYS  20  -9.023  -1.257  -1.823
  170   1HB   CYS  20          2HB       CYS  20  -8.625  -0.705   0.639
  171   2HB   CYS  20          1HB       CYS  20  -8.480   0.983   0.145
  172    HG   CYS  20           HG       CYS  20 -10.960   0.960   0.391
  173    H    SER  21           H        SER  21  -7.211   1.817  -1.458
  174    HA   SER  21           HA       SER  21  -8.816   3.421  -3.163
  175   1HB   SER  21          2HB       SER  21  -6.886   4.894  -3.153
  176   2HB   SER  21          1HB       SER  21  -6.984   4.116  -1.576
  177    HG   SER  21           HG       SER  21  -5.183   3.722  -3.683
  178    H    GLU  22           H        GLU  22  -6.398   0.999  -3.961
  179    HA   GLU  22           HA       GLU  22  -6.295   1.865  -6.796
  180   1HB   GLU  22          2HB       GLU  22  -4.805   0.011  -4.990
  181   2HB   GLU  22          1HB       GLU  22  -4.660  -0.196  -6.732
  182   1HG   GLU  22          2HG       GLU  22  -4.168   2.416  -5.274
  183   2HG   GLU  22          1HG       GLU  22  -2.896   1.301  -5.775
  184    H    TYR  23           H        TYR  23  -7.688  -0.670  -4.785
  185    HA   TYR  23           HA       TYR  23  -8.366  -2.368  -7.100
  186   1HB   TYR  23          2HB       TYR  23  -8.448  -2.472  -4.127
  187   2HB   TYR  23          1HB       TYR  23  -9.628  -3.468  -4.980
  188    HD1  TYR  23           1HD      TYR  23  -5.978  -2.602  -5.032
  189    HD2  TYR  23           2HD      TYR  23  -8.989  -5.575  -5.771
  190    HE1  TYR  23           1HE      TYR  23  -4.210  -4.264  -5.543
  191    HE2  TYR  23           2HE      TYR  23  -7.222  -7.238  -6.282
  192    HH   TYR  23           HH       TYR  23  -4.017  -6.816  -5.484
  193    H    ARG  24           H        ARG  24 -10.020  -0.143  -4.874
  194    HA   ARG  24           HA       ARG  24 -12.703  -0.683  -5.332
  195   1HB   ARG  24          2HB       ARG  24 -11.153   1.875  -4.974
  196   2HB   ARG  24          1HB       ARG  24 -12.914   1.868  -5.085
  197   1HG   ARG  24          2HG       ARG  24 -13.131   0.473  -3.158
  198   2HG   ARG  24          1HG       ARG  24 -11.407   0.108  -3.144
  199   1HD   ARG  24          2HD       ARG  24 -10.878   2.068  -2.082
  200   2HD   ARG  24          1HD       ARG  24 -12.082   2.996  -2.997
  201    HE   ARG  24           HE       ARG  24 -13.445   1.159  -1.273
  202   1HH1  ARG  24          1HH1      ARG  24 -10.960   2.988  -0.146
  203   2HH1  ARG  24          2HH1      ARG  24 -11.912   4.060   0.827
  204   1HH2  ARG  24          1HH2      ARG  24 -14.938   2.989  -0.481
  205   2HH2  ARG  24          2HH2      ARG  24 -14.163   4.060   0.637
  206    HA   PRO  25           HA       PRO  25 -12.731   2.150  -9.291
  207   1HB   PRO  25          2HB       PRO  25 -10.322   2.351 -10.606
  208   2HB   PRO  25          1HB       PRO  25 -10.918   3.559  -9.449
  209   1HG   PRO  25          2HG       PRO  25  -9.016   1.294  -8.998
  210   2HG   PRO  25          1HG       PRO  25  -8.889   2.985  -8.479
  211   1HD   PRO  25          2HD       PRO  25  -9.672   1.128  -6.769
  212   2HD   PRO  25          1HD       PRO  25 -10.465   2.717  -6.773
  213    H    LYS  26           H        LYS  26 -10.630  -0.635  -8.912
  214    HA   LYS  26           HA       LYS  26 -10.992  -1.757 -11.566
  215   1HB   LYS  26          2HB       LYS  26  -9.259  -2.270  -9.700
  216   2HB   LYS  26          1HB       LYS  26 -10.539  -3.252  -8.982
  217   1HG   LYS  26          2HG       LYS  26  -9.787  -3.607 -11.877
  218   2HG   LYS  26          1HG       LYS  26  -8.860  -4.408 -10.608
  219   1HD   LYS  26          2HD       LYS  26 -11.140  -5.234  -9.722
  220   2HD   LYS  26          1HD       LYS  26 -11.778  -4.755 -11.295
  221   1HE   LYS  26          2HE       LYS  26 -10.015  -6.195 -12.380
  222   2HE   LYS  26          1HE       LYS  26  -9.584  -6.786 -10.762
  223   1HZ   LYS  26          1HZ       LYS  26 -12.310  -6.863 -11.947
  224   2HZ   LYS  26          2HZ       LYS  26 -11.871  -7.447 -10.413
  225   3HZ   LYS  26          3HZ       LYS  26 -11.270  -8.196 -11.814
  226    H    ILE  27           H        ILE  27 -12.508  -2.261  -8.394
  227    HA   ILE  27           HA       ILE  27 -14.408  -4.258  -9.050
  228    HB   ILE  27           HB       ILE  27 -14.599  -1.898  -7.135
  229   1HG1  ILE  27          2HG1      ILE  27 -12.578  -3.225  -6.713
  230   2HG1  ILE  27          1HG1      ILE  27 -13.754  -3.502  -5.437
  231   1HG2  ILE  27          1HG2      ILE  27 -16.771  -2.928  -7.401
  232   2HG2  ILE  27          2HG2      ILE  27 -16.110  -3.428  -5.845
  233   3HG2  ILE  27          3HG2      ILE  27 -16.080  -4.539  -7.214
  234   1HD1  ILE  27          1HD1      ILE  27 -14.521  -5.526  -6.825
  235   2HD1  ILE  27          2HD1      ILE  27 -12.972  -5.659  -5.993
  236   3HD1  ILE  27          3HD1      ILE  27 -13.018  -5.322  -7.723
  237    H    LYS  28           H        LYS  28 -14.464  -0.765  -9.544
  238    HA   LYS  28           HA       LYS  28 -17.285  -0.567 -10.114
  239   1HB   LYS  28          2HB       LYS  28 -15.203   1.330 -11.199
  240   2HB   LYS  28          1HB       LYS  28 -16.818   1.691 -10.609
  241   1HG   LYS  28          2HG       LYS  28 -14.299   1.203  -9.072
  242   2HG   LYS  28          1HG       LYS  28 -15.426   2.527  -8.919
  243   1HD   LYS  28          2HD       LYS  28 -15.809  -0.320  -7.930
  244   2HD   LYS  28          1HD       LYS  28 -15.609   1.129  -6.956
  245   1HE   LYS  28          2HE       LYS  28 -17.897   0.909  -8.927
  246   2HE   LYS  28          1HE       LYS  28 -18.032   0.278  -7.275
  247   1HZ   LYS  28          1HZ       LYS  28 -17.297   2.430  -6.437
  248   2HZ   LYS  28          2HZ       LYS  28 -18.717   2.593  -7.355
  249   3HZ   LYS  28          3HZ       LYS  28 -17.218   3.037  -8.019
  250    H    SER  29           H        SER  29 -14.427  -1.079 -12.152
  251    HA   SER  29           HA       SER  29 -15.675  -0.724 -14.701
  252   1HB   SER  29          2HB       SER  29 -13.242  -0.832 -14.271
  253   2HB   SER  29          1HB       SER  29 -13.394  -2.530 -13.830
  254    HG   SER  29           HG       SER  29 -13.603  -3.044 -15.876
  255    H    GLU  30           H        GLU  30 -15.820  -3.371 -12.409
  256    HA   GLU  30           HA       GLU  30 -17.252  -5.048 -14.446
  257   1HB   GLU  30          2HB       GLU  30 -15.227  -5.529 -12.350
  258   2HB   GLU  30          1HB       GLU  30 -16.523  -6.722 -12.396
  259   1HG   GLU  30          2HG       GLU  30 -15.127  -5.871 -14.928
  260   2HG   GLU  30          1HG       GLU  30 -14.438  -7.125 -13.897
  261    H    HIS  31           H        HIS  31 -17.526  -3.427 -11.383
  262    HA   HIS  31           HA       HIS  31 -20.208  -4.714 -10.967
  263   1HB   HIS  31          2HB       HIS  31 -18.323  -3.592  -8.864
  264   2HB   HIS  31          1HB       HIS  31 -19.822  -4.465  -8.572
  265    HD1  HIS  31           1HD      HIS  31 -16.237  -4.963  -9.427
  266    HD2  HIS  31           2HD      HIS  31 -19.676  -7.298  -9.135
  267    HE1  HIS  31           1HE      HIS  31 -15.465  -7.373  -9.438
  268    HA   PRO  32           HA       PRO  32 -20.959  -0.260 -11.624
  269   1HB   PRO  32          2HB       PRO  32 -23.465  -0.557 -12.682
  270   2HB   PRO  32          1HB       PRO  32 -21.985  -0.702 -13.642
  271   1HG   PRO  32          2HG       PRO  32 -23.760  -2.823 -12.585
  272   2HG   PRO  32          1HG       PRO  32 -22.833  -2.769 -14.092
  273   1HD   PRO  32          2HD       PRO  32 -22.094  -4.177 -11.841
  274   2HD   PRO  32          1HD       PRO  32 -20.981  -3.656 -13.123
  275    H    GLY  33           H        GLY  33 -23.159  -2.699 -10.289
  276   1HA   GLY  33          2HA       GLY  33 -24.739  -0.798  -8.768
  277   2HA   GLY  33          1HA       GLY  33 -24.767  -2.549  -8.584
  278    H    LEU  34           H        LEU  34 -21.662  -2.287  -8.287
  279    HA   LEU  34           HA       LEU  34 -21.500  -2.525  -5.463
  280   1HB   LEU  34          2HB       LEU  34 -19.785  -2.520  -7.790
  281   2HB   LEU  34          1HB       LEU  34 -19.005  -1.621  -6.498
  282    HG   LEU  34           HG       LEU  34 -18.465  -4.068  -6.486
  283   1HD1  LEU  34          1HD1      LEU  34 -18.074  -3.150  -4.411
  284   2HD1  LEU  34          2HD1      LEU  34 -19.315  -4.328  -3.986
  285   3HD1  LEU  34          3HD1      LEU  34 -19.746  -2.630  -4.203
  286   1HD2  LEU  34          1HD2      LEU  34 -21.102  -4.469  -7.040
  287   2HD2  LEU  34          2HD2      LEU  34 -21.104  -4.727  -5.295
  288   3HD2  LEU  34          3HD2      LEU  34 -20.060  -5.702  -6.331
  289    H    SER  35           H        SER  35 -22.776  -0.566  -4.778
  290    HA   SER  35           HA       SER  35 -21.697   2.112  -5.170
  291   1HB   SER  35          2HB       SER  35 -23.429   2.657  -3.456
  292   2HB   SER  35          1HB       SER  35 -24.073   1.642  -4.745
  293    HG   SER  35           HG       SER  35 -24.467   1.055  -2.415
  294    H    ILE  36           H        ILE  36 -21.134   3.435  -3.077
  295    HA   ILE  36           HA       ILE  36 -18.727   2.541  -1.922
  296    HB   ILE  36           HB       ILE  36 -20.852   4.427  -0.852
  297   1HG1  ILE  36          2HG1      ILE  36 -19.979   5.035  -3.082
  298   2HG1  ILE  36          1HG1      ILE  36 -19.418   6.175  -1.863
  299   1HG2  ILE  36          1HG2      ILE  36 -17.974   3.970  -0.027
  300   2HG2  ILE  36          2HG2      ILE  36 -19.412   3.901   0.989
  301   3HG2  ILE  36          3HG2      ILE  36 -18.852   5.450   0.361
  302   1HD1  ILE  36          1HD1      ILE  36 -17.518   5.634  -3.232
  303   2HD1  ILE  36          2HD1      ILE  36 -17.852   3.906  -3.119
  304   3HD1  ILE  36          3HD1      ILE  36 -17.293   4.792  -1.700
  305    H    GLY  37           H        GLY  37 -22.043   1.911  -0.900
  306   1HA   GLY  37          2HA       GLY  37 -21.531   0.959   1.735
  307   2HA   GLY  37          1HA       GLY  37 -22.901   0.465   0.738
  308    H    ASP  38           H        ASP  38 -22.256  -1.116  -1.086
  309    HA   ASP  38           HA       ASP  38 -21.080  -3.473   0.092
  310   1HB   ASP  38          2HB       ASP  38 -22.196  -2.578  -2.523
  311   2HB   ASP  38          1HB       ASP  38 -21.175  -4.017  -2.551
  312    H    THR  39           H        THR  39 -19.784  -0.882  -1.909
  313    HA   THR  39           HA       THR  39 -17.384  -2.217  -2.793
  314    HB   THR  39           HB       THR  39 -18.050   0.711  -2.338
  315    HG1  THR  39           1HG      THR  39 -18.078  -0.908  -4.666
  316   1HG2  THR  39          1HG2      THR  39 -15.765  -0.645  -3.785
  317   2HG2  THR  39          2HG2      THR  39 -15.666   0.554  -2.496
  318   3HG2  THR  39          3HG2      THR  39 -16.230   1.028  -4.098
  319    H    ALA  40           H        ALA  40 -18.276  -0.541   0.170
  320    HA   ALA  40           HA       ALA  40 -15.563  -0.308   1.207
  321   1HB   ALA  40          1HB       ALA  40 -16.864   0.204   3.321
  322   2HB   ALA  40          2HB       ALA  40 -18.338  -0.166   2.426
  323   3HB   ALA  40          3HB       ALA  40 -17.324   1.191   1.934
  324    H    LYS  41           H        LYS  41 -18.304  -2.516   1.829
  325    HA   LYS  41           HA       LYS  41 -16.690  -4.200   3.603
  326   1HB   LYS  41          2HB       LYS  41 -18.782  -5.446   3.836
  327   2HB   LYS  41          1HB       LYS  41 -19.098  -3.719   3.955
  328   1HG   LYS  41          2HG       LYS  41 -19.546  -3.889   1.376
  329   2HG   LYS  41          1HG       LYS  41 -19.733  -5.607   1.700
  330   1HD   LYS  41          2HD       LYS  41 -21.913  -4.522   1.846
  331   2HD   LYS  41          1HD       LYS  41 -21.422  -5.069   3.447
  332   1HE   LYS  41          2HE       LYS  41 -20.376  -2.434   3.154
  333   2HE   LYS  41          1HE       LYS  41 -22.062  -2.387   2.599
  334   1HZ   LYS  41          1HZ       LYS  41 -21.998  -2.139   4.985
  335   2HZ   LYS  41          2HZ       LYS  41 -21.080  -3.560   5.149
  336   3HZ   LYS  41          3HZ       LYS  41 -22.686  -3.640   4.599
  337    H    LYS  42           H        LYS  42 -17.186  -4.084   0.179
  338    HA   LYS  42           HA       LYS  42 -16.911  -6.950  -0.314
  339   1HB   LYS  42          2HB       LYS  42 -18.065  -5.428  -1.865
  340   2HB   LYS  42          1HB       LYS  42 -16.590  -4.483  -2.063
  341   1HG   LYS  42          2HG       LYS  42 -16.775  -5.948  -3.968
  342   2HG   LYS  42          1HG       LYS  42 -15.479  -6.574  -2.949
  343   1HD   LYS  42          2HD       LYS  42 -16.589  -8.553  -3.120
  344   2HD   LYS  42          1HD       LYS  42 -17.657  -7.868  -1.896
  345   1HE   LYS  42          2HE       LYS  42 -19.362  -7.516  -3.392
  346   2HE   LYS  42          1HE       LYS  42 -18.247  -7.116  -4.716
  347   1HZ   LYS  42          1HZ       LYS  42 -18.684  -9.825  -3.570
  348   2HZ   LYS  42          2HZ       LYS  42 -17.583  -9.444  -4.806
  349   3HZ   LYS  42          3HZ       LYS  42 -19.253  -9.288  -5.075
  350    H    LEU  43           H        LEU  43 -14.733  -4.176  -1.010
  351    HA   LEU  43           HA       LEU  43 -12.410  -5.625  -1.669
  352   1HB   LEU  43          2HB       LEU  43 -12.981  -2.947  -0.420
  353   2HB   LEU  43          1HB       LEU  43 -11.313  -3.470  -0.641
  354    HG   LEU  43           HG       LEU  43 -12.424  -4.081  -3.089
  355   1HD1  LEU  43          1HD1      LEU  43 -14.528  -2.985  -2.605
  356   2HD1  LEU  43          2HD1      LEU  43 -13.635  -1.975  -3.742
  357   3HD1  LEU  43          3HD1      LEU  43 -13.695  -1.540  -2.033
  358   1HD2  LEU  43          1HD2      LEU  43 -10.288  -2.996  -2.853
  359   2HD2  LEU  43          2HD2      LEU  43 -11.027  -1.570  -2.123
  360   3HD2  LEU  43          3HD2      LEU  43 -11.298  -1.928  -3.829
  361    H    GLY  44           H        GLY  44 -13.788  -4.965   1.503
  362   1HA   GLY  44          2HA       GLY  44 -11.442  -5.697   3.035
  363   2HA   GLY  44          1HA       GLY  44 -13.088  -5.584   3.664
  364    H    GLU  45           H        GLU  45 -14.396  -7.425   2.035
  365    HA   GLU  45           HA       GLU  45 -13.965  -9.907   3.315
  366   1HB   GLU  45          2HB       GLU  45 -15.351  -8.900   0.872
  367   2HB   GLU  45          1HB       GLU  45 -15.151 -10.647   1.017
  368   1HG   GLU  45          2HG       GLU  45 -16.226  -8.998   3.304
  369   2HG   GLU  45          1HG       GLU  45 -17.289  -9.610   2.035
  370    H    MET  46           H        MET  46 -12.535  -8.618   0.346
  371    HA   MET  46           HA       MET  46 -11.248 -11.124  -0.435
  372   1HB   MET  46          2HB       MET  46 -10.848  -8.216  -1.221
  373   2HB   MET  46          1HB       MET  46 -10.114  -9.584  -2.058
  374   1HG   MET  46          2HG       MET  46 -13.099  -9.388  -1.643
  375   2HG   MET  46          1HG       MET  46 -12.305  -8.673  -3.046
  376   1HE   MET  46          1HE       MET  46 -12.087 -10.334  -5.382
  377   2HE   MET  46          2HE       MET  46 -10.706 -11.342  -4.953
  378   3HE   MET  46          3HE       MET  46 -10.768  -9.667  -4.409
  379    H    TRP  47           H        TRP  47 -10.106  -8.037   0.957
  380    HA   TRP  47           HA       TRP  47  -7.380  -8.576   1.301
  381   1HB   TRP  47          2HB       TRP  47  -8.672  -6.465   1.781
  382   2HB   TRP  47          1HB       TRP  47  -9.212  -7.202   3.290
  383    HD1  TRP  47           HD       TRP  47  -7.676  -6.943   5.308
  384    HE1  TRP  47           1HE      TRP  47  -5.250  -6.151   5.677
  385    HE3  TRP  47           3HE      TRP  47  -6.168  -6.430   0.456
  386    HZ2  TRP  47           2HZ      TRP  47  -2.971  -5.400   4.120
  387    HZ3  TRP  47           3HZ      TRP  47  -3.866  -5.676  -0.072
  388    HH2  TRP  47           HH       TRP  47  -2.268  -5.160   1.751
  389    H    SER  48           H        SER  48  -9.952  -9.250   3.726
  390    HA   SER  48           HA       SER  48  -8.263 -10.591   5.607
  391   1HB   SER  48          2HB       SER  48 -10.588  -9.660   5.940
  392   2HB   SER  48          1HB       SER  48 -11.210 -11.042   5.040
  393    HG   SER  48           HG       SER  48 -11.235 -11.474   7.258
  394    H    GLU  49           H        GLU  49 -10.048 -11.752   2.777
  395    HA   GLU  49           HA       GLU  49  -9.779 -14.571   3.242
  396   1HB   GLU  49          2HB       GLU  49 -10.357 -12.713   0.987
  397   2HB   GLU  49          1HB       GLU  49  -9.866 -14.349   0.547
  398   1HG   GLU  49          2HG       GLU  49 -11.999 -13.868   2.626
  399   2HG   GLU  49          1HG       GLU  49 -12.393 -13.916   0.908
  400    H    GLN  50           H        GLN  50  -7.688 -12.217   1.581
  401    HA   GLN  50           HA       GLN  50  -5.769 -13.984   0.465
  402   1HB   GLN  50          2HB       GLN  50  -5.541 -11.192   1.628
  403   2HB   GLN  50          1HB       GLN  50  -4.290 -11.950   0.642
  404   1HG   GLN  50          2HG       GLN  50  -7.134 -11.763  -0.340
  405   2HG   GLN  50          1HG       GLN  50  -6.009 -10.423  -0.557
  406   1HE2  GLN  50          1HE2      GLN  50  -4.477 -10.596  -2.245
  407   2HE2  GLN  50          2HE2      GLN  50  -4.280 -11.982  -3.204
  408    H    SER  51           H        SER  51  -3.633 -14.556   1.259
  409    HA   SER  51           HA       SER  51  -3.616 -15.249   4.132
  410   1HB   SER  51          2HB       SER  51  -3.022 -16.804   2.224
  411   2HB   SER  51          1HB       SER  51  -1.607 -15.801   1.921
  412    HG   SER  51           HG       SER  51  -2.250 -17.314   4.230
  413    H    ALA  52           H        ALA  52  -0.620 -15.162   4.196
  414    HA   ALA  52           HA       ALA  52  -0.340 -12.323   4.970
  415   1HB   ALA  52          1HB       ALA  52   1.543 -14.698   5.160
  416   2HB   ALA  52          2HB       ALA  52   0.386 -14.227   6.405
  417   3HB   ALA  52          3HB       ALA  52   1.730 -13.159   6.002
  418    H    LYS  53           H        LYS  53  -0.592 -12.537   2.178
  419    HA   LYS  53           HA       LYS  53   2.209 -11.986   1.246
  420   1HB   LYS  53          2HB       LYS  53  -0.094 -13.514   0.037
  421   2HB   LYS  53          1HB       LYS  53   1.171 -12.839  -0.990
  422   1HG   LYS  53          2HG       LYS  53   2.820 -14.008   0.642
  423   2HG   LYS  53          1HG       LYS  53   1.414 -14.946   1.151
  424   1HD   LYS  53          2HD       LYS  53   1.108 -15.870  -1.009
  425   2HD   LYS  53          1HD       LYS  53   2.152 -14.665  -1.763
  426   1HE   LYS  53          2HE       LYS  53   3.463 -16.675  -1.635
  427   2HE   LYS  53          1HE       LYS  53   4.049 -15.645  -0.312
  428   1HZ   LYS  53          1HZ       LYS  53   1.943 -17.732  -0.074
  429   2HZ   LYS  53          2HZ       LYS  53   2.497 -16.734   1.185
  430   3HZ   LYS  53          3HZ       LYS  53   3.538 -17.880   0.485
  431    H    ASP  54           H        ASP  54  -1.262 -11.327   0.730
  432    HA   ASP  54           HA       ASP  54  -1.087  -9.242  -1.161
  433   1HB   ASP  54          2HB       ASP  54  -3.294  -8.579  -0.212
  434   2HB   ASP  54          1HB       ASP  54  -3.165 -10.324  -0.423
  435    H    LYS  55           H        LYS  55  -0.355  -9.173   2.284
  436    HA   LYS  55           HA       LYS  55  -0.040  -6.201   2.175
  437   1HB   LYS  55          2HB       LYS  55  -1.486  -7.474   3.892
  438   2HB   LYS  55          1HB       LYS  55   0.042  -7.982   4.612
  439   1HG   LYS  55          2HG       LYS  55   0.690  -5.532   4.709
  440   2HG   LYS  55          1HG       LYS  55  -0.970  -5.151   4.247
  441   1HD   LYS  55          2HD       LYS  55  -1.765  -6.471   6.224
  442   2HD   LYS  55          1HD       LYS  55  -0.083  -6.671   6.715
  443   1HE   LYS  55          2HE       LYS  55  -1.197  -3.914   6.188
  444   2HE   LYS  55          1HE       LYS  55  -1.405  -4.695   7.768
  445   1HZ   LYS  55          1HZ       LYS  55   1.177  -4.335   6.339
  446   2HZ   LYS  55          2HZ       LYS  55   0.977  -5.111   7.837
  447   3HZ   LYS  55          3HZ       LYS  55   0.670  -3.446   7.692
  448    H    GLN  56           H        GLN  56   1.939  -8.296   1.130
  449    HA   GLN  56           HA       GLN  56   4.212  -7.856   3.004
  450   1HB   GLN  56          2HB       GLN  56   3.394  -9.853   1.007
  451   2HB   GLN  56          1HB       GLN  56   5.104  -9.439   0.920
  452   1HG   GLN  56          2HG       GLN  56   3.790 -10.056   3.563
  453   2HG   GLN  56          1HG       GLN  56   4.405 -11.346   2.530
  454   1HE2  GLN  56          1HE2      GLN  56   5.315  -8.947   4.842
  455   2HE2  GLN  56          2HE2      GLN  56   6.996  -9.136   4.701
  456    HA   PRO  57           HA       PRO  57   5.983  -5.919  -0.914
  457   1HB   PRO  57          2HB       PRO  57   4.610  -5.907  -3.258
  458   2HB   PRO  57          1HB       PRO  57   5.623  -7.272  -2.748
  459   1HG   PRO  57          2HG       PRO  57   2.697  -6.999  -2.763
  460   2HG   PRO  57          1HG       PRO  57   3.691  -8.448  -2.935
  461   1HD   PRO  57          2HD       PRO  57   2.324  -7.614  -0.634
  462   2HD   PRO  57          1HD       PRO  57   3.556  -8.886  -0.730
  463    H    TYR  58           H        TYR  58   2.447  -5.521  -0.905
  464    HA   TYR  58           HA       TYR  58   2.558  -2.702  -1.675
  465   1HB   TYR  58          2HB       TYR  58   0.655  -4.835  -1.435
  466   2HB   TYR  58          1HB       TYR  58   0.056  -3.470  -0.495
  467    HD1  TYR  58           1HD      TYR  58   0.035  -1.153  -1.626
  468    HD2  TYR  58           2HD      TYR  58   0.483  -4.838  -3.786
  469    HE1  TYR  58           1HE      TYR  58  -0.644  -0.009  -3.718
  470    HE2  TYR  58           2HE      TYR  58  -0.197  -3.695  -5.878
  471    HH   TYR  58           HH       TYR  58  -1.801  -1.078  -6.103
  472    H    GLU  59           H        GLU  59   3.476  -4.090   1.187
  473    HA   GLU  59           HA       GLU  59   2.156  -2.092   2.942
  474   1HB   GLU  59          2HB       GLU  59   3.007  -3.518   4.724
  475   2HB   GLU  59          1HB       GLU  59   2.288  -4.537   3.486
  476   1HG   GLU  59          2HG       GLU  59   4.250  -5.685   3.535
  477   2HG   GLU  59          1HG       GLU  59   4.900  -4.332   2.615
  478    H    GLN  60           H        GLN  60   5.187  -2.674   1.326
  479    HA   GLN  60           HA       GLN  60   6.836  -1.044   3.097
  480   1HB   GLN  60          2HB       GLN  60   8.508  -1.414   1.324
  481   2HB   GLN  60          1HB       GLN  60   7.668  -2.918   1.688
  482   1HG   GLN  60          2HG       GLN  60   6.061  -1.939  -0.277
  483   2HG   GLN  60          1HG       GLN  60   7.613  -1.268  -0.777
  484   1HE2  GLN  60          1HE2      GLN  60   8.141  -2.685  -2.503
  485   2HE2  GLN  60          2HE2      GLN  60   8.315  -4.363  -2.317
  486    H    LYS  61           H        LYS  61   4.760  -0.467   0.342
  487    HA   LYS  61           HA       LYS  61   5.814   2.005  -0.619
  488   1HB   LYS  61          2HB       LYS  61   4.120   0.652  -1.771
  489   2HB   LYS  61          1HB       LYS  61   2.980   0.919  -0.454
  490   1HG   LYS  61          2HG       LYS  61   2.775   3.239  -0.968
  491   2HG   LYS  61          1HG       LYS  61   4.180   3.202  -2.034
  492   1HD   LYS  61          2HD       LYS  61   2.811   1.442  -3.387
  493   2HD   LYS  61          1HD       LYS  61   1.423   2.089  -2.510
  494   1HE   LYS  61          2HE       LYS  61   2.399   4.425  -3.274
  495   2HE   LYS  61          1HE       LYS  61   3.177   3.449  -4.535
  496   1HZ   LYS  61          1HZ       LYS  61   1.046   2.467  -5.065
  497   2HZ   LYS  61          2HZ       LYS  61   0.942   4.158  -5.196
  498   3HZ   LYS  61          3HZ       LYS  61   0.286   3.365  -3.844
  499    H    ALA  62           H        ALA  62   3.471   1.303   1.978
  500    HA   ALA  62           HA       ALA  62   2.937   4.078   2.624
  501   1HB   ALA  62          1HB       ALA  62   2.448   1.372   3.822
  502   2HB   ALA  62          2HB       ALA  62   1.280   2.581   3.289
  503   3HB   ALA  62          3HB       ALA  62   2.149   2.804   4.808
  504    H    ALA  63           H        ALA  63   5.666   2.085   3.224
  505    HA   ALA  63           HA       ALA  63   6.419   3.536   5.709
  506   1HB   ALA  63          1HB       ALA  63   7.814   1.301   4.209
  507   2HB   ALA  63          2HB       ALA  63   6.578   1.033   5.437
  508   3HB   ALA  63          3HB       ALA  63   8.104   1.800   5.876
  509    H    LYS  64           H        LYS  64   6.648   4.197   2.472
  510    HA   LYS  64           HA       LYS  64   9.444   5.242   2.611
  511   1HB   LYS  64          2HB       LYS  64   7.486   4.703   0.355
  512   2HB   LYS  64          1HB       LYS  64   9.077   5.423   0.117
  513   1HG   LYS  64          2HG       LYS  64   8.702   2.777   1.529
  514   2HG   LYS  64          1HG       LYS  64   8.919   2.887  -0.218
  515   1HD   LYS  64          2HD       LYS  64  11.136   2.756   0.291
  516   2HD   LYS  64          1HD       LYS  64  10.963   4.475   0.643
  517   1HE   LYS  64          2HE       LYS  64  11.840   3.829   2.679
  518   2HE   LYS  64          1HE       LYS  64  10.148   3.416   3.018
  519   1HZ   LYS  64          1HZ       LYS  64  11.647   1.526   3.404
  520   2HZ   LYS  64          2HZ       LYS  64  12.130   1.583   1.776
  521   3HZ   LYS  64          3HZ       LYS  64  10.523   1.203   2.176
  522    H    LEU  65           H        LEU  65   6.094   6.146   1.862
  523    HA   LEU  65           HA       LEU  65   6.730   8.969   1.447
  524   1HB   LEU  65          2HB       LEU  65   4.300   9.135   1.161
  525   2HB   LEU  65          1HB       LEU  65   4.888   7.700   0.327
  526    HG   LEU  65           HG       LEU  65   4.377   6.626   2.755
  527   1HD1  LEU  65          1HD1      LEU  65   1.990   8.389   2.486
  528   2HD1  LEU  65          2HD1      LEU  65   3.434   9.106   3.201
  529   3HD1  LEU  65          3HD1      LEU  65   2.706   7.676   3.932
  530   1HD2  LEU  65          1HD2      LEU  65   2.258   7.114   0.633
  531   2HD2  LEU  65          2HD2      LEU  65   2.314   5.768   1.772
  532   3HD2  LEU  65          3HD2      LEU  65   3.531   5.901   0.503
  533    H    LYS  66           H        LYS  66   6.655   7.133   4.255
  534    HA   LYS  66           HA       LYS  66   5.327   9.162   5.949
  535   1HB   LYS  66          2HB       LYS  66   5.147   6.592   6.112
  536   2HB   LYS  66          1HB       LYS  66   6.783   6.639   6.769
  537   1HG   LYS  66          2HG       LYS  66   6.123   7.824   8.682
  538   2HG   LYS  66          1HG       LYS  66   4.643   8.412   7.923
  539   1HD   LYS  66          2HD       LYS  66   3.957   6.702   9.446
  540   2HD   LYS  66          1HD       LYS  66   3.876   5.978   7.839
  541   1HE   LYS  66          2HE       LYS  66   6.305   5.177   8.291
  542   2HE   LYS  66          1HE       LYS  66   5.947   5.532   9.993
  543   1HZ   LYS  66          1HZ       LYS  66   4.319   3.816   8.192
  544   2HZ   LYS  66          2HZ       LYS  66   3.931   4.196   9.802
  545   3HZ   LYS  66          3HZ       LYS  66   5.309   3.265   9.454
  546    H    GLU  67           H        GLU  67   8.521   8.205   4.887
  547    HA   GLU  67           HA       GLU  67   9.938   9.507   7.113
  548   1HB   GLU  67          2HB       GLU  67  10.659   8.179   4.495
  549   2HB   GLU  67          1HB       GLU  67  11.881   8.985   5.480
  550   1HG   GLU  67          2HG       GLU  67  11.042   7.563   7.432
  551   2HG   GLU  67          1HG       GLU  67  10.152   6.622   6.235
  552    H    LYS  68           H        LYS  68   8.444  10.522   4.186
  553    HA   LYS  68           HA       LYS  68  10.159  12.963   3.993
  554   1HB   LYS  68          2HB       LYS  68   9.160  11.159   2.116
  555   2HB   LYS  68          1HB       LYS  68   8.059  12.530   1.982
  556   1HG   LYS  68          2HG       LYS  68  10.128  14.016   1.861
  557   2HG   LYS  68          1HG       LYS  68  11.067  12.535   1.661
  558   1HD   LYS  68          2HD       LYS  68  10.634  13.179  -0.557
  559   2HD   LYS  68          1HD       LYS  68   9.367  11.992  -0.239
  560   1HE   LYS  68          2HE       LYS  68   7.699  13.640  -0.025
  561   2HE   LYS  68          1HE       LYS  68   8.882  14.926   0.291
  562   1HZ   LYS  68          1HZ       LYS  68   8.102  15.018  -2.001
  563   2HZ   LYS  68          2HZ       LYS  68   8.603  13.415  -2.255
  564   3HZ   LYS  68          3HZ       LYS  68   9.752  14.629  -1.945
  565    H    TYR  69           H        TYR  69   6.904  11.770   4.600
  566    HA   TYR  69           HA       TYR  69   5.589  14.371   4.583
  567   1HB   TYR  69          2HB       TYR  69   4.275  12.444   4.115
  568   2HB   TYR  69          1HB       TYR  69   4.960  11.544   5.460
  569    HD1  TYR  69           1HD      TYR  69   3.444  14.977   5.287
  570    HD2  TYR  69           2HD      TYR  69   3.230  11.017   6.932
  571    HE1  TYR  69           1HE      TYR  69   1.553  15.677   6.730
  572    HE2  TYR  69           2HE      TYR  69   1.341  11.718   8.377
  573    HH   TYR  69           HH       TYR  69  -0.503  13.634   8.188
  574    H    GLU  70           H        GLU  70   6.507  12.099   7.202
  575    HA   GLU  70           HA       GLU  70   5.821  13.709   9.420
  576   1HB   GLU  70          2HB       GLU  70   7.833  11.539   8.873
  577   2HB   GLU  70          1HB       GLU  70   7.760  12.291  10.467
  578   1HG   GLU  70          2HG       GLU  70   5.292  11.207   9.101
  579   2HG   GLU  70          1HG       GLU  70   6.317  10.193  10.118
  580    H    LYS  71           H        LYS  71   8.494  14.105   7.203
  581    HA   LYS  71           HA       LYS  71   9.867  15.958   9.106
  582   1HB   LYS  71          2HB       LYS  71  10.635  14.382   6.656
  583   2HB   LYS  71          1HB       LYS  71  11.635  15.734   7.190
  584   1HG   LYS  71          2HG       LYS  71  11.972  14.715   9.357
  585   2HG   LYS  71          1HG       LYS  71  10.810  13.441   8.990
  586   1HD   LYS  71          2HD       LYS  71  12.350  12.901   6.975
  587   2HD   LYS  71          1HD       LYS  71  13.558  13.866   7.827
  588   1HE   LYS  71          2HE       LYS  71  13.743  12.338   9.575
  589   2HE   LYS  71          1HE       LYS  71  12.096  11.717   9.340
  590   1HZ   LYS  71          1HZ       LYS  71  14.334  11.382   7.413
  591   2HZ   LYS  71          2HZ       LYS  71  12.766  10.749   7.251
  592   3HZ   LYS  71          3HZ       LYS  71  13.792  10.181   8.480
  593    H    ASP  72           H        ASP  72   8.220  15.819   5.985
  594    HA   ASP  72           HA       ASP  72   8.979  18.570   5.254
  595   1HB   ASP  72          2HB       ASP  72   8.703  16.652   3.659
  596   2HB   ASP  72          1HB       ASP  72   6.979  16.645   4.032
  597    H    ILE  73           H        ILE  73   6.046  16.865   6.380
  598    HA   ILE  73           HA       ILE  73   4.226  19.045   6.117
  599    HB   ILE  73           HB       ILE  73   3.740  16.598   6.517
  600   1HG1  ILE  73          2HG1      ILE  73   1.838  17.127   8.186
  601   2HG1  ILE  73          1HG1      ILE  73   2.469  18.775   8.172
  602   1HG2  ILE  73          1HG2      ILE  73   5.422  16.630   8.554
  603   2HG2  ILE  73          2HG2      ILE  73   3.996  15.593   8.600
  604   3HG2  ILE  73          3HG2      ILE  73   3.994  17.133   9.459
  605   1HD1  ILE  73          1HD1      ILE  73   1.851  17.304   5.608
  606   2HD1  ILE  73          2HD1      ILE  73   2.043  19.039   5.855
  607   3HD1  ILE  73          3HD1      ILE  73   0.610  18.214   6.469
  608    H    ALA  74           H        ALA  74   6.762  18.497   8.444
  609    HA   ALA  74           HA       ALA  74   5.780  20.010  10.663
  610   1HB   ALA  74          1HB       ALA  74   7.722  18.577  10.829
  611   2HB   ALA  74          2HB       ALA  74   8.267  20.227  11.129
  612   3HB   ALA  74          3HB       ALA  74   8.555  19.475   9.559
  613    H    ALA  75           H        ALA  75   7.469  20.975   7.694
  614    HA   ALA  75           HA       ALA  75   7.480  23.825   8.524
  615   1HB   ALA  75          1HB       ALA  75   8.548  22.270   6.149
  616   2HB   ALA  75          2HB       ALA  75   9.478  22.911   7.504
  617   3HB   ALA  75          3HB       ALA  75   8.745  24.013   6.340
  618    H    TYR  76           H        TYR  76   5.760  21.618   6.402
  619    HA   TYR  76           HA       TYR  76   4.571  23.508   4.605
  620   1HB   TYR  76          2HB       TYR  76   4.666  20.980   4.448
  621   2HB   TYR  76          1HB       TYR  76   3.398  20.922   5.674
  622    HD1  TYR  76           1HD      TYR  76   1.118  21.463   5.148
  623    HD2  TYR  76           2HD      TYR  76   4.220  22.044   2.234
  624    HE1  TYR  76           1HE      TYR  76  -0.598  21.829   3.394
  625    HE2  TYR  76           2HE      TYR  76   2.505  22.409   0.481
  626    HH   TYR  76           HH       TYR  76  -0.446  23.240   0.943
  627    H    ARG  77           H        ARG  77   3.782  22.541   7.899
  628    HA   ARG  77           HA       ARG  77   1.130  23.777   7.913
  629   1HB   ARG  77          2HB       ARG  77   3.018  22.503   9.878
  630   2HB   ARG  77          1HB       ARG  77   1.612  23.383  10.475
  631   1HG   ARG  77          2HG       ARG  77   0.102  21.963   9.254
  632   2HG   ARG  77          1HG       ARG  77   1.434  21.205   8.380
  633   1HD   ARG  77          2HD       ARG  77   2.230  20.100  10.359
  634   2HD   ARG  77          1HD       ARG  77   1.157  21.059  11.399
  635    HE   ARG  77           HE       ARG  77   0.171  19.066   9.392
  636   1HH1  ARG  77          1HH1      ARG  77  -1.435  21.422  10.779
  637   2HH1  ARG  77          2HH1      ARG  77  -2.342  20.491  11.925
  638   1HH2  ARG  77          1HH2      ARG  77  -0.424  17.631  11.520
  639   2HH2  ARG  77          2HH2      ARG  77  -1.769  18.345  12.345
  640    H    ALA  78           H        ALA  78   3.818  24.511  10.142
  641    HA   ALA  78           HA       ALA  78   4.577  26.569  11.014
  642   1HB   ALA  78          1HB       ALA  78   5.155  28.139   9.324
  643   2HB   ALA  78          2HB       ALA  78   3.780  27.682   8.319
  644   3HB   ALA  78          3HB       ALA  78   5.149  26.583   8.493
  645    H    LYS  79           H        LYS  79   1.936  26.002  11.744
  646    HA   LYS  79           HA       LYS  79   0.742  28.742  11.799
  647   1HB   LYS  79          2HB       LYS  79  -1.470  27.682  11.425
  648   2HB   LYS  79          1HB       LYS  79  -0.376  27.388  10.076
  649   1HG   LYS  79          2HG       LYS  79   0.104  25.267  11.853
  650   2HG   LYS  79          1HG       LYS  79  -1.646  25.475  11.871
  651   1HD   LYS  79          2HD       LYS  79  -0.089  25.373   9.284
  652   2HD   LYS  79          1HD       LYS  79  -0.680  23.910  10.069
  653   1HE   LYS  79          2HE       LYS  79  -2.980  25.185  10.132
  654   2HE   LYS  79          1HE       LYS  79  -2.258  26.151   8.828
  655   1HZ   LYS  79          1HZ       LYS  79  -1.689  24.104   7.674
  656   2HZ   LYS  79          2HZ       LYS  79  -3.366  24.188   7.937
  657   3HZ   LYS  79          3HZ       LYS  79  -2.399  23.182   8.908
  Start of MODEL    2
    1   1H    MET   1          1HT       MET   1 -11.155  14.058  -3.949
    2   2H    MET   1          2HT       MET   1 -10.971  14.135  -2.262
    3   3H    MET   1          3HT       MET   1 -11.834  12.852  -2.968
    4    HA   MET   1           HA       MET   1  -9.624  12.111  -2.295
    5   1HB   MET   1          2HB       MET   1 -11.013  11.556  -4.497
    6   2HB   MET   1          1HB       MET   1  -9.626  12.308  -5.286
    7   1HG   MET   1          2HG       MET   1  -8.104  10.750  -4.176
    8   2HG   MET   1          1HG       MET   1  -9.449  10.036  -3.285
    9   1HE   MET   1          1HE       MET   1  -7.213   8.614  -5.620
   10   2HE   MET   1          2HE       MET   1  -8.356   7.280  -5.741
   11   3HE   MET   1          3HE       MET   1  -8.079   8.055  -4.183
   12    H    LYS   2           H        LYS   2  -7.308  12.293  -2.671
   13    HA   LYS   2           HA       LYS   2  -5.297  13.498  -2.854
   14   1HB   LYS   2          2HB       LYS   2  -6.979  14.251  -5.203
   15   2HB   LYS   2          1HB       LYS   2  -5.526  15.207  -4.915
   16   1HG   LYS   2          2HG       LYS   2  -4.557  13.533  -6.148
   17   2HG   LYS   2          1HG       LYS   2  -4.491  12.743  -4.573
   18   1HD   LYS   2          2HD       LYS   2  -5.549  11.070  -5.745
   19   2HD   LYS   2          1HD       LYS   2  -6.971  12.006  -5.285
   20   1HE   LYS   2          2HE       LYS   2  -6.141  13.275  -7.607
   21   2HE   LYS   2          1HE       LYS   2  -5.813  11.562  -7.940
   22   1HZ   LYS   2          1HZ       LYS   2  -8.123  12.143  -8.446
   23   2HZ   LYS   2          2HZ       LYS   2  -8.355  12.637  -6.837
   24   3HZ   LYS   2          3HZ       LYS   2  -8.031  11.008  -7.188
   25    H    LYS   3           H        LYS   3  -7.272  16.235  -3.981
   26    HA   LYS   3           HA       LYS   3  -7.546  18.396  -3.072
   27   1HB   LYS   3          2HB       LYS   3  -8.717  16.670  -1.458
   28   2HB   LYS   3          1HB       LYS   3  -7.405  17.101  -0.360
   29   1HG   LYS   3          2HG       LYS   3  -8.019  19.539  -0.791
   30   2HG   LYS   3          1HG       LYS   3  -9.482  18.937  -1.572
   31   1HD   LYS   3          2HD       LYS   3  -9.938  17.627   0.562
   32   2HD   LYS   3          1HD       LYS   3  -8.639  18.556   1.308
   33   1HE   LYS   3          2HE       LYS   3  -9.909  20.654   0.465
   34   2HE   LYS   3          1HE       LYS   3 -11.287  19.556   0.254
   35   1HZ   LYS   3          1HZ       LYS   3  -9.696  19.869   2.745
   36   2HZ   LYS   3          2HZ       LYS   3 -11.011  18.815   2.534
   37   3HZ   LYS   3          3HZ       LYS   3 -11.252  20.496   2.492
   38    H    LYS   4           H        LYS   4  -4.833  17.638  -3.604
   39    HA   LYS   4           HA       LYS   4  -3.427  19.563  -1.949
   40   1HB   LYS   4          2HB       LYS   4  -3.338  16.644  -1.441
   41   2HB   LYS   4          1HB       LYS   4  -1.773  17.453  -1.452
   42   1HG   LYS   4          2HG       LYS   4  -3.119  19.222   0.046
   43   2HG   LYS   4          1HG       LYS   4  -4.060  17.781   0.431
   44   1HD   LYS   4          2HD       LYS   4  -2.220  16.669   1.366
   45   2HD   LYS   4          1HD       LYS   4  -1.054  17.690   0.522
   46   1HE   LYS   4          2HE       LYS   4  -0.995  18.504   2.751
   47   2HE   LYS   4          1HE       LYS   4  -2.094  19.634   1.935
   48   1HZ   LYS   4          1HZ       LYS   4  -3.956  18.216   2.598
   49   2HZ   LYS   4          2HZ       LYS   4  -3.114  18.799   3.954
   50   3HZ   LYS   4          3HZ       LYS   4  -2.892  17.196   3.439
   51    H    ASP   5           H        ASP   5  -0.821  18.872  -2.481
   52    HA   ASP   5           HA       ASP   5  -0.738  18.625  -5.473
   53   1HB   ASP   5          2HB       ASP   5   0.404  20.555  -3.510
   54   2HB   ASP   5          1HB       ASP   5   1.425  20.128  -4.884
   55    HA   PRO   6           HA       PRO   6   2.293  15.475  -4.912
   56   1HB   PRO   6          2HB       PRO   6   4.091  15.966  -6.914
   57   2HB   PRO   6          1HB       PRO   6   2.473  15.297  -7.209
   58   1HG   PRO   6          2HG       PRO   6   3.461  18.084  -7.544
   59   2HG   PRO   6          1HG       PRO   6   2.334  17.156  -8.547
   60   1HD   PRO   6          2HD       PRO   6   1.546  19.056  -6.755
   61   2HD   PRO   6          1HD       PRO   6   0.535  17.675  -7.235
   62    H    ASN   7           H        ASN   7   3.314  18.812  -4.827
   63    HA   ASN   7           HA       ASN   7   6.060  18.282  -3.961
   64   1HB   ASN   7          2HB       ASN   7   4.235  20.693  -4.099
   65   2HB   ASN   7          1HB       ASN   7   5.886  20.799  -3.486
   66   1HD2  ASN   7          1HD2      ASN   7   4.059  21.049  -6.316
   67   2HD2  ASN   7          2HD2      ASN   7   5.305  20.816  -7.445
   68    H    ALA   8           H        ALA   8   2.936  18.848  -2.422
   69    HA   ALA   8           HA       ALA   8   4.162  19.084   0.265
   70   1HB   ALA   8          1HB       ALA   8   1.891  19.643   0.924
   71   2HB   ALA   8          2HB       ALA   8   1.256  19.033  -0.604
   72   3HB   ALA   8          3HB       ALA   8   2.245  20.493  -0.579
   73    HA   PRO   9           HA       PRO   9   3.604  14.698   0.860
   74   1HB   PRO   9          2HB       PRO   9   4.043  14.581   3.554
   75   2HB   PRO   9          1HB       PRO   9   5.350  14.782   2.373
   76   1HG   PRO   9          2HG       PRO   9   4.036  16.808   4.103
   77   2HG   PRO   9          1HG       PRO   9   5.733  16.661   3.621
   78   1HD   PRO   9          2HD       PRO   9   3.963  18.429   2.499
   79   2HD   PRO   9          1HD       PRO   9   5.408  17.805   1.674
   80    H    LYS  10           H        LYS  10   1.322  14.552   0.455
   81    HA   LYS  10           HA       LYS  10  -0.733  15.490   2.200
   82   1HB   LYS  10          2HB       LYS  10  -2.136  13.915   0.881
   83   2HB   LYS  10          1HB       LYS  10  -1.064  14.856  -0.154
   84   1HG   LYS  10          2HG       LYS  10   0.283  12.445   0.721
   85   2HG   LYS  10          1HG       LYS  10  -1.268  12.034  -0.006
   86   1HD   LYS  10          2HD       LYS  10  -0.718  13.151  -2.048
   87   2HD   LYS  10          1HD       LYS  10   0.695  13.922  -1.325
   88   1HE   LYS  10          2HE       LYS  10   0.524  10.916  -1.360
   89   2HE   LYS  10          1HE       LYS  10   1.047  11.785  -2.817
   90   1HZ   LYS  10          1HZ       LYS  10   2.921  11.300  -1.335
   91   2HZ   LYS  10          2HZ       LYS  10   2.168  12.180  -0.091
   92   3HZ   LYS  10          3HZ       LYS  10   2.678  12.970  -1.505
   93    H    ARG  11           H        ARG  11  -2.351  13.371   2.861
   94    HA   ARG  11           HA       ARG  11  -1.283  12.392   5.308
   95   1HB   ARG  11          2HB       ARG  11  -3.678  12.138   3.660
   96   2HB   ARG  11          1HB       ARG  11  -3.301  10.617   4.466
   97   1HG   ARG  11          2HG       ARG  11  -4.665  11.805   6.009
   98   2HG   ARG  11          1HG       ARG  11  -3.019  12.011   6.607
   99   1HD   ARG  11          2HD       ARG  11  -2.941  14.200   5.290
  100   2HD   ARG  11          1HD       ARG  11  -4.693  14.018   5.074
  101    HE   ARG  11           HE       ARG  11  -4.626  13.701   7.698
  102   1HH1  ARG  11          1HH2      ARG  11  -1.678  14.824   6.985
  103   2HH1  ARG  11          2HH2      ARG  11  -1.844  16.395   7.697
  104   1HH2  ARG  11          1HH1      ARG  11  -5.277  16.135   8.108
  105   2HH2  ARG  11          2HH1      ARG  11  -3.882  17.137   8.333
  106    HA   PRO  12           HA       PRO  12   1.154   9.032   3.677
  107   1HB   PRO  12          2HB       PRO  12   1.741   7.766   6.027
  108   2HB   PRO  12          1HB       PRO  12   2.536   9.267   5.518
  109   1HG   PRO  12          2HG       PRO  12   0.381   8.850   7.509
  110   2HG   PRO  12          1HG       PRO  12   1.708  10.020   7.501
  111   1HD   PRO  12          2HD       PRO  12  -0.909  10.595   6.832
  112   2HD   PRO  12          1HD       PRO  12   0.503  11.556   6.341
  113    HA   PRO  13           HA       PRO  13  -2.078   5.947   3.655
  114   1HB   PRO  13          2HB       PRO  13  -0.920   4.167   1.937
  115   2HB   PRO  13          1HB       PRO  13  -1.656   5.691   1.401
  116   1HG   PRO  13          2HG       PRO  13   1.194   4.971   1.681
  117   2HG   PRO  13          1HG       PRO  13   0.414   6.100   0.566
  118   1HD   PRO  13          2HD       PRO  13   1.821   6.777   2.886
  119   2HD   PRO  13          1HD       PRO  13   0.748   7.847   1.963
  120    H    SER  14           H        SER  14  -1.812   3.236   3.616
  121    HA   SER  14           HA       SER  14   0.343   2.306   5.375
  122   1HB   SER  14          2HB       SER  14  -2.333   3.159   6.337
  123   2HB   SER  14          1HB       SER  14  -1.728   1.645   7.001
  124    HG   SER  14           HG       SER  14  -0.850   4.236   7.357
  125    H    ALA  15           H        ALA  15  -0.045   1.163   3.014
  126    HA   ALA  15           HA       ALA  15  -0.425  -0.887   1.967
  127   1HB   ALA  15          1HB       ALA  15   0.048  -2.510   3.460
  128   2HB   ALA  15          2HB       ALA  15  -1.587  -2.406   4.107
  129   3HB   ALA  15          3HB       ALA  15  -0.307  -1.398   4.780
  130    H    PHE  16           H        PHE  16  -3.096  -1.152   4.347
  131    HA   PHE  16           HA       PHE  16  -5.113  -1.986   2.655
  132   1HB   PHE  16          2HB       PHE  16  -4.990  -1.509   5.206
  133   2HB   PHE  16          1HB       PHE  16  -5.585   0.096   4.783
  134    HD1  PHE  16           1HD      PHE  16  -7.887   0.428   4.733
  135    HD2  PHE  16           2HD      PHE  16  -6.323  -3.506   4.006
  136    HE1  PHE  16           1HE      PHE  16 -10.197  -0.462   4.571
  137    HE2  PHE  16           2HE      PHE  16  -8.633  -4.395   3.844
  138    HZ   PHE  16           HZ       PHE  16 -10.569  -2.873   4.127
  139    H    PHE  17           H        PHE  17  -4.476   1.459   3.436
  140    HA   PHE  17           HA       PHE  17  -6.439   2.610   1.735
  141   1HB   PHE  17          2HB       PHE  17  -4.757   3.562   3.541
  142   2HB   PHE  17          1HB       PHE  17  -3.735   3.862   2.134
  143    HD1  PHE  17           1HD      PHE  17  -6.740   4.854   3.945
  144    HD2  PHE  17           2HD      PHE  17  -4.550   5.322   0.279
  145    HE1  PHE  17           1HE      PHE  17  -8.069   6.878   3.408
  146    HE2  PHE  17           2HE      PHE  17  -5.878   7.346  -0.257
  147    HZ   PHE  17           HZ       PHE  17  -7.638   8.124   1.308
  148    H    LEU  18           H        LEU  18  -3.163   1.447   1.016
  149    HA   LEU  18           HA       LEU  18  -2.993   2.546  -1.652
  150   1HB   LEU  18          2HB       LEU  18  -1.638   0.106  -0.450
  151   2HB   LEU  18          1HB       LEU  18  -1.067   1.044  -1.824
  152    HG   LEU  18           HG       LEU  18  -1.284   1.999   1.050
  153   1HD1  LEU  18          1HD1      LEU  18   1.167   1.819  -0.699
  154   2HD1  LEU  18          2HD1      LEU  18   0.634   0.467   0.300
  155   3HD1  LEU  18          3HD1      LEU  18   1.085   1.996   1.053
  156   1HD2  LEU  18          1HD2      LEU  18  -1.706   3.978  -0.106
  157   2HD2  LEU  18          2HD2      LEU  18  -0.841   3.439  -1.545
  158   3HD2  LEU  18          3HD2      LEU  18   0.058   3.976  -0.125
  159    H    PHE  19           H        PHE  19  -4.099  -0.566  -0.329
  160    HA   PHE  19           HA       PHE  19  -4.542  -1.793  -2.939
  161   1HB   PHE  19          2HB       PHE  19  -4.012  -2.965  -0.780
  162   2HB   PHE  19          1HB       PHE  19  -5.610  -2.510  -0.191
  163    HD1  PHE  19           1HD      PHE  19  -7.647  -3.472  -1.181
  164    HD2  PHE  19           2HD      PHE  19  -3.736  -4.658  -2.503
  165    HE1  PHE  19           1HE      PHE  19  -8.630  -5.441  -2.323
  166    HE2  PHE  19           2HE      PHE  19  -4.718  -6.628  -3.644
  167    HZ   PHE  19           HZ       PHE  19  -7.166  -7.020  -3.554
  168    H    CYS  20           H        CYS  20  -6.773  -0.687  -0.358
  169    HA   CYS  20           HA       CYS  20  -9.210  -1.028  -1.766
  170   1HB   CYS  20          2HB       CYS  20  -8.161   0.417   0.576
  171   2HB   CYS  20          1HB       CYS  20  -9.576   1.189  -0.133
  172    HG   CYS  20           HG       CYS  20  -9.816  -1.852   0.410
  173    H    SER  21           H        SER  21  -7.284   1.969  -1.429
  174    HA   SER  21           HA       SER  21  -8.848   3.615  -3.142
  175   1HB   SER  21          2HB       SER  21  -7.049   4.311  -1.546
  176   2HB   SER  21          1HB       SER  21  -5.851   3.662  -2.662
  177    HG   SER  21           HG       SER  21  -6.222   5.275  -4.014
  178    H    GLU  22           H        GLU  22  -6.687   1.008  -3.960
  179    HA   GLU  22           HA       GLU  22  -6.530   1.946  -6.792
  180   1HB   GLU  22          2HB       GLU  22  -4.950   0.083  -5.054
  181   2HB   GLU  22          1HB       GLU  22  -4.773   0.045  -6.804
  182   1HG   GLU  22          2HG       GLU  22  -4.472   2.553  -5.130
  183   2HG   GLU  22          1HG       GLU  22  -3.118   1.552  -5.652
  184    H    TYR  23           H        TYR  23  -8.189  -0.341  -4.811
  185    HA   TYR  23           HA       TYR  23  -8.630  -2.207  -7.092
  186   1HB   TYR  23          2HB       TYR  23  -8.677  -2.282  -4.140
  187   2HB   TYR  23          1HB       TYR  23  -9.964  -3.211  -4.909
  188    HD1  TYR  23           1HD      TYR  23  -6.279  -2.581  -5.258
  189    HD2  TYR  23           2HD      TYR  23  -9.507  -5.397  -5.580
  190    HE1  TYR  23           1HE      TYR  23  -4.659  -4.374  -5.816
  191    HE2  TYR  23           2HE      TYR  23  -7.885  -7.191  -6.135
  192    HH   TYR  23           HH       TYR  23  -5.291  -7.032  -7.272
  193    H    ARG  24           H        ARG  24 -10.378   0.038  -4.970
  194    HA   ARG  24           HA       ARG  24 -13.038  -0.562  -5.462
  195   1HB   ARG  24          2HB       ARG  24 -11.636   2.113  -5.293
  196   2HB   ARG  24          1HB       ARG  24 -13.383   1.903  -5.188
  197   1HG   ARG  24          2HG       ARG  24 -13.257   0.736  -3.158
  198   2HG   ARG  24          1HG       ARG  24 -11.561   0.315  -3.397
  199   1HD   ARG  24          2HD       ARG  24 -10.844   2.563  -2.934
  200   2HD   ARG  24          1HD       ARG  24 -12.510   3.172  -3.004
  201    HE   ARG  24           HE       ARG  24 -11.781   1.101  -0.979
  202   1HH1  ARG  24          1HH1      ARG  24 -14.518   2.274  -1.012
  203   2HH1  ARG  24          2HH1      ARG  24 -14.403   3.523   0.184
  204   1HH2  ARG  24          1HH2      ARG  24 -10.935   3.557   0.200
  205   2HH2  ARG  24          2HH2      ARG  24 -12.376   4.250   0.869
  206    HA   PRO  25           HA       PRO  25 -13.039   2.117  -9.524
  207   1HB   PRO  25          2HB       PRO  25 -10.620   2.289 -10.822
  208   2HB   PRO  25          1HB       PRO  25 -11.235   3.534  -9.715
  209   1HG   PRO  25          2HG       PRO  25  -9.316   1.306  -9.169
  210   2HG   PRO  25          1HG       PRO  25  -9.214   3.015  -8.704
  211   1HD   PRO  25          2HD       PRO  25  -9.991   1.196  -6.946
  212   2HD   PRO  25          1HD       PRO  25 -10.789   2.782  -6.997
  213    H    LYS  26           H        LYS  26 -10.954  -0.654  -9.003
  214    HA   LYS  26           HA       LYS  26 -11.250  -1.858 -11.631
  215   1HB   LYS  26          2HB       LYS  26  -9.548  -2.317  -9.740
  216   2HB   LYS  26          1HB       LYS  26 -10.842  -3.245  -8.975
  217   1HG   LYS  26          2HG       LYS  26 -10.138  -3.773 -11.849
  218   2HG   LYS  26          1HG       LYS  26  -9.148  -4.472 -10.567
  219   1HD   LYS  26          2HD       LYS  26 -11.401  -5.260  -9.548
  220   2HD   LYS  26          1HD       LYS  26 -12.069  -4.937 -11.148
  221   1HE   LYS  26          2HE       LYS  26 -10.780  -6.612 -12.170
  222   2HE   LYS  26          1HE       LYS  26  -9.574  -6.609 -10.868
  223   1HZ   LYS  26          1HZ       LYS  26 -12.416  -7.417 -10.547
  224   2HZ   LYS  26          2HZ       LYS  26 -11.212  -7.472  -9.350
  225   3HZ   LYS  26          3HZ       LYS  26 -11.119  -8.500 -10.698
  226    H    ILE  27           H        ILE  27 -12.851  -2.252  -8.487
  227    HA   ILE  27           HA       ILE  27 -14.729  -4.280  -9.140
  228    HB   ILE  27           HB       ILE  27 -14.951  -1.879  -7.281
  229   1HG1  ILE  27          2HG1      ILE  27 -12.946  -3.217  -6.803
  230   2HG1  ILE  27          1HG1      ILE  27 -14.141  -3.441  -5.535
  231   1HG2  ILE  27          1HG2      ILE  27 -16.442  -4.518  -7.309
  232   2HG2  ILE  27          2HG2      ILE  27 -17.125  -2.917  -7.594
  233   3HG2  ILE  27          3HG2      ILE  27 -16.512  -3.342  -5.995
  234   1HD1  ILE  27          1HD1      ILE  27 -13.308  -5.616  -6.064
  235   2HD1  ILE  27          2HD1      ILE  27 -13.478  -5.331  -7.797
  236   3HD1  ILE  27          3HD1      ILE  27 -14.914  -5.509  -6.789
  237    H    LYS  28           H        LYS  28 -14.730  -0.823  -9.794
  238    HA   LYS  28           HA       LYS  28 -17.553  -0.616 -10.390
  239   1HB   LYS  28          2HB       LYS  28 -15.446   1.237 -11.501
  240   2HB   LYS  28          1HB       LYS  28 -17.064   1.622 -10.931
  241   1HG   LYS  28          2HG       LYS  28 -14.568   1.120  -9.355
  242   2HG   LYS  28          1HG       LYS  28 -15.647   2.491  -9.264
  243   1HD   LYS  28          2HD       LYS  28 -16.146  -0.307  -8.186
  244   2HD   LYS  28          1HD       LYS  28 -15.919   1.169  -7.259
  245   1HE   LYS  28          2HE       LYS  28 -18.182   0.904  -9.260
  246   2HE   LYS  28          1HE       LYS  28 -18.356   0.410  -7.565
  247   1HZ   LYS  28          1HZ       LYS  28 -17.507   2.611  -6.915
  248   2HZ   LYS  28          2HZ       LYS  28 -18.969   2.714  -7.775
  249   3HZ   LYS  28          3HZ       LYS  28 -17.500   3.081  -8.546
  250    H    SER  29           H        SER  29 -14.680  -1.297 -12.343
  251    HA   SER  29           HA       SER  29 -15.923  -0.998 -14.926
  252   1HB   SER  29          2HB       SER  29 -13.460  -1.080 -14.337
  253   2HB   SER  29          1HB       SER  29 -13.638  -2.817 -14.107
  254    HG   SER  29           HG       SER  29 -13.990  -3.076 -16.222
  255    H    GLU  30           H        GLU  30 -15.992  -3.558 -12.537
  256    HA   GLU  30           HA       GLU  30 -17.368  -5.359 -14.500
  257   1HB   GLU  30          2HB       GLU  30 -15.476  -5.721 -12.212
  258   2HB   GLU  30          1HB       GLU  30 -16.632  -7.010 -12.538
  259   1HG   GLU  30          2HG       GLU  30 -15.775  -6.541 -15.056
  260   2HG   GLU  30          1HG       GLU  30 -14.325  -6.082 -14.163
  261    H    HIS  31           H        HIS  31 -17.795  -3.504 -11.620
  262    HA   HIS  31           HA       HIS  31 -20.445  -4.837 -11.183
  263   1HB   HIS  31          2HB       HIS  31 -18.631  -3.710  -9.023
  264   2HB   HIS  31          1HB       HIS  31 -20.118  -4.616  -8.787
  265    HD1  HIS  31           1HD      HIS  31 -16.504  -5.033  -9.623
  266    HD2  HIS  31           2HD      HIS  31 -19.886  -7.441  -9.254
  267    HE1  HIS  31           1HE      HIS  31 -15.677  -7.424  -9.585
  268    HA   PRO  32           HA       PRO  32 -21.107  -0.375 -11.893
  269   1HB   PRO  32          2HB       PRO  32 -23.562  -0.647 -13.071
  270   2HB   PRO  32          1HB       PRO  32 -22.037  -0.808 -13.958
  271   1HG   PRO  32          2HG       PRO  32 -23.890  -2.908 -12.993
  272   2HG   PRO  32          1HG       PRO  32 -22.879  -2.868 -14.446
  273   1HD   PRO  32          2HD       PRO  32 -22.285  -4.275 -12.150
  274   2HD   PRO  32          1HD       PRO  32 -21.101  -3.784 -13.378
  275    H    GLY  33           H        GLY  33 -23.448  -2.766 -10.699
  276   1HA   GLY  33          2HA       GLY  33 -25.056  -0.846  -9.247
  277   2HA   GLY  33          1HA       GLY  33 -25.107  -2.596  -9.048
  278    H    LEU  34           H        LEU  34 -22.089  -2.535  -8.583
  279    HA   LEU  34           HA       LEU  34 -21.978  -2.725  -5.791
  280   1HB   LEU  34          2HB       LEU  34 -20.203  -2.668  -8.056
  281   2HB   LEU  34          1HB       LEU  34 -19.474  -1.741  -6.755
  282    HG   LEU  34           HG       LEU  34 -18.876  -4.184  -6.734
  283   1HD1  LEU  34          1HD1      LEU  34 -18.547  -3.112  -4.685
  284   2HD1  LEU  34          2HD1      LEU  34 -19.597  -4.461  -4.250
  285   3HD1  LEU  34          3HD1      LEU  34 -20.272  -2.842  -4.436
  286   1HD2  LEU  34          1HD2      LEU  34 -21.472  -4.675  -7.313
  287   2HD2  LEU  34          2HD2      LEU  34 -21.532  -4.846  -5.559
  288   3HD2  LEU  34          3HD2      LEU  34 -20.438  -5.854  -6.506
  289    H    SER  35           H        SER  35 -23.189  -0.882  -4.921
  290    HA   SER  35           HA       SER  35 -22.252   1.860  -5.288
  291   1HB   SER  35          2HB       SER  35 -24.022   0.639  -3.145
  292   2HB   SER  35          1HB       SER  35 -23.967   2.335  -3.617
  293    HG   SER  35           HG       SER  35 -25.393   0.344  -4.675
  294    H    ILE  36           H        ILE  36 -21.628   3.144  -3.206
  295    HA   ILE  36           HA       ILE  36 -19.159   2.214  -2.158
  296    HB   ILE  36           HB       ILE  36 -21.176   4.199  -1.050
  297   1HG1  ILE  36          2HG1      ILE  36 -20.429   4.710  -3.349
  298   2HG1  ILE  36          1HG1      ILE  36 -19.765   5.873  -2.207
  299   1HG2  ILE  36          1HG2      ILE  36 -19.072   5.207  -0.006
  300   2HG2  ILE  36          2HG2      ILE  36 -18.267   3.685  -0.388
  301   3HG2  ILE  36          3HG2      ILE  36 -19.641   3.702   0.717
  302   1HD1  ILE  36          1HD1      ILE  36 -17.665   4.456  -2.130
  303   2HD1  ILE  36          2HD1      ILE  36 -17.974   5.231  -3.684
  304   3HD1  ILE  36          3HD1      ILE  36 -18.333   3.517  -3.465
  305    H    GLY  37           H        GLY  37 -22.455   1.652  -1.067
  306   1HA   GLY  37          2HA       GLY  37 -21.931   0.815   1.605
  307   2HA   GLY  37          1HA       GLY  37 -23.304   0.277   0.635
  308    H    ASP  38           H        ASP  38 -22.539  -1.314  -1.215
  309    HA   ASP  38           HA       ASP  38 -21.380  -3.633   0.103
  310   1HB   ASP  38          2HB       ASP  38 -23.190  -3.446  -1.740
  311   2HB   ASP  38          1HB       ASP  38 -21.841  -3.257  -2.860
  312    H    THR  39           H        THR  39 -20.182  -1.195  -2.173
  313    HA   THR  39           HA       THR  39 -17.765  -2.567  -2.945
  314    HB   THR  39           HB       THR  39 -18.421   0.393  -2.773
  315    HG1  THR  39           1HG      THR  39 -19.333   0.135  -4.693
  316   1HG2  THR  39          1HG2      THR  39 -16.696   0.587  -4.562
  317   2HG2  THR  39          2HG2      THR  39 -16.323  -1.124  -4.352
  318   3HG2  THR  39          3HG2      THR  39 -16.021   0.011  -3.036
  319    H    ALA  40           H        ALA  40 -18.598  -0.469  -0.230
  320    HA   ALA  40           HA       ALA  40 -15.892  -0.098   0.738
  321   1HB   ALA  40          1HB       ALA  40 -17.115   0.677   2.777
  322   2HB   ALA  40          2HB       ALA  40 -18.614   0.062   2.078
  323   3HB   ALA  40          3HB       ALA  40 -17.758   1.393   1.299
  324    H    LYS  41           H        LYS  41 -18.394  -2.537   1.258
  325    HA   LYS  41           HA       LYS  41 -16.680  -3.888   3.275
  326   1HB   LYS  41          2HB       LYS  41 -18.718  -5.106   3.841
  327   2HB   LYS  41          1HB       LYS  41 -19.054  -3.379   3.791
  328   1HG   LYS  41          2HG       LYS  41 -19.853  -3.714   1.408
  329   2HG   LYS  41          1HG       LYS  41 -19.724  -5.447   1.684
  330   1HD   LYS  41          2HD       LYS  41 -22.012  -4.782   2.124
  331   2HD   LYS  41          1HD       LYS  41 -21.247  -5.179   3.662
  332   1HE   LYS  41          2HE       LYS  41 -20.708  -2.433   3.279
  333   2HE   LYS  41          1HE       LYS  41 -22.407  -2.653   2.816
  334   1HZ   LYS  41          1HZ       LYS  41 -21.152  -3.695   5.302
  335   2HZ   LYS  41          2HZ       LYS  41 -22.778  -3.892   4.850
  336   3HZ   LYS  41          3HZ       LYS  41 -22.176  -2.346   5.215
  337    H    LYS  42           H        LYS  42 -17.314  -4.083  -0.088
  338    HA   LYS  42           HA       LYS  42 -17.020  -7.011  -0.263
  339   1HB   LYS  42          2HB       LYS  42 -18.507  -5.686  -1.746
  340   2HB   LYS  42          1HB       LYS  42 -17.114  -4.785  -2.334
  341   1HG   LYS  42          2HG       LYS  42 -17.741  -6.557  -3.915
  342   2HG   LYS  42          1HG       LYS  42 -16.153  -6.883  -3.233
  343   1HD   LYS  42          2HD       LYS  42 -16.873  -8.875  -2.458
  344   2HD   LYS  42          1HD       LYS  42 -18.125  -8.071  -1.513
  345   1HE   LYS  42          2HE       LYS  42 -19.591  -9.163  -2.874
  346   2HE   LYS  42          1HE       LYS  42 -19.142  -7.961  -4.099
  347   1HZ   LYS  42          1HZ       LYS  42 -18.736 -10.159  -4.965
  348   2HZ   LYS  42          2HZ       LYS  42 -17.798 -10.567  -3.608
  349   3HZ   LYS  42          3HZ       LYS  42 -17.249  -9.387  -4.700
  350    H    LEU  43           H        LEU  43 -14.870  -4.591   0.429
  351    HA   LEU  43           HA       LEU  43 -12.676  -5.649  -1.296
  352   1HB   LEU  43          2HB       LEU  43 -13.265  -3.143   0.242
  353   2HB   LEU  43          1HB       LEU  43 -11.578  -3.569  -0.047
  354    HG   LEU  43           HG       LEU  43 -13.586  -3.576  -2.295
  355   1HD1  LEU  43          1HD1      LEU  43 -13.641  -1.342  -1.202
  356   2HD1  LEU  43          2HD1      LEU  43 -12.928  -1.273  -2.813
  357   3HD1  LEU  43          3HD1      LEU  43 -11.890  -1.229  -1.388
  358   1HD2  LEU  43          1HD2      LEU  43 -10.574  -3.275  -2.095
  359   2HD2  LEU  43          2HD2      LEU  43 -11.485  -3.123  -3.598
  360   3HD2  LEU  43          3HD2      LEU  43 -11.455  -4.662  -2.736
  361    H    GLY  44           H        GLY  44 -13.722  -5.232   2.056
  362   1HA   GLY  44          2HA       GLY  44 -11.279  -6.142   3.289
  363   2HA   GLY  44          1HA       GLY  44 -12.859  -6.080   4.071
  364    H    GLU  45           H        GLU  45 -14.121  -7.758   1.994
  365    HA   GLU  45           HA       GLU  45 -13.867 -10.331   3.162
  366   1HB   GLU  45          2HB       GLU  45 -15.640  -9.276   1.581
  367   2HB   GLU  45          1HB       GLU  45 -14.598  -9.838   0.273
  368   1HG   GLU  45          2HG       GLU  45 -16.048 -11.654   0.554
  369   2HG   GLU  45          1HG       GLU  45 -14.671 -12.125   1.550
  370    H    MET  46           H        MET  46 -12.351  -9.038   0.192
  371    HA   MET  46           HA       MET  46 -10.815 -11.473  -0.316
  372   1HB   MET  46          2HB       MET  46 -10.606  -8.630  -1.370
  373   2HB   MET  46          1HB       MET  46  -9.809 -10.034  -2.079
  374   1HG   MET  46          2HG       MET  46 -11.962 -11.072  -2.557
  375   2HG   MET  46          1HG       MET  46 -12.809  -9.758  -1.739
  376   1HE   MET  46          1HE       MET  46 -13.832 -10.450  -4.355
  377   2HE   MET  46          2HE       MET  46 -12.338 -11.143  -4.979
  378   3HE   MET  46          3HE       MET  46 -13.098  -9.799  -5.827
  379    H    TRP  47           H        TRP  47 -10.002  -8.168   0.792
  380    HA   TRP  47           HA       TRP  47  -7.236  -8.505   1.240
  381   1HB   TRP  47          2HB       TRP  47  -8.566  -6.390   1.336
  382   2HB   TRP  47          1HB       TRP  47  -9.225  -6.909   2.888
  383    HD1  TRP  47           HD       TRP  47  -7.800  -6.509   4.991
  384    HE1  TRP  47           1HE      TRP  47  -5.450  -5.545   5.431
  385    HE3  TRP  47           3HE      TRP  47  -6.052  -6.227   0.201
  386    HZ2  TRP  47           2HZ      TRP  47  -3.134  -4.761   3.946
  387    HZ3  TRP  47           3HZ      TRP  47  -3.772  -5.370  -0.257
  388    HH2  TRP  47           HH       TRP  47  -2.312  -4.637   1.608
  389    H    SER  48           H        SER  48  -9.926  -9.803   3.083
  390    HA   SER  48           HA       SER  48  -8.268 -10.377   5.458
  391   1HB   SER  48          2HB       SER  48 -10.437 -11.351   6.237
  392   2HB   SER  48          1HB       SER  48 -10.612  -9.692   5.673
  393    HG   SER  48           HG       SER  48 -11.817 -10.380   4.090
  394    H    GLU  49           H        GLU  49  -9.688 -12.063   2.679
  395    HA   GLU  49           HA       GLU  49  -9.165 -14.757   3.494
  396   1HB   GLU  49          2HB       GLU  49  -9.813 -13.230   1.049
  397   2HB   GLU  49          1HB       GLU  49  -8.944 -14.735   0.746
  398   1HG   GLU  49          2HG       GLU  49 -11.331 -15.202   0.737
  399   2HG   GLU  49          1HG       GLU  49 -10.618 -15.929   2.179
  400    H    GLN  50           H        GLN  50  -7.155 -12.310   1.908
  401    HA   GLN  50           HA       GLN  50  -4.951 -13.987   1.160
  402   1HB   GLN  50          2HB       GLN  50  -5.228 -11.060   1.900
  403   2HB   GLN  50          1HB       GLN  50  -3.733 -11.747   1.266
  404   1HG   GLN  50          2HG       GLN  50  -6.391 -12.026  -0.153
  405   2HG   GLN  50          1HG       GLN  50  -5.273 -10.699  -0.472
  406   1HE2  GLN  50          1HE2      GLN  50  -6.150 -13.374  -1.970
  407   2HE2  GLN  50          2HE2      GLN  50  -4.661 -13.966  -2.532
  408    H    SER  51           H        SER  51  -2.868 -14.188   2.273
  409    HA   SER  51           HA       SER  51  -2.845 -13.576   5.186
  410   1HB   SER  51          2HB       SER  51  -2.472 -16.332   3.971
  411   2HB   SER  51          1HB       SER  51  -2.321 -15.939   5.681
  412    HG   SER  51           HG       SER  51  -4.474 -15.494   5.765
  413    H    ALA  52           H        ALA  52  -1.009 -12.285   5.077
  414    HA   ALA  52           HA       ALA  52   1.258 -11.697   4.781
  415   1HB   ALA  52          1HB       ALA  52   2.751 -13.443   5.429
  416   2HB   ALA  52          2HB       ALA  52   1.688 -14.692   4.780
  417   3HB   ALA  52          3HB       ALA  52   1.229 -13.814   6.239
  418    H    LYS  53           H        LYS  53  -0.025 -11.586   2.359
  419    HA   LYS  53           HA       LYS  53   2.114 -12.434   0.492
  420   1HB   LYS  53          2HB       LYS  53  -0.054 -14.057   0.893
  421   2HB   LYS  53          1HB       LYS  53  -0.635 -13.052  -0.432
  422   1HG   LYS  53          2HG       LYS  53   0.448 -14.750  -1.598
  423   2HG   LYS  53          1HG       LYS  53   1.733 -13.548  -1.467
  424   1HD   LYS  53          2HD       LYS  53   2.777 -15.547  -0.776
  425   2HD   LYS  53          1HD       LYS  53   2.351 -14.756   0.742
  426   1HE   LYS  53          2HE       LYS  53   0.360 -16.144   0.972
  427   2HE   LYS  53          1HE       LYS  53   0.644 -16.868  -0.624
  428   1HZ   LYS  53          1HZ       LYS  53   2.756 -17.700   0.127
  429   2HZ   LYS  53          2HZ       LYS  53   1.553 -18.228   1.203
  430   3HZ   LYS  53          3HZ       LYS  53   2.577 -16.941   1.633
  431    H    ASP  54           H        ASP  54  -1.271 -11.299   0.100
  432    HA   ASP  54           HA       ASP  54  -0.628  -9.371  -1.916
  433   1HB   ASP  54          2HB       ASP  54  -2.857 -10.466  -1.331
  434   2HB   ASP  54          1HB       ASP  54  -2.969  -9.322   0.007
  435    H    LYS  55           H        LYS  55  -0.917  -9.094   1.629
  436    HA   LYS  55           HA       LYS  55  -0.421  -6.179   1.510
  437   1HB   LYS  55          2HB       LYS  55  -0.959  -6.325   3.890
  438   2HB   LYS  55          1HB       LYS  55  -2.130  -7.241   2.950
  439   1HG   LYS  55          2HG       LYS  55  -1.696  -8.970   4.341
  440   2HG   LYS  55          1HG       LYS  55  -0.168  -9.128   3.477
  441   1HD   LYS  55          2HD       LYS  55   0.564  -7.196   5.169
  442   2HD   LYS  55          1HD       LYS  55  -0.720  -7.909   6.148
  443   1HE   LYS  55          2HE       LYS  55   0.343 -10.109   6.021
  444   2HE   LYS  55          1HE       LYS  55   1.594  -9.466   4.937
  445   1HZ   LYS  55          1HZ       LYS  55   2.275  -7.922   6.620
  446   2HZ   LYS  55          2HZ       LYS  55   2.282  -9.481   7.298
  447   3HZ   LYS  55          3HZ       LYS  55   1.017  -8.403   7.651
  448    H    GLN  56           H        GLN  56   1.665  -8.438   0.944
  449    HA   GLN  56           HA       GLN  56   3.662  -7.880   3.063
  450   1HB   GLN  56          2HB       GLN  56   3.149  -9.897   0.989
  451   2HB   GLN  56          1HB       GLN  56   4.849  -9.452   1.112
  452   1HG   GLN  56          2HG       GLN  56   4.451  -9.722   3.692
  453   2HG   GLN  56          1HG       GLN  56   3.062 -10.687   3.188
  454   1HE2  GLN  56          1HE2      GLN  56   6.511 -10.707   3.559
  455   2HE2  GLN  56          2HE2      GLN  56   6.786 -12.240   2.880
  456    HA   PRO  57           HA       PRO  57   5.859  -5.922  -0.630
  457   1HB   PRO  57          2HB       PRO  57   4.712  -5.872  -3.095
  458   2HB   PRO  57          1HB       PRO  57   5.674  -7.245  -2.513
  459   1HG   PRO  57          2HG       PRO  57   2.764  -6.973  -2.802
  460   2HG   PRO  57          1HG       PRO  57   3.773  -8.419  -2.894
  461   1HD   PRO  57          2HD       PRO  57   2.188  -7.605  -0.726
  462   2HD   PRO  57          1HD       PRO  57   3.420  -8.884  -0.714
  463    H    TYR  58           H        TYR  58   2.362  -5.522  -0.644
  464    HA   TYR  58           HA       TYR  58   2.454  -2.724  -1.518
  465   1HB   TYR  58          2HB       TYR  58   0.599  -4.853  -1.379
  466   2HB   TYR  58          1HB       TYR  58  -0.035  -3.609  -0.306
  467    HD1  TYR  58           1HD      TYR  58   1.272  -4.181  -3.755
  468    HD2  TYR  58           2HD      TYR  58  -1.060  -1.660  -1.175
  469    HE1  TYR  58           1HE      TYR  58   0.505  -2.879  -5.721
  470    HE2  TYR  58           2HE      TYR  58  -1.827  -0.358  -3.141
  471    HH   TYR  58           HH       TYR  58  -0.524  -0.083  -5.785
  472    H    GLU  59           H        GLU  59   3.261  -4.106   1.418
  473    HA   GLU  59           HA       GLU  59   1.946  -2.019   3.080
  474   1HB   GLU  59          2HB       GLU  59   2.827  -3.372   4.946
  475   2HB   GLU  59          1HB       GLU  59   1.940  -4.375   3.804
  476   1HG   GLU  59          2HG       GLU  59   3.763  -5.697   3.669
  477   2HG   GLU  59          1HG       GLU  59   4.586  -4.374   2.849
  478    H    GLN  60           H        GLN  60   5.070  -2.815   1.705
  479    HA   GLN  60           HA       GLN  60   6.624  -1.079   3.454
  480   1HB   GLN  60          2HB       GLN  60   8.393  -1.535   1.760
  481   2HB   GLN  60          1HB       GLN  60   7.592  -3.010   2.296
  482   1HG   GLN  60          2HG       GLN  60   6.408  -3.248   0.295
  483   2HG   GLN  60          1HG       GLN  60   6.585  -1.548  -0.134
  484   1HE2  GLN  60          1HE2      GLN  60   8.108  -4.699  -0.309
  485   2HE2  GLN  60          2HE2      GLN  60   9.467  -4.208  -1.200
  486    H    LYS  61           H        LYS  61   4.682  -0.617   0.598
  487    HA   LYS  61           HA       LYS  61   5.874   1.719  -0.522
  488   1HB   LYS  61          2HB       LYS  61   4.098   0.348  -1.563
  489   2HB   LYS  61          1HB       LYS  61   2.966   0.862  -0.314
  490   1HG   LYS  61          2HG       LYS  61   2.885   3.069  -1.115
  491   2HG   LYS  61          1HG       LYS  61   4.404   2.903  -1.997
  492   1HD   LYS  61          2HD       LYS  61   3.219   1.166  -3.445
  493   2HD   LYS  61          1HD       LYS  61   1.716   1.708  -2.698
  494   1HE   LYS  61          2HE       LYS  61   1.744   3.155  -4.507
  495   2HE   LYS  61          1HE       LYS  61   2.745   4.113  -3.397
  496   1HZ   LYS  61          1HZ       LYS  61   3.796   2.068  -5.281
  497   2HZ   LYS  61          2HZ       LYS  61   4.714   3.080  -4.271
  498   3HZ   LYS  61          3HZ       LYS  61   3.832   3.740  -5.565
  499    H    ALA  62           H        ALA  62   3.390   1.379   2.035
  500    HA   ALA  62           HA       ALA  62   3.099   4.228   2.484
  501   1HB   ALA  62          1HB       ALA  62   1.312   2.827   3.148
  502   2HB   ALA  62          2HB       ALA  62   2.079   3.255   4.677
  503   3HB   ALA  62          3HB       ALA  62   2.391   1.682   3.944
  504    H    ALA  63           H        ALA  63   5.618   2.036   3.273
  505    HA   ALA  63           HA       ALA  63   6.445   3.410   5.748
  506   1HB   ALA  63          1HB       ALA  63   7.752   1.277   4.026
  507   2HB   ALA  63          2HB       ALA  63   6.683   0.965   5.394
  508   3HB   ALA  63          3HB       ALA  63   8.251   1.729   5.656
  509    H    LYS  64           H        LYS  64   6.553   4.339   2.584
  510    HA   LYS  64           HA       LYS  64   9.330   5.433   2.696
  511   1HB   LYS  64          2HB       LYS  64   7.279   4.885   0.543
  512   2HB   LYS  64          1HB       LYS  64   8.688   5.893   0.230
  513   1HG   LYS  64          2HG       LYS  64   8.919   3.122   1.412
  514   2HG   LYS  64          1HG       LYS  64   8.934   3.406  -0.329
  515   1HD   LYS  64          2HD       LYS  64  10.760   5.062   1.358
  516   2HD   LYS  64          1HD       LYS  64  11.195   3.373   1.093
  517   1HE   LYS  64          2HE       LYS  64  10.868   3.778  -1.395
  518   2HE   LYS  64          1HE       LYS  64  10.742   5.508  -1.015
  519   1HZ   LYS  64          1HZ       LYS  64  13.034   4.957  -1.458
  520   2HZ   LYS  64          2HZ       LYS  64  12.999   3.707  -0.309
  521   3HZ   LYS  64          3HZ       LYS  64  12.861   5.325   0.188
  522    H    LEU  65           H        LEU  65   5.919   6.247   2.431
  523    HA   LEU  65           HA       LEU  65   6.345   9.117   2.054
  524   1HB   LEU  65          2HB       LEU  65   4.084   7.191   2.406
  525   2HB   LEU  65          1HB       LEU  65   3.760   8.899   2.693
  526    HG   LEU  65           HG       LEU  65   5.024   9.231   0.410
  527   1HD1  LEU  65          1HD1      LEU  65   4.378   7.215  -1.083
  528   2HD1  LEU  65          2HD1      LEU  65   4.265   6.310   0.427
  529   3HD1  LEU  65          3HD1      LEU  65   5.796   7.043  -0.049
  530   1HD2  LEU  65          1HD2      LEU  65   2.663   9.780   0.765
  531   2HD2  LEU  65          2HD2      LEU  65   2.223   8.079   0.617
  532   3HD2  LEU  65          3HD2      LEU  65   2.850   8.953  -0.781
  533    H    LYS  66           H        LYS  66   6.869   7.216   4.742
  534    HA   LYS  66           HA       LYS  66   5.674   9.090   6.709
  535   1HB   LYS  66          2HB       LYS  66   5.601   6.526   6.809
  536   2HB   LYS  66          1HB       LYS  66   7.325   6.596   7.183
  537   1HG   LYS  66          2HG       LYS  66   6.949   7.779   9.207
  538   2HG   LYS  66          1HG       LYS  66   5.294   8.186   8.755
  539   1HD   LYS  66          2HD       LYS  66   5.054   6.411  10.304
  540   2HD   LYS  66          1HD       LYS  66   4.871   5.641   8.729
  541   1HE   LYS  66          2HE       LYS  66   7.192   4.881   8.773
  542   2HE   LYS  66          1HE       LYS  66   7.476   5.754  10.292
  543   1HZ   LYS  66          1HZ       LYS  66   6.915   3.423  10.700
  544   2HZ   LYS  66          2HZ       LYS  66   5.437   3.628   9.886
  545   3HZ   LYS  66          3HZ       LYS  66   5.735   4.459  11.338
  546    H    GLU  67           H        GLU  67   8.755   8.195   5.278
  547    HA   GLU  67           HA       GLU  67  10.364   9.599   7.305
  548   1HB   GLU  67          2HB       GLU  67  10.766   7.995   4.810
  549   2HB   GLU  67          1HB       GLU  67  12.079   9.054   5.328
  550   1HG   GLU  67          2HG       GLU  67  10.752   7.211   7.304
  551   2HG   GLU  67          1HG       GLU  67  12.017   6.605   6.233
  552    H    LYS  68           H        LYS  68   8.666  10.446   4.414
  553    HA   LYS  68           HA       LYS  68  10.338  12.882   3.990
  554   1HB   LYS  68          2HB       LYS  68   8.295  11.329   2.394
  555   2HB   LYS  68          1HB       LYS  68   8.784  12.955   1.912
  556   1HG   LYS  68          2HG       LYS  68  11.171  12.180   1.945
  557   2HG   LYS  68          1HG       LYS  68  10.588  10.543   2.245
  558   1HD   LYS  68          2HD       LYS  68  10.852  10.619  -0.100
  559   2HD   LYS  68          1HD       LYS  68   9.125  10.895   0.136
  560   1HE   LYS  68          2HE       LYS  68   9.696  12.621  -1.359
  561   2HE   LYS  68          1HE       LYS  68   9.845  13.441   0.209
  562   1HZ   LYS  68          1HZ       LYS  68  12.182  12.846   0.267
  563   2HZ   LYS  68          2HZ       LYS  68  11.846  13.746  -1.134
  564   3HZ   LYS  68          3HZ       LYS  68  12.051  12.062  -1.231
  565    H    TYR  69           H        TYR  69   7.153  11.754   4.961
  566    HA   TYR  69           HA       TYR  69   5.830  14.345   4.866
  567   1HB   TYR  69          2HB       TYR  69   4.693  12.140   4.725
  568   2HB   TYR  69          1HB       TYR  69   5.213  11.774   6.369
  569    HD1  TYR  69           1HD      TYR  69   2.705  13.342   4.335
  570    HD2  TYR  69           2HD      TYR  69   4.471  13.379   8.248
  571    HE1  TYR  69           1HE      TYR  69   0.710  14.516   5.224
  572    HE2  TYR  69           2HE      TYR  69   2.478  14.553   9.138
  573    HH   TYR  69           HH       TYR  69   0.655  15.931   8.355
  574    H    GLU  70           H        GLU  70   6.999  12.294   7.558
  575    HA   GLU  70           HA       GLU  70   6.566  14.278   9.608
  576   1HB   GLU  70          2HB       GLU  70   8.172  11.732   9.356
  577   2HB   GLU  70          1HB       GLU  70   8.148  12.663  10.854
  578   1HG   GLU  70          2HG       GLU  70   5.642  12.536  10.825
  579   2HG   GLU  70          1HG       GLU  70   5.758  11.461   9.432
  580    H    LYS  71           H        LYS  71   8.994  14.106   7.185
  581    HA   LYS  71           HA       LYS  71  10.963  15.598   8.864
  582   1HB   LYS  71          2HB       LYS  71  11.013  13.952   6.350
  583   2HB   LYS  71          1HB       LYS  71  12.307  15.116   6.643
  584   1HG   LYS  71          2HG       LYS  71  12.527  14.050   8.967
  585   2HG   LYS  71          1HG       LYS  71  11.515  12.747   8.343
  586   1HD   LYS  71          2HD       LYS  71  13.143  12.457   6.460
  587   2HD   LYS  71          1HD       LYS  71  14.188  13.650   7.234
  588   1HE   LYS  71          2HE       LYS  71  13.218  11.277   8.819
  589   2HE   LYS  71          1HE       LYS  71  14.616  11.115   7.737
  590   1HZ   LYS  71          1HZ       LYS  71  15.300  11.852   9.948
  591   2HZ   LYS  71          2HZ       LYS  71  14.283  13.207   9.824
  592   3HZ   LYS  71          3HZ       LYS  71  15.618  13.044   8.785
  593    H    ASP  72           H        ASP  72   8.937  15.878   5.972
  594    HA   ASP  72           HA       ASP  72  10.045  18.553   5.336
  595   1HB   ASP  72          2HB       ASP  72   9.522  16.714   3.663
  596   2HB   ASP  72          1HB       ASP  72   7.815  16.992   4.008
  597    H    ILE  73           H        ILE  73   7.145  17.092   6.724
  598    HA   ILE  73           HA       ILE  73   5.446  19.412   6.491
  599    HB   ILE  73           HB       ILE  73   4.874  16.935   6.880
  600   1HG1  ILE  73          2HG1      ILE  73   2.960  17.690   8.538
  601   2HG1  ILE  73          1HG1      ILE  73   3.627  19.295   8.235
  602   1HG2  ILE  73          1HG2      ILE  73   6.418  16.801   8.931
  603   2HG2  ILE  73          2HG2      ILE  73   4.818  16.078   9.095
  604   3HG2  ILE  73          3HG2      ILE  73   5.147  17.660   9.801
  605   1HD1  ILE  73          1HD1      ILE  73   3.426  18.869   5.781
  606   2HD1  ILE  73          2HD1      ILE  73   1.868  18.847   6.606
  607   3HD1  ILE  73          3HD1      ILE  73   2.642  17.331   6.144
  608    H    ALA  74           H        ALA  74   7.998  18.573   8.715
  609    HA   ALA  74           HA       ALA  74   7.210  20.165  10.975
  610   1HB   ALA  74          1HB       ALA  74   9.553  19.884  11.610
  611   2HB   ALA  74          2HB       ALA  74   9.986  19.486   9.947
  612   3HB   ALA  74          3HB       ALA  74   8.978  18.383  10.884
  613    H    ALA  75           H        ALA  75   9.407  20.889   8.242
  614    HA   ALA  75           HA       ALA  75   9.646  23.711   9.026
  615   1HB   ALA  75          1HB       ALA  75  10.572  22.069   6.649
  616   2HB   ALA  75          2HB       ALA  75  11.528  22.503   8.067
  617   3HB   ALA  75          3HB       ALA  75  11.030  23.750   6.923
  618    H    TYR  76           H        TYR  76   7.568  21.815   6.971
  619    HA   TYR  76           HA       TYR  76   6.811  23.847   5.074
  620   1HB   TYR  76          2HB       TYR  76   6.471  21.357   4.909
  621   2HB   TYR  76          1HB       TYR  76   5.212  21.495   6.137
  622    HD1  TYR  76           1HD      TYR  76   3.036  22.336   5.602
  623    HD2  TYR  76           2HD      TYR  76   6.209  22.547   2.714
  624    HE1  TYR  76           1HE      TYR  76   1.400  22.979   3.852
  625    HE2  TYR  76           2HE      TYR  76   4.573  23.190   0.964
  626    HH   TYR  76           HH       TYR  76   2.147  24.393   1.071
  627    H    ARG  77           H        ARG  77   5.824  23.156   8.379
  628    HA   ARG  77           HA       ARG  77   3.441  24.887   8.222
  629   1HB   ARG  77          2HB       ARG  77   4.816  23.161  10.273
  630   2HB   ARG  77          1HB       ARG  77   3.556  24.289  10.775
  631   1HG   ARG  77          2HG       ARG  77   1.896  23.188   9.552
  632   2HG   ARG  77          1HG       ARG  77   3.060  22.443   8.457
  633   1HD   ARG  77          2HD       ARG  77   3.423  20.671   9.857
  634   2HD   ARG  77          1HD       ARG  77   3.373  21.690  11.310
  635    HE   ARG  77           HE       ARG  77   0.851  21.108   9.818
  636   1HH1  ARG  77          1HH2      ARG  77   1.739  22.479  12.617
  637   2HH1  ARG  77          2HH2      ARG  77   0.930  21.379  13.683
  638   1HH2  ARG  77          1HH1      ARG  77   0.258  19.052  11.201
  639   2HH2  ARG  77          2HH1      ARG  77   0.092  19.439  12.882
  640    H    ALA  78           H        ALA  78   5.913  24.948  10.792
  641    HA   ALA  78           HA       ALA  78   6.949  27.580  10.149
  642   1HB   ALA  78          1HB       ALA  78   4.836  28.439  10.746
  643   2HB   ALA  78          2HB       ALA  78   5.743  28.574  12.252
  644   3HB   ALA  78          3HB       ALA  78   4.610  27.242  12.022
  645    H    LYS  79           H        LYS  79   8.239  25.213  10.866
  646    HA   LYS  79           HA       LYS  79   8.881  25.322  13.751
  647   1HB   LYS  79          2HB       LYS  79   9.551  23.565  11.410
  648   2HB   LYS  79          1HB       LYS  79  10.394  23.378  12.944
  649   1HG   LYS  79          2HG       LYS  79   7.379  23.312  12.631
  650   2HG   LYS  79          1HG       LYS  79   8.399  21.877  12.730
  651   1HD   LYS  79          2HD       LYS  79   9.300  23.109  14.916
  652   2HD   LYS  79          1HD       LYS  79   7.705  23.859  14.856
  653   1HE   LYS  79          2HE       LYS  79   7.941  20.873  14.540
  654   2HE   LYS  79          1HE       LYS  79   7.974  21.597  16.160
  655   1HZ   LYS  79          1HZ       LYS  79   5.939  22.759  15.688
  656   2HZ   LYS  79          2HZ       LYS  79   5.697  21.104  15.389
  657   3HZ   LYS  79          3HZ       LYS  79   5.919  22.180  14.093
  Start of MODEL    3
    1   1H    MET   1          1HT       MET   1 -13.051  13.080  -2.897
    2   2H    MET   1          2HT       MET   1 -13.659  12.591  -1.388
    3   3H    MET   1          3HT       MET   1 -14.156  11.797  -2.805
    4    HA   MET   1           HA       MET   1 -12.538  10.444  -1.609
    5   1HB   MET   1          2HB       MET   1 -12.726  11.087  -4.263
    6   2HB   MET   1          1HB       MET   1 -11.022  11.429  -3.957
    7   1HG   MET   1          2HG       MET   1 -10.987   9.152  -4.521
    8   2HG   MET   1          1HG       MET   1 -11.027   9.107  -2.759
    9   1HE   MET   1          1HE       MET   1 -13.157   6.182  -4.490
   10   2HE   MET   1          2HE       MET   1 -11.511   6.782  -4.306
   11   3HE   MET   1          3HE       MET   1 -12.472   7.281  -5.694
   12    H    LYS   2           H        LYS   2  -9.947  10.325  -1.599
   13    HA   LYS   2           HA       LYS   2  -9.037  12.623   0.028
   14   1HB   LYS   2          2HB       LYS   2  -8.243   9.790  -0.515
   15   2HB   LYS   2          1HB       LYS   2  -6.998  10.892   0.076
   16   1HG   LYS   2          2HG       LYS   2  -7.970   9.937   2.031
   17   2HG   LYS   2          1HG       LYS   2  -8.664  11.554   1.906
   18   1HD   LYS   2          2HD       LYS   2 -10.740  10.754   1.196
   19   2HD   LYS   2          1HD       LYS   2 -10.066   9.234   0.609
   20   1HE   LYS   2          2HE       LYS   2  -9.451   9.150   3.306
   21   2HE   LYS   2          1HE       LYS   2 -11.043   9.932   3.285
   22   1HZ   LYS   2          1HZ       LYS   2 -10.323   7.433   1.848
   23   2HZ   LYS   2          2HZ       LYS   2 -11.839   8.199   1.796
   24   3HZ   LYS   2          3HZ       LYS   2 -11.274   7.522   3.250
   25    H    LYS   3           H        LYS   3  -7.905  14.263  -0.924
   26    HA   LYS   3           HA       LYS   3  -5.757  13.802  -2.799
   27   1HB   LYS   3          2HB       LYS   3  -7.981  13.507  -4.086
   28   2HB   LYS   3          1HB       LYS   3  -8.167  15.252  -3.900
   29   1HG   LYS   3          2HG       LYS   3  -5.842  15.487  -4.910
   30   2HG   LYS   3          1HG       LYS   3  -5.941  13.775  -5.322
   31   1HD   LYS   3          2HD       LYS   3  -6.736  14.836  -7.267
   32   2HD   LYS   3          1HD       LYS   3  -8.217  14.397  -6.414
   33   1HE   LYS   3          2HE       LYS   3  -8.635  16.608  -5.733
   34   2HE   LYS   3          1HE       LYS   3  -6.940  17.091  -5.942
   35   1HZ   LYS   3          1HZ       LYS   3  -8.317  17.852  -7.798
   36   2HZ   LYS   3          2HZ       LYS   3  -8.769  16.248  -8.129
   37   3HZ   LYS   3          3HZ       LYS   3  -7.151  16.734  -8.313
   38    H    LYS   4           H        LYS   4  -4.614  15.811  -3.274
   39    HA   LYS   4           HA       LYS   4  -5.579  18.374  -2.353
   40   1HB   LYS   4          2HB       LYS   4  -4.475  16.562  -0.449
   41   2HB   LYS   4          1HB       LYS   4  -3.279  17.831  -0.692
   42   1HG   LYS   4          2HG       LYS   4  -5.279  19.468  -0.442
   43   2HG   LYS   4          1HG       LYS   4  -6.126  18.090   0.262
   44   1HD   LYS   4          2HD       LYS   4  -3.393  18.945   1.226
   45   2HD   LYS   4          1HD       LYS   4  -4.874  19.625   1.899
   46   1HE   LYS   4          2HE       LYS   4  -4.550  16.632   1.710
   47   2HE   LYS   4          1HE       LYS   4  -3.851  17.528   3.073
   48   1HZ   LYS   4          1HZ       LYS   4  -6.030  18.604   3.380
   49   2HZ   LYS   4          2HZ       LYS   4  -6.104  16.922   3.609
   50   3HZ   LYS   4          3HZ       LYS   4  -6.681  17.610   2.168
   51    H    ASP   5           H        ASP   5  -3.006  19.481  -1.768
   52    HA   ASP   5           HA       ASP   5  -1.991  20.038  -4.375
   53   1HB   ASP   5          2HB       ASP   5  -1.176  20.447  -1.533
   54   2HB   ASP   5          1HB       ASP   5   0.049  20.729  -2.771
   55    HA   PRO   6           HA       PRO   6   0.552  16.455  -5.014
   56   1HB   PRO   6          2HB       PRO   6   2.219  17.414  -6.956
   57   2HB   PRO   6          1HB       PRO   6   0.529  16.973  -7.269
   58   1HG   PRO   6          2HG       PRO   6   1.747  19.656  -6.893
   59   2HG   PRO   6          1HG       PRO   6   0.437  19.150  -7.970
   60   1HD   PRO   6          2HD       PRO   6   0.062  20.475  -5.596
   61   2HD   PRO   6          1HD       PRO   6  -1.157  19.438  -6.368
   62    H    ASN   7           H        ASN   7   2.068  19.621  -4.521
   63    HA   ASN   7           HA       ASN   7   4.688  18.534  -3.817
   64   1HB   ASN   7          2HB       ASN   7   4.050  20.814  -4.830
   65   2HB   ASN   7          1HB       ASN   7   3.576  21.276  -3.194
   66   1HD2  ASN   7          1HD2      ASN   7   5.232  22.306  -2.083
   67   2HD2  ASN   7          2HD2      ASN   7   6.890  22.014  -2.303
   68    H    ALA   8           H        ALA   8   1.721  19.161  -2.081
   69    HA   ALA   8           HA       ALA   8   3.046  19.251   0.557
   70   1HB   ALA   8          1HB       ALA   8   1.088  20.642   0.076
   71   2HB   ALA   8          2HB       ALA   8   0.662  19.453   1.307
   72   3HB   ALA   8          3HB       ALA   8   0.153  19.214  -0.365
   73    HA   PRO   9           HA       PRO   9   2.773  14.811   0.880
   74   1HB   PRO   9          2HB       PRO   9   3.289  14.547   3.552
   75   2HB   PRO   9          1HB       PRO   9   4.551  14.896   2.355
   76   1HG   PRO   9          2HG       PRO   9   3.170  16.731   4.240
   77   2HG   PRO   9          1HG       PRO   9   4.860  16.712   3.714
   78   1HD   PRO   9          2HD       PRO   9   2.978  18.447   2.743
   79   2HD   PRO   9          1HD       PRO   9   4.425  17.944   1.841
   80    H    LYS  10           H        LYS  10   0.557  14.398   0.547
   81    HA   LYS  10           HA       LYS  10  -1.593  15.183   2.230
   82   1HB   LYS  10          2HB       LYS  10  -2.809  13.401   0.997
   83   2HB   LYS  10          1HB       LYS  10  -1.808  14.369  -0.084
   84   1HG   LYS  10          2HG       LYS  10  -0.161  12.254   0.871
   85   2HG   LYS  10          1HG       LYS  10  -1.700  11.528   0.412
   86   1HD   LYS  10          2HD       LYS  10  -1.562  12.637  -1.795
   87   2HD   LYS  10          1HD       LYS  10  -0.008  13.337  -1.339
   88   1HE   LYS  10          2HE       LYS  10   0.918  11.044  -1.036
   89   2HE   LYS  10          1HE       LYS  10  -0.631  10.372  -1.585
   90   1HZ   LYS  10          1HZ       LYS  10   1.010  10.670  -3.404
   91   2HZ   LYS  10          2HZ       LYS  10   0.971  12.345  -3.123
   92   3HZ   LYS  10          3HZ       LYS  10  -0.428  11.535  -3.647
   93    H    ARG  11           H        ARG  11  -2.967  12.847   2.901
   94    HA   ARG  11           HA       ARG  11  -1.880  12.175   5.467
   95   1HB   ARG  11          2HB       ARG  11  -4.144  11.436   3.715
   96   2HB   ARG  11          1HB       ARG  11  -3.676  10.182   4.864
   97   1HG   ARG  11          2HG       ARG  11  -5.259  11.499   6.041
   98   2HG   ARG  11          1HG       ARG  11  -3.695  12.053   6.639
   99   1HD   ARG  11          2HD       ARG  11  -3.786  13.881   4.865
  100   2HD   ARG  11          1HD       ARG  11  -5.477  13.414   4.597
  101    HE   ARG  11           HE       ARG  11  -4.396  14.637   7.066
  102   1HH1  ARG  11          1HH1      ARG  11  -6.887  15.500   5.539
  103   2HH1  ARG  11          2HH1      ARG  11  -8.139  14.921   6.585
  104   1HH2  ARG  11          1HH2      ARG  11  -6.039  12.822   8.376
  105   2HH2  ARG  11          2HH2      ARG  11  -7.660  13.405   8.191
  106    HA   PRO  12           HA       PRO  12   0.928   8.987   4.158
  107   1HB   PRO  12          2HB       PRO  12   1.401   7.799   6.575
  108   2HB   PRO  12          1HB       PRO  12   2.109   9.359   6.112
  109   1HG   PRO  12          2HG       PRO  12  -0.191   8.781   7.894
  110   2HG   PRO  12          1HG       PRO  12   1.039  10.047   8.004
  111   1HD   PRO  12          2HD       PRO  12  -1.525  10.438   7.083
  112   2HD   PRO  12          1HD       PRO  12  -0.140  11.477   6.687
  113    HA   PRO  13           HA       PRO  13  -2.058   5.655   3.934
  114   1HB   PRO  13          2HB       PRO  13  -0.711   4.059   2.177
  115   2HB   PRO  13          1HB       PRO  13  -1.578   5.525   1.680
  116   1HG   PRO  13          2HG       PRO  13   1.319   5.056   1.971
  117   2HG   PRO  13          1HG       PRO  13   0.453   6.173   0.908
  118   1HD   PRO  13          2HD       PRO  13   1.769   6.824   3.301
  119   2HD   PRO  13          1HD       PRO  13   0.655   7.866   2.392
  120    H    SER  14           H        SER  14  -1.584   3.003   3.819
  121    HA   SER  14           HA       SER  14   0.643   2.131   5.498
  122   1HB   SER  14          2HB       SER  14  -0.880   3.298   7.088
  123   2HB   SER  14          1HB       SER  14  -2.177   2.203   6.620
  124    HG   SER  14           HG       SER  14   0.269   1.607   7.921
  125    H    ALA  15           H        ALA  15   0.247   1.009   3.150
  126    HA   ALA  15           HA       ALA  15  -0.101  -1.028   2.069
  127   1HB   ALA  15          1HB       ALA  15  -1.203  -2.610   4.201
  128   2HB   ALA  15          2HB       ALA  15   0.074  -1.594   4.868
  129   3HB   ALA  15          3HB       ALA  15   0.421  -2.677   3.521
  130    H    PHE  16           H        PHE  16  -2.729  -1.395   4.483
  131    HA   PHE  16           HA       PHE  16  -4.758  -2.207   2.772
  132   1HB   PHE  16          2HB       PHE  16  -4.591  -1.838   5.350
  133   2HB   PHE  16          1HB       PHE  16  -5.247  -0.240   5.001
  134    HD1  PHE  16           1HD      PHE  16  -6.116  -3.532   5.822
  135    HD2  PHE  16           2HD      PHE  16  -7.318  -0.286   3.279
  136    HE1  PHE  16           1HE      PHE  16  -8.397  -4.494   5.671
  137    HE2  PHE  16           2HE      PHE  16  -9.598  -1.249   3.127
  138    HZ   PHE  16           HZ       PHE  16 -10.138  -3.352   4.323
  139    H    PHE  17           H        PHE  17  -4.064   1.188   3.676
  140    HA   PHE  17           HA       PHE  17  -6.092   2.436   2.126
  141   1HB   PHE  17          2HB       PHE  17  -4.025   3.174   3.813
  142   2HB   PHE  17          1HB       PHE  17  -3.505   3.845   2.267
  143    HD1  PHE  17           1HD      PHE  17  -6.232   3.817   4.780
  144    HD2  PHE  17           2HD      PHE  17  -4.668   5.683   1.243
  145    HE1  PHE  17           1HE      PHE  17  -7.857   5.672   5.042
  146    HE2  PHE  17           2HE      PHE  17  -6.293   7.539   1.504
  147    HZ   PHE  17           HZ       PHE  17  -7.887   7.533   3.404
  148    H    LEU  18           H        LEU  18  -2.928   1.164   1.184
  149    HA   LEU  18           HA       LEU  18  -2.917   2.410  -1.454
  150   1HB   LEU  18          2HB       LEU  18  -1.347   0.026  -0.420
  151   2HB   LEU  18          1HB       LEU  18  -0.895   1.095  -1.741
  152    HG   LEU  18           HG       LEU  18  -1.081   1.841   1.197
  153   1HD1  LEU  18          1HD1      LEU  18   1.153   1.271  -0.725
  154   2HD1  LEU  18          2HD1      LEU  18   0.955   0.738   0.944
  155   3HD1  LEU  18          3HD1      LEU  18   1.412   2.406   0.600
  156   1HD2  LEU  18          1HD2      LEU  18   0.046   3.993   0.194
  157   2HD2  LEU  18          2HD2      LEU  18  -1.707   3.827   0.101
  158   3HD2  LEU  18          3HD2      LEU  18  -0.713   3.474  -1.312
  159    H    PHE  19           H        PHE  19  -3.949  -0.691  -0.095
  160    HA   PHE  19           HA       PHE  19  -4.313  -1.991  -2.687
  161   1HB   PHE  19          2HB       PHE  19  -3.779  -3.096  -0.487
  162   2HB   PHE  19          1HB       PHE  19  -5.408  -2.693   0.053
  163    HD1  PHE  19           1HD      PHE  19  -3.451  -4.634  -2.435
  164    HD2  PHE  19           2HD      PHE  19  -7.322  -3.918  -0.715
  165    HE1  PHE  19           1HE      PHE  19  -4.330  -6.656  -3.571
  166    HE2  PHE  19           2HE      PHE  19  -8.201  -5.940  -1.851
  167    HZ   PHE  19           HZ       PHE  19  -6.705  -7.309  -3.279
  168    H    CYS  20           H        CYS  20  -6.612  -0.897  -0.152
  169    HA   CYS  20           HA       CYS  20  -9.014  -1.334  -1.590
  170   1HB   CYS  20          2HB       CYS  20  -8.508  -0.647   0.872
  171   2HB   CYS  20          1HB       CYS  20  -8.568   1.006   0.260
  172    HG   CYS  20           HG       CYS  20 -11.024   0.787   0.491
  173    H    SER  21           H        SER  21  -7.217   1.754  -1.268
  174    HA   SER  21           HA       SER  21  -8.775   3.323  -3.033
  175   1HB   SER  21          2HB       SER  21  -6.817   4.764  -3.062
  176   2HB   SER  21          1HB       SER  21  -6.949   4.043  -1.460
  177    HG   SER  21           HG       SER  21  -4.849   4.000  -2.843
  178    H    GLU  22           H        GLU  22  -6.500   0.771  -3.776
  179    HA   GLU  22           HA       GLU  22  -6.359   1.595  -6.635
  180   1HB   GLU  22          2HB       GLU  22  -4.842  -0.176  -4.773
  181   2HB   GLU  22          1HB       GLU  22  -4.743  -0.497  -6.502
  182   1HG   GLU  22          2HG       GLU  22  -4.201   2.203  -5.233
  183   2HG   GLU  22          1HG       GLU  22  -2.945   1.047  -5.682
  184    H    TYR  23           H        TYR  23  -7.775  -0.832  -4.523
  185    HA   TYR  23           HA       TYR  23  -8.528  -2.557  -6.817
  186   1HB   TYR  23          2HB       TYR  23  -8.393  -2.718  -3.843
  187   2HB   TYR  23          1HB       TYR  23  -9.570  -3.754  -4.651
  188    HD1  TYR  23           1HD      TYR  23  -8.868  -5.826  -5.465
  189    HD2  TYR  23           2HD      TYR  23  -5.985  -2.683  -4.954
  190    HE1  TYR  23           1HE      TYR  23  -7.052  -7.386  -6.114
  191    HE2  TYR  23           2HE      TYR  23  -4.169  -4.244  -5.602
  192    HH   TYR  23           HH       TYR  23  -4.097  -6.464  -7.080
  193    H    ARG  24           H        ARG  24  -9.805   0.241  -5.805
  194    HA   ARG  24           HA       ARG  24 -12.594  -0.582  -5.434
  195   1HB   ARG  24          2HB       ARG  24 -11.028   1.978  -5.435
  196   2HB   ARG  24          1HB       ARG  24 -12.790   2.010  -5.519
  197   1HG   ARG  24          2HG       ARG  24 -13.049   1.001  -3.423
  198   2HG   ARG  24          1HG       ARG  24 -11.418   0.331  -3.438
  199   1HD   ARG  24          2HD       ARG  24 -10.465   2.293  -2.687
  200   2HD   ARG  24          1HD       ARG  24 -11.645   3.308  -3.541
  201    HE   ARG  24           HE       ARG  24 -12.374   1.735  -1.096
  202   1HH1  ARG  24          1HH1      ARG  24 -11.442   4.658  -0.934
  203   2HH1  ARG  24          2HH1      ARG  24 -12.967   5.478  -0.861
  204   1HH2  ARG  24          1HH2      ARG  24 -14.794   2.732  -1.932
  205   2HH2  ARG  24          2HH2      ARG  24 -14.864   4.388  -1.425
  206    HA   PRO  25           HA       PRO  25 -12.981   1.677  -9.681
  207   1HB   PRO  25          2HB       PRO  25 -10.762   1.724 -11.287
  208   2HB   PRO  25          1HB       PRO  25 -11.219   3.051 -10.200
  209   1HG   PRO  25          2HG       PRO  25  -9.188   0.912  -9.829
  210   2HG   PRO  25          1HG       PRO  25  -9.119   2.626  -9.387
  211   1HD   PRO  25          2HD       PRO  25  -9.605   0.659  -7.613
  212   2HD   PRO  25          1HD       PRO  25 -10.252   2.298  -7.415
  213    H    LYS  26           H        LYS  26 -11.118  -1.165  -9.026
  214    HA   LYS  26           HA       LYS  26 -11.511  -2.544 -11.555
  215   1HB   LYS  26          2HB       LYS  26  -9.815  -3.013  -9.705
  216   2HB   LYS  26          1HB       LYS  26 -11.158  -3.663  -8.760
  217   1HG   LYS  26          2HG       LYS  26 -10.684  -4.657 -11.559
  218   2HG   LYS  26          1HG       LYS  26  -9.716  -5.295 -10.228
  219   1HD   LYS  26          2HD       LYS  26 -12.024  -5.613  -9.038
  220   2HD   LYS  26          1HD       LYS  26 -12.685  -5.500 -10.670
  221   1HE   LYS  26          2HE       LYS  26 -11.258  -7.363 -11.407
  222   2HE   LYS  26          1HE       LYS  26 -10.535  -7.463  -9.789
  223   1HZ   LYS  26          1HZ       LYS  26 -13.439  -7.703 -10.374
  224   2HZ   LYS  26          2HZ       LYS  26 -12.706  -7.854  -8.848
  225   3HZ   LYS  26          3HZ       LYS  26 -12.408  -9.011 -10.056
  226    H    ILE  27           H        ILE  27 -13.085  -2.654  -8.364
  227    HA   ILE  27           HA       ILE  27 -15.145  -4.523  -8.878
  228    HB   ILE  27           HB       ILE  27 -15.305  -1.983  -7.215
  229   1HG1  ILE  27          2HG1      ILE  27 -13.279  -3.075  -6.510
  230   2HG1  ILE  27          1HG1      ILE  27 -14.508  -3.461  -5.322
  231   1HG2  ILE  27          1HG2      ILE  27 -16.719  -4.647  -7.081
  232   2HG2  ILE  27          2HG2      ILE  27 -17.432  -3.056  -7.346
  233   3HG2  ILE  27          3HG2      ILE  27 -16.753  -3.467  -5.771
  234   1HD1  ILE  27          1HD1      ILE  27 -13.357  -5.230  -7.465
  235   2HD1  ILE  27          2HD1      ILE  27 -14.917  -5.590  -6.728
  236   3HD1  ILE  27          3HD1      ILE  27 -13.464  -5.527  -5.730
  237    H    LYS  28           H        LYS  28 -14.924  -1.090  -9.599
  238    HA   LYS  28           HA       LYS  28 -17.706  -0.726 -10.279
  239   1HB   LYS  28          2HB       LYS  28 -15.578   1.025 -11.468
  240   2HB   LYS  28          1HB       LYS  28 -17.118   1.471 -10.752
  241   1HG   LYS  28          2HG       LYS  28 -14.540   0.784  -9.368
  242   2HG   LYS  28          1HG       LYS  28 -15.433   2.284  -9.278
  243   1HD   LYS  28          2HD       LYS  28 -16.254  -0.384  -8.076
  244   2HD   LYS  28          1HD       LYS  28 -15.709   1.043  -7.205
  245   1HE   LYS  28          2HE       LYS  28 -18.123   1.172  -9.031
  246   2HE   LYS  28          1HE       LYS  28 -18.267   0.680  -7.332
  247   1HZ   LYS  28          1HZ       LYS  28 -17.057   3.193  -8.356
  248   2HZ   LYS  28          2HZ       LYS  28 -16.998   2.694  -6.733
  249   3HZ   LYS  28          3HZ       LYS  28 -18.491   3.054  -7.461
  250    H    SER  29           H        SER  29 -14.807  -1.454 -12.203
  251    HA   SER  29           HA       SER  29 -15.885  -1.144 -14.808
  252   1HB   SER  29          2HB       SER  29 -13.496  -1.581 -14.075
  253   2HB   SER  29          1HB       SER  29 -13.942  -3.272 -13.865
  254    HG   SER  29           HG       SER  29 -14.223  -3.475 -16.003
  255    H    GLU  30           H        GLU  30 -16.381  -3.687 -12.442
  256    HA   GLU  30           HA       GLU  30 -17.957  -5.255 -14.457
  257   1HB   GLU  30          2HB       GLU  30 -16.017  -5.882 -12.344
  258   2HB   GLU  30          1HB       GLU  30 -17.478  -6.860 -12.236
  259   1HG   GLU  30          2HG       GLU  30 -16.087  -6.483 -14.880
  260   2HG   GLU  30          1HG       GLU  30 -15.533  -7.713 -13.742
  261    H    HIS  31           H        HIS  31 -18.073  -3.565 -11.404
  262    HA   HIS  31           HA       HIS  31 -20.937  -4.411 -11.075
  263   1HB   HIS  31          2HB       HIS  31 -19.021  -3.517  -8.894
  264   2HB   HIS  31          1HB       HIS  31 -20.604  -4.255  -8.685
  265    HD1  HIS  31           1HD      HIS  31 -17.036  -5.062  -9.308
  266    HD2  HIS  31           2HD      HIS  31 -20.676  -7.093  -9.307
  267    HE1  HIS  31           1HE      HIS  31 -16.476  -7.528  -9.318
  268    HA   PRO  32           HA       PRO  32 -20.972   0.102 -11.779
  269   1HB   PRO  32          2HB       PRO  32 -23.447   0.182 -12.942
  270   2HB   PRO  32          1HB       PRO  32 -21.967  -0.198 -13.839
  271   1HG   PRO  32          2HG       PRO  32 -24.092  -2.009 -12.851
  272   2HG   PRO  32          1HG       PRO  32 -23.105  -2.115 -14.316
  273   1HD   PRO  32          2HD       PRO  32 -22.690  -3.594 -12.026
  274   2HD   PRO  32          1HD       PRO  32 -21.460  -3.273 -13.266
  275    H    GLY  33           H        GLY  33 -23.560  -1.971 -10.526
  276   1HA   GLY  33          2HA       GLY  33 -24.896   0.167  -9.081
  277   2HA   GLY  33          1HA       GLY  33 -25.212  -1.557  -8.907
  278    H    LEU  34           H        LEU  34 -22.134  -1.819  -8.455
  279    HA   LEU  34           HA       LEU  34 -22.123  -2.098  -5.647
  280   1HB   LEU  34          2HB       LEU  34 -20.322  -2.286  -7.879
  281   2HB   LEU  34          1HB       LEU  34 -19.494  -1.439  -6.580
  282    HG   LEU  34           HG       LEU  34 -19.190  -3.917  -6.485
  283   1HD1  LEU  34          1HD1      LEU  34 -18.819  -3.154  -4.376
  284   2HD1  LEU  34          2HD1      LEU  34 -20.332  -3.985  -4.023
  285   3HD1  LEU  34          3HD1      LEU  34 -20.330  -2.247  -4.324
  286   1HD2  LEU  34          1HD2      LEU  34 -20.930  -5.388  -6.463
  287   2HD2  LEU  34          2HD2      LEU  34 -21.853  -4.050  -7.146
  288   3HD2  LEU  34          3HD2      LEU  34 -21.908  -4.364  -5.411
  289    H    SER  35           H        SER  35 -23.098  -0.128  -4.786
  290    HA   SER  35           HA       SER  35 -21.909   2.495  -5.151
  291   1HB   SER  35          2HB       SER  35 -24.249   2.147  -4.520
  292   2HB   SER  35          1HB       SER  35 -23.756   1.317  -3.047
  293    HG   SER  35           HG       SER  35 -24.083   3.926  -3.463
  294    H    ILE  36           H        ILE  36 -21.075   3.725  -3.122
  295    HA   ILE  36           HA       ILE  36 -18.644   2.612  -2.182
  296    HB   ILE  36           HB       ILE  36 -20.459   4.743  -1.000
  297   1HG1  ILE  36          2HG1      ILE  36 -19.751   5.187  -3.325
  298   2HG1  ILE  36          1HG1      ILE  36 -18.967   6.303  -2.211
  299   1HG2  ILE  36          1HG2      ILE  36 -17.583   3.999  -0.421
  300   2HG2  ILE  36          2HG2      ILE  36 -18.917   4.148   0.723
  301   3HG2  ILE  36          3HG2      ILE  36 -18.242   5.589  -0.037
  302   1HD1  ILE  36          1HD1      ILE  36 -17.755   3.849  -3.510
  303   2HD1  ILE  36          2HD1      ILE  36 -16.979   4.723  -2.189
  304   3HD1  ILE  36          3HD1      ILE  36 -17.270   5.530  -3.730
  305    H    GLY  37           H        GLY  37 -21.913   2.335  -0.907
  306   1HA   GLY  37          2HA       GLY  37 -21.313   1.431   1.726
  307   2HA   GLY  37          1HA       GLY  37 -22.782   1.023   0.836
  308    H    ASP  38           H        ASP  38 -22.275  -0.611  -1.057
  309    HA   ASP  38           HA       ASP  38 -21.261  -3.039   0.164
  310   1HB   ASP  38          2HB       ASP  38 -23.104  -2.607  -1.636
  311   2HB   ASP  38          1HB       ASP  38 -21.759  -2.617  -2.778
  312    H    THR  39           H        THR  39 -19.960  -0.696  -2.156
  313    HA   THR  39           HA       THR  39 -17.691  -2.229  -3.034
  314    HB   THR  39           HB       THR  39 -18.109   0.767  -2.761
  315    HG1  THR  39           1HG      THR  39 -18.968   0.627  -4.757
  316   1HG2  THR  39          1HG2      THR  39 -16.110  -0.883  -4.327
  317   2HG2  THR  39          2HG2      THR  39 -15.767   0.345  -3.110
  318   3HG2  THR  39          3HG2      THR  39 -16.440   0.816  -4.671
  319    H    ALA  40           H        ALA  40 -18.243  -0.172  -0.213
  320    HA   ALA  40           HA       ALA  40 -15.473  -0.063   0.642
  321   1HB   ALA  40          1HB       ALA  40 -17.182   1.569   1.313
  322   2HB   ALA  40          2HB       ALA  40 -16.535   0.766   2.745
  323   3HB   ALA  40          3HB       ALA  40 -18.111   0.295   2.106
  324    H    LYS  41           H        LYS  41 -18.220  -2.200   1.362
  325    HA   LYS  41           HA       LYS  41 -16.552  -3.781   3.228
  326   1HB   LYS  41          2HB       LYS  41 -18.673  -4.823   3.830
  327   2HB   LYS  41          1HB       LYS  41 -18.860  -3.073   3.811
  328   1HG   LYS  41          2HG       LYS  41 -19.718  -3.335   1.417
  329   2HG   LYS  41          1HG       LYS  41 -19.785  -5.065   1.731
  330   1HD   LYS  41          2HD       LYS  41 -21.971  -4.123   2.196
  331   2HD   LYS  41          1HD       LYS  41 -21.229  -4.587   3.725
  332   1HE   LYS  41          2HE       LYS  41 -20.376  -1.930   3.293
  333   2HE   LYS  41          1HE       LYS  41 -22.095  -1.952   2.859
  334   1HZ   LYS  41          1HZ       LYS  41 -22.570  -3.125   4.918
  335   2HZ   LYS  41          2HZ       LYS  41 -21.806  -1.642   5.245
  336   3HZ   LYS  41          3HZ       LYS  41 -20.927  -3.094   5.343
  337    H    LYS  42           H        LYS  42 -17.336  -3.871  -0.118
  338    HA   LYS  42           HA       LYS  42 -17.246  -6.818  -0.326
  339   1HB   LYS  42          2HB       LYS  42 -18.732  -5.341  -1.697
  340   2HB   LYS  42          1HB       LYS  42 -17.298  -4.606  -2.410
  341   1HG   LYS  42          2HG       LYS  42 -18.223  -6.329  -3.894
  342   2HG   LYS  42          1HG       LYS  42 -16.635  -6.816  -3.316
  343   1HD   LYS  42          2HD       LYS  42 -17.510  -8.698  -2.435
  344   2HD   LYS  42          1HD       LYS  42 -18.597  -7.742  -1.430
  345   1HE   LYS  42          2HE       LYS  42 -20.264  -8.699  -2.658
  346   2HE   LYS  42          1HE       LYS  42 -19.778  -7.574  -3.940
  347   1HZ   LYS  42          1HZ       LYS  42 -18.641 -10.281  -3.476
  348   2HZ   LYS  42          2HZ       LYS  42 -18.123  -9.191  -4.671
  349   3HZ   LYS  42          3HZ       LYS  42 -19.687  -9.852  -4.741
  350    H    LEU  43           H        LEU  43 -14.908  -4.624   0.319
  351    HA   LEU  43           HA       LEU  43 -12.895  -5.755  -1.579
  352   1HB   LEU  43          2HB       LEU  43 -13.203  -3.243   0.048
  353   2HB   LEU  43          1HB       LEU  43 -11.588  -3.760  -0.440
  354    HG   LEU  43           HG       LEU  43 -13.848  -3.564  -2.431
  355   1HD1  LEU  43          1HD1      LEU  43 -13.387  -1.312  -2.851
  356   2HD1  LEU  43          2HD1      LEU  43 -11.806  -1.388  -2.074
  357   3HD1  LEU  43          3HD1      LEU  43 -13.271  -1.379  -1.093
  358   1HD2  LEU  43          1HD2      LEU  43 -11.934  -3.320  -4.001
  359   2HD2  LEU  43          2HD2      LEU  43 -11.851  -4.831  -3.096
  360   3HD2  LEU  43          3HD2      LEU  43 -10.821  -3.474  -2.643
  361    H    GLY  44           H        GLY  44 -13.774  -5.423   1.818
  362   1HA   GLY  44          2HA       GLY  44 -11.298  -6.382   2.935
  363   2HA   GLY  44          1HA       GLY  44 -12.856  -6.365   3.764
  364    H    GLU  45           H        GLU  45 -14.129  -7.964   1.590
  365    HA   GLU  45           HA       GLU  45 -13.915 -10.571   2.658
  366   1HB   GLU  45          2HB       GLU  45 -15.650  -9.524   1.091
  367   2HB   GLU  45          1HB       GLU  45 -14.536  -9.890  -0.227
  368   1HG   GLU  45          2HG       GLU  45 -14.523 -12.297   0.648
  369   2HG   GLU  45          1HG       GLU  45 -15.907 -11.833   1.639
  370    H    MET  46           H        MET  46 -12.231  -9.176  -0.170
  371    HA   MET  46           HA       MET  46 -10.685 -11.628  -0.648
  372   1HB   MET  46          2HB       MET  46 -10.667  -8.805  -1.760
  373   2HB   MET  46          1HB       MET  46  -9.613 -10.086  -2.361
  374   1HG   MET  46          2HG       MET  46 -11.561 -11.457  -2.938
  375   2HG   MET  46          1HG       MET  46 -12.642 -10.228  -2.277
  376   1HE   MET  46          1HE       MET  46 -13.105  -7.653  -4.797
  377   2HE   MET  46          2HE       MET  46 -12.850  -7.880  -3.069
  378   3HE   MET  46          3HE       MET  46 -13.962  -8.938  -3.935
  379    H    TRP  47           H        TRP  47  -9.994  -8.314   0.500
  380    HA   TRP  47           HA       TRP  47  -7.217  -8.532   0.947
  381   1HB   TRP  47          2HB       TRP  47  -8.616  -6.481   1.089
  382   2HB   TRP  47          1HB       TRP  47  -9.306  -7.074   2.599
  383    HD1  TRP  47           HD       TRP  47  -8.102  -6.356   4.716
  384    HE1  TRP  47           1HE      TRP  47  -5.769  -5.422   5.289
  385    HE3  TRP  47           3HE      TRP  47  -5.896  -6.610   0.116
  386    HZ2  TRP  47           2HZ      TRP  47  -3.294  -4.858   3.970
  387    HZ3  TRP  47           3HZ      TRP  47  -3.552  -5.869  -0.195
  388    HH2  TRP  47           HH       TRP  47  -2.249  -4.994   1.725
  389    H    SER  48           H        SER  48  -9.838 -10.006   2.754
  390    HA   SER  48           HA       SER  48  -8.051 -10.633   5.048
  391   1HB   SER  48          2HB       SER  48 -10.433  -9.769   5.253
  392   2HB   SER  48          1HB       SER  48 -10.971 -11.306   4.579
  393    HG   SER  48           HG       SER  48 -10.262 -12.343   6.350
  394    H    GLU  49           H        GLU  49  -9.760 -12.171   2.357
  395    HA   GLU  49           HA       GLU  49  -9.418 -14.909   3.126
  396   1HB   GLU  49          2HB       GLU  49  -9.810 -13.379   0.562
  397   2HB   GLU  49          1HB       GLU  49  -9.533 -15.120   0.505
  398   1HG   GLU  49          2HG       GLU  49 -11.614 -13.956   2.347
  399   2HG   GLU  49          1HG       GLU  49 -11.987 -14.279   0.654
  400    H    GLN  50           H        GLN  50  -7.309 -12.643   1.393
  401    HA   GLN  50           HA       GLN  50  -5.315 -14.451   0.470
  402   1HB   GLN  50          2HB       GLN  50  -5.186 -11.576   1.433
  403   2HB   GLN  50          1HB       GLN  50  -3.886 -12.376   0.549
  404   1HG   GLN  50          2HG       GLN  50  -6.645 -12.467  -0.605
  405   2HG   GLN  50          1HG       GLN  50  -5.735 -10.962  -0.734
  406   1HE2  GLN  50          1HE2      GLN  50  -4.579 -10.859  -2.657
  407   2HE2  GLN  50          2HE2      GLN  50  -3.880 -12.187  -3.451
  408    H    SER  51           H        SER  51  -3.212 -14.931   1.396
  409    HA   SER  51           HA       SER  51  -3.307 -15.424   4.304
  410   1HB   SER  51          2HB       SER  51  -2.554 -17.054   2.505
  411   2HB   SER  51          1HB       SER  51  -1.149 -16.022   2.251
  412    HG   SER  51           HG       SER  51  -1.418 -17.919   4.023
  413    H    ALA  52           H        ALA  52  -0.313 -15.214   4.497
  414    HA   ALA  52           HA       ALA  52  -0.180 -12.338   5.151
  415   1HB   ALA  52          1HB       ALA  52   1.821 -14.600   5.470
  416   2HB   ALA  52          2HB       ALA  52   0.596 -14.167   6.664
  417   3HB   ALA  52          3HB       ALA  52   1.888 -13.031   6.273
  418    H    LYS  53           H        LYS  53  -0.353 -12.603   2.382
  419    HA   LYS  53           HA       LYS  53   2.446 -12.003   1.481
  420   1HB   LYS  53          2HB       LYS  53   0.245 -13.706   0.375
  421   2HB   LYS  53          1HB       LYS  53   1.308 -12.884  -0.767
  422   1HG   LYS  53          2HG       LYS  53   3.275 -13.884   0.313
  423   2HG   LYS  53          1HG       LYS  53   2.234 -14.681   1.493
  424   1HD   LYS  53          2HD       LYS  53   1.713 -15.114  -1.429
  425   2HD   LYS  53          1HD       LYS  53   3.035 -15.989  -0.655
  426   1HE   LYS  53          2HE       LYS  53   0.317 -15.946   0.648
  427   2HE   LYS  53          1HE       LYS  53   0.659 -17.092  -0.664
  428   1HZ   LYS  53          1HZ       LYS  53   2.642 -17.804   0.514
  429   2HZ   LYS  53          2HZ       LYS  53   1.271 -18.022   1.494
  430   3HZ   LYS  53          3HZ       LYS  53   2.321 -16.714   1.773
  431    H    ASP  54           H        ASP  54  -1.031 -11.389   0.973
  432    HA   ASP  54           HA       ASP  54  -0.885  -9.355  -0.983
  433   1HB   ASP  54          2HB       ASP  54  -3.093  -8.688  -0.038
  434   2HB   ASP  54          1HB       ASP  54  -2.949 -10.437  -0.209
  435    H    LYS  55           H        LYS  55  -0.329  -9.151   2.519
  436    HA   LYS  55           HA       LYS  55   0.064  -6.200   2.291
  437   1HB   LYS  55          2HB       LYS  55  -1.432  -7.395   4.019
  438   2HB   LYS  55          1HB       LYS  55   0.071  -7.891   4.794
  439   1HG   LYS  55          2HG       LYS  55   0.721  -5.401   4.729
  440   2HG   LYS  55          1HG       LYS  55  -0.975  -5.091   4.362
  441   1HD   LYS  55          2HD       LYS  55  -1.662  -6.219   6.420
  442   2HD   LYS  55          1HD       LYS  55   0.016  -6.632   6.778
  443   1HE   LYS  55          2HE       LYS  55  -0.702  -3.746   6.327
  444   2HE   LYS  55          1HE       LYS  55  -1.041  -4.494   7.901
  445   1HZ   LYS  55          1HZ       LYS  55   1.209  -3.597   7.836
  446   2HZ   LYS  55          2HZ       LYS  55   1.570  -4.557   6.480
  447   3HZ   LYS  55          3HZ       LYS  55   1.240  -5.286   7.979
  448    H    GLN  56           H        GLN  56   2.049  -8.360   1.383
  449    HA   GLN  56           HA       GLN  56   4.280  -7.857   3.288
  450   1HB   GLN  56          2HB       GLN  56   3.504  -9.916   1.338
  451   2HB   GLN  56          1HB       GLN  56   5.217  -9.509   1.277
  452   1HG   GLN  56          2HG       GLN  56   5.053  -9.695   3.900
  453   2HG   GLN  56          1HG       GLN  56   3.623 -10.664   3.544
  454   1HE2  GLN  56          1HE2      GLN  56   7.148 -10.545   3.221
  455   2HE2  GLN  56          2HE2      GLN  56   7.334 -12.157   2.724
  456    HA   PRO  57           HA       PRO  57   6.125  -6.029  -0.648
  457   1HB   PRO  57          2HB       PRO  57   4.808  -6.105  -3.022
  458   2HB   PRO  57          1HB       PRO  57   5.817  -7.445  -2.444
  459   1HG   PRO  57          2HG       PRO  57   2.892  -7.196  -2.541
  460   2HG   PRO  57          1HG       PRO  57   3.900  -8.642  -2.630
  461   1HD   PRO  57          2HD       PRO  57   2.465  -7.721  -0.400
  462   2HD   PRO  57          1HD       PRO  57   3.695  -8.999  -0.417
  463    H    TYR  58           H        TYR  58   2.591  -5.645  -0.665
  464    HA   TYR  58           HA       TYR  58   2.699  -2.860  -1.567
  465   1HB   TYR  58          2HB       TYR  58   0.769  -4.988  -1.115
  466   2HB   TYR  58          1HB       TYR  58   0.179  -3.470  -0.444
  467    HD1  TYR  58           1HD      TYR  58   1.103  -5.270  -3.501
  468    HD2  TYR  58           2HD      TYR  58  -0.138  -1.489  -1.883
  469    HE1  TYR  58           1HE      TYR  58   0.540  -4.478  -5.783
  470    HE2  TYR  58           2HE      TYR  58  -0.702  -0.698  -4.166
  471    HH   TYR  58           HH       TYR  58  -1.383  -1.997  -6.445
  472    H    GLU  59           H        GLU  59   3.581  -4.149   1.358
  473    HA   GLU  59           HA       GLU  59   2.251  -2.080   3.024
  474   1HB   GLU  59          2HB       GLU  59   3.074  -3.441   4.867
  475   2HB   GLU  59          1HB       GLU  59   2.371  -4.502   3.654
  476   1HG   GLU  59          2HG       GLU  59   4.333  -5.650   3.800
  477   2HG   GLU  59          1HG       GLU  59   4.984  -4.350   2.806
  478    H    GLN  60           H        GLN  60   5.340  -2.778   1.540
  479    HA   GLN  60           HA       GLN  60   6.928  -1.043   3.258
  480   1HB   GLN  60          2HB       GLN  60   8.665  -1.524   1.602
  481   2HB   GLN  60          1HB       GLN  60   7.772  -3.001   1.944
  482   1HG   GLN  60          2HG       GLN  60   6.303  -2.248  -0.106
  483   2HG   GLN  60          1HG       GLN  60   7.717  -1.283  -0.519
  484   1HE2  GLN  60          1HE2      GLN  60   9.864  -2.859   0.074
  485   2HE2  GLN  60          2HE2      GLN  60   9.800  -4.336  -0.760
  486    H    LYS  61           H        LYS  61   4.885  -0.579   0.469
  487    HA   LYS  61           HA       LYS  61   5.975   1.826  -0.617
  488   1HB   LYS  61          2HB       LYS  61   4.250   0.418  -1.680
  489   2HB   LYS  61          1HB       LYS  61   3.114   0.823  -0.395
  490   1HG   LYS  61          2HG       LYS  61   2.948   3.078  -1.095
  491   2HG   LYS  61          1HG       LYS  61   4.409   2.968  -2.079
  492   1HD   LYS  61          2HD       LYS  61   3.152   1.207  -3.462
  493   2HD   LYS  61          1HD       LYS  61   1.697   1.753  -2.627
  494   1HE   LYS  61          2HE       LYS  61   2.263   4.113  -3.382
  495   2HE   LYS  61          1HE       LYS  61   3.517   3.395  -4.414
  496   1HZ   LYS  61          1HZ       LYS  61   0.644   2.632  -4.417
  497   2HZ   LYS  61          2HZ       LYS  61   1.854   1.963  -5.406
  498   3HZ   LYS  61          3HZ       LYS  61   1.400   3.590  -5.596
  499    H    ALA  62           H        ALA  62   3.619   1.293   2.012
  500    HA   ALA  62           HA       ALA  62   3.141   4.110   2.515
  501   1HB   ALA  62          1HB       ALA  62   1.479   2.586   3.215
  502   2HB   ALA  62          2HB       ALA  62   2.273   3.033   4.726
  503   3HB   ALA  62          3HB       ALA  62   2.660   1.498   3.946
  504    H    ALA  63           H        ALA  63   5.818   2.067   3.208
  505    HA   ALA  63           HA       ALA  63   6.633   3.489   5.661
  506   1HB   ALA  63          1HB       ALA  63   6.965   1.035   5.227
  507   2HB   ALA  63          2HB       ALA  63   8.467   1.883   5.597
  508   3HB   ALA  63          3HB       ALA  63   8.080   1.460   3.928
  509    H    LYS  64           H        LYS  64   6.601   4.433   2.509
  510    HA   LYS  64           HA       LYS  64   9.324   5.666   2.551
  511   1HB   LYS  64          2HB       LYS  64   7.269   4.991   0.438
  512   2HB   LYS  64          1HB       LYS  64   8.602   6.093   0.096
  513   1HG   LYS  64          2HG       LYS  64   8.945   3.282   1.178
  514   2HG   LYS  64          1HG       LYS  64   9.105   3.716  -0.524
  515   1HD   LYS  64          2HD       LYS  64  10.842   5.445   0.243
  516   2HD   LYS  64          1HD       LYS  64  10.832   4.603   1.792
  517   1HE   LYS  64          2HE       LYS  64  12.586   3.534   0.614
  518   2HE   LYS  64          1HE       LYS  64  11.207   2.450   0.333
  519   1HZ   LYS  64          1HZ       LYS  64  12.047   4.679  -1.447
  520   2HZ   LYS  64          2HZ       LYS  64  10.717   3.654  -1.705
  521   3HZ   LYS  64          3HZ       LYS  64  12.297   3.030  -1.755
  522    H    LEU  65           H        LEU  65   5.867   6.289   2.340
  523    HA   LEU  65           HA       LEU  65   6.127   9.179   1.972
  524   1HB   LEU  65          2HB       LEU  65   3.988   7.126   2.352
  525   2HB   LEU  65          1HB       LEU  65   3.572   8.808   2.675
  526    HG   LEU  65           HG       LEU  65   4.727   9.272   0.376
  527   1HD1  LEU  65          1HD1      LEU  65   4.177   6.297   0.294
  528   2HD1  LEU  65          2HD1      LEU  65   5.692   7.127  -0.062
  529   3HD1  LEU  65          3HD1      LEU  65   4.325   7.274  -1.166
  530   1HD2  LEU  65          1HD2      LEU  65   2.571   8.850  -0.775
  531   2HD2  LEU  65          2HD2      LEU  65   2.319   9.564   0.817
  532   3HD2  LEU  65          3HD2      LEU  65   2.058   7.836   0.575
  533    H    LYS  66           H        LYS  66   6.750   7.257   4.644
  534    HA   LYS  66           HA       LYS  66   5.506   9.037   6.655
  535   1HB   LYS  66          2HB       LYS  66   5.667   6.477   6.733
  536   2HB   LYS  66          1HB       LYS  66   7.388   6.699   7.052
  537   1HG   LYS  66          2HG       LYS  66   6.981   7.816   9.101
  538   2HG   LYS  66          1HG       LYS  66   5.286   8.102   8.703
  539   1HD   LYS  66          2HD       LYS  66   4.715   5.816   9.014
  540   2HD   LYS  66          1HD       LYS  66   6.405   5.311   8.994
  541   1HE   LYS  66          2HE       LYS  66   5.496   7.260  11.098
  542   2HE   LYS  66          1HE       LYS  66   5.168   5.528  11.310
  543   1HZ   LYS  66          1HZ       LYS  66   7.354   6.125  12.191
  544   2HZ   LYS  66          2HZ       LYS  66   7.818   6.716  10.667
  545   3HZ   LYS  66          3HZ       LYS  66   7.495   5.060  10.878
  546    H    GLU  67           H        GLU  67   8.605   8.429   5.113
  547    HA   GLU  67           HA       GLU  67  10.145   9.968   7.096
  548   1HB   GLU  67          2HB       GLU  67  10.606   8.404   4.587
  549   2HB   GLU  67          1HB       GLU  67  11.835   9.579   5.059
  550   1HG   GLU  67          2HG       GLU  67  10.753   7.642   7.090
  551   2HG   GLU  67          1HG       GLU  67  12.011   7.130   5.965
  552    H    LYS  68           H        LYS  68   8.272  10.673   4.278
  553    HA   LYS  68           HA       LYS  68   9.724  13.237   3.793
  554   1HB   LYS  68          2HB       LYS  68   7.714  11.554   2.283
  555   2HB   LYS  68          1HB       LYS  68   8.110  13.197   1.777
  556   1HG   LYS  68          2HG       LYS  68  10.604  12.288   2.044
  557   2HG   LYS  68          1HG       LYS  68   9.812  10.740   1.744
  558   1HD   LYS  68          2HD       LYS  68  10.327  11.463  -0.425
  559   2HD   LYS  68          1HD       LYS  68   8.658  12.001  -0.236
  560   1HE   LYS  68          2HE       LYS  68   9.384  14.261   0.305
  561   2HE   LYS  68          1HE       LYS  68  11.084  13.749   0.312
  562   1HZ   LYS  68          1HZ       LYS  68  10.881  13.076  -1.983
  563   2HZ   LYS  68          2HZ       LYS  68  10.427  14.706  -1.835
  564   3HZ   LYS  68          3HZ       LYS  68   9.240  13.503  -2.006
  565    H    TYR  69           H        TYR  69   6.663  11.871   4.873
  566    HA   TYR  69           HA       TYR  69   5.173  14.375   4.871
  567   1HB   TYR  69          2HB       TYR  69   4.132  12.146   4.700
  568   2HB   TYR  69          1HB       TYR  69   4.781  11.706   6.277
  569    HD1  TYR  69           1HD      TYR  69   4.055  13.068   8.317
  570    HD2  TYR  69           2HD      TYR  69   2.076  13.314   4.513
  571    HE1  TYR  69           1HE      TYR  69   2.066  14.058   9.416
  572    HE2  TYR  69           2HE      TYR  69   0.088  14.308   5.612
  573    HH   TYR  69           HH       TYR  69  -0.628  14.096   8.651
  574    H    GLU  70           H        GLU  70   6.562  12.342   7.471
  575    HA   GLU  70           HA       GLU  70   6.084  14.254   9.581
  576   1HB   GLU  70          2HB       GLU  70   7.758  11.780   9.194
  577   2HB   GLU  70          1HB       GLU  70   7.864  12.702  10.694
  578   1HG   GLU  70          2HG       GLU  70   5.302  12.558  10.777
  579   2HG   GLU  70          1HG       GLU  70   5.442  11.328   9.520
  580    H    LYS  71           H        LYS  71   8.419  14.292   7.066
  581    HA   LYS  71           HA       LYS  71  10.318  15.916   8.713
  582   1HB   LYS  71          2HB       LYS  71  10.499  14.241   6.213
  583   2HB   LYS  71          1HB       LYS  71  11.746  15.434   6.582
  584   1HG   LYS  71          2HG       LYS  71  11.854  14.336   8.912
  585   2HG   LYS  71          1HG       LYS  71  10.951  13.005   8.188
  586   1HD   LYS  71          2HD       LYS  71  12.750  12.989   6.357
  587   2HD   LYS  71          1HD       LYS  71  13.693  14.023   7.431
  588   1HE   LYS  71          2HE       LYS  71  12.532  11.384   8.367
  589   2HE   LYS  71          1HE       LYS  71  14.151  11.512   7.650
  590   1HZ   LYS  71          1HZ       LYS  71  13.157  13.108   9.952
  591   2HZ   LYS  71          2HZ       LYS  71  14.705  13.218   9.261
  592   3HZ   LYS  71          3HZ       LYS  71  14.228  11.799  10.063
  593    H    ASP  72           H        ASP  72   8.345  15.931   5.764
  594    HA   ASP  72           HA       ASP  72   9.278  18.611   4.968
  595   1HB   ASP  72          2HB       ASP  72   8.648  16.618   3.476
  596   2HB   ASP  72          1HB       ASP  72   6.971  16.994   3.869
  597    H    ILE  73           H        ILE  73   6.412  17.154   6.479
  598    HA   ILE  73           HA       ILE  73   4.679  19.421   6.287
  599    HB   ILE  73           HB       ILE  73   4.187  16.978   6.877
  600   1HG1  ILE  73          2HG1      ILE  73   2.435  17.810   8.691
  601   2HG1  ILE  73          1HG1      ILE  73   3.022  19.397   8.191
  602   1HG2  ILE  73          1HG2      ILE  73   5.927  17.009   8.785
  603   2HG2  ILE  73          2HG2      ILE  73   4.379  16.230   9.116
  604   3HG2  ILE  73          3HG2      ILE  73   4.696  17.857   9.722
  605   1HD1  ILE  73          1HD1      ILE  73   1.098  18.754   6.813
  606   2HD1  ILE  73          2HD1      ILE  73   1.904  17.252   6.360
  607   3HD1  ILE  73          3HD1      ILE  73   2.556  18.799   5.822
  608    H    ALA  74           H        ALA  74   7.442  18.850   8.323
  609    HA   ALA  74           HA       ALA  74   6.748  20.574  10.532
  610   1HB   ALA  74          1HB       ALA  74   9.250  20.503  10.869
  611   2HB   ALA  74          2HB       ALA  74   9.379  19.660   9.325
  612   3HB   ALA  74          3HB       ALA  74   8.516  18.911  10.670
  613    H    ALA  75           H        ALA  75   8.689  21.110   7.576
  614    HA   ALA  75           HA       ALA  75   8.915  23.998   8.116
  615   1HB   ALA  75          1HB       ALA  75  10.691  22.504   7.101
  616   2HB   ALA  75          2HB       ALA  75  10.324  23.940   6.145
  617   3HB   ALA  75          3HB       ALA  75   9.671  22.373   5.668
  618    H    TYR  76           H        TYR  76   6.952  21.821   6.179
  619    HA   TYR  76           HA       TYR  76   5.914  23.671   4.261
  620   1HB   TYR  76          2HB       TYR  76   5.739  21.162   4.266
  621   2HB   TYR  76          1HB       TYR  76   4.551  21.290   5.565
  622    HD1  TYR  76           1HD      TYR  76   5.259  22.285   2.044
  623    HD2  TYR  76           2HD      TYR  76   2.282  21.841   5.108
  624    HE1  TYR  76           1HE      TYR  76   3.477  22.699   0.372
  625    HE2  TYR  76           2HE      TYR  76   0.499  22.255   3.435
  626    HH   TYR  76           HH       TYR  76   0.795  23.684   0.751
  627    H    ARG  77           H        ARG  77   5.098  23.058   7.633
  628    HA   ARG  77           HA       ARG  77   2.566  24.489   7.619
  629   1HB   ARG  77          2HB       ARG  77   4.521  23.539   9.726
  630   2HB   ARG  77          1HB       ARG  77   3.028  24.376  10.148
  631   1HG   ARG  77          2HG       ARG  77   1.681  22.670   9.135
  632   2HG   ARG  77          1HG       ARG  77   3.089  21.919   8.383
  633   1HD   ARG  77          2HD       ARG  77   2.792  20.538  10.253
  634   2HD   ARG  77          1HD       ARG  77   3.920  21.740  10.910
  635    HE   ARG  77           HE       ARG  77   2.088  22.786  12.066
  636   1HH1  ARG  77          1HH1      ARG  77   1.483  19.674  12.040
  637   2HH1  ARG  77          2HH1      ARG  77  -0.237  19.735  11.847
  638   1HH2  ARG  77          1HH2      ARG  77  -0.285  23.087  10.960
  639   2HH2  ARG  77          2HH2      ARG  77  -1.238  21.667  11.235
  640    H    ALA  78           H        ALA  78   5.452  25.357   9.534
  641    HA   ALA  78           HA       ALA  78   6.413  27.455  10.021
  642   1HB   ALA  78          1HB       ALA  78   5.287  28.405   7.391
  643   2HB   ALA  78          2HB       ALA  78   6.552  27.177   7.419
  644   3HB   ALA  78          3HB       ALA  78   6.853  28.767   8.118
  645    H    LYS  79           H        LYS  79   5.238  28.349  11.692
  646    HA   LYS  79           HA       LYS  79   2.870  30.033  10.951
  647   1HB   LYS  79          2HB       LYS  79   1.891  29.301  13.121
  648   2HB   LYS  79          1HB       LYS  79   2.176  27.943  12.034
  649   1HG   LYS  79          2HG       LYS  79   4.545  28.445  13.622
  650   2HG   LYS  79          1HG       LYS  79   3.146  28.259  14.678
  651   1HD   LYS  79          2HD       LYS  79   3.673  26.319  12.426
  652   2HD   LYS  79          1HD       LYS  79   4.425  26.113  14.008
  653   1HE   LYS  79          2HE       LYS  79   1.968  26.422  14.913
  654   2HE   LYS  79          1HE       LYS  79   1.515  25.939  13.266
  655   1HZ   LYS  79          1HZ       LYS  79   2.971  24.020  13.461
  656   2HZ   LYS  79          2HZ       LYS  79   1.806  24.000  14.698
  657   3HZ   LYS  79          3HZ       LYS  79   3.402  24.474  15.037
  Start of MODEL    4
    1   1H    MET   1          1HT       MET   1 -13.235  20.627  -6.840
    2   2H    MET   1          2HT       MET   1 -13.182  19.513  -5.558
    3   3H    MET   1          3HT       MET   1 -11.824  20.473  -5.909
    4    HA   MET   1           HA       MET   1 -13.093  22.479  -5.306
    5   1HB   MET   1          2HB       MET   1 -15.219  21.107  -5.961
    6   2HB   MET   1          1HB       MET   1 -15.169  20.542  -4.290
    7   1HG   MET   1          2HG       MET   1 -15.394  22.761  -3.433
    8   2HG   MET   1          1HG       MET   1 -15.081  23.478  -5.013
    9   1HE   MET   1          1HE       MET   1 -16.163  22.627  -6.973
   10   2HE   MET   1          2HE       MET   1 -17.399  23.880  -6.893
   11   3HE   MET   1          3HE       MET   1 -17.870  22.204  -7.164
   12    H    LYS   2           H        LYS   2 -13.606  19.445  -3.457
   13    HA   LYS   2           HA       LYS   2 -12.428  20.724  -1.047
   14   1HB   LYS   2          2HB       LYS   2 -14.073  18.292  -1.701
   15   2HB   LYS   2          1HB       LYS   2 -13.214  18.367  -0.162
   16   1HG   LYS   2          2HG       LYS   2 -15.364  19.286   0.284
   17   2HG   LYS   2          1HG       LYS   2 -14.289  20.678   0.144
   18   1HD   LYS   2          2HD       LYS   2 -15.169  21.330  -1.891
   19   2HD   LYS   2          1HD       LYS   2 -15.626  19.687  -2.340
   20   1HE   LYS   2          2HE       LYS   2 -17.180  20.195  -0.079
   21   2HE   LYS   2          1HE       LYS   2 -17.192  21.732  -0.965
   22   1HZ   LYS   2          1HZ       LYS   2 -17.679  20.482  -3.003
   23   2HZ   LYS   2          2HZ       LYS   2 -18.902  20.291  -1.838
   24   3HZ   LYS   2          3HZ       LYS   2 -17.773  19.048  -2.100
   25    H    LYS   3           H        LYS   3 -10.171  20.698  -1.503
   26    HA   LYS   3           HA       LYS   3  -8.794  18.203  -1.023
   27   1HB   LYS   3          2HB       LYS   3  -9.645  18.584  -3.608
   28   2HB   LYS   3          1HB       LYS   3  -8.015  19.255  -3.672
   29   1HG   LYS   3          2HG       LYS   3  -7.157  17.151  -2.626
   30   2HG   LYS   3          1HG       LYS   3  -8.785  16.481  -2.722
   31   1HD   LYS   3          2HD       LYS   3  -7.485  17.610  -5.186
   32   2HD   LYS   3          1HD       LYS   3  -7.091  15.976  -4.654
   33   1HE   LYS   3          2HE       LYS   3  -9.603  15.518  -4.583
   34   2HE   LYS   3          1HE       LYS   3  -9.811  17.058  -5.443
   35   1HZ   LYS   3          1HZ       LYS   3  -9.571  15.258  -7.026
   36   2HZ   LYS   3          2HZ       LYS   3  -8.105  14.782  -6.311
   37   3HZ   LYS   3          3HZ       LYS   3  -8.218  16.278  -7.108
   38    H    LYS   4           H        LYS   4  -6.317  18.918  -2.224
   39    HA   LYS   4           HA       LYS   4  -5.692  21.638  -1.270
   40   1HB   LYS   4          2HB       LYS   4  -4.418  19.078  -0.249
   41   2HB   LYS   4          1HB       LYS   4  -3.903  20.705   0.191
   42   1HG   LYS   4          2HG       LYS   4  -6.374  21.055   0.917
   43   2HG   LYS   4          1HG       LYS   4  -6.463  19.293   0.904
   44   1HD   LYS   4          2HD       LYS   4  -4.393  19.291   2.378
   45   2HD   LYS   4          1HD       LYS   4  -4.613  21.033   2.551
   46   1HE   LYS   4          2HE       LYS   4  -6.848  19.078   3.158
   47   2HE   LYS   4          1HE       LYS   4  -5.681  19.599   4.390
   48   1HZ   LYS   4          1HZ       LYS   4  -7.595  21.081   4.341
   49   2HZ   LYS   4          2HZ       LYS   4  -7.333  21.397   2.693
   50   3HZ   LYS   4          3HZ       LYS   4  -6.195  21.902   3.848
   51    H    ASP   5           H        ASP   5  -2.827  21.142  -1.348
   52    HA   ASP   5           HA       ASP   5  -2.309  21.476  -4.163
   53   1HB   ASP   5          2HB       ASP   5  -0.791  21.225  -1.608
   54   2HB   ASP   5          1HB       ASP   5   0.113  20.960  -3.099
   55    HA   PRO   6           HA       PRO   6  -1.989  17.222  -5.343
   56   1HB   PRO   6          2HB       PRO   6  -0.351  17.440  -7.523
   57   2HB   PRO   6          1HB       PRO   6  -2.057  17.930  -7.545
   58   1HG   PRO   6          2HG       PRO   6   0.390  19.602  -7.289
   59   2HG   PRO   6          1HG       PRO   6  -1.113  19.925  -8.168
   60   1HD   PRO   6          2HD       PRO   6  -0.510  21.021  -5.740
   61   2HD   PRO   6          1HD       PRO   6  -2.169  20.749  -6.316
   62    H    ASN   7           H        ASN   7   1.049  19.092  -5.259
   63    HA   ASN   7           HA       ASN   7   2.725  16.727  -4.870
   64   1HB   ASN   7          2HB       ASN   7   3.189  19.081  -5.937
   65   2HB   ASN   7          1HB       ASN   7   3.520  19.565  -4.274
   66   1HD2  ASN   7          1HD2      ASN   7   5.241  18.808  -6.867
   67   2HD2  ASN   7          2HD2      ASN   7   6.487  17.872  -6.192
   68    H    ALA   8           H        ALA   8   0.605  18.240  -2.764
   69    HA   ALA   8           HA       ALA   8   2.354  18.103  -0.378
   70   1HB   ALA   8          1HB       ALA   8   0.358  19.084   0.708
   71   2HB   ALA   8          2HB       ALA   8  -0.565  18.838  -0.776
   72   3HB   ALA   8          3HB       ALA   8   0.780  19.978  -0.753
   73    HA   PRO   9           HA       PRO   9   0.839  13.932   0.278
   74   1HB   PRO   9          2HB       PRO   9   1.964  13.491   2.729
   75   2HB   PRO   9          1HB       PRO   9   2.894  13.433   1.219
   76   1HG   PRO   9          2HG       PRO   9   2.722  15.598   3.249
   77   2HG   PRO   9          1HG       PRO   9   4.112  15.041   2.306
   78   1HD   PRO   9          2HD       PRO   9   2.671  17.295   1.726
   79   2HD   PRO   9          1HD       PRO   9   3.589  16.367   0.523
   80    H    LYS  10           H        LYS  10  -1.407  14.628   0.533
   81    HA   LYS  10           HA       LYS  10  -2.254  15.319   3.284
   82   1HB   LYS  10          2HB       LYS  10  -4.306  16.086   2.152
   83   2HB   LYS  10          1HB       LYS  10  -2.878  16.795   1.405
   84   1HG   LYS  10          2HG       LYS  10  -3.313  14.341   0.059
   85   2HG   LYS  10          1HG       LYS  10  -4.897  15.099   0.210
   86   1HD   LYS  10          2HD       LYS  10  -3.981  17.191  -0.751
   87   2HD   LYS  10          1HD       LYS  10  -2.413  16.405  -0.940
   88   1HE   LYS  10          2HE       LYS  10  -3.170  15.001  -2.653
   89   2HE   LYS  10          1HE       LYS  10  -4.865  15.127  -2.139
   90   1HZ   LYS  10          1HZ       LYS  10  -4.818  17.483  -2.725
   91   2HZ   LYS  10          2HZ       LYS  10  -4.470  16.513  -4.076
   92   3HZ   LYS  10          3HZ       LYS  10  -3.219  17.330  -3.269
   93    H    ARG  11           H        ARG  11  -1.488  12.596   2.505
   94    HA   ARG  11           HA       ARG  11  -3.783  11.153   3.568
   95   1HB   ARG  11          2HB       ARG  11  -4.364  11.657   1.151
   96   2HB   ARG  11          1HB       ARG  11  -3.002  10.637   0.686
   97   1HG   ARG  11          2HG       ARG  11  -4.793   9.125   0.646
   98   2HG   ARG  11          1HG       ARG  11  -4.112   8.868   2.254
   99   1HD   ARG  11          2HD       ARG  11  -5.863   9.995   3.324
  100   2HD   ARG  11          1HD       ARG  11  -6.279  10.928   1.872
  101    HE   ARG  11           HE       ARG  11  -6.587   7.993   1.672
  102   1HH1  ARG  11          1HH1      ARG  11  -7.879  10.224  -0.024
  103   2HH1  ARG  11          2HH1      ARG  11  -9.522  10.118   0.515
  104   1HH2  ARG  11          1HH2      ARG  11  -8.757   8.225   3.319
  105   2HH2  ARG  11          2HH2      ARG  11 -10.019   8.986   2.408
  106    HA   PRO  12           HA       PRO  12   0.173   8.977   4.227
  107   1HB   PRO  12          2HB       PRO  12  -0.490   7.900   6.649
  108   2HB   PRO  12          1HB       PRO  12   0.136   9.550   6.462
  109   1HG   PRO  12          2HG       PRO  12  -2.646   8.623   6.902
  110   2HG   PRO  12          1HG       PRO  12  -1.824  10.070   7.496
  111   1HD   PRO  12          2HD       PRO  12  -3.594  10.042   5.393
  112   2HD   PRO  12          1HD       PRO  12  -2.347  11.282   5.646
  113    HA   PRO  13           HA       PRO  13  -1.991   5.258   2.830
  114   1HB   PRO  13          2HB       PRO  13   0.108   4.158   1.469
  115   2HB   PRO  13          1HB       PRO  13  -0.901   5.454   0.803
  116   1HG   PRO  13          2HG       PRO  13   1.840   5.569   1.878
  117   2HG   PRO  13          1HG       PRO  13   1.051   6.594   0.673
  118   1HD   PRO  13          2HD       PRO  13   1.503   7.225   3.377
  119   2HD   PRO  13          1HD       PRO  13   0.481   8.123   2.239
  120    H    SER  14           H        SER  14  -1.633   2.887   3.223
  121    HA   SER  14           HA       SER  14   0.575   2.037   4.948
  122   1HB   SER  14          2HB       SER  14  -0.918   3.386   6.436
  123   2HB   SER  14          1HB       SER  14  -2.236   2.277   6.068
  124    HG   SER  14           HG       SER  14  -1.091   1.752   8.010
  125    H    ALA  15           H        ALA  15   0.109   0.775   2.675
  126    HA   ALA  15           HA       ALA  15  -0.330  -1.320   1.736
  127   1HB   ALA  15          1HB       ALA  15   0.155  -2.875   3.301
  128   2HB   ALA  15          2HB       ALA  15  -1.464  -2.710   3.977
  129   3HB   ALA  15          3HB       ALA  15  -0.150  -1.694   4.572
  130    H    PHE  16           H        PHE  16  -2.917  -1.380   4.213
  131    HA   PHE  16           HA       PHE  16  -5.027  -2.223   2.616
  132   1HB   PHE  16          2HB       PHE  16  -4.804  -1.698   5.143
  133   2HB   PHE  16          1HB       PHE  16  -5.326  -0.070   4.707
  134    HD1  PHE  16           1HD      PHE  16  -7.448   0.026   3.106
  135    HD2  PHE  16           2HD      PHE  16  -6.441  -3.282   5.654
  136    HE1  PHE  16           1HE      PHE  16  -9.805  -0.742   3.041
  137    HE2  PHE  16           2HE      PHE  16  -8.797  -4.051   5.588
  138    HZ   PHE  16           HZ       PHE  16 -10.480  -2.781   4.282
  139    H    PHE  17           H        PHE  17  -4.179   1.203   3.250
  140    HA   PHE  17           HA       PHE  17  -6.178   2.408   1.621
  141   1HB   PHE  17          2HB       PHE  17  -3.595   3.102   2.876
  142   2HB   PHE  17          1HB       PHE  17  -3.997   4.091   1.472
  143    HD1  PHE  17           1HD      PHE  17  -4.588   3.545   4.959
  144    HD2  PHE  17           2HD      PHE  17  -6.378   5.109   1.382
  145    HE1  PHE  17           1HE      PHE  17  -6.198   4.840   6.331
  146    HE2  PHE  17           2HE      PHE  17  -7.989   6.404   2.753
  147    HZ   PHE  17           HZ       PHE  17  -7.899   6.269   5.228
  148    H    LEU  18           H        LEU  18  -2.947   1.172   0.804
  149    HA   LEU  18           HA       LEU  18  -2.867   2.143  -1.902
  150   1HB   LEU  18          2HB       LEU  18  -1.552  -0.319  -0.701
  151   2HB   LEU  18          1HB       LEU  18  -0.998   0.582  -2.106
  152    HG   LEU  18           HG       LEU  18  -1.073   1.579   0.764
  153   1HD1  LEU  18          1HD1      LEU  18   1.448   1.824   0.156
  154   2HD1  LEU  18          2HD1      LEU  18   1.081   0.678  -1.134
  155   3HD1  LEU  18          3HD1      LEU  18   0.825   0.223   0.552
  156   1HD2  LEU  18          1HD2      LEU  18   0.257   3.514  -0.416
  157   2HD2  LEU  18          2HD2      LEU  18  -1.506   3.529  -0.478
  158   3HD2  LEU  18          3HD2      LEU  18  -0.579   2.963  -1.868
  159    H    PHE  19           H        PHE  19  -3.981  -0.906  -0.446
  160    HA   PHE  19           HA       PHE  19  -4.555  -2.236  -2.958
  161   1HB   PHE  19          2HB       PHE  19  -4.087  -3.288  -0.722
  162   2HB   PHE  19          1HB       PHE  19  -5.660  -2.715  -0.173
  163    HD1  PHE  19           1HD      PHE  19  -7.749  -3.521  -1.320
  164    HD2  PHE  19           2HD      PHE  19  -3.885  -5.217  -2.114
  165    HE1  PHE  19           1HE      PHE  19  -8.830  -5.511  -2.332
  166    HE2  PHE  19           2HE      PHE  19  -4.965  -7.207  -3.126
  167    HZ   PHE  19           HZ       PHE  19  -7.438  -7.353  -3.234
  168    H    CYS  20           H        CYS  20  -6.702  -0.783  -0.478
  169    HA   CYS  20           HA       CYS  20  -9.165  -1.126  -1.844
  170   1HB   CYS  20          2HB       CYS  20  -8.711  -0.406   0.546
  171   2HB   CYS  20          1HB       CYS  20  -8.356   1.204  -0.081
  172    HG   CYS  20           HG       CYS  20 -10.828   1.469   0.236
  173    H    SER  21           H        SER  21  -7.022   1.745  -1.831
  174    HA   SER  21           HA       SER  21  -8.533   3.342  -3.641
  175   1HB   SER  21          2HB       SER  21  -6.412   4.576  -3.856
  176   2HB   SER  21          1HB       SER  21  -6.669   4.092  -2.182
  177    HG   SER  21           HG       SER  21  -4.531   3.667  -3.332
  178    H    GLU  22           H        GLU  22  -6.317   0.669  -4.239
  179    HA   GLU  22           HA       GLU  22  -6.211   1.257  -7.142
  180   1HB   GLU  22          2HB       GLU  22  -4.836  -0.522  -5.182
  181   2HB   GLU  22          1HB       GLU  22  -4.772  -0.949  -6.889
  182   1HG   GLU  22          2HG       GLU  22  -4.001   1.764  -5.774
  183   2HG   GLU  22          1HG       GLU  22  -2.850   0.485  -6.163
  184    H    TYR  23           H        TYR  23  -7.846  -0.903  -4.909
  185    HA   TYR  23           HA       TYR  23  -8.679  -2.744  -7.073
  186   1HB   TYR  23          2HB       TYR  23  -8.722  -2.619  -4.097
  187   2HB   TYR  23          1HB       TYR  23  -9.983  -3.581  -4.866
  188    HD1  TYR  23           1HD      TYR  23  -9.518  -5.774  -5.548
  189    HD2  TYR  23           2HD      TYR  23  -6.280  -3.013  -4.963
  190    HE1  TYR  23           1HE      TYR  23  -7.888  -7.600  -5.950
  191    HE2  TYR  23           2HE      TYR  23  -4.651  -4.839  -5.364
  192    HH   TYR  23           HH       TYR  23  -4.550  -7.266  -5.265
  193    H    ARG  24           H        ARG  24 -10.083  -0.201  -5.030
  194    HA   ARG  24           HA       ARG  24 -12.816  -0.549  -5.390
  195   1HB   ARG  24          2HB       ARG  24 -11.023   1.859  -5.250
  196   2HB   ARG  24          1HB       ARG  24 -12.770   2.042  -5.417
  197   1HG   ARG  24          2HG       ARG  24 -13.177   0.813  -3.387
  198   2HG   ARG  24          1HG       ARG  24 -11.478   0.355  -3.263
  199   1HD   ARG  24          2HD       ARG  24 -10.884   2.364  -2.351
  200   2HD   ARG  24          1HD       ARG  24 -11.957   3.274  -3.433
  201    HE   ARG  24           HE       ARG  24 -13.765   1.987  -1.861
  202   1HH1  ARG  24          1HH1      ARG  24 -12.029   4.757  -1.567
  203   2HH1  ARG  24          2HH1      ARG  24 -12.059   4.843   0.163
  204   1HH2  ARG  24          1HH2      ARG  24 -13.316   1.637   0.566
  205   2HH2  ARG  24          2HH2      ARG  24 -12.787   3.078   1.371
  206    HA   PRO  25           HA       PRO  25 -12.691   1.916  -9.588
  207   1HB   PRO  25          2HB       PRO  25 -10.306   1.782 -10.955
  208   2HB   PRO  25          1HB       PRO  25 -10.763   3.137  -9.899
  209   1HG   PRO  25          2HG       PRO  25  -9.062   0.755  -9.279
  210   2HG   PRO  25          1HG       PRO  25  -8.770   2.467  -8.916
  211   1HD   PRO  25          2HD       PRO  25  -9.673   0.849  -7.033
  212   2HD   PRO  25          1HD       PRO  25 -10.324   2.496  -7.169
  213    H    LYS  26           H        LYS  26 -10.815  -0.994  -9.007
  214    HA   LYS  26           HA       LYS  26 -11.331  -2.314 -11.537
  215   1HB   LYS  26          2HB       LYS  26  -9.624  -2.817  -9.649
  216   2HB   LYS  26          1HB       LYS  26 -10.976  -3.603  -8.828
  217   1HG   LYS  26          2HG       LYS  26 -10.352  -4.301 -11.686
  218   2HG   LYS  26          1HG       LYS  26  -9.423  -5.038 -10.380
  219   1HD   LYS  26          2HD       LYS  26 -11.684  -5.632  -9.319
  220   2HD   LYS  26          1HD       LYS  26 -12.399  -5.214 -10.877
  221   1HE   LYS  26          2HE       LYS  26 -12.013  -7.517 -11.140
  222   2HE   LYS  26          1HE       LYS  26 -10.521  -6.838 -11.819
  223   1HZ   LYS  26          1HZ       LYS  26 -10.911  -7.648  -8.984
  224   2HZ   LYS  26          2HZ       LYS  26  -9.486  -7.000  -9.646
  225   3HZ   LYS  26          3HZ       LYS  26 -10.038  -8.529 -10.141
  226    H    ILE  27           H        ILE  27 -12.862  -2.357  -8.336
  227    HA   ILE  27           HA       ILE  27 -14.935  -4.244  -8.812
  228    HB   ILE  27           HB       ILE  27 -14.905  -1.731  -7.093
  229   1HG1  ILE  27          2HG1      ILE  27 -12.984  -3.165  -6.576
  230   2HG1  ILE  27          1HG1      ILE  27 -14.160  -3.253  -5.276
  231   1HG2  ILE  27          1HG2      ILE  27 -17.149  -2.598  -7.245
  232   2HG2  ILE  27          2HG2      ILE  27 -16.501  -3.053  -5.668
  233   3HG2  ILE  27          3HG2      ILE  27 -16.586  -4.246  -6.964
  234   1HD1  ILE  27          1HD1      ILE  27 -13.498  -5.497  -5.692
  235   2HD1  ILE  27          2HD1      ILE  27 -13.632  -5.291  -7.438
  236   3HD1  ILE  27          3HD1      ILE  27 -15.086  -5.326  -6.440
  237    H    LYS  28           H        LYS  28 -14.669  -0.817  -9.598
  238    HA   LYS  28           HA       LYS  28 -17.474  -0.416 -10.165
  239   1HB   LYS  28          2HB       LYS  28 -15.268   1.232 -11.395
  240   2HB   LYS  28          1HB       LYS  28 -16.830   1.758 -10.789
  241   1HG   LYS  28          2HG       LYS  28 -14.322   1.126  -9.275
  242   2HG   LYS  28          1HG       LYS  28 -15.296   2.576  -9.202
  243   1HD   LYS  28          2HD       LYS  28 -15.955  -0.136  -8.000
  244   2HD   LYS  28          1HD       LYS  28 -15.592   1.353  -7.141
  245   1HE   LYS  28          2HE       LYS  28 -17.940   1.170  -9.052
  246   2HE   LYS  28          1HE       LYS  28 -18.085   0.771  -7.330
  247   1HZ   LYS  28          1HZ       LYS  28 -17.057   3.320  -8.461
  248   2HZ   LYS  28          2HZ       LYS  28 -17.077   2.928  -6.808
  249   3HZ   LYS  28          3HZ       LYS  28 -18.536   3.108  -7.659
  250    H    SER  29           H        SER  29 -14.671  -1.241 -12.197
  251    HA   SER  29           HA       SER  29 -15.852  -0.953 -14.759
  252   1HB   SER  29          2HB       SER  29 -13.449  -1.417 -14.164
  253   2HB   SER  29          1HB       SER  29 -13.906  -3.084 -13.822
  254    HG   SER  29           HG       SER  29 -13.974  -3.458 -15.889
  255    H    GLU  30           H        GLU  30 -16.302  -3.447 -12.331
  256    HA   GLU  30           HA       GLU  30 -18.006  -5.005 -14.250
  257   1HB   GLU  30          2HB       GLU  30 -15.979  -5.650 -12.225
  258   2HB   GLU  30          1HB       GLU  30 -17.453  -6.595 -12.032
  259   1HG   GLU  30          2HG       GLU  30 -16.123  -6.280 -14.724
  260   2HG   GLU  30          1HG       GLU  30 -15.645  -7.553 -13.601
  261    H    HIS  31           H        HIS  31 -17.935  -3.285 -11.216
  262    HA   HIS  31           HA       HIS  31 -20.800  -4.056 -10.740
  263   1HB   HIS  31          2HB       HIS  31 -18.777  -3.189  -8.649
  264   2HB   HIS  31          1HB       HIS  31 -20.359  -3.902  -8.372
  265    HD1  HIS  31           1HD      HIS  31 -16.833  -4.765  -9.165
  266    HD2  HIS  31           2HD      HIS  31 -20.497  -6.741  -8.942
  267    HE1  HIS  31           1HE      HIS  31 -16.310  -7.241  -9.168
  268    HA   PRO  32           HA       PRO  32 -20.761   0.450 -11.480
  269   1HB   PRO  32          2HB       PRO  32 -23.284   0.579 -12.530
  270   2HB   PRO  32          1HB       PRO  32 -21.856   0.159 -13.492
  271   1HG   PRO  32          2HG       PRO  32 -23.973  -1.596 -12.391
  272   2HG   PRO  32          1HG       PRO  32 -23.059  -1.734 -13.899
  273   1HD   PRO  32          2HD       PRO  32 -22.569  -3.207 -11.622
  274   2HD   PRO  32          1HD       PRO  32 -21.391  -2.920 -12.918
  275    H    GLY  33           H        GLY  33 -23.435  -1.502 -10.178
  276   1HA   GLY  33          2HA       GLY  33 -24.623   0.648  -8.660
  277   2HA   GLY  33          1HA       GLY  33 -24.947  -1.071  -8.440
  278    H    LEU  34           H        LEU  34 -21.876  -1.398  -8.134
  279    HA   LEU  34           HA       LEU  34 -21.722  -1.587  -5.318
  280   1HB   LEU  34          2HB       LEU  34 -20.048  -1.902  -7.646
  281   2HB   LEU  34          1HB       LEU  34 -19.124  -1.089  -6.393
  282    HG   LEU  34           HG       LEU  34 -18.947  -3.584  -6.295
  283   1HD1  LEU  34          1HD1      LEU  34 -19.938  -1.866  -4.080
  284   2HD1  LEU  34          2HD1      LEU  34 -18.421  -2.751  -4.232
  285   3HD1  LEU  34          3HD1      LEU  34 -19.897  -3.603  -3.783
  286   1HD2  LEU  34          1HD2      LEU  34 -21.613  -3.616  -6.845
  287   2HD2  LEU  34          2HD2      LEU  34 -21.653  -3.814  -5.093
  288   3HD2  LEU  34          3HD2      LEU  34 -20.762  -4.964  -6.091
  289    H    SER  35           H        SER  35 -22.592   0.488  -4.523
  290    HA   SER  35           HA       SER  35 -21.243   3.014  -5.035
  291   1HB   SER  35          2HB       SER  35 -23.118   2.076  -2.838
  292   2HB   SER  35          1HB       SER  35 -22.703   3.758  -3.154
  293    HG   SER  35           HG       SER  35 -24.683   2.970  -4.163
  294    H    ILE  36           H        ILE  36 -20.354   4.260  -2.997
  295    HA   ILE  36           HA       ILE  36 -17.949   3.080  -2.092
  296    HB   ILE  36           HB       ILE  36 -19.700   5.240  -0.866
  297   1HG1  ILE  36          2HG1      ILE  36 -18.997   5.693  -3.191
  298   2HG1  ILE  36          1HG1      ILE  36 -18.178   6.776  -2.069
  299   1HG2  ILE  36          1HG2      ILE  36 -17.466   6.020   0.100
  300   2HG2  ILE  36          2HG2      ILE  36 -16.834   4.429  -0.322
  301   3HG2  ILE  36          3HG2      ILE  36 -18.156   4.571   0.836
  302   1HD1  ILE  36          1HD1      ILE  36 -16.230   5.147  -2.080
  303   2HD1  ILE  36          2HD1      ILE  36 -16.511   5.979  -3.610
  304   3HD1  ILE  36          3HD1      ILE  36 -17.037   4.308  -3.406
  305    H    GLY  37           H        GLY  37 -21.192   2.971  -0.676
  306   1HA   GLY  37          2HA       GLY  37 -20.540   1.966   1.898
  307   2HA   GLY  37          1HA       GLY  37 -22.063   1.653   1.063
  308    H    ASP  38           H        ASP  38 -21.738   0.018  -0.858
  309    HA   ASP  38           HA       ASP  38 -20.844  -2.489   0.270
  310   1HB   ASP  38          2HB       ASP  38 -22.017  -1.437  -2.253
  311   2HB   ASP  38          1HB       ASP  38 -21.170  -2.979  -2.379
  312    H    THR  39           H        THR  39 -19.428  -0.198  -2.037
  313    HA   THR  39           HA       THR  39 -17.239  -1.822  -2.936
  314    HB   THR  39           HB       THR  39 -17.516   1.187  -2.616
  315    HG1  THR  39           1HG      THR  39 -18.279   1.097  -4.689
  316   1HG2  THR  39          1HG2      THR  39 -15.192   0.676  -2.952
  317   2HG2  THR  39          2HG2      THR  39 -15.830   1.192  -4.513
  318   3HG2  THR  39          3HG2      THR  39 -15.573  -0.523  -4.188
  319    H    ALA  40           H        ALA  40 -17.717   0.139  -0.048
  320    HA   ALA  40           HA       ALA  40 -14.925   0.088   0.793
  321   1HB   ALA  40          1HB       ALA  40 -17.536   0.650   2.240
  322   2HB   ALA  40          2HB       ALA  40 -16.502   1.846   1.458
  323   3HB   ALA  40          3HB       ALA  40 -15.935   0.992   2.893
  324    H    LYS  41           H        LYS  41 -17.871  -1.710   1.720
  325    HA   LYS  41           HA       LYS  41 -16.348  -3.438   3.540
  326   1HB   LYS  41          2HB       LYS  41 -18.548  -4.349   4.064
  327   2HB   LYS  41          1HB       LYS  41 -18.633  -2.591   4.021
  328   1HG   LYS  41          2HG       LYS  41 -19.392  -2.840   1.586
  329   2HG   LYS  41          1HG       LYS  41 -19.596  -4.553   1.933
  330   1HD   LYS  41          2HD       LYS  41 -21.731  -3.499   2.296
  331   2HD   LYS  41          1HD       LYS  41 -21.066  -3.893   3.880
  332   1HE   LYS  41          2HE       LYS  41 -20.046  -1.347   3.412
  333   2HE   LYS  41          1HE       LYS  41 -21.687  -1.262   2.739
  334   1HZ   LYS  41          1HZ       LYS  41 -20.966  -2.321   5.422
  335   2HZ   LYS  41          2HZ       LYS  41 -22.534  -2.275   4.766
  336   3HZ   LYS  41          3HZ       LYS  41 -21.715  -0.829   5.120
  337    H    LYS  42           H        LYS  42 -17.157  -3.542   0.162
  338    HA   LYS  42           HA       LYS  42 -17.129  -6.489   0.006
  339   1HB   LYS  42          2HB       LYS  42 -18.546  -4.945  -1.405
  340   2HB   LYS  42          1HB       LYS  42 -17.064  -4.358  -2.156
  341   1HG   LYS  42          2HG       LYS  42 -18.160  -6.104  -3.524
  342   2HG   LYS  42          1HG       LYS  42 -16.565  -6.617  -2.982
  343   1HD   LYS  42          2HD       LYS  42 -17.418  -8.351  -1.804
  344   2HD   LYS  42          1HD       LYS  42 -18.643  -7.331  -1.053
  345   1HE   LYS  42          2HE       LYS  42 -20.226  -8.215  -2.408
  346   2HE   LYS  42          1HE       LYS  42 -19.316  -7.696  -3.840
  347   1HZ   LYS  42          1HZ       LYS  42 -18.750 -10.133  -2.232
  348   2HZ   LYS  42          2HZ       LYS  42 -17.896  -9.630  -3.612
  349   3HZ   LYS  42          3HZ       LYS  42 -19.519 -10.118  -3.744
  350    H    LEU  43           H        LEU  43 -14.719  -4.347   0.600
  351    HA   LEU  43           HA       LEU  43 -12.753  -5.561  -1.289
  352   1HB   LEU  43          2HB       LEU  43 -13.004  -3.037   0.313
  353   2HB   LEU  43          1HB       LEU  43 -11.386  -3.613  -0.095
  354    HG   LEU  43           HG       LEU  43 -13.573  -3.310  -2.163
  355   1HD1  LEU  43          1HD1      LEU  43 -11.347  -1.332  -1.937
  356   2HD1  LEU  43          2HD1      LEU  43 -12.693  -1.176  -0.808
  357   3HD1  LEU  43          3HD1      LEU  43 -12.988  -1.112  -2.545
  358   1HD2  LEU  43          1HD2      LEU  43 -10.560  -3.634  -2.248
  359   2HD2  LEU  43          2HD2      LEU  43 -11.526  -3.199  -3.657
  360   3HD2  LEU  43          3HD2      LEU  43 -11.773  -4.755  -2.864
  361    H    GLY  44           H        GLY  44 -13.619  -5.235   2.109
  362   1HA   GLY  44          2HA       GLY  44 -11.178  -6.265   3.228
  363   2HA   GLY  44          1HA       GLY  44 -12.742  -6.237   4.043
  364    H    GLU  45           H        GLU  45 -14.035  -7.773   1.846
  365    HA   GLU  45           HA       GLU  45 -13.912 -10.395   2.851
  366   1HB   GLU  45          2HB       GLU  45 -15.523  -9.237   1.194
  367   2HB   GLU  45          1HB       GLU  45 -14.379  -9.722  -0.058
  368   1HG   GLU  45          2HG       GLU  45 -14.566 -12.092   0.881
  369   2HG   GLU  45          1HG       GLU  45 -15.948 -11.508   1.809
  370    H    MET  46           H        MET  46 -12.071  -9.011   0.117
  371    HA   MET  46           HA       MET  46 -10.544 -11.507  -0.264
  372   1HB   MET  46          2HB       MET  46 -10.632  -8.755  -1.514
  373   2HB   MET  46          1HB       MET  46  -9.407  -9.936  -1.977
  374   1HG   MET  46          2HG       MET  46 -11.206 -11.556  -2.533
  375   2HG   MET  46          1HG       MET  46 -12.409 -10.329  -2.135
  376   1HE   MET  46          1HE       MET  46 -12.612 -11.595  -5.022
  377   2HE   MET  46          2HE       MET  46 -10.979 -12.141  -4.644
  378   3HE   MET  46          3HE       MET  46 -11.272 -11.214  -6.113
  379    H    TRP  47           H        TRP  47  -9.964  -8.182   0.877
  380    HA   TRP  47           HA       TRP  47  -7.178  -8.282   1.319
  381   1HB   TRP  47          2HB       TRP  47  -8.689  -6.301   1.488
  382   2HB   TRP  47          1HB       TRP  47  -9.310  -6.940   3.010
  383    HD1  TRP  47           HD       TRP  47  -8.078  -6.210   5.110
  384    HE1  TRP  47           1HE      TRP  47  -5.781  -5.162   5.630
  385    HE3  TRP  47           3HE      TRP  47  -6.010  -6.255   0.440
  386    HZ2  TRP  47           2HZ      TRP  47  -3.384  -4.437   4.248
  387    HZ3  TRP  47           3HZ      TRP  47  -3.721  -5.380   0.070
  388    HH2  TRP  47           HH       TRP  47  -2.406  -4.473   1.966
  389    H    SER  48           H        SER  48  -9.751  -9.856   3.118
  390    HA   SER  48           HA       SER  48  -7.964 -10.440   5.415
  391   1HB   SER  48          2HB       SER  48 -10.324  -9.743   5.731
  392   2HB   SER  48          1HB       SER  48 -10.855 -11.139   4.796
  393    HG   SER  48           HG       SER  48 -10.275 -12.453   6.404
  394    H    GLU  49           H        GLU  49  -9.508 -12.020   2.652
  395    HA   GLU  49           HA       GLU  49  -9.002 -14.749   3.365
  396   1HB   GLU  49          2HB       GLU  49  -9.355 -13.216   0.783
  397   2HB   GLU  49          1HB       GLU  49  -9.098 -14.960   0.780
  398   1HG   GLU  49          2HG       GLU  49 -11.224 -13.723   2.520
  399   2HG   GLU  49          1HG       GLU  49 -11.546 -14.090   0.826
  400    H    GLN  50           H        GLN  50  -7.028 -12.300   1.725
  401    HA   GLN  50           HA       GLN  50  -4.860 -13.990   0.903
  402   1HB   GLN  50          2HB       GLN  50  -5.088 -11.058   1.644
  403   2HB   GLN  50          1HB       GLN  50  -3.633 -11.761   0.938
  404   1HG   GLN  50          2HG       GLN  50  -6.369 -11.988  -0.340
  405   2HG   GLN  50          1HG       GLN  50  -5.223 -10.706  -0.734
  406   1HE2  GLN  50          1HE2      GLN  50  -3.480 -11.222  -2.137
  407   2HE2  GLN  50          2HE2      GLN  50  -3.219 -12.774  -2.774
  408    H    SER  51           H        SER  51  -2.767 -14.226   1.927
  409    HA   SER  51           HA       SER  51  -2.916 -14.201   4.911
  410   1HB   SER  51          2HB       SER  51  -1.031 -15.656   3.029
  411   2HB   SER  51          1HB       SER  51  -1.250 -15.971   4.749
  412    HG   SER  51           HG       SER  51  -3.195 -16.841   4.353
  413    H    ALA  52           H        ALA  52   0.015 -14.446   5.119
  414    HA   ALA  52           HA       ALA  52   0.691 -11.583   4.976
  415   1HB   ALA  52          1HB       ALA  52   1.205 -13.106   6.904
  416   2HB   ALA  52          2HB       ALA  52   2.642 -12.317   6.255
  417   3HB   ALA  52          3HB       ALA  52   2.304 -14.002   5.855
  418    H    LYS  53           H        LYS  53   0.344 -12.342   2.381
  419    HA   LYS  53           HA       LYS  53   3.142 -12.616   1.335
  420   1HB   LYS  53          2HB       LYS  53   0.540 -13.917   0.509
  421   2HB   LYS  53          1HB       LYS  53   1.927 -13.847  -0.580
  422   1HG   LYS  53          2HG       LYS  53   3.308 -15.054   1.009
  423   2HG   LYS  53          1HG       LYS  53   2.027 -15.003   2.220
  424   1HD   LYS  53          2HD       LYS  53   0.567 -16.310   0.668
  425   2HD   LYS  53          1HD       LYS  53   1.930 -16.448  -0.443
  426   1HE   LYS  53          2HE       LYS  53   2.264 -17.292   2.431
  427   2HE   LYS  53          1HE       LYS  53   1.522 -18.397   1.257
  428   1HZ   LYS  53          1HZ       LYS  53   4.130 -17.010   0.922
  429   2HZ   LYS  53          2HZ       LYS  53   3.405 -18.038  -0.219
  430   3HZ   LYS  53          3HZ       LYS  53   3.929 -18.656   1.274
  431    H    ASP  54           H        ASP  54  -0.197 -11.672   0.405
  432    HA   ASP  54           HA       ASP  54   0.699  -9.933  -1.746
  433   1HB   ASP  54          2HB       ASP  54  -1.510 -11.201  -1.442
  434   2HB   ASP  54          1HB       ASP  54  -1.969  -9.916  -0.325
  435    H    LYS  55           H        LYS  55   0.141  -9.456   1.694
  436    HA   LYS  55           HA       LYS  55  -0.015  -6.518   1.421
  437   1HB   LYS  55          2HB       LYS  55  -0.101  -8.529   3.676
  438   2HB   LYS  55          1HB       LYS  55  -0.086  -6.793   3.982
  439   1HG   LYS  55          2HG       LYS  55  -2.348  -6.968   3.803
  440   2HG   LYS  55          1HG       LYS  55  -2.034  -6.967   2.068
  441   1HD   LYS  55          2HD       LYS  55  -3.401  -8.873   2.421
  442   2HD   LYS  55          1HD       LYS  55  -1.764  -9.520   2.294
  443   1HE   LYS  55          2HE       LYS  55  -1.585  -9.833   4.648
  444   2HE   LYS  55          1HE       LYS  55  -2.994  -8.802   4.968
  445   1HZ   LYS  55          1HZ       LYS  55  -2.992 -11.404   3.532
  446   2HZ   LYS  55          2HZ       LYS  55  -4.341 -10.379   3.660
  447   3HZ   LYS  55          3HZ       LYS  55  -3.677 -11.092   5.053
  448    H    GLN  56           H        GLN  56   2.261  -8.960   2.677
  449    HA   GLN  56           HA       GLN  56   4.205  -7.488   3.954
  450   1HB   GLN  56          2HB       GLN  56   4.169  -9.871   2.169
  451   2HB   GLN  56          1HB       GLN  56   5.751  -9.205   2.574
  452   1HG   GLN  56          2HG       GLN  56   3.668  -9.758   4.691
  453   2HG   GLN  56          1HG       GLN  56   4.814 -10.992   4.167
  454   1HE2  GLN  56          1HE2      GLN  56   7.228 -10.058   4.115
  455   2HE2  GLN  56          2HE2      GLN  56   7.669  -9.144   5.475
  456    HA   PRO  57           HA       PRO  57   6.483  -6.219  -0.055
  457   1HB   PRO  57          2HB       PRO  57   5.237  -6.589  -2.461
  458   2HB   PRO  57          1HB       PRO  57   6.298  -7.808  -1.726
  459   1HG   PRO  57          2HG       PRO  57   3.328  -7.652  -1.748
  460   2HG   PRO  57          1HG       PRO  57   4.381  -9.061  -1.948
  461   1HD   PRO  57          2HD       PRO  57   3.107  -8.496   0.373
  462   2HD   PRO  57          1HD       PRO  57   4.678  -9.324   0.315
  463    H    TYR  58           H        TYR  58   2.949  -5.982  -0.225
  464    HA   TYR  58           HA       TYR  58   2.924  -3.311  -1.388
  465   1HB   TYR  58          2HB       TYR  58   1.158  -5.424  -0.984
  466   2HB   TYR  58          1HB       TYR  58   0.557  -4.189   0.119
  467    HD1  TYR  58           1HD      TYR  58  -0.891  -2.561  -0.726
  468    HD2  TYR  58           2HD      TYR  58   1.843  -4.529  -3.391
  469    HE1  TYR  58           1HE      TYR  58  -1.882  -1.344  -2.646
  470    HE2  TYR  58           2HE      TYR  58   0.850  -3.312  -5.310
  471    HH   TYR  58           HH       TYR  58  -1.591  -2.209  -5.720
  472    H    GLU  59           H        GLU  59   3.587  -4.462   1.768
  473    HA   GLU  59           HA       GLU  59   2.425  -2.266   3.297
  474   1HB   GLU  59          2HB       GLU  59   4.331  -4.547   3.745
  475   2HB   GLU  59          1HB       GLU  59   4.209  -3.285   4.968
  476   1HG   GLU  59          2HG       GLU  59   1.719  -4.571   3.874
  477   2HG   GLU  59          1HG       GLU  59   2.641  -5.368   5.145
  478    H    GLN  60           H        GLN  60   5.827  -3.161   2.587
  479    HA   GLN  60           HA       GLN  60   7.149  -0.898   3.530
  480   1HB   GLN  60          2HB       GLN  60   8.874  -1.504   1.834
  481   2HB   GLN  60          1HB       GLN  60   8.236  -2.915   2.672
  482   1HG   GLN  60          2HG       GLN  60   6.844  -3.501   0.813
  483   2HG   GLN  60          1HG       GLN  60   7.146  -1.957   0.017
  484   1HE2  GLN  60          1HE2      GLN  60   9.021  -4.784   1.264
  485   2HE2  GLN  60          2HE2      GLN  60  10.154  -4.769   0.000
  486    H    LYS  61           H        LYS  61   5.230  -1.149   0.576
  487    HA   LYS  61           HA       LYS  61   6.174   1.127  -0.845
  488   1HB   LYS  61          2HB       LYS  61   4.601  -0.598  -1.690
  489   2HB   LYS  61          1HB       LYS  61   3.363  -0.001  -0.584
  490   1HG   LYS  61          2HG       LYS  61   3.213   2.090  -1.719
  491   2HG   LYS  61          1HG       LYS  61   4.692   1.786  -2.629
  492   1HD   LYS  61          2HD       LYS  61   3.357  -0.331  -3.485
  493   2HD   LYS  61          1HD       LYS  61   1.953   0.635  -3.026
  494   1HE   LYS  61          2HE       LYS  61   2.995   2.541  -4.396
  495   2HE   LYS  61          1HE       LYS  61   4.092   1.314  -5.060
  496   1HZ   LYS  61          1HZ       LYS  61   2.075   1.502  -6.398
  497   2HZ   LYS  61          2HZ       LYS  61   1.123   1.143  -5.038
  498   3HZ   LYS  61          3HZ       LYS  61   2.181  -0.026  -5.672
  499    H    ALA  62           H        ALA  62   3.429   0.930   1.455
  500    HA   ALA  62           HA       ALA  62   3.073   3.813   1.542
  501   1HB   ALA  62          1HB       ALA  62   1.157   2.553   2.027
  502   2HB   ALA  62          2HB       ALA  62   1.702   3.010   3.640
  503   3HB   ALA  62          3HB       ALA  62   2.054   1.399   3.016
  504    H    ALA  63           H        ALA  63   5.378   1.725   2.962
  505    HA   ALA  63           HA       ALA  63   5.757   3.259   5.437
  506   1HB   ALA  63          1HB       ALA  63   6.152   0.767   5.064
  507   2HB   ALA  63          2HB       ALA  63   7.487   1.631   5.826
  508   3HB   ALA  63          3HB       ALA  63   7.566   1.220   4.113
  509    H    LYS  64           H        LYS  64   6.443   3.930   2.209
  510    HA   LYS  64           HA       LYS  64   9.039   5.278   2.795
  511   1HB   LYS  64          2HB       LYS  64   7.530   4.340   0.351
  512   2HB   LYS  64          1HB       LYS  64   8.887   5.451   0.213
  513   1HG   LYS  64          2HG       LYS  64   9.046   2.805   1.671
  514   2HG   LYS  64          1HG       LYS  64   9.488   2.997  -0.026
  515   1HD   LYS  64          2HD       LYS  64  11.444   4.045   0.469
  516   2HD   LYS  64          1HD       LYS  64  10.718   4.995   1.766
  517   1HE   LYS  64          2HE       LYS  64  10.770   2.987   3.242
  518   2HE   LYS  64          1HE       LYS  64  11.579   2.084   1.946
  519   1HZ   LYS  64          1HZ       LYS  64  13.378   3.603   1.947
  520   2HZ   LYS  64          2HZ       LYS  64  13.112   3.190   3.574
  521   3HZ   LYS  64          3HZ       LYS  64  12.570   4.684   2.974
  522    H    LEU  65           H        LEU  65   5.694   5.764   1.899
  523    HA   LEU  65           HA       LEU  65   6.040   8.639   1.313
  524   1HB   LEU  65          2HB       LEU  65   3.858   6.575   1.229
  525   2HB   LEU  65          1HB       LEU  65   3.421   8.285   1.214
  526    HG   LEU  65           HG       LEU  65   5.289   8.419  -0.651
  527   1HD1  LEU  65          1HD1      LEU  65   4.974   6.212  -2.031
  528   2HD1  LEU  65          2HD1      LEU  65   4.563   5.505  -0.469
  529   3HD1  LEU  65          3HD1      LEU  65   6.147   6.241  -0.715
  530   1HD2  LEU  65          1HD2      LEU  65   2.759   8.800  -0.814
  531   2HD2  LEU  65          2HD2      LEU  65   2.643   7.119  -1.339
  532   3HD2  LEU  65          3HD2      LEU  65   3.561   8.281  -2.297
  533    H    LYS  66           H        LYS  66   5.564   6.666   4.081
  534    HA   LYS  66           HA       LYS  66   3.918   8.546   5.608
  535   1HB   LYS  66          2HB       LYS  66   3.911   6.080   5.938
  536   2HB   LYS  66          1HB       LYS  66   5.610   6.149   6.408
  537   1HG   LYS  66          2HG       LYS  66   4.713   6.293   8.510
  538   2HG   LYS  66          1HG       LYS  66   4.613   8.005   8.095
  539   1HD   LYS  66          2HD       LYS  66   2.435   7.516   8.837
  540   2HD   LYS  66          1HD       LYS  66   2.294   7.390   7.083
  541   1HE   LYS  66          2HE       LYS  66   2.373   4.995   7.151
  542   2HE   LYS  66          1HE       LYS  66   2.885   4.996   8.851
  543   1HZ   LYS  66          1HZ       LYS  66   0.812   6.106   9.432
  544   2HZ   LYS  66          2HZ       LYS  66   0.502   4.616   8.679
  545   3HZ   LYS  66          3HZ       LYS  66   0.312   6.064   7.811
  546    H    GLU  67           H        GLU  67   7.341   7.780   5.174
  547    HA   GLU  67           HA       GLU  67   8.353   9.333   7.391
  548   1HB   GLU  67          2HB       GLU  67   9.392   8.133   4.843
  549   2HB   GLU  67          1HB       GLU  67  10.423   9.261   5.724
  550   1HG   GLU  67          2HG       GLU  67   9.100   6.857   7.005
  551   2HG   GLU  67          1HG       GLU  67  10.747   6.842   6.373
  552    H    LYS  68           H        LYS  68   8.421  10.046   3.873
  553    HA   LYS  68           HA       LYS  68   9.179  12.769   4.061
  554   1HB   LYS  68          2HB       LYS  68   7.442  11.307   2.045
  555   2HB   LYS  68          1HB       LYS  68   8.205  12.873   1.762
  556   1HG   LYS  68          2HG       LYS  68   9.974  10.681   2.726
  557   2HG   LYS  68          1HG       LYS  68   9.381  10.551   1.069
  558   1HD   LYS  68          2HD       LYS  68  10.637  13.083   2.145
  559   2HD   LYS  68          1HD       LYS  68  11.583  11.815   1.366
  560   1HE   LYS  68          2HE       LYS  68  10.112  12.008  -0.653
  561   2HE   LYS  68          1HE       LYS  68   9.291  13.377   0.123
  562   1HZ   LYS  68          1HZ       LYS  68  11.133  14.130  -1.271
  563   2HZ   LYS  68          2HZ       LYS  68  12.216  13.177  -0.374
  564   3HZ   LYS  68          3HZ       LYS  68  11.420  14.485   0.362
  565    H    TYR  69           H        TYR  69   6.061  11.257   4.604
  566    HA   TYR  69           HA       TYR  69   4.451  13.665   4.318
  567   1HB   TYR  69          2HB       TYR  69   3.512  11.428   4.070
  568   2HB   TYR  69          1HB       TYR  69   4.056  10.978   5.682
  569    HD1  TYR  69           1HD      TYR  69   2.389  14.143   4.552
  570    HD2  TYR  69           2HD      TYR  69   2.077  10.549   6.884
  571    HE1  TYR  69           1HE      TYR  69   0.250  14.950   5.507
  572    HE2  TYR  69           2HE      TYR  69  -0.062  11.360   7.841
  573    HH   TYR  69           HH       TYR  69  -1.951  13.302   6.737
  574    H    GLU  70           H        GLU  70   5.130  11.743   7.236
  575    HA   GLU  70           HA       GLU  70   4.471  13.781   9.124
  576   1HB   GLU  70          2HB       GLU  70   6.268  11.343   9.253
  577   2HB   GLU  70          1HB       GLU  70   5.781  12.269  10.673
  578   1HG   GLU  70          2HG       GLU  70   3.394  11.866  10.077
  579   2HG   GLU  70          1HG       GLU  70   3.927  10.859   8.731
  580    H    LYS  71           H        LYS  71   7.321  13.425   7.163
  581    HA   LYS  71           HA       LYS  71   8.971  15.094   8.990
  582   1HB   LYS  71          2HB       LYS  71   9.633  12.935   7.673
  583   2HB   LYS  71          1HB       LYS  71   9.778  14.026   6.295
  584   1HG   LYS  71          2HG       LYS  71  11.367  15.422   7.538
  585   2HG   LYS  71          1HG       LYS  71  11.200  14.379   8.950
  586   1HD   LYS  71          2HD       LYS  71  12.032  13.244   6.285
  587   2HD   LYS  71          1HD       LYS  71  13.220  13.971   7.368
  588   1HE   LYS  71          2HE       LYS  71  11.298  11.902   8.428
  589   2HE   LYS  71          1HE       LYS  71  12.777  11.403   7.582
  590   1HZ   LYS  71          1HZ       LYS  71  13.185  11.699   9.956
  591   2HZ   LYS  71          2HZ       LYS  71  12.652  13.309   9.860
  592   3HZ   LYS  71          3HZ       LYS  71  14.063  12.828   9.045
  593    H    ASP  72           H        ASP  72   7.162  15.333   5.995
  594    HA   ASP  72           HA       ASP  72   8.379  18.001   5.412
  595   1HB   ASP  72          2HB       ASP  72   8.215  16.123   3.705
  596   2HB   ASP  72          1HB       ASP  72   6.465  16.349   3.745
  597    H    ILE  73           H        ILE  73   5.328  16.435   6.272
  598    HA   ILE  73           HA       ILE  73   3.576  18.634   5.717
  599    HB   ILE  73           HB       ILE  73   2.985  16.222   6.161
  600   1HG1  ILE  73          2HG1      ILE  73   0.969  16.827   7.632
  601   2HG1  ILE  73          1HG1      ILE  73   1.650  18.454   7.695
  602   1HG2  ILE  73          1HG2      ILE  73   3.148  16.911   9.092
  603   2HG2  ILE  73          2HG2      ILE  73   4.512  16.169   8.256
  604   3HG2  ILE  73          3HG2      ILE  73   2.966  15.325   8.343
  605   1HD1  ILE  73          1HD1      ILE  73  -0.013  18.197   5.855
  606   2HD1  ILE  73          2HD1      ILE  73   1.008  16.949   5.141
  607   3HD1  ILE  73          3HD1      ILE  73   1.594  18.608   5.256
  608    H    ALA  74           H        ALA  74   5.754  17.976   8.392
  609    HA   ALA  74           HA       ALA  74   4.627  19.808  10.315
  610   1HB   ALA  74          1HB       ALA  74   6.972  19.616  11.270
  611   2HB   ALA  74          2HB       ALA  74   7.405  18.681   9.839
  612   3HB   ALA  74          3HB       ALA  74   6.187  18.068  10.957
  613    H    ALA  75           H        ALA  75   7.482  20.150   8.174
  614    HA   ALA  75           HA       ALA  75   7.838  22.969   8.648
  615   1HB   ALA  75          1HB       ALA  75   8.663  21.101   6.401
  616   2HB   ALA  75          2HB       ALA  75   9.619  21.535   7.819
  617   3HB   ALA  75          3HB       ALA  75   9.276  22.746   6.583
  618    H    TYR  76           H        TYR  76   5.748  21.141   6.516
  619    HA   TYR  76           HA       TYR  76   5.186  23.198   4.575
  620   1HB   TYR  76          2HB       TYR  76   4.747  20.737   4.365
  621   2HB   TYR  76          1HB       TYR  76   3.463  20.898   5.563
  622    HD1  TYR  76           1HD      TYR  76   1.421  22.202   5.057
  623    HD2  TYR  76           2HD      TYR  76   4.477  21.564   2.107
  624    HE1  TYR  76           1HE      TYR  76  -0.152  22.911   3.274
  625    HE2  TYR  76           2HE      TYR  76   2.905  22.272   0.325
  626    HH   TYR  76           HH       TYR  76   0.834  23.707   0.167
  627    H    ARG  77           H        ARG  77   3.678  22.274   7.664
  628    HA   ARG  77           HA       ARG  77   1.733  24.512   7.445
  629   1HB   ARG  77          2HB       ARG  77   2.107  22.036   9.094
  630   2HB   ARG  77          1HB       ARG  77   1.092  23.331   9.729
  631   1HG   ARG  77          2HG       ARG  77  -0.282  23.284   7.699
  632   2HG   ARG  77          1HG       ARG  77   0.753  22.032   7.010
  633   1HD   ARG  77          2HD       ARG  77  -0.112  20.378   8.374
  634   2HD   ARG  77          1HD       ARG  77  -0.431  21.504   9.708
  635    HE   ARG  77           HE       ARG  77  -2.299  22.433   8.247
  636   1HH1  ARG  77          1HH2      ARG  77  -1.786  20.919   5.767
  637   2HH1  ARG  77          2HH2      ARG  77  -2.873  19.576   5.898
  638   1HH2  ARG  77          1HH1      ARG  77  -3.383  19.983   9.304
  639   2HH2  ARG  77          2HH1      ARG  77  -3.776  19.047   7.901
  640    H    ALA  78           H        ALA  78   4.868  24.477   8.280
  641    HA   ALA  78           HA       ALA  78   6.221  25.723   9.757
  642   1HB   ALA  78          1HB       ALA  78   3.759  27.435  10.111
  643   2HB   ALA  78          2HB       ALA  78   4.621  27.382   8.572
  644   3HB   ALA  78          3HB       ALA  78   5.445  27.946  10.026
  645    H    LYS  79           H        LYS  79   6.216  24.011  11.409
  646    HA   LYS  79           HA       LYS  79   4.234  24.160  13.584
  647   1HB   LYS  79          2HB       LYS  79   6.674  22.486  13.012
  648   2HB   LYS  79          1HB       LYS  79   5.661  22.255  14.434
  649   1HG   LYS  79          2HG       LYS  79   4.515  22.252  11.639
  650   2HG   LYS  79          1HG       LYS  79   5.134  20.783  12.394
  651   1HD   LYS  79          2HD       LYS  79   3.038  22.562  13.666
  652   2HD   LYS  79          1HD       LYS  79   2.654  21.136  12.703
  653   1HE   LYS  79          2HE       LYS  79   4.304  19.901  14.328
  654   2HE   LYS  79          1HE       LYS  79   3.996  21.286  15.395
  655   1HZ   LYS  79          1HZ       LYS  79   1.642  20.935  15.177
  656   2HZ   LYS  79          2HZ       LYS  79   2.359  19.484  15.693
  657   3HZ   LYS  79          3HZ       LYS  79   1.881  19.670  14.074
  Start of MODEL    5
    1   1H    MET   1          1HT       MET   1  -9.285  14.758  -2.931
    2   2H    MET   1          2HT       MET   1 -10.584  14.563  -4.009
    3   3H    MET   1          3HT       MET   1  -9.019  14.858  -4.603
    4    HA   MET   1           HA       MET   1  -9.898  12.407  -3.157
    5   1HB   MET   1          2HB       MET   1 -10.609  13.067  -5.607
    6   2HB   MET   1          1HB       MET   1  -8.944  12.635  -6.000
    7   1HG   MET   1          2HG       MET   1 -10.231  10.638  -6.293
    8   2HG   MET   1          1HG       MET   1  -9.356  10.439  -4.775
    9   1HE   MET   1          1HE       MET   1 -11.554   8.499  -3.706
   10   2HE   MET   1          2HE       MET   1 -11.191   8.677  -5.420
   11   3HE   MET   1          3HE       MET   1 -12.863   8.745  -4.870
   12    H    LYS   2           H        LYS   2  -8.028  12.586  -1.723
   13    HA   LYS   2           HA       LYS   2  -5.773  12.241  -1.111
   14   1HB   LYS   2          2HB       LYS   2  -6.422  10.579  -3.474
   15   2HB   LYS   2          1HB       LYS   2  -4.699  10.780  -3.156
   16   1HG   LYS   2          2HG       LYS   2  -5.319   8.868  -1.893
   17   2HG   LYS   2          1HG       LYS   2  -5.254  10.179  -0.715
   18   1HD   LYS   2          2HD       LYS   2  -7.315   9.252  -0.190
   19   2HD   LYS   2          1HD       LYS   2  -7.808  10.459  -1.379
   20   1HE   LYS   2          2HE       LYS   2  -7.189   8.304  -2.983
   21   2HE   LYS   2          1HE       LYS   2  -7.884   7.526  -1.546
   22   1HZ   LYS   2          1HZ       LYS   2  -9.557   8.285  -3.229
   23   2HZ   LYS   2          2HZ       LYS   2  -9.103   9.883  -2.871
   24   3HZ   LYS   2          3HZ       LYS   2  -9.791   8.903  -1.666
   25    H    LYS   3           H        LYS   3  -5.906  14.753  -1.918
   26    HA   LYS   3           HA       LYS   3  -3.349  15.306  -3.142
   27   1HB   LYS   3          2HB       LYS   3  -4.847  14.631  -5.073
   28   2HB   LYS   3          1HB       LYS   3  -5.835  16.048  -4.713
   29   1HG   LYS   3          2HG       LYS   3  -3.670  17.411  -4.903
   30   2HG   LYS   3          1HG       LYS   3  -2.954  15.971  -5.625
   31   1HD   LYS   3          2HD       LYS   3  -4.581  15.976  -7.415
   32   2HD   LYS   3          1HD       LYS   3  -5.492  17.275  -6.642
   33   1HE   LYS   3          2HE       LYS   3  -3.475  18.759  -6.875
   34   2HE   LYS   3          1HE       LYS   3  -2.693  17.468  -7.809
   35   1HZ   LYS   3          1HZ       LYS   3  -3.881  19.003  -9.266
   36   2HZ   LYS   3          2HZ       LYS   3  -5.329  18.697  -8.430
   37   3HZ   LYS   3          3HZ       LYS   3  -4.579  17.457  -9.317
   38    H    LYS   4           H        LYS   4  -3.777  16.278  -0.828
   39    HA   LYS   4           HA       LYS   4  -5.489  18.505  -0.413
   40   1HB   LYS   4          2HB       LYS   4  -3.075  17.288   0.800
   41   2HB   LYS   4          1HB       LYS   4  -3.344  18.984   1.209
   42   1HG   LYS   4          2HG       LYS   4  -5.804  18.232   1.658
   43   2HG   LYS   4          1HG       LYS   4  -5.115  16.611   1.749
   44   1HD   LYS   4          2HD       LYS   4  -3.957  17.059   3.685
   45   2HD   LYS   4          1HD       LYS   4  -3.728  18.760   3.278
   46   1HE   LYS   4          2HE       LYS   4  -6.521  17.805   3.812
   47   2HE   LYS   4          1HE       LYS   4  -5.437  18.075   5.191
   48   1HZ   LYS   4          1HZ       LYS   4  -6.539  20.131   4.622
   49   2HZ   LYS   4          2HZ       LYS   4  -6.022  20.007   3.009
   50   3HZ   LYS   4          3HZ       LYS   4  -4.889  20.258   4.251
   51    H    ASP   5           H        ASP   5  -1.949  18.921  -0.563
   52    HA   ASP   5           HA       ASP   5  -2.395  21.336  -2.293
   53   1HB   ASP   5          2HB       ASP   5  -0.791  20.782   0.171
   54   2HB   ASP   5          1HB       ASP   5  -0.153  21.951  -0.985
   55    HA   PRO   6           HA       PRO   6   0.528  19.580  -5.099
   56   1HB   PRO   6          2HB       PRO   6   1.694  21.817  -6.140
   57   2HB   PRO   6          1HB       PRO   6   0.046  21.305  -6.551
   58   1HG   PRO   6          2HG       PRO   6   0.961  23.421  -4.675
   59   2HG   PRO   6          1HG       PRO   6  -0.431  23.405  -5.768
   60   1HD   PRO   6          2HD       PRO   6  -0.604  22.957  -3.079
   61   2HD   PRO   6          1HD       PRO   6  -1.761  22.317  -4.266
   62    H    ASN   7           H        ASN   7   1.587  21.596  -2.489
   63    HA   ASN   7           HA       ASN   7   4.427  20.733  -2.895
   64   1HB   ASN   7          2HB       ASN   7   3.092  23.105  -1.582
   65   2HB   ASN   7          1HB       ASN   7   4.780  22.707  -1.262
   66   1HD2  ASN   7          1HD2      ASN   7   6.063  22.256  -3.467
   67   2HD2  ASN   7          2HD2      ASN   7   5.773  23.381  -4.704
   68    H    ALA   8           H        ALA   8   1.648  20.601  -0.778
   69    HA   ALA   8           HA       ALA   8   3.204  19.605   1.530
   70   1HB   ALA   8          1HB       ALA   8   1.270  20.077   2.699
   71   2HB   ALA   8          2HB       ALA   8   0.226  19.505   1.398
   72   3HB   ALA   8          3HB       ALA   8   0.974  21.099   1.293
   73    HA   PRO   9           HA       PRO   9   2.658  15.394   0.220
   74   1HB   PRO   9          2HB       PRO   9   3.227  14.117   2.567
   75   2HB   PRO   9          1HB       PRO   9   4.475  14.856   1.545
   76   1HG   PRO   9          2HG       PRO   9   3.234  15.868   4.047
   77   2HG   PRO   9          1HG       PRO   9   4.902  16.014   3.472
   78   1HD   PRO   9          2HD       PRO   9   3.035  18.022   3.329
   79   2HD   PRO   9          1HD       PRO   9   4.453  17.894   2.267
   80    H    LYS  10           H        LYS  10   0.716  14.369  -0.035
   81    HA   LYS  10           HA       LYS  10  -1.646  14.944   1.408
   82   1HB   LYS  10          2HB       LYS  10  -2.510  12.931   0.239
   83   2HB   LYS  10          1HB       LYS  10  -1.547  13.941  -0.836
   84   1HG   LYS  10          2HG       LYS  10   0.127  12.005   0.558
   85   2HG   LYS  10          1HG       LYS  10  -1.171  11.204  -0.324
   86   1HD   LYS  10          2HD       LYS  10  -0.487  12.816  -2.273
   87   2HD   LYS  10          1HD       LYS  10   1.034  12.945  -1.388
   88   1HE   LYS  10          2HE       LYS  10   1.416  11.117  -2.843
   89   2HE   LYS  10          1HE       LYS  10   0.926  10.319  -1.335
   90   1HZ   LYS  10          1HZ       LYS  10  -0.881  11.059  -3.577
   91   2HZ   LYS  10          2HZ       LYS  10  -1.368  10.341  -2.116
   92   3HZ   LYS  10          3HZ       LYS  10  -0.373   9.486  -3.196
   93    H    ARG  11           H        ARG  11  -2.859  12.673   2.271
   94    HA   ARG  11           HA       ARG  11  -1.767  12.243   4.901
   95   1HB   ARG  11          2HB       ARG  11  -4.035  11.320   3.219
   96   2HB   ARG  11          1HB       ARG  11  -3.585  10.249   4.548
   97   1HG   ARG  11          2HG       ARG  11  -5.117  11.695   5.575
   98   2HG   ARG  11          1HG       ARG  11  -3.572  12.450   5.970
   99   1HD   ARG  11          2HD       ARG  11  -3.884  14.197   4.453
  100   2HD   ARG  11          1HD       ARG  11  -4.983  13.246   3.434
  101    HE   ARG  11           HE       ARG  11  -6.756  13.654   5.009
  102   1HH1  ARG  11          1HH1      ARG  11  -4.604  13.581   7.318
  103   2HH1  ARG  11          2HH1      ARG  11  -4.854  15.161   7.981
  104   1HH2  ARG  11          1HH2      ARG  11  -6.705  16.291   5.275
  105   2HH2  ARG  11          2HH2      ARG  11  -6.044  16.696   6.824
  106    HA   PRO  12           HA       PRO  12   0.970   8.895   3.928
  107   1HB   PRO  12          2HB       PRO  12   1.290   7.821   6.421
  108   2HB   PRO  12          1HB       PRO  12   2.057   9.341   5.920
  109   1HG   PRO  12          2HG       PRO  12  -0.338   8.899   7.611
  110   2HG   PRO  12          1HG       PRO  12   0.907  10.151   7.713
  111   1HD   PRO  12          2HD       PRO  12  -1.607  10.519   6.644
  112   2HD   PRO  12          1HD       PRO  12  -0.192  11.529   6.280
  113    HA   PRO  13           HA       PRO  13  -2.110   5.636   3.733
  114   1HB   PRO  13          2HB       PRO  13  -0.782   3.979   2.020
  115   2HB   PRO  13          1HB       PRO  13  -1.619   5.451   1.487
  116   1HG   PRO  13          2HG       PRO  13   1.266   4.933   1.798
  117   2HG   PRO  13          1HG       PRO  13   0.426   6.051   0.718
  118   1HD   PRO  13          2HD       PRO  13   1.745   6.704   3.114
  119   2HD   PRO  13          1HD       PRO  13   0.672   7.760   2.174
  120    H    SER  14           H        SER  14  -1.749   2.994   3.729
  121    HA   SER  14           HA       SER  14   0.466   2.124   5.453
  122   1HB   SER  14          2HB       SER  14  -0.899   1.685   7.389
  123   2HB   SER  14          1HB       SER  14  -1.226   3.346   6.903
  124    HG   SER  14           HG       SER  14  -3.138   2.718   6.039
  125    H    ALA  15           H        ALA  15   0.067   1.028   3.044
  126    HA   ALA  15           HA       ALA  15  -0.238  -1.025   1.969
  127   1HB   ALA  15          1HB       ALA  15   0.003  -1.590   4.741
  128   2HB   ALA  15          2HB       ALA  15   0.250  -2.706   3.399
  129   3HB   ALA  15          3HB       ALA  15  -1.336  -2.576   4.152
  130    H    PHE  16           H        PHE  16  -2.861  -1.352   4.397
  131    HA   PHE  16           HA       PHE  16  -4.895  -2.219   2.718
  132   1HB   PHE  16          2HB       PHE  16  -4.753  -1.819   5.269
  133   2HB   PHE  16          1HB       PHE  16  -5.325  -0.190   4.909
  134    HD1  PHE  16           1HD      PHE  16  -6.329  -3.508   5.626
  135    HD2  PHE  16           2HD      PHE  16  -7.432  -0.063   3.310
  136    HE1  PHE  16           1HE      PHE  16  -8.656  -4.353   5.477
  137    HE2  PHE  16           2HE      PHE  16  -9.758  -0.908   3.161
  138    HZ   PHE  16           HZ       PHE  16 -10.371  -3.053   4.244
  139    H    PHE  17           H        PHE  17  -4.225   1.206   3.532
  140    HA   PHE  17           HA       PHE  17  -6.247   2.401   1.930
  141   1HB   PHE  17          2HB       PHE  17  -4.510   3.314   3.692
  142   2HB   PHE  17          1HB       PHE  17  -3.513   3.612   2.268
  143    HD1  PHE  17           1HD      PHE  17  -4.474   5.007   0.369
  144    HD2  PHE  17           2HD      PHE  17  -6.327   4.740   4.235
  145    HE1  PHE  17           1HE      PHE  17  -5.774   7.064  -0.113
  146    HE2  PHE  17           2HE      PHE  17  -7.627   6.796   3.754
  147    HZ   PHE  17           HZ       PHE  17  -7.351   7.958   1.581
  148    H    LEU  18           H        LEU  18  -2.975   1.297   1.089
  149    HA   LEU  18           HA       LEU  18  -2.928   2.406  -1.578
  150   1HB   LEU  18          2HB       LEU  18  -1.452   0.000  -0.454
  151   2HB   LEU  18          1HB       LEU  18  -0.952   0.996  -1.815
  152    HG   LEU  18           HG       LEU  18  -1.130   1.867   1.090
  153   1HD1  LEU  18          1HD1      LEU  18   0.856   0.624   0.798
  154   2HD1  LEU  18          2HD1      LEU  18   1.363   2.300   0.589
  155   3HD1  LEU  18          3HD1      LEU  18   1.125   1.269  -0.822
  156   1HD2  LEU  18          1HD2      LEU  18  -0.748   3.388  -1.480
  157   2HD2  LEU  18          2HD2      LEU  18   0.082   3.935  -0.024
  158   3HD2  LEU  18          3HD2      LEU  18  -1.678   3.839  -0.052
  159    H    PHE  19           H        PHE  19  -3.930  -0.725  -0.224
  160    HA   PHE  19           HA       PHE  19  -4.362  -1.996  -2.808
  161   1HB   PHE  19          2HB       PHE  19  -3.823  -3.128  -0.633
  162   2HB   PHE  19          1HB       PHE  19  -5.423  -2.676  -0.046
  163    HD1  PHE  19           1HD      PHE  19  -7.460  -3.644  -1.056
  164    HD2  PHE  19           2HD      PHE  19  -3.533  -4.875  -2.285
  165    HE1  PHE  19           1HE      PHE  19  -8.432  -5.640  -2.162
  166    HE2  PHE  19           2HE      PHE  19  -4.505  -6.870  -3.392
  167    HZ   PHE  19           HZ       PHE  19  -6.954  -7.253  -3.329
  168    H    CYS  20           H        CYS  20  -6.613  -0.850  -0.258
  169    HA   CYS  20           HA       CYS  20  -9.035  -1.263  -1.678
  170   1HB   CYS  20          2HB       CYS  20  -8.735  -0.734   0.751
  171   2HB   CYS  20          1HB       CYS  20  -8.339   0.926   0.308
  172    HG   CYS  20           HG       CYS  20 -11.154  -0.334   0.208
  173    H    SER  21           H        SER  21  -7.126   1.762  -1.395
  174    HA   SER  21           HA       SER  21  -8.711   3.388  -3.093
  175   1HB   SER  21          2HB       SER  21  -6.750   4.801  -3.131
  176   2HB   SER  21          1HB       SER  21  -6.811   4.025  -1.551
  177    HG   SER  21           HG       SER  21  -5.133   2.798  -2.075
  178    H    GLU  22           H        GLU  22  -6.464   0.824  -3.917
  179    HA   GLU  22           HA       GLU  22  -6.427   1.674  -6.772
  180   1HB   GLU  22          2HB       GLU  22  -4.831  -0.144  -5.007
  181   2HB   GLU  22          1HB       GLU  22  -4.723  -0.306  -6.757
  182   1HG   GLU  22          2HG       GLU  22  -4.269   2.282  -5.243
  183   2HG   GLU  22          1HG       GLU  22  -2.981   1.221  -5.814
  184    H    TYR  23           H        TYR  23  -7.717  -0.823  -4.655
  185    HA   TYR  23           HA       TYR  23  -8.454  -2.559  -6.939
  186   1HB   TYR  23          2HB       TYR  23  -8.402  -2.706  -3.952
  187   2HB   TYR  23          1HB       TYR  23  -9.458  -3.814  -4.826
  188    HD1  TYR  23           1HD      TYR  23  -5.958  -2.464  -5.055
  189    HD2  TYR  23           2HD      TYR  23  -8.560  -5.853  -5.493
  190    HE1  TYR  23           1HE      TYR  23  -4.009  -3.888  -5.620
  191    HE2  TYR  23           2HE      TYR  23  -6.610  -7.278  -6.057
  192    HH   TYR  23           HH       TYR  23  -3.504  -6.469  -5.434
  193    H    ARG  24           H        ARG  24  -9.788   0.220  -5.989
  194    HA   ARG  24           HA       ARG  24 -12.562  -0.638  -5.600
  195   1HB   ARG  24          2HB       ARG  24 -11.017   1.921  -5.654
  196   2HB   ARG  24          1HB       ARG  24 -12.768   1.967  -5.856
  197   1HG   ARG  24          2HG       ARG  24 -13.146   0.908  -3.752
  198   2HG   ARG  24          1HG       ARG  24 -11.446   0.472  -3.590
  199   1HD   ARG  24          2HD       ARG  24 -11.233   2.385  -2.369
  200   2HD   ARG  24          1HD       ARG  24 -11.386   3.251  -3.911
  201    HE   ARG  24           HE       ARG  24 -13.962   2.951  -3.431
  202   1HH1  ARG  24          1HH1      ARG  24 -12.974   1.980  -0.616
  203   2HH1  ARG  24          2HH1      ARG  24 -13.321   3.398   0.315
  204   1HH2  ARG  24          1HH2      ARG  24 -13.757   5.434  -2.458
  205   2HH2  ARG  24          2HH2      ARG  24 -13.764   5.354  -0.728
  206    HA   PRO  25           HA       PRO  25 -12.968   1.438  -9.943
  207   1HB   PRO  25          2HB       PRO  25 -10.749   1.419 -11.549
  208   2HB   PRO  25          1HB       PRO  25 -11.215   2.796 -10.530
  209   1HG   PRO  25          2HG       PRO  25  -9.179   0.684 -10.041
  210   2HG   PRO  25          1HG       PRO  25  -9.111   2.420  -9.700
  211   1HD   PRO  25          2HD       PRO  25  -9.590   0.576  -7.809
  212   2HD   PRO  25          1HD       PRO  25 -10.268   2.213  -7.721
  213    H    LYS  26           H        LYS  26 -11.133  -1.372  -9.127
  214    HA   LYS  26           HA       LYS  26 -11.528  -2.868 -11.597
  215   1HB   LYS  26          2HB       LYS  26  -9.810  -3.252  -9.748
  216   2HB   LYS  26          1HB       LYS  26 -11.143  -3.846  -8.752
  217   1HG   LYS  26          2HG       LYS  26 -10.704  -4.986 -11.501
  218   2HG   LYS  26          1HG       LYS  26  -9.733  -5.562 -10.147
  219   1HD   LYS  26          2HD       LYS  26 -12.036  -5.796  -8.926
  220   2HD   LYS  26          1HD       LYS  26 -12.704  -5.767 -10.558
  221   1HE   LYS  26          2HE       LYS  26 -10.424  -7.623  -9.850
  222   2HE   LYS  26          1HE       LYS  26 -12.115  -8.092  -9.587
  223   1HZ   LYS  26          1HZ       LYS  26 -10.997  -7.077 -12.147
  224   2HZ   LYS  26          2HZ       LYS  26 -12.605  -7.558 -11.881
  225   3HZ   LYS  26          3HZ       LYS  26 -11.351  -8.703 -11.818
  226    H    ILE  27           H        ILE  27 -13.024  -2.900  -8.362
  227    HA   ILE  27           HA       ILE  27 -15.115  -4.738  -8.732
  228    HB   ILE  27           HB       ILE  27 -15.225  -2.083  -7.248
  229   1HG1  ILE  27          2HG1      ILE  27 -13.204  -3.221  -6.520
  230   2HG1  ILE  27          1HG1      ILE  27 -14.420  -3.396  -5.269
  231   1HG2  ILE  27          1HG2      ILE  27 -17.378  -3.132  -7.299
  232   2HG2  ILE  27          2HG2      ILE  27 -16.699  -3.419  -5.697
  233   3HG2  ILE  27          3HG2      ILE  27 -16.688  -4.705  -6.904
  234   1HD1  ILE  27          1HD1      ILE  27 -13.535  -5.461  -7.281
  235   2HD1  ILE  27          2HD1      ILE  27 -15.007  -5.632  -6.323
  236   3HD1  ILE  27          3HD1      ILE  27 -13.438  -5.544  -5.522
  237    H    LYS  28           H        LYS  28 -14.899  -1.357  -9.687
  238    HA   LYS  28           HA       LYS  28 -17.686  -1.034 -10.372
  239   1HB   LYS  28          2HB       LYS  28 -15.555   0.623 -11.687
  240   2HB   LYS  28          1HB       LYS  28 -17.093   1.126 -11.006
  241   1HG   LYS  28          2HG       LYS  28 -14.517   0.531  -9.578
  242   2HG   LYS  28          1HG       LYS  28 -15.408   2.035  -9.593
  243   1HD   LYS  28          2HD       LYS  28 -16.234  -0.540  -8.207
  244   2HD   LYS  28          1HD       LYS  28 -15.686   0.944  -7.437
  245   1HE   LYS  28          2HE       LYS  28 -18.127   0.868  -9.242
  246   2HE   LYS  28          1HE       LYS  28 -18.221   0.642  -7.484
  247   1HZ   LYS  28          1HZ       LYS  28 -16.906   2.723  -7.263
  248   2HZ   LYS  28          2HZ       LYS  28 -18.451   2.962  -7.927
  249   3HZ   LYS  28          3HZ       LYS  28 -17.080   2.971  -8.931
  250    H    SER  29           H        SER  29 -14.803  -1.918 -12.246
  251    HA   SER  29           HA       SER  29 -15.895  -1.769 -14.865
  252   1HB   SER  29          2HB       SER  29 -13.504  -2.118 -14.200
  253   2HB   SER  29          1HB       SER  29 -13.909  -3.768 -13.737
  254    HG   SER  29           HG       SER  29 -14.135  -4.304 -15.795
  255    H    GLU  30           H        GLU  30 -16.388  -4.147 -12.332
  256    HA   GLU  30           HA       GLU  30 -17.961  -5.841 -14.248
  257   1HB   GLU  30          2HB       GLU  30 -15.987  -6.347 -12.132
  258   2HB   GLU  30          1HB       GLU  30 -17.437  -7.334 -11.960
  259   1HG   GLU  30          2HG       GLU  30 -16.073  -7.067 -14.633
  260   2HG   GLU  30          1HG       GLU  30 -15.507  -8.243 -13.445
  261    H    HIS  31           H        HIS  31 -18.050  -4.022 -11.258
  262    HA   HIS  31           HA       HIS  31 -20.893  -4.893 -10.845
  263   1HB   HIS  31          2HB       HIS  31 -18.957  -3.829  -8.762
  264   2HB   HIS  31          1HB       HIS  31 -20.520  -4.581  -8.474
  265    HD1  HIS  31           1HD      HIS  31 -16.953  -5.363  -9.200
  266    HD2  HIS  31           2HD      HIS  31 -20.544  -7.448  -8.835
  267    HE1  HIS  31           1HE      HIS  31 -16.341  -7.812  -9.035
  268    HA   PRO  32           HA       PRO  32 -21.050  -0.433 -11.814
  269   1HB   PRO  32          2HB       PRO  32 -23.555  -0.477 -12.912
  270   2HB   PRO  32          1HB       PRO  32 -22.091  -0.878 -13.823
  271   1HG   PRO  32          2HG       PRO  32 -24.149  -2.671 -12.676
  272   2HG   PRO  32          1HG       PRO  32 -23.191  -2.845 -14.154
  273   1HD   PRO  32          2HD       PRO  32 -22.693  -4.170 -11.789
  274   2HD   PRO  32          1HD       PRO  32 -21.501  -3.902 -13.077
  275    H    GLY  33           H        GLY  33 -23.471  -2.501 -10.287
  276   1HA   GLY  33          2HA       GLY  33 -24.829  -0.279  -8.962
  277   2HA   GLY  33          1HA       GLY  33 -25.138  -1.992  -8.699
  278    H    LEU  34           H        LEU  34 -21.984  -2.095  -8.335
  279    HA   LEU  34           HA       LEU  34 -21.956  -2.269  -5.493
  280   1HB   LEU  34          2HB       LEU  34 -20.182  -2.580  -7.744
  281   2HB   LEU  34          1HB       LEU  34 -19.338  -1.694  -6.481
  282    HG   LEU  34           HG       LEU  34 -19.068  -4.174  -6.292
  283   1HD1  LEU  34          1HD1      LEU  34 -20.213  -4.111  -3.820
  284   2HD1  LEU  34          2HD1      LEU  34 -20.148  -2.388  -4.197
  285   3HD1  LEU  34          3HD1      LEU  34 -18.671  -3.353  -4.214
  286   1HD2  LEU  34          1HD2      LEU  34 -21.784  -4.536  -5.181
  287   2HD2  LEU  34          2HD2      LEU  34 -20.833  -5.615  -6.202
  288   3HD2  LEU  34          3HD2      LEU  34 -21.742  -4.289  -6.927
  289    H    SER  35           H        SER  35 -22.971  -0.198  -4.840
  290    HA   SER  35           HA       SER  35 -21.649   2.351  -5.333
  291   1HB   SER  35          2HB       SER  35 -23.303   3.119  -3.634
  292   2HB   SER  35          1HB       SER  35 -24.055   2.113  -4.869
  293    HG   SER  35           HG       SER  35 -24.385   0.589  -3.431
  294    H    ILE  36           H        ILE  36 -20.882   3.687  -3.348
  295    HA   ILE  36           HA       ILE  36 -18.593   2.565  -2.149
  296    HB   ILE  36           HB       ILE  36 -20.435   4.786  -1.199
  297   1HG1  ILE  36          2HG1      ILE  36 -19.540   5.123  -3.476
  298   2HG1  ILE  36          1HG1      ILE  36 -18.806   6.257  -2.347
  299   1HG2  ILE  36          1HG2      ILE  36 -18.321   5.625  -0.070
  300   2HG2  ILE  36          2HG2      ILE  36 -17.607   4.045  -0.396
  301   3HG2  ILE  36          3HG2      ILE  36 -19.020   4.174   0.651
  302   1HD1  ILE  36          1HD1      ILE  36 -17.026   5.377  -3.704
  303   2HD1  ILE  36          2HD1      ILE  36 -17.579   3.721  -3.460
  304   3HD1  ILE  36          3HD1      ILE  36 -16.877   4.623  -2.117
  305    H    GLY  37           H        GLY  37 -21.951   2.369  -1.132
  306   1HA   GLY  37          2HA       GLY  37 -21.556   1.578   1.583
  307   2HA   GLY  37          1HA       GLY  37 -22.970   1.169   0.609
  308    H    ASP  38           H        ASP  38 -22.578  -0.630  -1.034
  309    HA   ASP  38           HA       ASP  38 -21.600  -2.985   0.308
  310   1HB   ASP  38          2HB       ASP  38 -23.393  -2.640  -1.547
  311   2HB   ASP  38          1HB       ASP  38 -22.030  -2.703  -2.666
  312    H    THR  39           H        THR  39 -20.074  -0.674  -1.858
  313    HA   THR  39           HA       THR  39 -17.874  -2.374  -2.692
  314    HB   THR  39           HB       THR  39 -18.238   0.638  -2.552
  315    HG1  THR  39           1HG      THR  39 -18.908   0.414  -4.628
  316   1HG2  THR  39          1HG2      THR  39 -16.432   0.649  -4.307
  317   2HG2  THR  39          2HG2      THR  39 -16.154  -1.057  -3.957
  318   3HG2  THR  39          3HG2      THR  39 -15.869   0.157  -2.710
  319    H    ALA  40           H        ALA  40 -18.200   0.145  -0.187
  320    HA   ALA  40           HA       ALA  40 -15.589   0.141   0.874
  321   1HB   ALA  40          1HB       ALA  40 -16.772   0.844   2.985
  322   2HB   ALA  40          2HB       ALA  40 -18.298   0.391   2.224
  323   3HB   ALA  40          3HB       ALA  40 -17.331   1.703   1.550
  324    H    LYS  41           H        LYS  41 -18.304  -2.033   1.629
  325    HA   LYS  41           HA       LYS  41 -16.678  -3.611   3.497
  326   1HB   LYS  41          2HB       LYS  41 -18.772  -4.847   3.812
  327   2HB   LYS  41          1HB       LYS  41 -19.073  -3.117   3.880
  328   1HG   LYS  41          2HG       LYS  41 -19.629  -3.322   1.363
  329   2HG   LYS  41          1HG       LYS  41 -19.715  -5.054   1.660
  330   1HD   LYS  41          2HD       LYS  41 -21.942  -4.096   1.899
  331   2HD   LYS  41          1HD       LYS  41 -21.365  -4.622   3.479
  332   1HE   LYS  41          2HE       LYS  41 -20.477  -1.928   3.148
  333   2HE   LYS  41          1HE       LYS  41 -22.188  -1.980   2.679
  334   1HZ   LYS  41          1HZ       LYS  41 -21.030  -3.130   5.163
  335   2HZ   LYS  41          2HZ       LYS  41 -22.660  -3.239   4.699
  336   3HZ   LYS  41          3HZ       LYS  41 -21.978  -1.727   5.071
  337    H    LYS  42           H        LYS  42 -17.131  -3.620   0.085
  338    HA   LYS  42           HA       LYS  42 -16.970  -6.488  -0.375
  339   1HB   LYS  42          2HB       LYS  42 -17.639  -4.323  -1.847
  340   2HB   LYS  42          1HB       LYS  42 -15.969  -4.489  -2.355
  341   1HG   LYS  42          2HG       LYS  42 -17.289  -5.759  -3.897
  342   2HG   LYS  42          1HG       LYS  42 -16.488  -6.928  -2.845
  343   1HD   LYS  42          2HD       LYS  42 -19.101  -5.985  -1.847
  344   2HD   LYS  42          1HD       LYS  42 -19.183  -6.894  -3.356
  345   1HE   LYS  42          2HE       LYS  42 -17.344  -8.164  -1.490
  346   2HE   LYS  42          1HE       LYS  42 -18.957  -7.987  -0.784
  347   1HZ   LYS  42          1HZ       LYS  42 -18.389  -9.066  -3.493
  348   2HZ   LYS  42          2HZ       LYS  42 -19.924  -8.914  -2.783
  349   3HZ   LYS  42          3HZ       LYS  42 -18.792 -10.005  -2.139
  350    H    LEU  43           H        LEU  43 -14.637  -3.851  -0.933
  351    HA   LEU  43           HA       LEU  43 -12.330  -5.377  -1.446
  352   1HB   LEU  43          2HB       LEU  43 -12.851  -2.686  -0.174
  353   2HB   LEU  43          1HB       LEU  43 -11.205  -3.255  -0.474
  354    HG   LEU  43           HG       LEU  43 -13.216  -3.398  -2.694
  355   1HD1  LEU  43          1HD1      LEU  43 -12.892  -1.130  -3.319
  356   2HD1  LEU  43          2HD1      LEU  43 -11.578  -0.916  -2.162
  357   3HD1  LEU  43          3HD1      LEU  43 -13.239  -1.072  -1.590
  358   1HD2  LEU  43          1HD2      LEU  43 -11.323  -3.463  -4.052
  359   2HD2  LEU  43          2HD2      LEU  43 -10.714  -4.252  -2.597
  360   3HD2  LEU  43          3HD2      LEU  43 -10.342  -2.555  -2.901
  361    H    GLY  44           H        GLY  44 -13.874  -4.675   1.645
  362   1HA   GLY  44          2HA       GLY  44 -11.707  -5.266   3.394
  363   2HA   GLY  44          1HA       GLY  44 -13.413  -5.447   3.810
  364    H    GLU  45           H        GLU  45 -14.208  -7.397   1.998
  365    HA   GLU  45           HA       GLU  45 -13.365  -9.826   3.257
  366   1HB   GLU  45          2HB       GLU  45 -15.472  -9.156   1.841
  367   2HB   GLU  45          1HB       GLU  45 -14.493  -9.673   0.467
  368   1HG   GLU  45          2HG       GLU  45 -14.146 -11.872   1.552
  369   2HG   GLU  45          1HG       GLU  45 -15.158 -11.356   2.902
  370    H    MET  46           H        MET  46 -12.555  -8.475   0.039
  371    HA   MET  46           HA       MET  46 -10.770 -10.529  -0.805
  372   1HB   MET  46          2HB       MET  46 -10.843  -7.549  -1.367
  373   2HB   MET  46          1HB       MET  46  -9.931  -8.721  -2.316
  374   1HG   MET  46          2HG       MET  46 -12.883  -9.093  -1.840
  375   2HG   MET  46          1HG       MET  46 -12.303  -8.061  -3.148
  376   1HE   MET  46          1HE       MET  46 -13.464 -11.349  -4.896
  377   2HE   MET  46          2HE       MET  46 -13.740  -9.624  -4.659
  378   3HE   MET  46          3HE       MET  46 -14.116 -10.756  -3.362
  379    H    TRP  47           H        TRP  47 -10.324  -7.896   1.473
  380    HA   TRP  47           HA       TRP  47  -7.394  -7.993   1.423
  381   1HB   TRP  47          2HB       TRP  47  -8.801  -5.987   1.993
  382   2HB   TRP  47          1HB       TRP  47  -9.322  -6.823   3.456
  383    HD1  TRP  47           HD       TRP  47  -7.874  -6.464   5.515
  384    HE1  TRP  47           1HE      TRP  47  -5.483  -5.607   5.962
  385    HE3  TRP  47           3HE      TRP  47  -6.225  -5.905   0.714
  386    HZ2  TRP  47           2HZ      TRP  47  -3.175  -4.793   4.478
  387    HZ3  TRP  47           3HZ      TRP  47  -3.931  -5.089   0.260
  388    HH2  TRP  47           HH       TRP  47  -2.405  -4.532   2.134
  389    H    SER  48           H        SER  48  -9.952  -9.019   3.702
  390    HA   SER  48           HA       SER  48  -8.176 -10.328   5.559
  391   1HB   SER  48          2HB       SER  48 -10.539  -9.514   5.944
  392   2HB   SER  48          1HB       SER  48 -11.106 -10.872   4.978
  393    HG   SER  48           HG       SER  48  -9.722 -10.890   7.447
  394    H    GLU  49           H        GLU  49  -9.702 -11.327   2.555
  395    HA   GLU  49           HA       GLU  49  -9.426 -14.183   2.890
  396   1HB   GLU  49          2HB       GLU  49  -9.807 -12.232   0.631
  397   2HB   GLU  49          1HB       GLU  49  -9.485 -13.927   0.263
  398   1HG   GLU  49          2HG       GLU  49 -11.632 -13.139   2.231
  399   2HG   GLU  49          1HG       GLU  49 -11.960 -13.207   0.499
  400    H    GLN  50           H        GLN  50  -7.392 -11.694   1.333
  401    HA   GLN  50           HA       GLN  50  -5.319 -13.359   0.333
  402   1HB   GLN  50          2HB       GLN  50  -5.390 -10.532   1.422
  403   2HB   GLN  50          1HB       GLN  50  -3.967 -11.210   0.629
  404   1HG   GLN  50          2HG       GLN  50  -6.696 -11.232  -0.671
  405   2HG   GLN  50          1HG       GLN  50  -5.571  -9.888  -0.869
  406   1HE2  GLN  50          1HE2      GLN  50  -6.047 -13.344  -1.571
  407   2HE2  GLN  50          2HE2      GLN  50  -4.816 -13.449  -2.736
  408    H    SER  51           H        SER  51  -3.262 -13.925   1.241
  409    HA   SER  51           HA       SER  51  -3.309 -14.296   4.195
  410   1HB   SER  51          2HB       SER  51  -2.974 -16.174   2.516
  411   2HB   SER  51          1HB       SER  51  -1.439 -15.425   2.089
  412    HG   SER  51           HG       SER  51  -2.225 -16.742   4.422
  413    H    ALA  52           H        ALA  52  -0.384 -14.587   4.313
  414    HA   ALA  52           HA       ALA  52   0.322 -11.730   4.568
  415   1HB   ALA  52          1HB       ALA  52   1.736 -14.332   5.240
  416   2HB   ALA  52          2HB       ALA  52   0.814 -13.328   6.359
  417   3HB   ALA  52          3HB       ALA  52   2.329 -12.730   5.682
  418    H    LYS  53           H        LYS  53   0.013 -12.324   1.864
  419    HA   LYS  53           HA       LYS  53   2.848 -12.411   0.882
  420   1HB   LYS  53          2HB       LYS  53   0.297 -13.644  -0.187
  421   2HB   LYS  53          1HB       LYS  53   1.754 -13.490  -1.168
  422   1HG   LYS  53          2HG       LYS  53   3.025 -14.807   0.458
  423   2HG   LYS  53          1HG       LYS  53   1.611 -14.913   1.506
  424   1HD   LYS  53          2HD       LYS  53   1.606 -16.960   0.313
  425   2HD   LYS  53          1HD       LYS  53   0.414 -15.965  -0.523
  426   1HE   LYS  53          2HE       LYS  53   1.972 -15.434  -2.288
  427   2HE   LYS  53          1HE       LYS  53   3.318 -16.162  -1.390
  428   1HZ   LYS  53          1HZ       LYS  53   2.419 -17.724  -3.009
  429   2HZ   LYS  53          2HZ       LYS  53   0.876 -17.588  -2.309
  430   3HZ   LYS  53          3HZ       LYS  53   2.153 -18.282  -1.429
  431    H    ASP  54           H        ASP  54  -0.482 -11.390   0.030
  432    HA   ASP  54           HA       ASP  54   0.304  -9.522  -2.015
  433   1HB   ASP  54          2HB       ASP  54  -1.963 -10.641  -1.501
  434   2HB   ASP  54          1HB       ASP  54  -2.176  -9.374  -0.293
  435    H    LYS  55           H        LYS  55   0.047  -9.251   1.488
  436    HA   LYS  55           HA       LYS  55   0.111  -6.321   1.500
  437   1HB   LYS  55          2HB       LYS  55  -0.997  -7.740   3.221
  438   2HB   LYS  55          1HB       LYS  55   0.582  -8.367   3.692
  439   1HG   LYS  55          2HG       LYS  55   1.298  -6.268   4.511
  440   2HG   LYS  55          1HG       LYS  55   0.017  -5.404   3.661
  441   1HD   LYS  55          2HD       LYS  55  -1.563  -5.905   5.248
  442   2HD   LYS  55          1HD       LYS  55  -0.847  -7.474   5.615
  443   1HE   LYS  55          2HE       LYS  55   1.106  -6.132   6.663
  444   2HE   LYS  55          1HE       LYS  55  -0.011  -4.753   6.629
  445   1HZ   LYS  55          1HZ       LYS  55  -0.142  -6.141   8.691
  446   2HZ   LYS  55          2HZ       LYS  55  -0.731  -7.414   7.731
  447   3HZ   LYS  55          3HZ       LYS  55  -1.613  -5.967   7.864
  448    H    GLN  56           H        GLN  56   2.449  -8.958   1.973
  449    HA   GLN  56           HA       GLN  56   4.674  -7.739   3.050
  450   1HB   GLN  56          2HB       GLN  56   4.121  -9.866   1.081
  451   2HB   GLN  56          1HB       GLN  56   5.771  -9.245   1.039
  452   1HG   GLN  56          2HG       GLN  56   5.607  -9.491   3.661
  453   2HG   GLN  56          1HG       GLN  56   4.327 -10.640   3.269
  454   1HE2  GLN  56          1HE2      GLN  56   5.078 -12.201   1.320
  455   2HE2  GLN  56          2HE2      GLN  56   6.635 -12.851   1.502
  456    HA   PRO  57           HA       PRO  57   6.107  -5.819  -1.058
  457   1HB   PRO  57          2HB       PRO  57   4.505  -5.916  -3.255
  458   2HB   PRO  57          1HB       PRO  57   5.650  -7.208  -2.845
  459   1HG   PRO  57          2HG       PRO  57   2.717  -7.094  -2.480
  460   2HG   PRO  57          1HG       PRO  57   3.749  -8.472  -2.878
  461   1HD   PRO  57          2HD       PRO  57   2.698  -7.946  -0.378
  462   2HD   PRO  57          1HD       PRO  57   4.118  -8.965  -0.694
  463    H    TYR  58           H        TYR  58   2.570  -5.622  -0.707
  464    HA   TYR  58           HA       TYR  58   2.482  -2.796  -1.495
  465   1HB   TYR  58          2HB       TYR  58   0.735  -5.038  -1.256
  466   2HB   TYR  58          1HB       TYR  58   0.082  -3.767  -0.227
  467    HD1  TYR  58           1HD      TYR  58  -1.354  -2.225  -1.221
  468    HD2  TYR  58           2HD      TYR  58   1.661  -4.129  -3.617
  469    HE1  TYR  58           1HE      TYR  58  -2.203  -1.047  -3.231
  470    HE2  TYR  58           2HE      TYR  58   0.811  -2.949  -5.625
  471    HH   TYR  58           HH       TYR  58  -1.900  -1.814  -6.078
  472    H    GLU  59           H        GLU  59   3.482  -4.206   1.369
  473    HA   GLU  59           HA       GLU  59   2.154  -2.202   3.125
  474   1HB   GLU  59          2HB       GLU  59   3.056  -3.601   4.926
  475   2HB   GLU  59          1HB       GLU  59   2.242  -4.612   3.740
  476   1HG   GLU  59          2HG       GLU  59   4.138  -5.824   3.569
  477   2HG   GLU  59          1HG       GLU  59   4.905  -4.417   2.835
  478    H    GLN  60           H        GLN  60   5.237  -2.879   1.619
  479    HA   GLN  60           HA       GLN  60   6.813  -1.150   3.362
  480   1HB   GLN  60          2HB       GLN  60   8.549  -1.577   1.635
  481   2HB   GLN  60          1HB       GLN  60   7.765  -3.067   2.154
  482   1HG   GLN  60          2HG       GLN  60   6.519  -3.248   0.167
  483   2HG   GLN  60          1HG       GLN  60   6.751  -1.550  -0.247
  484   1HE2  GLN  60          1HE2      GLN  60   8.215  -4.747  -0.385
  485   2HE2  GLN  60          2HE2      GLN  60   9.564  -4.294  -1.310
  486    H    LYS  61           H        LYS  61   4.824  -0.712   0.529
  487    HA   LYS  61           HA       LYS  61   5.955   1.675  -0.560
  488   1HB   LYS  61          2HB       LYS  61   4.240   0.247  -1.634
  489   2HB   LYS  61          1HB       LYS  61   3.074   0.720  -0.398
  490   1HG   LYS  61          2HG       LYS  61   2.992   2.957  -1.167
  491   2HG   LYS  61          1HG       LYS  61   4.477   2.780  -2.102
  492   1HD   LYS  61          2HD       LYS  61   3.270   1.076  -3.528
  493   2HD   LYS  61          1HD       LYS  61   1.784   1.525  -2.689
  494   1HE   LYS  61          2HE       LYS  61   2.323   3.954  -3.369
  495   2HE   LYS  61          1HE       LYS  61   3.497   3.245  -4.496
  496   1HZ   LYS  61          1HZ       LYS  61   1.752   1.834  -5.385
  497   2HZ   LYS  61          2HZ       LYS  61   1.312   3.470  -5.532
  498   3HZ   LYS  61          3HZ       LYS  61   0.623   2.508  -4.312
  499    H    ALA  62           H        ALA  62   3.491   1.194   1.982
  500    HA   ALA  62           HA       ALA  62   3.091   4.037   2.450
  501   1HB   ALA  62          1HB       ALA  62   2.012   3.001   4.581
  502   2HB   ALA  62          2HB       ALA  62   2.379   1.450   3.829
  503   3HB   ALA  62          3HB       ALA  62   1.309   2.594   3.017
  504    H    ALA  63           H        ALA  63   5.613   1.874   3.310
  505    HA   ALA  63           HA       ALA  63   6.307   3.209   5.842
  506   1HB   ALA  63          1HB       ALA  63   8.091   1.554   5.856
  507   2HB   ALA  63          2HB       ALA  63   7.830   1.206   4.147
  508   3HB   ALA  63          3HB       ALA  63   6.606   0.759   5.334
  509    H    LYS  64           H        LYS  64   6.561   4.172   2.667
  510    HA   LYS  64           HA       LYS  64   9.279   5.371   2.969
  511   1HB   LYS  64          2HB       LYS  64   7.396   4.741   0.689
  512   2HB   LYS  64          1HB       LYS  64   8.776   5.812   0.466
  513   1HG   LYS  64          2HG       LYS  64   8.958   2.992   1.559
  514   2HG   LYS  64          1HG       LYS  64   9.281   3.430  -0.119
  515   1HD   LYS  64          2HD       LYS  64  10.983   5.112   0.815
  516   2HD   LYS  64          1HD       LYS  64  10.815   4.258   2.349
  517   1HE   LYS  64          2HE       LYS  64  11.395   2.724  -0.185
  518   2HE   LYS  64          1HE       LYS  64  12.709   3.475   0.744
  519   1HZ   LYS  64          1HZ       LYS  64  11.929   2.364   2.724
  520   2HZ   LYS  64          2HZ       LYS  64  12.223   1.209   1.514
  521   3HZ   LYS  64          3HZ       LYS  64  10.630   1.677   1.878
  522    H    LEU  65           H        LEU  65   5.863   6.068   2.528
  523    HA   LEU  65           HA       LEU  65   6.246   8.958   2.174
  524   1HB   LEU  65          2HB       LEU  65   3.985   6.991   2.365
  525   2HB   LEU  65          1HB       LEU  65   3.637   8.711   2.549
  526    HG   LEU  65           HG       LEU  65   5.093   8.958   0.379
  527   1HD1  LEU  65          1HD1      LEU  65   4.358   6.031   0.442
  528   2HD1  LEU  65          2HD1      LEU  65   5.924   6.762   0.088
  529   3HD1  LEU  65          3HD1      LEU  65   4.611   6.878  -1.084
  530   1HD2  LEU  65          1HD2      LEU  65   2.749   9.536   0.411
  531   2HD2  LEU  65          2HD2      LEU  65   2.277   7.837   0.466
  532   3HD2  LEU  65          3HD2      LEU  65   3.012   8.501  -0.993
  533    H    LYS  66           H        LYS  66   6.568   6.995   4.852
  534    HA   LYS  66           HA       LYS  66   5.164   8.753   6.773
  535   1HB   LYS  66          2HB       LYS  66   5.215   6.229   6.884
  536   2HB   LYS  66          1HB       LYS  66   6.947   6.334   7.202
  537   1HG   LYS  66          2HG       LYS  66   6.535   7.639   9.225
  538   2HG   LYS  66          1HG       LYS  66   4.803   7.657   8.890
  539   1HD   LYS  66          2HD       LYS  66   4.664   5.252   9.156
  540   2HD   LYS  66          1HD       LYS  66   6.417   5.126   9.305
  541   1HE   LYS  66          2HE       LYS  66   6.098   6.800  11.313
  542   2HE   LYS  66          1HE       LYS  66   4.429   6.194  11.292
  543   1HZ   LYS  66          1HZ       LYS  66   5.274   3.936  11.334
  544   2HZ   LYS  66          2HZ       LYS  66   5.858   4.798  12.676
  545   3HZ   LYS  66          3HZ       LYS  66   6.873   4.502  11.346
  546    H    GLU  67           H        GLU  67   8.397   8.065   5.558
  547    HA   GLU  67           HA       GLU  67   9.729   9.641   7.665
  548   1HB   GLU  67          2HB       GLU  67  10.439   7.903   5.348
  549   2HB   GLU  67          1HB       GLU  67  11.634   9.106   5.837
  550   1HG   GLU  67          2HG       GLU  67  11.788   8.215   8.036
  551   2HG   GLU  67          1HG       GLU  67  10.322   7.255   7.832
  552    H    LYS  68           H        LYS  68   8.170  10.297   4.680
  553    HA   LYS  68           HA       LYS  68   9.797  12.753   4.193
  554   1HB   LYS  68          2HB       LYS  68   8.043  10.915   2.619
  555   2HB   LYS  68          1HB       LYS  68   8.094  12.605   2.116
  556   1HG   LYS  68          2HG       LYS  68  10.612  11.015   2.627
  557   2HG   LYS  68          1HG       LYS  68   9.828  11.041   1.048
  558   1HD   LYS  68          2HD       LYS  68  10.077  13.438   0.885
  559   2HD   LYS  68          1HD       LYS  68  10.652  13.539   2.551
  560   1HE   LYS  68          2HE       LYS  68  12.692  12.367   2.002
  561   2HE   LYS  68          1HE       LYS  68  12.088  11.974   0.379
  562   1HZ   LYS  68          1HZ       LYS  68  13.503  13.942   0.323
  563   2HZ   LYS  68          2HZ       LYS  68  12.501  14.715   1.457
  564   3HZ   LYS  68          3HZ       LYS  68  11.906  14.339  -0.089
  565    H    TYR  69           H        TYR  69   6.543  11.584   4.934
  566    HA   TYR  69           HA       TYR  69   5.236  14.179   4.772
  567   1HB   TYR  69          2HB       TYR  69   4.078  12.017   4.495
  568   2HB   TYR  69          1HB       TYR  69   4.508  11.562   6.142
  569    HD1  TYR  69           1HD      TYR  69   3.632  12.974   8.072
  570    HD2  TYR  69           2HD      TYR  69   2.159  13.349   4.054
  571    HE1  TYR  69           1HE      TYR  69   1.603  14.116   8.923
  572    HE2  TYR  69           2HE      TYR  69   0.131  14.494   4.906
  573    HH   TYR  69           HH       TYR  69  -1.095  14.362   7.509
  574    H    GLU  70           H        GLU  70   6.169  12.089   7.526
  575    HA   GLU  70           HA       GLU  70   5.595  14.056   9.558
  576   1HB   GLU  70          2HB       GLU  70   7.209  11.506   9.404
  577   2HB   GLU  70          1HB       GLU  70   7.071  12.423  10.904
  578   1HG   GLU  70          2HG       GLU  70   4.598  12.276  10.746
  579   2HG   GLU  70          1HG       GLU  70   4.765  11.305   9.282
  580    H    LYS  71           H        LYS  71   8.227  13.811   7.344
  581    HA   LYS  71           HA       LYS  71  10.032  15.372   9.144
  582   1HB   LYS  71          2HB       LYS  71  10.580  13.162   7.834
  583   2HB   LYS  71          1HB       LYS  71  10.748  14.242   6.449
  584   1HG   LYS  71          2HG       LYS  71  12.108  15.117   8.939
  585   2HG   LYS  71          1HG       LYS  71  12.785  13.690   8.155
  586   1HD   LYS  71          2HD       LYS  71  12.125  16.144   6.540
  587   2HD   LYS  71          1HD       LYS  71  13.651  16.033   7.417
  588   1HE   LYS  71          2HE       LYS  71  13.671  13.608   6.221
  589   2HE   LYS  71          1HE       LYS  71  12.745  14.525   5.018
  590   1HZ   LYS  71          1HZ       LYS  71  15.202  14.694   4.743
  591   2HZ   LYS  71          2HZ       LYS  71  15.271  15.492   6.242
  592   3HZ   LYS  71          3HZ       LYS  71  14.426  16.189   4.942
  593    H    ASP  72           H        ASP  72   8.329  15.510   6.036
  594    HA   ASP  72           HA       ASP  72   9.557  18.114   5.347
  595   1HB   ASP  72          2HB       ASP  72   9.090  16.217   3.738
  596   2HB   ASP  72          1HB       ASP  72   7.369  16.539   3.963
  597    H    ILE  73           H        ILE  73   6.405  16.829   6.393
  598    HA   ILE  73           HA       ILE  73   4.762  19.072   5.957
  599    HB   ILE  73           HB       ILE  73   4.163  16.747   6.766
  600   1HG1  ILE  73          2HG1      ILE  73   2.382  17.708   8.432
  601   2HG1  ILE  73          1HG1      ILE  73   3.064  19.270   7.972
  602   1HG2  ILE  73          1HG2      ILE  73   4.782  17.871   9.511
  603   2HG2  ILE  73          2HG2      ILE  73   5.858  16.767   8.653
  604   3HG2  ILE  73          3HG2      ILE  73   4.240  16.239   9.116
  605   1HD1  ILE  73          1HD1      ILE  73   1.105  18.532   6.552
  606   2HD1  ILE  73          2HD1      ILE  73   2.114  17.210   5.965
  607   3HD1  ILE  73          3HD1      ILE  73   2.575  18.880   5.642
  608    H    ALA  74           H        ALA  74   6.983  18.467   8.677
  609    HA   ALA  74           HA       ALA  74   6.259  20.609  10.384
  610   1HB   ALA  74          1HB       ALA  74   8.861  20.424  10.867
  611   2HB   ALA  74          2HB       ALA  74   8.744  19.039   9.780
  612   3HB   ALA  74          3HB       ALA  74   7.786  19.082  11.260
  613    H    ALA  75           H        ALA  75   8.813  20.589   7.864
  614    HA   ALA  75           HA       ALA  75   9.457  23.378   8.057
  615   1HB   ALA  75          1HB       ALA  75   9.660  21.409   5.750
  616   2HB   ALA  75          2HB       ALA  75  10.877  21.657   7.004
  617   3HB   ALA  75          3HB       ALA  75  10.525  22.944   5.851
  618    H    TYR  76           H        TYR  76   7.012  21.596   6.240
  619    HA   TYR  76           HA       TYR  76   6.208  23.646   4.413
  620   1HB   TYR  76          2HB       TYR  76   5.604  21.222   4.341
  621   2HB   TYR  76          1HB       TYR  76   4.566  21.465   5.748
  622    HD1  TYR  76           1HD      TYR  76   2.363  22.294   5.502
  623    HD2  TYR  76           2HD      TYR  76   5.137  22.598   2.236
  624    HE1  TYR  76           1HE      TYR  76   0.529  23.054   4.016
  625    HE2  TYR  76           2HE      TYR  76   3.302  23.359   0.749
  626    HH   TYR  76           HH       TYR  76   0.440  24.508   1.805
  627    H    ARG  77           H        ARG  77   5.106  22.868   7.716
  628    HA   ARG  77           HA       ARG  77   3.175  25.080   7.752
  629   1HB   ARG  77          2HB       ARG  77   4.208  23.065   9.765
  630   2HB   ARG  77          1HB       ARG  77   2.983  24.269  10.166
  631   1HG   ARG  77          2HG       ARG  77   1.412  23.350   8.672
  632   2HG   ARG  77          1HG       ARG  77   2.648  22.469   7.773
  633   1HD   ARG  77          2HD       ARG  77   1.757  20.734   9.053
  634   2HD   ARG  77          1HD       ARG  77   3.023  21.305  10.157
  635    HE   ARG  77           HE       ARG  77   1.123  22.878  11.037
  636   1HH1  ARG  77          1HH2      ARG  77  -0.822  21.354   9.176
  637   2HH1  ARG  77          2HH2      ARG  77  -1.585  20.301  10.320
  638   1HH2  ARG  77          1HH1      ARG  77   0.805  20.810  12.781
  639   2HH2  ARG  77          2HH1      ARG  77  -0.663  19.992  12.362
  640    H    ALA  78           H        ALA  78   5.585  24.432  10.301
  641    HA   ALA  78           HA       ALA  78   7.093  26.882   9.842
  642   1HB   ALA  78          1HB       ALA  78   4.879  26.732  11.901
  643   2HB   ALA  78          2HB       ALA  78   5.088  27.931  10.625
  644   3HB   ALA  78          3HB       ALA  78   6.181  27.916  12.009
  645    H    LYS  79           H        LYS  79   7.848  24.180  10.280
  646    HA   LYS  79           HA       LYS  79   9.145  24.354  12.980
  647   1HB   LYS  79          2HB       LYS  79   7.517  22.289  11.645
  648   2HB   LYS  79          1HB       LYS  79   8.978  21.677  12.419
  649   1HG   LYS  79          2HG       LYS  79   8.335  22.660  14.540
  650   2HG   LYS  79          1HG       LYS  79   6.957  23.470  13.793
  651   1HD   LYS  79          2HD       LYS  79   7.261  20.468  13.691
  652   2HD   LYS  79          1HD       LYS  79   6.486  21.269  15.059
  653   1HE   LYS  79          2HE       LYS  79   4.984  22.445  13.343
  654   2HE   LYS  79          1HE       LYS  79   5.606  21.276  12.161
  655   1HZ   LYS  79          1HZ       LYS  79   4.335  20.617  14.766
  656   2HZ   LYS  79          2HZ       LYS  79   4.993  19.486  13.684
  657   3HZ   LYS  79          3HZ       LYS  79   3.633  20.401  13.238
  Start of MODEL    6
    1   1H    MET   1          1HT       MET   1  -7.265  11.266  -5.039
    2   2H    MET   1          2HT       MET   1  -6.964  11.423  -3.374
    3   3H    MET   1          3HT       MET   1  -5.755  11.819  -4.500
    4    HA   MET   1           HA       MET   1  -7.135  13.657  -5.336
    5   1HB   MET   1          2HB       MET   1  -9.196  12.298  -4.585
    6   2HB   MET   1          1HB       MET   1  -8.909  12.978  -2.982
    7   1HG   MET   1          2HG       MET   1  -9.008  15.263  -3.964
    8   2HG   MET   1          1HG       MET   1  -9.384  14.550  -5.532
    9   1HE   MET   1          1HE       MET   1 -11.745  15.875  -5.769
   10   2HE   MET   1          2HE       MET   1 -10.996  16.693  -4.401
   11   3HE   MET   1          3HE       MET   1 -12.688  16.209  -4.310
   12    H    LYS   2           H        LYS   2  -5.769  15.264  -4.678
   13    HA   LYS   2           HA       LYS   2  -4.931  15.418  -1.825
   14   1HB   LYS   2          2HB       LYS   2  -3.935  16.352  -4.493
   15   2HB   LYS   2          1HB       LYS   2  -3.418  17.232  -3.054
   16   1HG   LYS   2          2HG       LYS   2  -1.770  15.613  -3.126
   17   2HG   LYS   2          1HG       LYS   2  -2.969  14.771  -2.144
   18   1HD   LYS   2          2HD       LYS   2  -2.376  13.197  -3.812
   19   2HD   LYS   2          1HD       LYS   2  -3.900  13.877  -4.381
   20   1HE   LYS   2          2HE       LYS   2  -2.038  15.621  -5.456
   21   2HE   LYS   2          1HE       LYS   2  -1.223  14.047  -5.567
   22   1HZ   LYS   2          1HZ       LYS   2  -4.008  14.613  -6.440
   23   2HZ   LYS   2          2HZ       LYS   2  -3.225  13.107  -6.534
   24   3HZ   LYS   2          3HZ       LYS   2  -2.680  14.412  -7.475
   25    H    LYS   3           H        LYS   3  -7.017  16.325  -1.091
   26    HA   LYS   3           HA       LYS   3  -8.237  18.681  -2.114
   27   1HB   LYS   3          2HB       LYS   3  -8.941  16.907  -0.316
   28   2HB   LYS   3          1HB       LYS   3  -8.141  17.997   0.816
   29   1HG   LYS   3          2HG       LYS   3  -9.562  19.860   0.008
   30   2HG   LYS   3          1HG       LYS   3 -10.385  18.743  -1.081
   31   1HD   LYS   3          2HD       LYS   3 -11.805  18.783   0.791
   32   2HD   LYS   3          1HD       LYS   3 -10.827  17.342   1.071
   33   1HE   LYS   3          2HE       LYS   3  -9.537  18.382   2.740
   34   2HE   LYS   3          1HE       LYS   3  -9.941  20.012   2.165
   35   1HZ   LYS   3          1HZ       LYS   3 -11.876  18.069   3.314
   36   2HZ   LYS   3          2HZ       LYS   3 -12.239  19.641   2.779
   37   3HZ   LYS   3          3HZ       LYS   3 -11.241  19.410   4.135
   38    H    LYS   4           H        LYS   4  -5.854  18.321   0.535
   39    HA   LYS   4           HA       LYS   4  -5.584  21.076   1.181
   40   1HB   LYS   4          2HB       LYS   4  -3.891  18.601   1.426
   41   2HB   LYS   4          1HB       LYS   4  -3.225  20.161   1.910
   42   1HG   LYS   4          2HG       LYS   4  -5.412  20.449   3.265
   43   2HG   LYS   4          1HG       LYS   4  -5.616  18.712   3.041
   44   1HD   LYS   4          2HD       LYS   4  -3.695  18.193   4.278
   45   2HD   LYS   4          1HD       LYS   4  -3.001  19.799   4.054
   46   1HE   LYS   4          2HE       LYS   4  -3.770  19.780   6.318
   47   2HE   LYS   4          1HE       LYS   4  -5.035  20.651   5.429
   48   1HZ   LYS   4          1HZ       LYS   4  -5.986  18.887   6.798
   49   2HZ   LYS   4          2HZ       LYS   4  -5.027  17.733   6.001
   50   3HZ   LYS   4          3HZ       LYS   4  -6.233  18.575   5.149
   51    H    ASP   5           H        ASP   5  -2.982  19.255  -0.449
   52    HA   ASP   5           HA       ASP   5  -2.846  21.072  -2.730
   53   1HB   ASP   5          2HB       ASP   5  -1.362  21.546  -0.212
   54   2HB   ASP   5          1HB       ASP   5  -0.383  21.648  -1.676
   55    HA   PRO   6           HA       PRO   6  -0.504  17.644  -4.228
   56   1HB   PRO   6          2HB       PRO   6   1.060  18.812  -6.145
   57   2HB   PRO   6          1HB       PRO   6  -0.682  18.541  -6.353
   58   1HG   PRO   6          2HG       PRO   6   0.775  21.034  -5.641
   59   2HG   PRO   6          1HG       PRO   6  -0.644  20.811  -6.676
   60   1HD   PRO   6          2HD       PRO   6  -0.770  21.729  -4.105
   61   2HD   PRO   6          1HD       PRO   6  -2.098  20.870  -4.915
   62    H    ASN   7           H        ASN   7   1.401  20.580  -3.555
   63    HA   ASN   7           HA       ASN   7   3.902  19.121  -3.180
   64   1HB   ASN   7          2HB       ASN   7   4.703  21.372  -2.501
   65   2HB   ASN   7          1HB       ASN   7   3.782  21.437  -4.001
   66   1HD2  ASN   7          1HD2      ASN   7   1.804  22.629  -4.005
   67   2HD2  ASN   7          2HD2      ASN   7   1.230  23.476  -2.650
   68    H    ALA   8           H        ALA   8   1.157  19.509  -1.188
   69    HA   ALA   8           HA       ALA   8   2.701  19.453   1.347
   70   1HB   ALA   8          1HB       ALA   8   0.433  19.682   2.324
   71   2HB   ALA   8          2HB       ALA   8  -0.272  19.484   0.719
   72   3HB   ALA   8          3HB       ALA   8   0.711  20.903   1.082
   73    HA   PRO   9           HA       PRO   9   2.388  15.004   1.272
   74   1HB   PRO   9          2HB       PRO   9   3.119  14.483   3.854
   75   2HB   PRO   9          1HB       PRO   9   4.282  14.935   2.594
   76   1HG   PRO   9          2HG       PRO   9   3.075  16.602   4.741
   77   2HG   PRO   9          1HG       PRO   9   4.726  16.603   4.104
   78   1HD   PRO   9          2HD       PRO   9   2.843  18.459   3.421
   79   2HD   PRO   9          1HD       PRO   9   4.188  17.986   2.359
   80    H    LYS  10           H        LYS  10   0.170  14.556   1.107
   81    HA   LYS  10           HA       LYS  10  -1.842  15.210   3.010
   82   1HB   LYS  10          2HB       LYS  10  -3.163  13.542   1.751
   83   2HB   LYS  10          1HB       LYS  10  -2.215  14.541   0.651
   84   1HG   LYS  10          2HG       LYS  10  -0.484  12.452   1.245
   85   2HG   LYS  10          1HG       LYS  10  -2.053  11.655   1.163
   86   1HD   LYS  10          2HD       LYS  10  -1.735  11.631  -1.081
   87   2HD   LYS  10          1HD       LYS  10  -2.143  13.345  -1.021
   88   1HE   LYS  10          2HE       LYS  10   0.245  13.922  -0.778
   89   2HE   LYS  10          1HE       LYS  10   0.667  12.198  -0.812
   90   1HZ   LYS  10          1HZ       LYS  10  -0.578  12.076  -2.957
   91   2HZ   LYS  10          2HZ       LYS  10   0.846  12.999  -3.027
   92   3HZ   LYS  10          3HZ       LYS  10  -0.667  13.769  -2.948
   93    H    ARG  11           H        ARG  11  -3.116  12.726   3.587
   94    HA   ARG  11           HA       ARG  11  -1.750  11.942   5.998
   95   1HB   ARG  11          2HB       ARG  11  -4.271  11.548   4.658
   96   2HB   ARG  11          1HB       ARG  11  -3.666   9.977   5.182
   97   1HG   ARG  11          2HG       ARG  11  -4.931  10.839   7.017
   98   2HG   ARG  11          1HG       ARG  11  -3.236  11.052   7.458
   99   1HD   ARG  11          2HD       ARG  11  -3.533  13.415   6.313
  100   2HD   ARG  11          1HD       ARG  11  -5.252  13.129   6.653
  101    HE   ARG  11           HE       ARG  11  -3.130  12.994   8.766
  102   1HH1  ARG  11          1HH1      ARG  11  -4.932  15.449   8.278
  103   2HH1  ARG  11          2HH1      ARG  11  -6.121  15.220   9.517
  104   1HH2  ARG  11          1HH2      ARG  11  -5.261  11.911  10.098
  105   2HH2  ARG  11          2HH2      ARG  11  -6.306  13.217  10.549
  106    HA   PRO  12           HA       PRO  12   0.894   8.877   4.169
  107   1HB   PRO  12          2HB       PRO  12   1.634   7.527   6.429
  108   2HB   PRO  12          1HB       PRO  12   2.286   9.121   6.001
  109   1HG   PRO  12          2HG       PRO  12   0.197   8.402   7.981
  110   2HG   PRO  12          1HG       PRO  12   1.432   9.665   8.045
  111   1HD   PRO  12          2HD       PRO  12  -1.214  10.106   7.443
  112   2HD   PRO  12          1HD       PRO  12   0.120  11.176   6.964
  113    HA   PRO  13           HA       PRO  13  -2.060   5.528   4.002
  114   1HB   PRO  13          2HB       PRO  13  -0.801   3.980   2.137
  115   2HB   PRO  13          1HB       PRO  13  -1.683   5.463   1.725
  116   1HG   PRO  13          2HG       PRO  13   1.224   4.985   1.884
  117   2HG   PRO  13          1HG       PRO  13   0.316   6.117   0.876
  118   1HD   PRO  13          2HD       PRO  13   1.728   6.745   3.209
  119   2HD   PRO  13          1HD       PRO  13   0.546   7.784   2.386
  120    H    SER  14           H        SER  14  -1.739   2.920   3.946
  121    HA   SER  14           HA       SER  14   0.609   1.997   5.467
  122   1HB   SER  14          2HB       SER  14  -0.919   3.130   7.103
  123   2HB   SER  14          1HB       SER  14  -2.175   1.973   6.672
  124    HG   SER  14           HG       SER  14  -0.610   1.577   8.550
  125    H    ALA  15           H        ALA  15   0.055   0.985   3.053
  126    HA   ALA  15           HA       ALA  15  -0.300  -1.031   1.928
  127   1HB   ALA  15          1HB       ALA  15   0.253  -2.769   3.264
  128   2HB   ALA  15          2HB       ALA  15  -1.285  -2.653   4.117
  129   3HB   ALA  15          3HB       ALA  15   0.097  -1.698   4.655
  130    H    PHE  16           H        PHE  16  -2.780  -1.398   4.487
  131    HA   PHE  16           HA       PHE  16  -4.911  -2.228   2.899
  132   1HB   PHE  16          2HB       PHE  16  -4.667  -1.934   5.428
  133   2HB   PHE  16          1HB       PHE  16  -5.159  -0.261   5.177
  134    HD1  PHE  16           1HD      PHE  16  -7.375   0.196   3.993
  135    HD2  PHE  16           2HD      PHE  16  -6.273  -3.681   5.481
  136    HE1  PHE  16           1HE      PHE  16  -9.750  -0.512   3.908
  137    HE2  PHE  16           2HE      PHE  16  -8.649  -4.388   5.395
  138    HZ   PHE  16           HZ       PHE  16 -10.387  -2.804   4.608
  139    H    PHE  17           H        PHE  17  -4.142   1.172   3.743
  140    HA   PHE  17           HA       PHE  17  -6.249   2.409   2.265
  141   1HB   PHE  17          2HB       PHE  17  -4.559   3.344   3.992
  142   2HB   PHE  17          1HB       PHE  17  -3.458   3.523   2.625
  143    HD1  PHE  17           1HD      PHE  17  -6.269   4.928   4.387
  144    HD2  PHE  17           2HD      PHE  17  -4.246   4.871   0.599
  145    HE1  PHE  17           1HE      PHE  17  -7.401   7.041   3.751
  146    HE2  PHE  17           2HE      PHE  17  -5.379   6.984  -0.037
  147    HZ   PHE  17           HZ       PHE  17  -6.955   8.069   1.539
  148    H    LEU  18           H        LEU  18  -2.942   1.476   1.332
  149    HA   LEU  18           HA       LEU  18  -2.935   2.548  -1.312
  150   1HB   LEU  18          2HB       LEU  18  -1.583   0.045  -0.238
  151   2HB   LEU  18          1HB       LEU  18  -1.070   0.984  -1.637
  152    HG   LEU  18           HG       LEU  18  -1.094   1.924   1.254
  153   1HD1  LEU  18          1HD1      LEU  18   1.402   2.163   0.692
  154   2HD1  LEU  18          2HD1      LEU  18   1.063   1.149  -0.710
  155   3HD1  LEU  18          3HD1      LEU  18   0.788   0.525   0.916
  156   1HD2  LEU  18          1HD2      LEU  18   0.191   3.895   0.105
  157   2HD2  LEU  18          2HD2      LEU  18  -1.570   3.885   0.025
  158   3HD2  LEU  18          3HD2      LEU  18  -0.622   3.354  -1.364
  159    H    PHE  19           H        PHE  19  -3.818  -0.710  -0.111
  160    HA   PHE  19           HA       PHE  19  -4.486  -1.837  -2.662
  161   1HB   PHE  19          2HB       PHE  19  -4.047  -3.032  -0.488
  162   2HB   PHE  19          1HB       PHE  19  -5.621  -2.475   0.080
  163    HD1  PHE  19           1HD      PHE  19  -7.696  -3.334  -0.895
  164    HD2  PHE  19           2HD      PHE  19  -3.861  -4.710  -2.252
  165    HE1  PHE  19           1HE      PHE  19  -8.789  -5.233  -2.058
  166    HE2  PHE  19           2HE      PHE  19  -4.953  -6.609  -3.414
  167    HZ   PHE  19           HZ       PHE  19  -7.418  -6.871  -3.317
  168    H    CYS  20           H        CYS  20  -6.571  -0.415  -0.117
  169    HA   CYS  20           HA       CYS  20  -9.011  -0.587  -1.665
  170   1HB   CYS  20          2HB       CYS  20  -8.580  -0.310   0.883
  171   2HB   CYS  20          1HB       CYS  20  -8.421   1.409   0.523
  172    HG   CYS  20           HG       CYS  20 -11.037  -0.235   0.025
  173    H    SER  21           H        SER  21  -6.335   1.625  -1.692
  174    HA   SER  21           HA       SER  21  -7.764   3.930  -2.743
  175   1HB   SER  21          2HB       SER  21  -5.734   4.271  -1.542
  176   2HB   SER  21          1HB       SER  21  -4.872   3.085  -2.517
  177    HG   SER  21           HG       SER  21  -5.926   5.579  -3.383
  178    H    GLU  22           H        GLU  22  -6.507   1.016  -4.227
  179    HA   GLU  22           HA       GLU  22  -6.911   2.303  -6.910
  180   1HB   GLU  22          2HB       GLU  22  -5.024   0.902  -7.680
  181   2HB   GLU  22          1HB       GLU  22  -4.543   1.970  -6.363
  182   1HG   GLU  22          2HG       GLU  22  -4.810   0.122  -4.755
  183   2HG   GLU  22          1HG       GLU  22  -5.317  -0.947  -6.062
  184    H    TYR  23           H        TYR  23  -7.749  -0.394  -4.873
  185    HA   TYR  23           HA       TYR  23  -8.491  -2.147  -7.126
  186   1HB   TYR  23          2HB       TYR  23  -8.370  -2.250  -4.150
  187   2HB   TYR  23          1HB       TYR  23  -9.479  -3.360  -4.950
  188    HD1  TYR  23           1HD      TYR  23  -5.929  -2.292  -4.723
  189    HD2  TYR  23           2HD      TYR  23  -8.683  -5.215  -6.244
  190    HE1  TYR  23           1HE      TYR  23  -4.030  -3.763  -5.331
  191    HE2  TYR  23           2HE      TYR  23  -6.783  -6.688  -6.851
  192    HH   TYR  23           HH       TYR  23  -4.180  -6.187  -7.426
  193    H    ARG  24           H        ARG  24  -9.934   0.593  -6.253
  194    HA   ARG  24           HA       ARG  24 -12.667  -0.385  -5.828
  195   1HB   ARG  24          2HB       ARG  24 -11.499   2.379  -6.215
  196   2HB   ARG  24          1HB       ARG  24 -13.162   2.024  -5.743
  197   1HG   ARG  24          2HG       ARG  24 -12.319   0.813  -3.747
  198   2HG   ARG  24          1HG       ARG  24 -10.674   1.261  -4.197
  199   1HD   ARG  24          2HD       ARG  24 -11.155   3.022  -2.754
  200   2HD   ARG  24          1HD       ARG  24 -11.802   3.714  -4.255
  201    HE   ARG  24           HE       ARG  24 -14.017   2.597  -3.538
  202   1HH1  ARG  24          1HH2      ARG  24 -13.588   5.162  -2.108
  203   2HH1  ARG  24          2HH2      ARG  24 -13.775   4.706  -0.447
  204   1HH2  ARG  24          1HH1      ARG  24 -13.387   1.314  -1.058
  205   2HH2  ARG  24          2HH1      ARG  24 -13.662   2.528   0.147
  206    HA   PRO  25           HA       PRO  25 -13.223   1.643 -10.173
  207   1HB   PRO  25          2HB       PRO  25 -11.019   1.750 -11.797
  208   2HB   PRO  25          1HB       PRO  25 -11.553   3.098 -10.773
  209   1HG   PRO  25          2HG       PRO  25  -9.397   1.103 -10.305
  210   2HG   PRO  25          1HG       PRO  25  -9.424   2.841  -9.961
  211   1HD   PRO  25          2HD       PRO  25  -9.784   0.967  -8.070
  212   2HD   PRO  25          1HD       PRO  25 -10.548   2.564  -7.971
  213    H    LYS  26           H        LYS  26 -11.212  -1.057  -9.386
  214    HA   LYS  26           HA       LYS  26 -11.552  -2.561 -11.859
  215   1HB   LYS  26          2HB       LYS  26  -9.791  -2.845 -10.026
  216   2HB   LYS  26          1HB       LYS  26 -11.072  -3.543  -9.030
  217   1HG   LYS  26          2HG       LYS  26 -10.597  -4.613 -11.798
  218   2HG   LYS  26          1HG       LYS  26  -9.553  -5.131 -10.475
  219   1HD   LYS  26          2HD       LYS  26 -11.778  -5.578  -9.198
  220   2HD   LYS  26          1HD       LYS  26 -12.520  -5.533 -10.799
  221   1HE   LYS  26          2HE       LYS  26 -10.733  -7.241 -11.512
  222   2HE   LYS  26          1HE       LYS  26 -10.411  -7.451  -9.779
  223   1HZ   LYS  26          1HZ       LYS  26 -13.089  -7.652 -11.052
  224   2HZ   LYS  26          2HZ       LYS  26 -12.738  -7.899  -9.408
  225   3HZ   LYS  26          3HZ       LYS  26 -12.142  -8.977 -10.579
  226    H    ILE  27           H        ILE  27 -12.992  -2.727  -8.604
  227    HA   ILE  27           HA       ILE  27 -14.973  -4.681  -8.970
  228    HB   ILE  27           HB       ILE  27 -15.179  -2.062  -7.433
  229   1HG1  ILE  27          2HG1      ILE  27 -13.108  -3.164  -6.777
  230   2HG1  ILE  27          1HG1      ILE  27 -14.290  -3.377  -5.499
  231   1HG2  ILE  27          1HG2      ILE  27 -16.555  -4.736  -7.122
  232   2HG2  ILE  27          2HG2      ILE  27 -17.300  -3.176  -7.475
  233   3HG2  ILE  27          3HG2      ILE  27 -16.587  -3.474  -5.890
  234   1HD1  ILE  27          1HD1      ILE  27 -14.845  -5.619  -6.498
  235   2HD1  ILE  27          2HD1      ILE  27 -13.214  -5.493  -5.840
  236   3HD1  ILE  27          3HD1      ILE  27 -13.471  -5.405  -7.582
  237    H    LYS  28           H        LYS  28 -14.948  -1.309  -9.956
  238    HA   LYS  28           HA       LYS  28 -17.777  -1.118 -10.537
  239   1HB   LYS  28          2HB       LYS  28 -15.746   0.621 -11.913
  240   2HB   LYS  28          1HB       LYS  28 -17.301   1.059 -11.227
  241   1HG   LYS  28          2HG       LYS  28 -14.690   0.601  -9.815
  242   2HG   LYS  28          1HG       LYS  28 -15.656   2.058  -9.830
  243   1HD   LYS  28          2HD       LYS  28 -16.339  -0.547  -8.424
  244   2HD   LYS  28          1HD       LYS  28 -15.866   0.968  -7.666
  245   1HE   LYS  28          2HE       LYS  28 -18.306   0.766  -9.461
  246   2HE   LYS  28          1HE       LYS  28 -18.385   0.519  -7.705
  247   1HZ   LYS  28          1HZ       LYS  28 -17.369   2.919  -9.130
  248   2HZ   LYS  28          2HZ       LYS  28 -17.185   2.663  -7.460
  249   3HZ   LYS  28          3HZ       LYS  28 -18.737   2.830  -8.132
  250    H    SER  29           H        SER  29 -14.921  -1.903 -12.491
  251    HA   SER  29           HA       SER  29 -16.089  -1.822 -15.079
  252   1HB   SER  29          2HB       SER  29 -13.662  -2.122 -14.383
  253   2HB   SER  29          1HB       SER  29 -14.042  -3.810 -14.057
  254    HG   SER  29           HG       SER  29 -13.489  -2.636 -16.385
  255    H    GLU  30           H        GLU  30 -16.443  -4.180 -12.505
  256    HA   GLU  30           HA       GLU  30 -18.034  -5.931 -14.353
  257   1HB   GLU  30          2HB       GLU  30 -15.945  -6.379 -12.342
  258   2HB   GLU  30          1HB       GLU  30 -17.354  -7.405 -12.091
  259   1HG   GLU  30          2HG       GLU  30 -16.075  -7.105 -14.811
  260   2HG   GLU  30          1HG       GLU  30 -15.522  -8.315 -13.652
  261    H    HIS  31           H        HIS  31 -18.056  -4.105 -11.366
  262    HA   HIS  31           HA       HIS  31 -20.844  -5.082 -10.830
  263   1HB   HIS  31          2HB       HIS  31 -18.870  -3.946  -8.824
  264   2HB   HIS  31          1HB       HIS  31 -20.383  -4.772  -8.481
  265    HD1  HIS  31           1HD      HIS  31 -16.812  -5.378  -9.315
  266    HD2  HIS  31           2HD      HIS  31 -20.290  -7.638  -8.895
  267    HE1  HIS  31           1HE      HIS  31 -16.083  -7.797  -9.203
  268    HA   PRO  32           HA       PRO  32 -21.205  -0.631 -11.778
  269   1HB   PRO  32          2HB       PRO  32 -23.757  -0.760 -12.756
  270   2HB   PRO  32          1HB       PRO  32 -22.323  -1.107 -13.736
  271   1HG   PRO  32          2HG       PRO  32 -24.261  -2.974 -12.504
  272   2HG   PRO  32          1HG       PRO  32 -23.362  -3.112 -14.023
  273   1HD   PRO  32          2HD       PRO  32 -22.715  -4.420 -11.683
  274   2HD   PRO  32          1HD       PRO  32 -21.593  -4.113 -13.025
  275    H    GLY  33           H        GLY  33 -23.559  -2.756 -10.193
  276   1HA   GLY  33          2HA       GLY  33 -24.884  -0.579  -8.777
  277   2HA   GLY  33          1HA       GLY  33 -25.134  -2.300  -8.504
  278    H    LEU  34           H        LEU  34 -21.937  -2.243  -8.311
  279    HA   LEU  34           HA       LEU  34 -21.794  -2.414  -5.453
  280   1HB   LEU  34          2HB       LEU  34 -20.117  -2.739  -7.784
  281   2HB   LEU  34          1HB       LEU  34 -19.229  -1.845  -6.559
  282    HG   LEU  34           HG       LEU  34 -18.932  -4.313  -6.360
  283   1HD1  LEU  34          1HD1      LEU  34 -20.002  -2.550  -4.236
  284   2HD1  LEU  34          2HD1      LEU  34 -18.490  -3.455  -4.301
  285   3HD1  LEU  34          3HD1      LEU  34 -19.988  -4.273  -3.862
  286   1HD2  LEU  34          1HD2      LEU  34 -21.623  -4.688  -5.185
  287   2HD2  LEU  34          2HD2      LEU  34 -20.676  -5.777  -6.198
  288   3HD2  LEU  34          3HD2      LEU  34 -21.608  -4.474  -6.935
  289    H    SER  35           H        SER  35 -22.840  -0.306  -4.865
  290    HA   SER  35           HA       SER  35 -21.505   2.220  -5.453
  291   1HB   SER  35          2HB       SER  35 -23.897   2.084  -4.982
  292   2HB   SER  35          1HB       SER  35 -23.580   1.342  -3.416
  293    HG   SER  35           HG       SER  35 -23.977   3.608  -3.280
  294    H    ILE  36           H        ILE  36 -20.793   3.608  -3.433
  295    HA   ILE  36           HA       ILE  36 -18.459   2.569  -2.264
  296    HB   ILE  36           HB       ILE  36 -20.405   4.671  -1.255
  297   1HG1  ILE  36          2HG1      ILE  36 -19.504   5.105  -3.514
  298   2HG1  ILE  36          1HG1      ILE  36 -18.839   6.246  -2.349
  299   1HG2  ILE  36          1HG2      ILE  36 -17.561   4.022  -0.435
  300   2HG2  ILE  36          2HG2      ILE  36 -18.990   4.085   0.596
  301   3HG2  ILE  36          3HG2      ILE  36 -18.330   5.571  -0.086
  302   1HD1  ILE  36          1HD1      ILE  36 -17.479   3.804  -3.516
  303   2HD1  ILE  36          2HD1      ILE  36 -16.838   4.694  -2.135
  304   3HD1  ILE  36          3HD1      ILE  36 -17.001   5.491  -3.700
  305    H    GLY  37           H        GLY  37 -21.797   2.296  -1.132
  306   1HA   GLY  37          2HA       GLY  37 -21.295   1.393   1.520
  307   2HA   GLY  37          1HA       GLY  37 -22.735   0.993   0.580
  308    H    ASP  38           H        ASP  38 -22.432  -0.769  -1.076
  309    HA   ASP  38           HA       ASP  38 -21.376  -3.149   0.117
  310   1HB   ASP  38          2HB       ASP  38 -22.548  -2.267  -2.470
  311   2HB   ASP  38          1HB       ASP  38 -21.632  -3.774  -2.509
  312    H    THR  39           H        THR  39 -19.863  -0.713  -1.906
  313    HA   THR  39           HA       THR  39 -17.671  -2.365  -2.861
  314    HB   THR  39           HB       THR  39 -18.096   0.628  -2.572
  315    HG1  THR  39           1HG      THR  39 -18.633   0.479  -4.709
  316   1HG2  THR  39          1HG2      THR  39 -15.716   0.314  -2.670
  317   2HG2  THR  39          2HG2      THR  39 -16.233   0.755  -4.298
  318   3HG2  THR  39          3HG2      THR  39 -15.870  -0.927  -3.914
  319    H    ALA  40           H        ALA  40 -17.999  -0.013  -0.191
  320    HA   ALA  40           HA       ALA  40 -15.377  -0.075   0.847
  321   1HB   ALA  40          1HB       ALA  40 -18.055   0.056   2.273
  322   2HB   ALA  40          2HB       ALA  40 -17.168   1.426   1.603
  323   3HB   ALA  40          3HB       ALA  40 -16.515   0.542   2.983
  324    H    LYS  41           H        LYS  41 -18.124  -2.190   1.722
  325    HA   LYS  41           HA       LYS  41 -16.516  -3.896   3.433
  326   1HB   LYS  41          2HB       LYS  41 -18.595  -5.197   3.561
  327   2HB   LYS  41          1HB       LYS  41 -18.940  -3.480   3.716
  328   1HG   LYS  41          2HG       LYS  41 -19.328  -3.562   1.145
  329   2HG   LYS  41          1HG       LYS  41 -19.446  -5.304   1.375
  330   1HD   LYS  41          2HD       LYS  41 -21.679  -4.434   1.565
  331   2HD   LYS  41          1HD       LYS  41 -21.151  -4.849   3.193
  332   1HE   LYS  41          2HE       LYS  41 -20.291  -2.191   2.847
  333   2HE   LYS  41          1HE       LYS  41 -21.919  -2.244   2.139
  334   1HZ   LYS  41          1HZ       LYS  41 -22.713  -3.382   4.115
  335   2HZ   LYS  41          2HZ       LYS  41 -22.019  -1.891   4.537
  336   3HZ   LYS  41          3HZ       LYS  41 -21.162  -3.334   4.800
  337    H    LYS  42           H        LYS  42 -16.889  -3.732   0.007
  338    HA   LYS  42           HA       LYS  42 -16.581  -6.557  -0.607
  339   1HB   LYS  42          2HB       LYS  42 -17.269  -4.292  -1.958
  340   2HB   LYS  42          1HB       LYS  42 -15.604  -4.471  -2.487
  341   1HG   LYS  42          2HG       LYS  42 -16.911  -5.677  -4.070
  342   2HG   LYS  42          1HG       LYS  42 -16.195  -6.904  -3.022
  343   1HD   LYS  42          2HD       LYS  42 -18.793  -5.853  -2.086
  344   2HD   LYS  42          1HD       LYS  42 -18.865  -6.747  -3.604
  345   1HE   LYS  42          2HE       LYS  42 -17.141  -8.139  -1.737
  346   2HE   LYS  42          1HE       LYS  42 -18.726  -7.846  -1.006
  347   1HZ   LYS  42          1HZ       LYS  42 -18.287  -8.949  -3.730
  348   2HZ   LYS  42          2HZ       LYS  42 -19.792  -8.705  -2.979
  349   3HZ   LYS  42          3HZ       LYS  42 -18.715  -9.870  -2.371
  350    H    LEU  43           H        LEU  43 -14.344  -3.793  -0.910
  351    HA   LEU  43           HA       LEU  43 -11.970  -5.201  -1.477
  352   1HB   LEU  43          2HB       LEU  43 -12.571  -2.629   0.003
  353   2HB   LEU  43          1HB       LEU  43 -10.925  -3.116  -0.412
  354    HG   LEU  43           HG       LEU  43 -13.058  -3.097  -2.532
  355   1HD1  LEU  43          1HD1      LEU  43 -12.676  -0.843  -1.092
  356   2HD1  LEU  43          2HD1      LEU  43 -13.003  -0.825  -2.825
  357   3HD1  LEU  43          3HD1      LEU  43 -11.347  -0.683  -2.238
  358   1HD2  LEU  43          1HD2      LEU  43 -11.187  -2.872  -4.006
  359   2HD2  LEU  43          2HD2      LEU  43 -10.711  -4.079  -2.811
  360   3HD2  LEU  43          3HD2      LEU  43 -10.109  -2.426  -2.684
  361    H    GLY  44           H        GLY  44 -13.488  -4.567   1.681
  362   1HA   GLY  44          2HA       GLY  44 -11.310  -5.350   3.338
  363   2HA   GLY  44          1HA       GLY  44 -13.008  -5.422   3.808
  364    H    GLU  45           H        GLU  45 -14.062  -7.290   2.117
  365    HA   GLU  45           HA       GLU  45 -13.423  -9.785   3.261
  366   1HB   GLU  45          2HB       GLU  45 -15.363  -8.881   1.704
  367   2HB   GLU  45          1HB       GLU  45 -14.370  -9.575   0.423
  368   1HG   GLU  45          2HG       GLU  45 -15.856 -11.319   1.085
  369   2HG   GLU  45          1HG       GLU  45 -14.306 -11.713   1.829
  370    H    MET  46           H        MET  46 -12.061  -8.250   0.365
  371    HA   MET  46           HA       MET  46 -10.551 -10.545  -0.553
  372   1HB   MET  46          2HB       MET  46 -10.274  -7.546  -0.942
  373   2HB   MET  46          1HB       MET  46  -9.349  -8.740  -1.853
  374   1HG   MET  46          2HG       MET  46 -12.372  -8.763  -1.740
  375   2HG   MET  46          1HG       MET  46 -11.472  -7.900  -2.987
  376   1HE   MET  46          1HE       MET  46 -13.295  -9.399  -4.094
  377   2HE   MET  46          2HE       MET  46 -13.573 -10.822  -3.093
  378   3HE   MET  46          3HE       MET  46 -12.950 -11.014  -4.729
  379    H    TRP  47           H        TRP  47  -9.613  -7.611   1.258
  380    HA   TRP  47           HA       TRP  47  -6.900  -8.144   1.739
  381   1HB   TRP  47          2HB       TRP  47  -8.469  -6.159   2.356
  382   2HB   TRP  47          1HB       TRP  47  -8.748  -7.044   3.855
  383    HD1  TRP  47           HD       TRP  47  -7.105  -6.544   5.719
  384    HE1  TRP  47           1HE      TRP  47  -4.719  -5.580   5.872
  385    HE3  TRP  47           3HE      TRP  47  -6.040  -6.029   0.751
  386    HZ2  TRP  47           2HZ      TRP  47  -2.633  -4.706   4.119
  387    HZ3  TRP  47           3HZ      TRP  47  -3.849  -5.129   0.021
  388    HH2  TRP  47           HH       TRP  47  -2.147  -4.467   1.697
  389    H    SER  48           H        SER  48  -9.563  -8.958   4.018
  390    HA   SER  48           HA       SER  48  -7.982 -10.532   5.796
  391   1HB   SER  48          2HB       SER  48 -10.301  -9.556   6.121
  392   2HB   SER  48          1HB       SER  48 -10.920 -10.866   5.119
  393    HG   SER  48           HG       SER  48  -9.892 -10.898   7.703
  394    H    GLU  49           H        GLU  49  -9.711 -11.389   2.824
  395    HA   GLU  49           HA       GLU  49  -9.628 -14.225   3.010
  396   1HB   GLU  49          2HB       GLU  49  -9.891 -12.131   0.936
  397   2HB   GLU  49          1HB       GLU  49  -9.332 -13.692   0.336
  398   1HG   GLU  49          2HG       GLU  49 -11.255 -14.817   1.271
  399   2HG   GLU  49          1HG       GLU  49 -11.767 -13.350   2.105
  400    H    GLN  50           H        GLN  50  -7.193 -11.937   1.752
  401    HA   GLN  50           HA       GLN  50  -5.311 -13.928   0.853
  402   1HB   GLN  50          2HB       GLN  50  -5.133 -11.018   1.672
  403   2HB   GLN  50          1HB       GLN  50  -3.744 -11.904   1.042
  404   1HG   GLN  50          2HG       GLN  50  -6.393 -11.748  -0.414
  405   2HG   GLN  50          1HG       GLN  50  -5.076 -10.609  -0.694
  406   1HE2  GLN  50          1HE2      GLN  50  -6.221 -13.830  -1.376
  407   2HE2  GLN  50          2HE2      GLN  50  -4.887 -14.328  -2.301
  408    H    SER  51           H        SER  51  -3.100 -14.192   1.921
  409    HA   SER  51           HA       SER  51  -3.204 -14.015   4.903
  410   1HB   SER  51          2HB       SER  51  -2.503 -16.477   3.273
  411   2HB   SER  51          1HB       SER  51  -2.534 -16.372   5.031
  412    HG   SER  51           HG       SER  51  -4.488 -17.135   3.648
  413    H    ALA  52           H        ALA  52  -1.529 -12.442   4.901
  414    HA   ALA  52           HA       ALA  52   0.683 -11.621   4.783
  415   1HB   ALA  52          1HB       ALA  52   2.290 -13.241   5.492
  416   2HB   ALA  52          2HB       ALA  52   1.393 -14.561   4.744
  417   3HB   ALA  52          3HB       ALA  52   0.755 -13.768   6.184
  418    H    LYS  53           H        LYS  53  -0.513 -11.727   2.240
  419    HA   LYS  53           HA       LYS  53   1.862 -12.329   0.530
  420   1HB   LYS  53          2HB       LYS  53   0.081 -14.183   0.611
  421   2HB   LYS  53          1HB       LYS  53  -0.975 -13.053  -0.237
  422   1HG   LYS  53          2HG       LYS  53   1.757 -13.404  -1.360
  423   2HG   LYS  53          1HG       LYS  53   0.653 -14.770  -1.534
  424   1HD   LYS  53          2HD       LYS  53  -0.902 -13.515  -2.780
  425   2HD   LYS  53          1HD       LYS  53  -0.235 -11.976  -2.231
  426   1HE   LYS  53          2HE       LYS  53   1.868 -12.481  -3.500
  427   2HE   LYS  53          1HE       LYS  53   1.083 -13.938  -4.142
  428   1HZ   LYS  53          1HZ       LYS  53  -0.723 -12.558  -4.968
  429   2HZ   LYS  53          2HZ       LYS  53   0.758 -12.052  -5.629
  430   3HZ   LYS  53          3HZ       LYS  53   0.038 -11.163  -4.372
  431    H    ASP  54           H        ASP  54  -1.513 -11.176   0.137
  432    HA   ASP  54           HA       ASP  54  -0.937  -9.263  -1.904
  433   1HB   ASP  54          2HB       ASP  54  -3.153 -10.299  -1.128
  434   2HB   ASP  54          1HB       ASP  54  -3.146  -9.085   0.153
  435    H    LYS  55           H        LYS  55  -0.371  -9.113   1.528
  436    HA   LYS  55           HA       LYS  55  -0.215  -6.142   1.487
  437   1HB   LYS  55          2HB       LYS  55  -1.423  -7.343   3.287
  438   2HB   LYS  55          1HB       LYS  55   0.065  -8.189   3.712
  439   1HG   LYS  55          2HG       LYS  55   1.112  -6.203   4.465
  440   2HG   LYS  55          1HG       LYS  55  -0.069  -5.174   3.654
  441   1HD   LYS  55          2HD       LYS  55  -1.828  -6.190   5.190
  442   2HD   LYS  55          1HD       LYS  55  -0.497  -6.898   6.104
  443   1HE   LYS  55          2HE       LYS  55  -0.605  -3.932   5.498
  444   2HE   LYS  55          1HE       LYS  55  -1.343  -4.627   6.955
  445   1HZ   LYS  55          1HZ       LYS  55   0.958  -4.009   7.377
  446   2HZ   LYS  55          2HZ       LYS  55   1.480  -4.992   6.093
  447   3HZ   LYS  55          3HZ       LYS  55   0.771  -5.692   7.470
  448    H    GLN  56           H        GLN  56   1.832  -9.018   1.828
  449    HA   GLN  56           HA       GLN  56   4.212  -8.096   2.865
  450   1HB   GLN  56          2HB       GLN  56   3.371 -10.067   0.837
  451   2HB   GLN  56          1HB       GLN  56   5.076  -9.623   0.761
  452   1HG   GLN  56          2HG       GLN  56   4.997  -9.968   3.363
  453   2HG   GLN  56          1HG       GLN  56   3.556 -10.921   3.007
  454   1HE2  GLN  56          1HE2      GLN  56   6.856 -11.234   3.400
  455   2HE2  GLN  56          2HE2      GLN  56   7.115 -12.624   2.461
  456    HA   PRO  57           HA       PRO  57   5.766  -6.128  -1.160
  457   1HB   PRO  57          2HB       PRO  57   4.195  -6.061  -3.381
  458   2HB   PRO  57          1HB       PRO  57   5.244  -7.440  -2.995
  459   1HG   PRO  57          2HG       PRO  57   2.320  -7.135  -2.659
  460   2HG   PRO  57          1HG       PRO  57   3.258  -8.569  -3.096
  461   1HD   PRO  57          2HD       PRO  57   2.216  -8.060  -0.589
  462   2HD   PRO  57          1HD       PRO  57   3.572  -9.157  -0.929
  463    H    TYR  58           H        TYR  58   2.260  -5.751  -0.781
  464    HA   TYR  58           HA       TYR  58   2.280  -2.916  -1.527
  465   1HB   TYR  58          2HB       TYR  58   0.379  -5.067  -0.827
  466   2HB   TYR  58          1HB       TYR  58  -0.161  -3.443  -0.421
  467    HD1  TYR  58           1HD      TYR  58  -0.404  -1.717  -2.185
  468    HD2  TYR  58           2HD      TYR  58   0.661  -5.772  -3.121
  469    HE1  TYR  58           1HE      TYR  58  -0.956  -1.312  -4.569
  470    HE2  TYR  58           2HE      TYR  58   0.109  -5.368  -5.504
  471    HH   TYR  58           HH       TYR  58  -1.677  -3.359  -6.660
  472    H    GLU  59           H        GLU  59   3.417  -4.320   1.249
  473    HA   GLU  59           HA       GLU  59   2.188  -2.310   3.084
  474   1HB   GLU  59          2HB       GLU  59   3.154  -3.741   4.842
  475   2HB   GLU  59          1HB       GLU  59   2.204  -4.703   3.721
  476   1HG   GLU  59          2HG       GLU  59   4.010  -6.009   3.371
  477   2HG   GLU  59          1HG       GLU  59   4.828  -4.624   2.650
  478    H    GLN  60           H        GLN  60   5.161  -3.036   1.406
  479    HA   GLN  60           HA       GLN  60   6.882  -1.420   3.127
  480   1HB   GLN  60          2HB       GLN  60   8.520  -1.864   1.304
  481   2HB   GLN  60          1HB       GLN  60   7.713  -3.337   1.835
  482   1HG   GLN  60          2HG       GLN  60   6.397  -3.462  -0.092
  483   2HG   GLN  60          1HG       GLN  60   6.600  -1.754  -0.470
  484   1HE2  GLN  60          1HE2      GLN  60   7.949  -4.932  -0.934
  485   2HE2  GLN  60          2HE2      GLN  60   9.290  -4.450  -1.858
  486    H    LYS  61           H        LYS  61   4.802  -0.850   0.378
  487    HA   LYS  61           HA       LYS  61   5.971   1.549  -0.660
  488   1HB   LYS  61          2HB       LYS  61   4.231   0.186  -1.769
  489   2HB   LYS  61          1HB       LYS  61   3.081   0.615  -0.503
  490   1HG   LYS  61          2HG       LYS  61   3.039   2.898  -1.168
  491   2HG   LYS  61          1HG       LYS  61   4.476   2.712  -2.175
  492   1HD   LYS  61          2HD       LYS  61   3.107   1.022  -3.540
  493   2HD   LYS  61          1HD       LYS  61   1.696   1.642  -2.682
  494   1HE   LYS  61          2HE       LYS  61   3.596   3.549  -4.045
  495   2HE   LYS  61          1HE       LYS  61   2.301   2.752  -4.959
  496   1HZ   LYS  61          1HZ       LYS  61   1.959   4.306  -2.448
  497   2HZ   LYS  61          2HZ       LYS  61   0.717   3.496  -3.279
  498   3HZ   LYS  61          3HZ       LYS  61   1.503   4.820  -3.998
  499    H    ALA  62           H        ALA  62   3.571   1.003   1.920
  500    HA   ALA  62           HA       ALA  62   3.100   3.809   2.464
  501   1HB   ALA  62          1HB       ALA  62   2.399   2.499   4.739
  502   2HB   ALA  62          2HB       ALA  62   2.458   1.146   3.609
  503   3HB   ALA  62          3HB       ALA  62   1.395   2.517   3.290
  504    H    ALA  63           H        ALA  63   5.803   1.810   3.119
  505    HA   ALA  63           HA       ALA  63   6.563   3.174   5.625
  506   1HB   ALA  63          1HB       ALA  63   6.920   0.725   5.082
  507   2HB   ALA  63          2HB       ALA  63   8.379   1.578   5.590
  508   3HB   ALA  63          3HB       ALA  63   8.108   1.235   3.881
  509    H    LYS  64           H        LYS  64   6.595   4.156   2.461
  510    HA   LYS  64           HA       LYS  64   9.293   5.431   2.598
  511   1HB   LYS  64          2HB       LYS  64   7.291   4.772   0.427
  512   2HB   LYS  64          1HB       LYS  64   8.641   5.866   0.133
  513   1HG   LYS  64          2HG       LYS  64   8.937   3.047   1.206
  514   2HG   LYS  64          1HG       LYS  64   9.135   3.485  -0.491
  515   1HD   LYS  64          2HD       LYS  64  10.874   5.189   0.299
  516   2HD   LYS  64          1HD       LYS  64  10.813   4.374   1.862
  517   1HE   LYS  64          2HE       LYS  64  12.590   3.273   0.739
  518   2HE   LYS  64          1HE       LYS  64  11.210   2.192   0.462
  519   1HZ   LYS  64          1HZ       LYS  64  10.772   3.296  -1.622
  520   2HZ   LYS  64          2HZ       LYS  64  12.379   2.744  -1.613
  521   3HZ   LYS  64          3HZ       LYS  64  12.042   4.389  -1.359
  522    H    LEU  65           H        LEU  65   5.837   6.021   2.336
  523    HA   LEU  65           HA       LEU  65   6.071   8.911   1.957
  524   1HB   LEU  65          2HB       LEU  65   3.956   6.832   2.300
  525   2HB   LEU  65          1HB       LEU  65   3.509   8.500   2.657
  526    HG   LEU  65           HG       LEU  65   4.664   9.037   0.375
  527   1HD1  LEU  65          1HD1      LEU  65   4.294   7.049  -1.207
  528   2HD1  LEU  65          2HD1      LEU  65   4.214   6.050   0.244
  529   3HD1  LEU  65          3HD1      LEU  65   5.687   6.946  -0.130
  530   1HD2  LEU  65          1HD2      LEU  65   2.515   8.491  -0.813
  531   2HD2  LEU  65          2HD2      LEU  65   2.275   9.315   0.728
  532   3HD2  LEU  65          3HD2      LEU  65   2.016   7.575   0.608
  533    H    LYS  66           H        LYS  66   6.704   7.025   4.648
  534    HA   LYS  66           HA       LYS  66   5.426   8.819   6.627
  535   1HB   LYS  66          2HB       LYS  66   5.601   6.240   6.699
  536   2HB   LYS  66          1HB       LYS  66   7.296   6.494   7.113
  537   1HG   LYS  66          2HG       LYS  66   6.699   7.749   9.088
  538   2HG   LYS  66          1HG       LYS  66   4.996   7.754   8.628
  539   1HD   LYS  66          2HD       LYS  66   4.927   5.297   8.837
  540   2HD   LYS  66          1HD       LYS  66   6.630   5.288   9.296
  541   1HE   LYS  66          2HE       LYS  66   6.191   6.431  11.348
  542   2HE   LYS  66          1HE       LYS  66   4.549   6.868  10.834
  543   1HZ   LYS  66          1HZ       LYS  66   3.998   4.519  10.709
  544   2HZ   LYS  66          2HZ       LYS  66   4.517   4.920  12.276
  545   3HZ   LYS  66          3HZ       LYS  66   5.560   4.099  11.217
  546    H    GLU  67           H        GLU  67   8.518   8.247   5.083
  547    HA   GLU  67           HA       GLU  67  10.071   9.725   7.101
  548   1HB   GLU  67          2HB       GLU  67  10.506   8.201   4.573
  549   2HB   GLU  67          1HB       GLU  67  11.725   9.402   5.001
  550   1HG   GLU  67          2HG       GLU  67  11.902   8.361   7.262
  551   2HG   GLU  67          1HG       GLU  67  10.769   7.112   6.744
  552    H    LYS  68           H        LYS  68   8.141  10.530   4.364
  553    HA   LYS  68           HA       LYS  68   9.605  13.091   3.899
  554   1HB   LYS  68          2HB       LYS  68   8.472  11.186   2.226
  555   2HB   LYS  68          1HB       LYS  68   7.238  12.445   2.267
  556   1HG   LYS  68          2HG       LYS  68   9.238  14.079   1.876
  557   2HG   LYS  68          1HG       LYS  68  10.092  12.635   1.331
  558   1HD   LYS  68          2HD       LYS  68   9.130  13.446  -0.653
  559   2HD   LYS  68          1HD       LYS  68   7.975  12.220  -0.131
  560   1HE   LYS  68          2HE       LYS  68   6.593  14.081  -0.614
  561   2HE   LYS  68          1HE       LYS  68   6.829  14.217   1.140
  562   1HZ   LYS  68          1HZ       LYS  68   7.327  16.310  -0.012
  563   2HZ   LYS  68          2HZ       LYS  68   8.532  15.524  -0.917
  564   3HZ   LYS  68          3HZ       LYS  68   8.694  15.679   0.768
  565    H    TYR  69           H        TYR  69   6.559  11.714   5.007
  566    HA   TYR  69           HA       TYR  69   5.101  14.230   5.166
  567   1HB   TYR  69          2HB       TYR  69   4.011  12.042   4.926
  568   2HB   TYR  69          1HB       TYR  69   4.732  11.490   6.436
  569    HD1  TYR  69           1HD      TYR  69   1.983  13.278   4.917
  570    HD2  TYR  69           2HD      TYR  69   4.106  12.678   8.600
  571    HE1  TYR  69           1HE      TYR  69   0.061  14.211   6.176
  572    HE2  TYR  69           2HE      TYR  69   2.185  13.611   9.860
  573    HH   TYR  69           HH       TYR  69   0.083  15.429   8.925
  574    H    GLU  70           H        GLU  70   6.489  12.058   7.653
  575    HA   GLU  70           HA       GLU  70   6.105  13.863   9.856
  576   1HB   GLU  70          2HB       GLU  70   7.870  11.468   9.322
  577   2HB   GLU  70          1HB       GLU  70   7.843  12.276  10.890
  578   1HG   GLU  70          2HG       GLU  70   5.344  11.960  10.927
  579   2HG   GLU  70          1HG       GLU  70   5.502  10.977   9.471
  580    H    LYS  71           H        LYS  71   8.414  13.958   7.295
  581    HA   LYS  71           HA       LYS  71  10.356  15.518   8.941
  582   1HB   LYS  71          2HB       LYS  71  10.767  13.483   7.262
  583   2HB   LYS  71          1HB       LYS  71  10.778  14.785   6.072
  584   1HG   LYS  71          2HG       LYS  71  12.671  15.783   6.975
  585   2HG   LYS  71          1HG       LYS  71  12.385  15.112   8.581
  586   1HD   LYS  71          2HD       LYS  71  13.032  13.323   6.240
  587   2HD   LYS  71          1HD       LYS  71  14.310  14.091   7.182
  588   1HE   LYS  71          2HE       LYS  71  13.789  12.886   9.122
  589   2HE   LYS  71          1HE       LYS  71  12.120  12.582   8.599
  590   1HZ   LYS  71          1HZ       LYS  71  12.981  11.223   6.785
  591   2HZ   LYS  71          2HZ       LYS  71  13.480  10.607   8.288
  592   3HZ   LYS  71          3HZ       LYS  71  14.569  11.482   7.321
  593    H    ASP  72           H        ASP  72   8.155  15.773   6.184
  594    HA   ASP  72           HA       ASP  72   9.051  18.529   5.572
  595   1HB   ASP  72          2HB       ASP  72   8.457  16.676   3.904
  596   2HB   ASP  72          1HB       ASP  72   6.776  16.937   4.370
  597    H    ILE  73           H        ILE  73   6.312  16.857   7.073
  598    HA   ILE  73           HA       ILE  73   4.496  19.084   7.096
  599    HB   ILE  73           HB       ILE  73   4.065  16.588   7.444
  600   1HG1  ILE  73          2HG1      ILE  73   2.362  17.209   9.406
  601   2HG1  ILE  73          1HG1      ILE  73   2.883  18.844   8.997
  602   1HG2  ILE  73          1HG2      ILE  73   5.849  16.440   9.294
  603   2HG2  ILE  73          2HG2      ILE  73   4.317  15.622   9.598
  604   3HG2  ILE  73          3HG2      ILE  73   4.648  17.183  10.348
  605   1HD1  ILE  73          1HD1      ILE  73   0.924  18.247   7.655
  606   2HD1  ILE  73          2HD1      ILE  73   1.744  16.798   7.069
  607   3HD1  ILE  73          3HD1      ILE  73   2.338  18.394   6.611
  608    H    ALA  74           H        ALA  74   7.307  18.378   9.022
  609    HA   ALA  74           HA       ALA  74   6.627  19.843  11.409
  610   1HB   ALA  74          1HB       ALA  74   9.246  19.153  10.038
  611   2HB   ALA  74          2HB       ALA  74   8.458  18.250  11.332
  612   3HB   ALA  74          3HB       ALA  74   9.146  19.841  11.659
  613    H    ALA  75           H        ALA  75   8.437  20.765   8.466
  614    HA   ALA  75           HA       ALA  75   8.636  23.574   9.304
  615   1HB   ALA  75          1HB       ALA  75   9.887  23.776   7.238
  616   2HB   ALA  75          2HB       ALA  75   9.223  22.258   6.635
  617   3HB   ALA  75          3HB       ALA  75  10.347  22.250   7.994
  618    H    TYR  76           H        TYR  76   6.449  21.606   7.415
  619    HA   TYR  76           HA       TYR  76   5.303  23.610   5.718
  620   1HB   TYR  76          2HB       TYR  76   5.054  21.091   5.620
  621   2HB   TYR  76          1HB       TYR  76   3.950  21.208   6.991
  622    HD1  TYR  76           1HD      TYR  76   4.470  22.121   3.440
  623    HD2  TYR  76           2HD      TYR  76   1.718  22.093   6.738
  624    HE1  TYR  76           1HE      TYR  76   2.613  22.689   1.897
  625    HE2  TYR  76           2HE      TYR  76  -0.139  22.661   5.194
  626    HH   TYR  76           HH       TYR  76  -0.343  22.210   2.323
  627    H    ARG  77           H        ARG  77   4.610  22.640   9.064
  628    HA   ARG  77           HA       ARG  77   2.407  24.628   9.254
  629   1HB   ARG  77          2HB       ARG  77   3.508  22.396  10.969
  630   2HB   ARG  77          1HB       ARG  77   2.304  23.526  11.591
  631   1HG   ARG  77          2HG       ARG  77   0.898  22.961   9.540
  632   2HG   ARG  77          1HG       ARG  77   2.028  21.638   9.244
  633   1HD   ARG  77          2HD       ARG  77   1.403  20.496  11.208
  634   2HD   ARG  77          1HD       ARG  77   0.717  21.957  11.947
  635    HE   ARG  77           HE       ARG  77  -0.935  21.814   9.901
  636   1HH1  ARG  77          1HH1      ARG  77  -1.703  20.268  12.367
  637   2HH1  ARG  77          2HH1      ARG  77  -2.029  18.697  11.715
  638   1HH2  ARG  77          1HH2      ARG  77  -0.410  19.315   8.712
  639   2HH2  ARG  77          2HH2      ARG  77  -1.297  18.158   9.645
  640    H    ALA  78           H        ALA  78   5.535  25.145   9.204
  641    HA   ALA  78           HA       ALA  78   5.884  26.495  11.821
  642   1HB   ALA  78          1HB       ALA  78   7.685  25.130  10.857
  643   2HB   ALA  78          2HB       ALA  78   8.187  26.819  10.924
  644   3HB   ALA  78          3HB       ALA  78   7.668  26.115   9.393
  645    H    LYS  79           H        LYS  79   3.827  27.664  10.303
  646    HA   LYS  79           HA       LYS  79   4.690  29.829   8.611
  647   1HB   LYS  79          2HB       LYS  79   2.355  30.607   8.985
  648   2HB   LYS  79          1HB       LYS  79   2.422  28.884   8.618
  649   1HG   LYS  79          2HG       LYS  79   2.676  28.896  11.363
  650   2HG   LYS  79          1HG       LYS  79   1.574  30.244  11.089
  651   1HD   LYS  79          2HD       LYS  79   1.153  27.563   9.765
  652   2HD   LYS  79          1HD       LYS  79   0.510  27.916  11.370
  653   1HE   LYS  79          2HE       LYS  79  -0.521  30.032  10.295
  654   2HE   LYS  79          1HE       LYS  79  -0.188  29.240   8.742
  655   1HZ   LYS  79          1HZ       LYS  79  -1.323  27.253   9.588
  656   2HZ   LYS  79          2HZ       LYS  79  -2.365  28.593   9.527
  657   3HZ   LYS  79          3HZ       LYS  79  -1.719  28.083  11.013
  Start of MODEL    7
    1   1H    MET   1          1HT       MET   1  -8.831   6.237  -0.732
    2   2H    MET   1          2HT       MET   1  -9.023   7.563   0.314
    3   3H    MET   1          3HT       MET   1  -7.466   7.020  -0.099
    4    HA   MET   1           HA       MET   1  -7.825   7.671  -2.411
    5   1HB   MET   1          2HB       MET   1 -10.343   7.201  -2.003
    6   2HB   MET   1          1HB       MET   1 -10.413   8.859  -1.405
    7   1HG   MET   1          2HG       MET   1 -10.929   9.116  -3.681
    8   2HG   MET   1          1HG       MET   1  -9.199   9.459  -3.636
    9   1HE   MET   1          1HE       MET   1 -11.322   5.664  -5.051
   10   2HE   MET   1          2HE       MET   1 -11.961   7.290  -5.277
   11   3HE   MET   1          3HE       MET   1 -11.725   6.663  -3.648
   12    H    LYS   2           H        LYS   2  -6.662   9.534  -2.751
   13    HA   LYS   2           HA       LYS   2  -6.338  11.451  -0.536
   14   1HB   LYS   2          2HB       LYS   2  -4.980  10.638  -3.031
   15   2HB   LYS   2          1HB       LYS   2  -4.835  12.352  -2.639
   16   1HG   LYS   2          2HG       LYS   2  -4.412  11.133  -0.186
   17   2HG   LYS   2          1HG       LYS   2  -3.637  10.023  -1.310
   18   1HD   LYS   2          2HD       LYS   2  -2.609  12.209  -2.338
   19   2HD   LYS   2          1HD       LYS   2  -3.014  12.908  -0.769
   20   1HE   LYS   2          2HE       LYS   2  -1.678  10.281  -0.604
   21   2HE   LYS   2          1HE       LYS   2  -0.684  11.572  -1.305
   22   1HZ   LYS   2          1HZ       LYS   2  -1.297  13.006   0.542
   23   2HZ   LYS   2          2HZ       LYS   2  -0.548  11.593   1.117
   24   3HZ   LYS   2          3HZ       LYS   2  -2.234  11.767   1.224
   25    H    LYS   3           H        LYS   3  -6.288  13.862  -1.222
   26    HA   LYS   3           HA       LYS   3  -7.885  14.781  -3.432
   27   1HB   LYS   3          2HB       LYS   3  -9.355  13.632  -1.413
   28   2HB   LYS   3          1HB       LYS   3  -9.373  15.330  -0.937
   29   1HG   LYS   3          2HG       LYS   3 -10.093  15.898  -3.287
   30   2HG   LYS   3          1HG       LYS   3 -10.263  14.167  -3.590
   31   1HD   LYS   3          2HD       LYS   3 -12.409  14.566  -2.889
   32   2HD   LYS   3          1HD       LYS   3 -11.677  14.352  -1.299
   33   1HE   LYS   3          2HE       LYS   3 -11.783  16.605  -0.798
   34   2HE   LYS   3          1HE       LYS   3 -11.574  17.094  -2.493
   35   1HZ   LYS   3          1HZ       LYS   3 -13.853  17.447  -1.866
   36   2HZ   LYS   3          2HZ       LYS   3 -13.993  15.855  -1.288
   37   3HZ   LYS   3          3HZ       LYS   3 -13.790  16.145  -2.949
   38    H    LYS   4           H        LYS   4  -6.710  15.431  -0.144
   39    HA   LYS   4           HA       LYS   4  -6.895  18.210   0.042
   40   1HB   LYS   4          2HB       LYS   4  -5.003  16.100   0.983
   41   2HB   LYS   4          1HB       LYS   4  -4.531  17.783   1.225
   42   1HG   LYS   4          2HG       LYS   4  -7.308  16.924   1.970
   43   2HG   LYS   4          1HG       LYS   4  -5.970  16.548   3.057
   44   1HD   LYS   4          2HD       LYS   4  -5.354  19.090   2.666
   45   2HD   LYS   4          1HD       LYS   4  -7.062  19.220   2.250
   46   1HE   LYS   4          2HE       LYS   4  -7.634  18.133   4.440
   47   2HE   LYS   4          1HE       LYS   4  -5.911  18.184   4.865
   48   1HZ   LYS   4          1HZ       LYS   4  -7.566  20.526   4.078
   49   2HZ   LYS   4          2HZ       LYS   4  -5.914  20.566   4.474
   50   3HZ   LYS   4          3HZ       LYS   4  -7.064  20.166   5.657
   51    H    ASP   5           H        ASP   5  -3.778  16.708  -0.899
   52    HA   ASP   5           HA       ASP   5  -3.473  18.260  -3.330
   53   1HB   ASP   5          2HB       ASP   5  -3.150  19.657  -0.932
   54   2HB   ASP   5          1HB       ASP   5  -1.496  19.274  -1.409
   55    HA   PRO   6           HA       PRO   6  -0.276  15.233  -3.726
   56   1HB   PRO   6          2HB       PRO   6   1.322  16.382  -5.627
   57   2HB   PRO   6          1HB       PRO   6  -0.260  15.669  -6.000
   58   1HG   PRO   6          2HG       PRO   6   0.497  18.524  -5.656
   59   2HG   PRO   6          1HG       PRO   6  -0.643  17.786  -6.792
   60   1HD   PRO   6          2HD       PRO   6  -1.395  19.093  -4.512
   61   2HD   PRO   6          1HD       PRO   6  -2.361  17.820  -5.290
   62    H    ASN   7           H        ASN   7   0.666  18.605  -3.225
   63    HA   ASN   7           HA       ASN   7   3.399  17.991  -2.390
   64   1HB   ASN   7          2HB       ASN   7   1.573  20.394  -2.389
   65   2HB   ASN   7          1HB       ASN   7   3.170  20.469  -1.643
   66   1HD2  ASN   7          1HD2      ASN   7   4.710  21.265  -3.069
   67   2HD2  ASN   7          2HD2      ASN   7   4.718  21.006  -4.747
   68    H    ALA   8           H        ALA   8   0.295  18.037  -0.813
   69    HA   ALA   8           HA       ALA   8   1.533  18.226   1.894
   70   1HB   ALA   8          1HB       ALA   8  -0.897  18.351   2.556
   71   2HB   ALA   8          2HB       ALA   8  -1.315  18.231   0.847
   72   3HB   ALA   8          3HB       ALA   8  -0.406  19.622   1.437
   73    HA   PRO   9           HA       PRO   9   1.142  13.692   1.527
   74   1HB   PRO   9          2HB       PRO   9   2.995  13.068   3.430
   75   2HB   PRO   9          1HB       PRO   9   3.434  13.500   1.766
   76   1HG   PRO   9          2HG       PRO   9   3.541  15.142   4.238
   77   2HG   PRO   9          1HG       PRO   9   4.640  15.114   2.854
   78   1HD   PRO   9          2HD       PRO   9   2.717  17.033   3.281
   79   2HD   PRO   9          1HD       PRO   9   3.411  16.634   1.696
   80    H    LYS  10           H        LYS  10  -0.918  14.957   2.912
   81    HA   LYS  10           HA       LYS  10  -0.948  14.385   5.731
   82   1HB   LYS  10          2HB       LYS  10  -2.464  15.785   3.825
   83   2HB   LYS  10          1HB       LYS  10  -3.548  14.527   4.418
   84   1HG   LYS  10          2HG       LYS  10  -3.931  16.027   6.065
   85   2HG   LYS  10          1HG       LYS  10  -2.468  15.347   6.759
   86   1HD   LYS  10          2HD       LYS  10  -1.195  17.188   6.229
   87   2HD   LYS  10          1HD       LYS  10  -2.129  17.543   4.776
   88   1HE   LYS  10          2HE       LYS  10  -3.699  18.792   5.926
   89   2HE   LYS  10          1HE       LYS  10  -3.517  17.840   7.413
   90   1HZ   LYS  10          1HZ       LYS  10  -1.327  18.780   7.728
   91   2HZ   LYS  10          2HZ       LYS  10  -2.468  20.033   7.608
   92   3HZ   LYS  10          3HZ       LYS  10  -1.460  19.669   6.290
   93    H    ARG  11           H        ARG  11  -2.519  12.808   6.712
   94    HA   ARG  11           HA       ARG  11  -3.175  10.567   7.028
   95   1HB   ARG  11          2HB       ARG  11  -4.099  11.483   4.340
   96   2HB   ARG  11          1HB       ARG  11  -4.321   9.780   4.745
   97   1HG   ARG  11          2HG       ARG  11  -6.199  10.417   5.837
   98   2HG   ARG  11          1HG       ARG  11  -5.129  11.105   7.060
   99   1HD   ARG  11          2HD       ARG  11  -5.128  13.268   5.859
  100   2HD   ARG  11          1HD       ARG  11  -6.209  12.580   4.629
  101    HE   ARG  11           HE       ARG  11  -7.815  12.126   6.564
  102   1HH1  ARG  11          1HH1      ARG  11  -5.254  13.580   8.014
  103   2HH1  ARG  11          2HH1      ARG  11  -6.111  14.953   8.630
  104   1HH2  ARG  11          1HH2      ARG  11  -8.987  14.313   6.804
  105   2HH2  ARG  11          2HH2      ARG  11  -8.224  15.368   7.946
  106    HA   PRO  12           HA       PRO  12   0.520   8.687   5.096
  107   1HB   PRO  12          2HB       PRO  12   1.186   7.124   7.241
  108   2HB   PRO  12          1HB       PRO  12   1.683   8.821   7.091
  109   1HG   PRO  12          2HG       PRO  12  -0.519   7.628   8.691
  110   2HG   PRO  12          1HG       PRO  12   0.570   8.966   9.086
  111   1HD   PRO  12          2HD       PRO  12  -2.012   9.301   8.249
  112   2HD   PRO  12          1HD       PRO  12  -0.730  10.511   8.020
  113    HA   PRO  13           HA       PRO  13  -1.967   5.097   4.159
  114   1HB   PRO  13          2HB       PRO  13  -0.322   3.941   2.312
  115   2HB   PRO  13          1HB       PRO  13  -1.317   5.367   1.960
  116   1HG   PRO  13          2HG       PRO  13   1.587   5.169   2.456
  117   2HG   PRO  13          1HG       PRO  13   0.683   6.320   1.464
  118   1HD   PRO  13          2HD       PRO  13   1.716   6.799   4.017
  119   2HD   PRO  13          1HD       PRO  13   0.518   7.797   3.168
  120    H    SER  14           H        SER  14  -1.680   2.649   4.210
  121    HA   SER  14           HA       SER  14   0.730   1.586   5.513
  122   1HB   SER  14          2HB       SER  14  -0.331   1.113   7.620
  123   2HB   SER  14          1HB       SER  14  -0.662   2.805   7.262
  124    HG   SER  14           HG       SER  14  -2.356   0.558   7.059
  125    H    ALA  15           H        ALA  15   0.094   0.533   3.223
  126    HA   ALA  15           HA       ALA  15  -0.474  -1.445   2.125
  127   1HB   ALA  15          1HB       ALA  15   0.012  -3.170   3.502
  128   2HB   ALA  15          2HB       ALA  15  -1.547  -2.988   4.304
  129   3HB   ALA  15          3HB       ALA  15  -0.143  -2.095   4.889
  130    H    PHE  16           H        PHE  16  -2.927  -1.627   4.723
  131    HA   PHE  16           HA       PHE  16  -5.140  -2.221   3.112
  132   1HB   PHE  16          2HB       PHE  16  -4.788  -2.078   5.673
  133   2HB   PHE  16          1HB       PHE  16  -5.260  -0.389   5.505
  134    HD1  PHE  16           1HD      PHE  16  -7.477  -0.036   6.110
  135    HD2  PHE  16           2HD      PHE  16  -6.439  -3.610   3.968
  136    HE1  PHE  16           1HE      PHE  16  -9.866  -0.698   6.058
  137    HE2  PHE  16           2HE      PHE  16  -8.828  -4.274   3.916
  138    HZ   PHE  16           HZ       PHE  16 -10.542  -2.817   4.961
  139    H    PHE  17           H        PHE  17  -3.923   1.005   4.033
  140    HA   PHE  17           HA       PHE  17  -5.996   2.541   2.778
  141   1HB   PHE  17          2HB       PHE  17  -3.909   3.041   4.414
  142   2HB   PHE  17          1HB       PHE  17  -3.194   3.558   2.887
  143    HD1  PHE  17           1HD      PHE  17  -4.462   5.243   1.452
  144    HD2  PHE  17           2HD      PHE  17  -5.509   4.388   5.529
  145    HE1  PHE  17           1HE      PHE  17  -5.744   7.362   1.566
  146    HE2  PHE  17           2HE      PHE  17  -6.792   6.507   5.644
  147    HZ   PHE  17           HZ       PHE  17  -6.909   7.995   3.663
  148    H    LEU  18           H        LEU  18  -3.153   0.902   1.504
  149    HA   LEU  18           HA       LEU  18  -3.166   2.362  -1.043
  150   1HB   LEU  18          2HB       LEU  18  -1.759  -0.212  -0.260
  151   2HB   LEU  18          1HB       LEU  18  -1.303   0.894  -1.549
  152    HG   LEU  18           HG       LEU  18  -1.256   1.515   1.425
  153   1HD1  LEU  18          1HD1      LEU  18   1.240   1.724   0.899
  154   2HD1  LEU  18          2HD1      LEU  18   0.886   0.902  -0.620
  155   3HD1  LEU  18          3HD1      LEU  18   0.583   0.088   0.916
  156   1HD2  LEU  18          1HD2      LEU  18  -1.663   3.599   0.433
  157   2HD2  LEU  18          2HD2      LEU  18  -0.823   3.165  -1.056
  158   3HD2  LEU  18          3HD2      LEU  18   0.099   3.538   0.400
  159    H    PHE  19           H        PHE  19  -4.173  -0.838   0.161
  160    HA   PHE  19           HA       PHE  19  -4.904  -1.931  -2.410
  161   1HB   PHE  19          2HB       PHE  19  -4.400  -3.160  -0.262
  162   2HB   PHE  19          1HB       PHE  19  -5.960  -2.611   0.351
  163    HD1  PHE  19           1HD      PHE  19  -4.247  -4.881  -1.951
  164    HD2  PHE  19           2HD      PHE  19  -8.070  -3.376  -0.701
  165    HE1  PHE  19           1HE      PHE  19  -5.368  -6.758  -3.121
  166    HE2  PHE  19           2HE      PHE  19  -9.191  -5.253  -1.870
  167    HZ   PHE  19           HZ       PHE  19  -7.840  -6.944  -3.080
  168    H    CYS  20           H        CYS  20  -6.882  -0.534   0.235
  169    HA   CYS  20           HA       CYS  20  -9.388  -0.685  -1.176
  170   1HB   CYS  20          2HB       CYS  20  -8.988  -0.415   1.303
  171   2HB   CYS  20          1HB       CYS  20  -8.519   1.255   0.989
  172    HG   CYS  20           HG       CYS  20 -11.219   0.766   1.525
  173    H    SER  21           H        SER  21  -6.843   1.761  -1.028
  174    HA   SER  21           HA       SER  21  -8.398   3.782  -2.474
  175   1HB   SER  21          2HB       SER  21  -6.669   4.260  -0.750
  176   2HB   SER  21          1HB       SER  21  -5.444   3.581  -1.817
  177    HG   SER  21           HG       SER  21  -6.502   6.040  -1.804
  178    H    GLU  22           H        GLU  22  -6.972   0.944  -3.571
  179    HA   GLU  22           HA       GLU  22  -6.498   2.163  -6.263
  180   1HB   GLU  22          2HB       GLU  22  -4.840   0.234  -4.663
  181   2HB   GLU  22          1HB       GLU  22  -4.631   0.413  -6.402
  182   1HG   GLU  22          2HG       GLU  22  -4.607   2.819  -4.587
  183   2HG   GLU  22          1HG       GLU  22  -3.146   1.867  -4.845
  184    H    TYR  23           H        TYR  23  -8.386  -0.026  -4.572
  185    HA   TYR  23           HA       TYR  23  -8.550  -1.925  -6.883
  186   1HB   TYR  23          2HB       TYR  23  -8.910  -2.081  -3.923
  187   2HB   TYR  23          1HB       TYR  23  -9.892  -3.156  -4.918
  188    HD1  TYR  23           1HD      TYR  23  -8.991  -5.205  -5.572
  189    HD2  TYR  23           2HD      TYR  23  -6.346  -1.955  -4.624
  190    HE1  TYR  23           1HE      TYR  23  -7.038  -6.699  -5.897
  191    HE2  TYR  23           2HE      TYR  23  -4.395  -3.449  -4.949
  192    HH   TYR  23           HH       TYR  23  -4.383  -6.133  -6.567
  193    H    ARG  24           H        ARG  24 -10.375   0.359  -4.926
  194    HA   ARG  24           HA       ARG  24 -13.030  -0.305  -5.423
  195   1HB   ARG  24          2HB       ARG  24 -11.621   2.369  -5.344
  196   2HB   ARG  24          1HB       ARG  24 -13.376   2.190  -5.319
  197   1HG   ARG  24          2HG       ARG  24 -13.260   0.857  -3.285
  198   2HG   ARG  24          1HG       ARG  24 -11.498   0.894  -3.328
  199   1HD   ARG  24          2HD       ARG  24 -11.931   2.645  -1.838
  200   2HD   ARG  24          1HD       ARG  24 -11.907   3.534  -3.375
  201    HE   ARG  24           HE       ARG  24 -14.491   2.841  -3.329
  202   1HH1  ARG  24          1HH2      ARG  24 -14.142   2.156  -0.378
  203   2HH1  ARG  24          2HH2      ARG  24 -14.671   3.625   0.371
  204   1HH2  ARG  24          1HH1      ARG  24 -14.454   5.498  -2.539
  205   2HH2  ARG  24          2HH1      ARG  24 -14.848   5.517  -0.852
  206    HA   PRO  25           HA       PRO  25 -12.956   2.174  -9.616
  207   1HB   PRO  25          2HB       PRO  25 -10.510   2.267 -10.875
  208   2HB   PRO  25          1HB       PRO  25 -11.143   3.572  -9.849
  209   1HG   PRO  25          2HG       PRO  25  -9.253   1.363  -9.139
  210   2HG   PRO  25          1HG       PRO  25  -9.141   3.097  -8.774
  211   1HD   PRO  25          2HD       PRO  25  -9.971   1.407  -6.922
  212   2HD   PRO  25          1HD       PRO  25 -10.772   2.982  -7.100
  213    H    LYS  26           H        LYS  26 -10.820  -0.535  -8.961
  214    HA   LYS  26           HA       LYS  26 -11.106  -1.899 -11.501
  215   1HB   LYS  26          2HB       LYS  26  -9.425  -2.242  -9.571
  216   2HB   LYS  26          1HB       LYS  26 -10.727  -3.120  -8.760
  217   1HG   LYS  26          2HG       LYS  26  -9.956  -3.823 -11.584
  218   2HG   LYS  26          1HG       LYS  26  -9.035  -4.469 -10.225
  219   1HD   LYS  26          2HD       LYS  26 -11.349  -5.147  -9.260
  220   2HD   LYS  26          1HD       LYS  26 -11.938  -4.906 -10.905
  221   1HE   LYS  26          2HE       LYS  26  -9.503  -6.617 -10.385
  222   2HE   LYS  26          1HE       LYS  26 -11.141  -7.294 -10.276
  223   1HZ   LYS  26          1HZ       LYS  26 -10.061  -5.771 -12.590
  224   2HZ   LYS  26          2HZ       LYS  26 -11.621  -6.437 -12.475
  225   3HZ   LYS  26          3HZ       LYS  26 -10.262  -7.454 -12.539
  226    H    ILE  27           H        ILE  27 -12.764  -2.080  -8.373
  227    HA   ILE  27           HA       ILE  27 -14.615  -4.171  -8.939
  228    HB   ILE  27           HB       ILE  27 -14.866  -1.691  -7.191
  229   1HG1  ILE  27          2HG1      ILE  27 -12.849  -2.994  -6.654
  230   2HG1  ILE  27          1HG1      ILE  27 -14.043  -3.161  -5.375
  231   1HG2  ILE  27          1HG2      ILE  27 -16.396  -3.167  -5.839
  232   2HG2  ILE  27          2HG2      ILE  27 -16.352  -4.329  -7.165
  233   3HG2  ILE  27          3HG2      ILE  27 -17.030  -2.722  -7.423
  234   1HD1  ILE  27          1HD1      ILE  27 -13.325  -5.160  -7.520
  235   2HD1  ILE  27          2HD1      ILE  27 -14.808  -5.288  -6.576
  236   3HD1  ILE  27          3HD1      ILE  27 -13.241  -5.361  -5.769
  237    H    LYS  28           H        LYS  28 -14.654  -0.728  -9.709
  238    HA   LYS  28           HA       LYS  28 -17.466  -0.600 -10.362
  239   1HB   LYS  28          2HB       LYS  28 -15.384   1.257 -11.509
  240   2HB   LYS  28          1HB       LYS  28 -17.017   1.627 -10.976
  241   1HG   LYS  28          2HG       LYS  28 -14.531   1.254  -9.349
  242   2HG   LYS  28          1HG       LYS  28 -15.658   2.588  -9.317
  243   1HD   LYS  28          2HD       LYS  28 -16.069  -0.187  -8.148
  244   2HD   LYS  28          1HD       LYS  28 -15.907   1.328  -7.272
  245   1HE   LYS  28          2HE       LYS  28 -18.133   0.936  -9.290
  246   2HE   LYS  28          1HE       LYS  28 -18.313   0.453  -7.594
  247   1HZ   LYS  28          1HZ       LYS  28 -19.003   2.749  -7.898
  248   2HZ   LYS  28          2HZ       LYS  28 -17.486   3.141  -8.554
  249   3HZ   LYS  28          3HZ       LYS  28 -17.615   2.673  -6.927
  250    H    SER  29           H        SER  29 -14.536  -1.138 -12.308
  251    HA   SER  29           HA       SER  29 -15.648  -0.950 -14.907
  252   1HB   SER  29          2HB       SER  29 -13.233  -1.226 -14.197
  253   2HB   SER  29          1HB       SER  29 -13.571  -2.934 -13.932
  254    HG   SER  29           HG       SER  29 -13.713  -3.240 -16.037
  255    H    GLU  30           H        GLU  30 -15.956  -3.490 -12.504
  256    HA   GLU  30           HA       GLU  30 -17.461  -5.178 -14.477
  257   1HB   GLU  30          2HB       GLU  30 -15.451  -5.653 -12.393
  258   2HB   GLU  30          1HB       GLU  30 -16.848  -6.713 -12.232
  259   1HG   GLU  30          2HG       GLU  30 -15.470  -6.305 -14.887
  260   2HG   GLU  30          1HG       GLU  30 -14.932  -7.535 -13.744
  261    H    HIS  31           H        HIS  31 -17.607  -3.513 -11.408
  262    HA   HIS  31           HA       HIS  31 -20.424  -4.494 -11.036
  263   1HB   HIS  31          2HB       HIS  31 -18.549  -3.476  -8.877
  264   2HB   HIS  31          1HB       HIS  31 -20.068  -4.334  -8.658
  265    HD1  HIS  31           1HD      HIS  31 -16.454  -4.863  -9.359
  266    HD2  HIS  31           2HD      HIS  31 -19.926  -7.168  -9.231
  267    HE1  HIS  31           1HE      HIS  31 -15.706  -7.279  -9.358
  268    HA   PRO  32           HA       PRO  32 -20.723   0.005 -11.755
  269   1HB   PRO  32          2HB       PRO  32 -23.220  -0.060 -12.872
  270   2HB   PRO  32          1HB       PRO  32 -21.738  -0.358 -13.796
  271   1HG   PRO  32          2HG       PRO  32 -23.736  -2.284 -12.762
  272   2HG   PRO  32          1HG       PRO  32 -22.773  -2.339 -14.245
  273   1HD   PRO  32          2HD       PRO  32 -22.229  -3.784 -11.962
  274   2HD   PRO  32          1HD       PRO  32 -21.042  -3.393 -13.224
  275    H    GLY  33           H        GLY  33 -23.294  -2.147 -10.554
  276   1HA   GLY  33          2HA       GLY  33 -24.681  -0.113  -9.055
  277   2HA   GLY  33          1HA       GLY  33 -24.871  -1.852  -8.846
  278    H    LEU  34           H        LEU  34 -21.803  -1.953  -8.451
  279    HA   LEU  34           HA       LEU  34 -21.709  -2.131  -5.634
  280   1HB   LEU  34          2HB       LEU  34 -19.951  -2.309  -7.917
  281   2HB   LEU  34          1HB       LEU  34 -19.126  -1.440  -6.631
  282    HG   LEU  34           HG       LEU  34 -18.772  -3.915  -6.543
  283   1HD1  LEU  34          1HD1      LEU  34 -19.901  -2.263  -4.359
  284   2HD1  LEU  34          2HD1      LEU  34 -18.360  -3.115  -4.453
  285   3HD1  LEU  34          3HD1      LEU  34 -19.834  -3.999  -4.055
  286   1HD2  LEU  34          1HD2      LEU  34 -20.488  -5.427  -6.385
  287   2HD2  LEU  34          2HD2      LEU  34 -21.401  -4.147  -7.181
  288   3HD2  LEU  34          3HD2      LEU  34 -21.495  -4.338  -5.431
  289    H    SER  35           H        SER  35 -22.756  -0.123  -4.868
  290    HA   SER  35           HA       SER  35 -21.577   2.492  -5.339
  291   1HB   SER  35          2HB       SER  35 -23.148   3.120  -3.498
  292   2HB   SER  35          1HB       SER  35 -23.932   2.146  -4.738
  293    HG   SER  35           HG       SER  35 -24.481   1.095  -2.946
  294    H    ILE  36           H        ILE  36 -20.875   3.785  -3.238
  295    HA   ILE  36           HA       ILE  36 -18.411   2.766  -2.274
  296    HB   ILE  36           HB       ILE  36 -20.330   4.803  -1.091
  297   1HG1  ILE  36          2HG1      ILE  36 -19.620   5.307  -3.404
  298   2HG1  ILE  36          1HG1      ILE  36 -18.896   6.442  -2.269
  299   1HG2  ILE  36          1HG2      ILE  36 -18.773   4.237   0.634
  300   2HG2  ILE  36          2HG2      ILE  36 -18.169   5.729  -0.087
  301   3HG2  ILE  36          3HG2      ILE  36 -17.424   4.185  -0.502
  302   1HD1  ILE  36          1HD1      ILE  36 -16.839   4.958  -2.248
  303   2HD1  ILE  36          2HD1      ILE  36 -17.157   5.757  -3.788
  304   3HD1  ILE  36          3HD1      ILE  36 -17.565   4.054  -3.578
  305    H    GLY  37           H        GLY  37 -21.685   2.434  -0.976
  306   1HA   GLY  37          2HA       GLY  37 -21.052   1.472   1.622
  307   2HA   GLY  37          1HA       GLY  37 -22.524   1.066   0.738
  308    H    ASP  38           H        ASP  38 -22.045  -0.544  -1.168
  309    HA   ASP  38           HA       ASP  38 -21.031  -2.992  -0.019
  310   1HB   ASP  38          2HB       ASP  38 -22.162  -2.005  -2.589
  311   2HB   ASP  38          1HB       ASP  38 -21.226  -3.498  -2.674
  312    H    THR  39           H        THR  39 -19.675  -0.613  -2.281
  313    HA   THR  39           HA       THR  39 -17.350  -2.103  -3.072
  314    HB   THR  39           HB       THR  39 -17.845   0.882  -2.813
  315    HG1  THR  39           1HG      THR  39 -18.740   0.714  -4.735
  316   1HG2  THR  39          1HG2      THR  39 -15.702  -0.711  -4.241
  317   2HG2  THR  39          2HG2      THR  39 -15.478   0.547  -3.026
  318   3HG2  THR  39          3HG2      THR  39 -16.067   0.970  -4.634
  319    H    ALA  40           H        ALA  40 -18.089  -0.164  -0.228
  320    HA   ALA  40           HA       ALA  40 -15.340   0.004   0.730
  321   1HB   ALA  40          1HB       ALA  40 -18.049   0.352   2.059
  322   2HB   ALA  40          2HB       ALA  40 -17.075   1.630   1.333
  323   3HB   ALA  40          3HB       ALA  40 -16.511   0.811   2.789
  324    H    LYS  41           H        LYS  41 -18.177  -2.008   1.545
  325    HA   LYS  41           HA       LYS  41 -16.596  -3.634   3.408
  326   1HB   LYS  41          2HB       LYS  41 -18.744  -4.706   3.850
  327   2HB   LYS  41          1HB       LYS  41 -18.947  -2.958   3.824
  328   1HG   LYS  41          2HG       LYS  41 -19.599  -3.243   1.351
  329   2HG   LYS  41          1HG       LYS  41 -19.729  -4.963   1.704
  330   1HD   LYS  41          2HD       LYS  41 -21.924  -3.988   1.982
  331   2HD   LYS  41          1HD       LYS  41 -21.302  -4.387   3.582
  332   1HE   LYS  41          2HE       LYS  41 -20.374  -1.779   3.154
  333   2HE   LYS  41          1HE       LYS  41 -22.021  -1.771   2.493
  334   1HZ   LYS  41          1HZ       LYS  41 -22.073  -1.374   4.873
  335   2HZ   LYS  41          2HZ       LYS  41 -21.217  -2.814   5.159
  336   3HZ   LYS  41          3HZ       LYS  41 -22.789  -2.869   4.517
  337    H    LYS  42           H        LYS  42 -17.206  -3.767  -0.003
  338    HA   LYS  42           HA       LYS  42 -17.021  -6.709  -0.160
  339   1HB   LYS  42          2HB       LYS  42 -18.451  -5.271  -1.644
  340   2HB   LYS  42          1HB       LYS  42 -16.982  -4.547  -2.293
  341   1HG   LYS  42          2HG       LYS  42 -17.854  -6.349  -3.756
  342   2HG   LYS  42          1HG       LYS  42 -16.252  -6.738  -3.136
  343   1HD   LYS  42          2HD       LYS  42 -17.025  -8.468  -1.846
  344   2HD   LYS  42          1HD       LYS  42 -18.539  -7.644  -1.471
  345   1HE   LYS  42          2HE       LYS  42 -19.611  -8.474  -3.339
  346   2HE   LYS  42          1HE       LYS  42 -18.122  -8.507  -4.304
  347   1HZ   LYS  42          1HZ       LYS  42 -17.310 -10.300  -2.849
  348   2HZ   LYS  42          2HZ       LYS  42 -18.714 -10.747  -3.696
  349   3HZ   LYS  42          3HZ       LYS  42 -18.808 -10.323  -2.054
  350    H    LEU  43           H        LEU  43 -14.767  -4.444   0.568
  351    HA   LEU  43           HA       LEU  43 -12.639  -5.504  -1.231
  352   1HB   LEU  43          2HB       LEU  43 -13.164  -3.050   0.364
  353   2HB   LEU  43          1HB       LEU  43 -11.478  -3.552   0.248
  354    HG   LEU  43           HG       LEU  43 -13.249  -3.359  -2.190
  355   1HD1  LEU  43          1HD1      LEU  43 -11.451  -1.206  -1.030
  356   2HD1  LEU  43          2HD1      LEU  43 -13.214  -1.155  -1.060
  357   3HD1  LEU  43          3HD1      LEU  43 -12.305  -1.118  -2.571
  358   1HD2  LEU  43          1HD2      LEU  43 -10.945  -3.005  -3.230
  359   2HD2  LEU  43          2HD2      LEU  43 -11.237  -4.610  -2.562
  360   3HD2  LEU  43          3HD2      LEU  43 -10.268  -3.443  -1.662
  361    H    GLY  44           H        GLY  44 -13.746  -5.436   2.107
  362   1HA   GLY  44          2HA       GLY  44 -11.316  -6.420   3.314
  363   2HA   GLY  44          1HA       GLY  44 -12.923  -6.481   4.042
  364    H    GLU  45           H        GLU  45 -14.024  -7.919   1.659
  365    HA   GLU  45           HA       GLU  45 -13.794 -10.609   2.542
  366   1HB   GLU  45          2HB       GLU  45 -15.394  -9.277   0.864
  367   2HB   GLU  45          1HB       GLU  45 -14.306  -9.969  -0.339
  368   1HG   GLU  45          2HG       GLU  45 -14.794 -12.203   0.369
  369   2HG   GLU  45          1HG       GLU  45 -15.627 -11.632   1.816
  370    H    MET  46           H        MET  46 -12.287  -9.099  -0.343
  371    HA   MET  46           HA       MET  46 -10.578 -11.353  -0.936
  372   1HB   MET  46          2HB       MET  46 -10.556  -8.408  -1.670
  373   2HB   MET  46          1HB       MET  46  -9.449  -9.586  -2.378
  374   1HG   MET  46          2HG       MET  46 -11.427 -10.928  -3.118
  375   2HG   MET  46          1HG       MET  46 -12.475  -9.641  -2.526
  376   1HE   MET  46          1HE       MET  46 -13.055 -10.444  -5.083
  377   2HE   MET  46          2HE       MET  46 -11.513 -10.999  -5.728
  378   3HE   MET  46          3HE       MET  46 -12.353  -9.659  -6.505
  379    H    TRP  47           H        TRP  47  -9.901  -8.146   0.516
  380    HA   TRP  47           HA       TRP  47  -7.183  -8.442   1.146
  381   1HB   TRP  47          2HB       TRP  47  -8.681  -6.435   1.430
  382   2HB   TRP  47          1HB       TRP  47  -9.317  -7.184   2.895
  383    HD1  TRP  47           HD       TRP  47  -8.174  -6.344   4.989
  384    HE1  TRP  47           1HE      TRP  47  -5.817  -5.506   5.609
  385    HE3  TRP  47           3HE      TRP  47  -5.858  -6.800   0.461
  386    HZ2  TRP  47           2HZ      TRP  47  -3.282  -5.084   4.349
  387    HZ3  TRP  47           3HZ      TRP  47  -3.473  -6.175   0.200
  388    HH2  TRP  47           HH       TRP  47  -2.185  -5.317   2.135
  389    H    SER  48           H        SER  48  -9.874  -9.150   3.423
  390    HA   SER  48           HA       SER  48  -8.296 -10.365   5.455
  391   1HB   SER  48          2HB       SER  48 -10.668  -9.583   5.611
  392   2HB   SER  48          1HB       SER  48 -11.157 -10.961   4.628
  393    HG   SER  48           HG       SER  48 -11.376 -11.596   6.723
  394    H    GLU  49           H        GLU  49  -9.737 -11.725   2.516
  395    HA   GLU  49           HA       GLU  49  -9.377 -14.503   3.090
  396   1HB   GLU  49          2HB       GLU  49  -9.856 -12.730   0.776
  397   2HB   GLU  49          1HB       GLU  49  -9.061 -14.249   0.364
  398   1HG   GLU  49          2HG       GLU  49 -10.838 -15.490   1.570
  399   2HG   GLU  49          1HG       GLU  49 -11.648 -13.962   1.920
  400    H    GLN  50           H        GLN  50  -7.209 -12.103   1.600
  401    HA   GLN  50           HA       GLN  50  -5.070 -13.841   0.862
  402   1HB   GLN  50          2HB       GLN  50  -5.175 -10.945   1.758
  403   2HB   GLN  50          1HB       GLN  50  -3.745 -11.693   1.046
  404   1HG   GLN  50          2HG       GLN  50  -6.405 -11.847  -0.357
  405   2HG   GLN  50          1HG       GLN  50  -5.385 -10.418  -0.527
  406   1HE2  GLN  50          1HE2      GLN  50  -4.776 -10.820  -2.743
  407   2HE2  GLN  50          2HE2      GLN  50  -3.810 -12.140  -3.193
  408    H    SER  51           H        SER  51  -3.064 -14.253   1.969
  409    HA   SER  51           HA       SER  51  -3.335 -14.324   4.949
  410   1HB   SER  51          2HB       SER  51  -1.495 -15.872   3.097
  411   2HB   SER  51          1HB       SER  51  -1.825 -16.223   4.791
  412    HG   SER  51           HG       SER  51  -3.403 -16.619   2.518
  413    H    ALA  52           H        ALA  52  -0.440 -14.811   5.244
  414    HA   ALA  52           HA       ALA  52   0.468 -12.025   5.286
  415   1HB   ALA  52          1HB       ALA  52   1.729 -14.694   5.996
  416   2HB   ALA  52          2HB       ALA  52   0.974 -13.555   7.111
  417   3HB   ALA  52          3HB       ALA  52   2.489 -13.134   6.312
  418    H    LYS  53           H        LYS  53   0.075 -12.361   2.662
  419    HA   LYS  53           HA       LYS  53   2.827 -12.689   1.540
  420   1HB   LYS  53          2HB       LYS  53   0.873 -14.596   1.331
  421   2HB   LYS  53          1HB       LYS  53   0.563 -13.639  -0.117
  422   1HG   LYS  53          2HG       LYS  53   2.827 -13.935  -0.891
  423   2HG   LYS  53          1HG       LYS  53   3.306 -14.679   0.636
  424   1HD   LYS  53          2HD       LYS  53   1.484 -16.441   0.129
  425   2HD   LYS  53          1HD       LYS  53   1.516 -15.807  -1.517
  426   1HE   LYS  53          2HE       LYS  53   3.108 -17.548  -1.611
  427   2HE   LYS  53          1HE       LYS  53   4.126 -16.129  -1.291
  428   1HZ   LYS  53          1HZ       LYS  53   4.594 -17.918   0.284
  429   2HZ   LYS  53          2HZ       LYS  53   2.967 -17.925   0.777
  430   3HZ   LYS  53          3HZ       LYS  53   3.943 -16.566   1.075
  431    H    ASP  54           H        ASP  54  -0.532 -11.768   0.691
  432    HA   ASP  54           HA       ASP  54   0.138  -9.988  -1.444
  433   1HB   ASP  54          2HB       ASP  54  -2.102 -11.050  -0.727
  434   2HB   ASP  54          1HB       ASP  54  -2.228  -9.714   0.418
  435    H    LYS  55           H        LYS  55   0.165  -9.552   2.041
  436    HA   LYS  55           HA       LYS  55   0.220  -6.622   1.930
  437   1HB   LYS  55          2HB       LYS  55   0.404  -8.800   3.973
  438   2HB   LYS  55          1HB       LYS  55   0.982  -7.197   4.419
  439   1HG   LYS  55          2HG       LYS  55  -1.230  -6.280   3.589
  440   2HG   LYS  55          1HG       LYS  55  -1.789  -7.949   3.462
  441   1HD   LYS  55          2HD       LYS  55  -2.505  -7.279   5.612
  442   2HD   LYS  55          1HD       LYS  55  -1.019  -8.180   5.924
  443   1HE   LYS  55          2HE       LYS  55   0.134  -5.821   5.675
  444   2HE   LYS  55          1HE       LYS  55  -1.490  -5.214   6.058
  445   1HZ   LYS  55          1HZ       LYS  55  -0.084  -7.316   7.617
  446   2HZ   LYS  55          2HZ       LYS  55  -1.562  -6.573   8.006
  447   3HZ   LYS  55          3HZ       LYS  55  -0.118  -5.678   8.057
  448    H    GLN  56           H        GLN  56   2.588  -9.249   2.228
  449    HA   GLN  56           HA       GLN  56   4.907  -8.008   3.082
  450   1HB   GLN  56          2HB       GLN  56   4.171 -10.185   1.229
  451   2HB   GLN  56          1HB       GLN  56   5.805  -9.561   1.004
  452   1HG   GLN  56          2HG       GLN  56   4.702 -10.347   3.712
  453   2HG   GLN  56          1HG       GLN  56   5.597 -11.463   2.679
  454   1HE2  GLN  56          1HE2      GLN  56   7.877 -11.294   2.670
  455   2HE2  GLN  56          2HE2      GLN  56   8.739 -10.090   3.499
  456    HA   PRO  57           HA       PRO  57   5.905  -6.169  -1.187
  457   1HB   PRO  57          2HB       PRO  57   4.089  -6.321  -3.207
  458   2HB   PRO  57          1HB       PRO  57   5.280  -7.598  -2.891
  459   1HG   PRO  57          2HG       PRO  57   2.398  -7.497  -2.236
  460   2HG   PRO  57          1HG       PRO  57   3.398  -8.878  -2.705
  461   1HD   PRO  57          2HD       PRO  57   2.595  -8.295  -0.124
  462   2HD   PRO  57          1HD       PRO  57   3.979  -9.322  -0.556
  463    H    TYR  58           H        TYR  58   2.413  -6.003  -0.509
  464    HA   TYR  58           HA       TYR  58   2.208  -3.193  -1.312
  465   1HB   TYR  58          2HB       TYR  58   0.523  -5.426  -0.921
  466   2HB   TYR  58          1HB       TYR  58   0.001  -4.233   0.266
  467    HD1  TYR  58           1HD      TYR  58  -1.720  -2.852  -0.460
  468    HD2  TYR  58           2HD      TYR  58   1.231  -4.174  -3.286
  469    HE1  TYR  58           1HE      TYR  58  -2.862  -1.572  -2.251
  470    HE2  TYR  58           2HE      TYR  58   0.089  -2.894  -5.077
  471    HH   TYR  58           HH       TYR  58  -1.684  -0.573  -4.831
  472    H    GLU  59           H        GLU  59   3.625  -4.468   1.399
  473    HA   GLU  59           HA       GLU  59   2.436  -2.490   3.286
  474   1HB   GLU  59          2HB       GLU  59   3.648  -3.806   4.979
  475   2HB   GLU  59          1HB       GLU  59   2.687  -4.866   3.957
  476   1HG   GLU  59          2HG       GLU  59   4.549  -6.034   3.455
  477   2HG   GLU  59          1HG       GLU  59   5.217  -4.595   2.686
  478    H    GLN  60           H        GLN  60   5.309  -3.087   1.386
  479    HA   GLN  60           HA       GLN  60   7.055  -1.287   2.880
  480   1HB   GLN  60          2HB       GLN  60   8.565  -1.720   0.982
  481   2HB   GLN  60          1HB       GLN  60   7.826  -3.223   1.523
  482   1HG   GLN  60          2HG       GLN  60   6.003  -2.442  -0.337
  483   2HG   GLN  60          1HG       GLN  60   7.468  -1.747  -1.027
  484   1HE2  GLN  60          1HE2      GLN  60   8.084  -3.220  -2.638
  485   2HE2  GLN  60          2HE2      GLN  60   8.271  -4.889  -2.390
  486    H    LYS  61           H        LYS  61   4.745  -0.977   0.261
  487    HA   LYS  61           HA       LYS  61   5.606   1.464  -0.933
  488   1HB   LYS  61          2HB       LYS  61   3.857  -0.058  -1.802
  489   2HB   LYS  61          1HB       LYS  61   2.815   0.363  -0.444
  490   1HG   LYS  61          2HG       LYS  61   2.498   2.569  -1.213
  491   2HG   LYS  61          1HG       LYS  61   3.910   2.500  -2.269
  492   1HD   LYS  61          2HD       LYS  61   2.709   0.717  -3.602
  493   2HD   LYS  61          1HD       LYS  61   1.271   1.059  -2.640
  494   1HE   LYS  61          2HE       LYS  61   1.385   3.448  -3.369
  495   2HE   LYS  61          1HE       LYS  61   2.756   3.030  -4.415
  496   1HZ   LYS  61          1HZ       LYS  61   0.647   2.876  -5.617
  497   2HZ   LYS  61          2HZ       LYS  61   0.078   1.739  -4.490
  498   3HZ   LYS  61          3HZ       LYS  61   1.395   1.360  -5.494
  499    H    ALA  62           H        ALA  62   3.495   0.882   1.893
  500    HA   ALA  62           HA       ALA  62   2.914   3.671   2.391
  501   1HB   ALA  62          1HB       ALA  62   2.345   2.621   4.700
  502   2HB   ALA  62          2HB       ALA  62   2.773   1.087   3.944
  503   3HB   ALA  62          3HB       ALA  62   1.447   2.050   3.294
  504    H    ALA  63           H        ALA  63   5.785   1.834   2.837
  505    HA   ALA  63           HA       ALA  63   6.757   3.338   5.173
  506   1HB   ALA  63          1HB       ALA  63   7.233   0.911   4.625
  507   2HB   ALA  63          2HB       ALA  63   8.674   1.883   4.925
  508   3HB   ALA  63          3HB       ALA  63   8.212   1.477   3.273
  509    H    LYS  64           H        LYS  64   6.302   4.249   2.031
  510    HA   LYS  64           HA       LYS  64   8.886   5.737   1.806
  511   1HB   LYS  64          2HB       LYS  64   6.707   4.863  -0.102
  512   2HB   LYS  64          1HB       LYS  64   7.897   6.075  -0.568
  513   1HG   LYS  64          2HG       LYS  64   8.600   3.320   0.481
  514   2HG   LYS  64          1HG       LYS  64   8.539   3.738  -1.232
  515   1HD   LYS  64          2HD       LYS  64  10.184   5.622  -0.681
  516   2HD   LYS  64          1HD       LYS  64  10.405   4.833   0.880
  517   1HE   LYS  64          2HE       LYS  64  11.434   2.958  -0.061
  518   2HE   LYS  64          1HE       LYS  64  10.660   3.204  -1.640
  519   1HZ   LYS  64          1HZ       LYS  64  11.937   5.249  -1.899
  520   2HZ   LYS  64          2HZ       LYS  64  12.971   3.915  -1.706
  521   3HZ   LYS  64          3HZ       LYS  64  12.704   4.981  -0.411
  522    H    LEU  65           H        LEU  65   5.377   6.047   1.918
  523    HA   LEU  65           HA       LEU  65   5.406   8.970   1.612
  524   1HB   LEU  65          2HB       LEU  65   3.436   6.750   1.980
  525   2HB   LEU  65          1HB       LEU  65   2.917   8.380   2.407
  526    HG   LEU  65           HG       LEU  65   3.797   9.108   0.119
  527   1HD1  LEU  65          1HD1      LEU  65   3.927   7.280  -1.569
  528   2HD1  LEU  65          2HD1      LEU  65   3.769   6.099  -0.268
  529   3HD1  LEU  65          3HD1      LEU  65   5.187   7.145  -0.341
  530   1HD2  LEU  65          1HD2      LEU  65   1.715   8.676  -0.879
  531   2HD2  LEU  65          2HD2      LEU  65   1.350   8.518   0.838
  532   3HD2  LEU  65          3HD2      LEU  65   1.590   7.076  -0.149
  533    H    LYS  66           H        LYS  66   6.210   6.913   4.156
  534    HA   LYS  66           HA       LYS  66   4.962   8.443   6.331
  535   1HB   LYS  66          2HB       LYS  66   5.380   6.002   6.436
  536   2HB   LYS  66          1HB       LYS  66   7.110   6.294   6.263
  537   1HG   LYS  66          2HG       LYS  66   6.994   6.183   8.562
  538   2HG   LYS  66          1HG       LYS  66   6.658   7.902   8.353
  539   1HD   LYS  66          2HD       LYS  66   4.297   7.560   8.561
  540   2HD   LYS  66          1HD       LYS  66   4.473   5.809   8.432
  541   1HE   LYS  66          2HE       LYS  66   5.865   5.907  10.570
  542   2HE   LYS  66          1HE       LYS  66   5.313   7.585  10.741
  543   1HZ   LYS  66          1HZ       LYS  66   3.786   6.084  11.856
  544   2HZ   LYS  66          2HZ       LYS  66   3.568   5.199  10.422
  545   3HZ   LYS  66          3HZ       LYS  66   3.025   6.806  10.523
  546    H    GLU  67           H        GLU  67   8.085   8.200   4.680
  547    HA   GLU  67           HA       GLU  67   9.594   9.836   6.527
  548   1HB   GLU  67          2HB       GLU  67   9.823   8.815   3.722
  549   2HB   GLU  67          1HB       GLU  67  10.905  10.121   4.208
  550   1HG   GLU  67          2HG       GLU  67  11.646   8.780   6.148
  551   2HG   GLU  67          1HG       GLU  67  10.581   7.468   5.643
  552    H    LYS  68           H        LYS  68   8.380  10.629   3.249
  553    HA   LYS  68           HA       LYS  68   8.751  13.435   3.406
  554   1HB   LYS  68          2HB       LYS  68   6.883  11.626   1.863
  555   2HB   LYS  68          1HB       LYS  68   6.943  13.365   1.575
  556   1HG   LYS  68          2HG       LYS  68   9.442  13.125   1.238
  557   2HG   LYS  68          1HG       LYS  68   9.206  11.377   1.271
  558   1HD   LYS  68          2HD       LYS  68   7.723  11.483  -0.647
  559   2HD   LYS  68          1HD       LYS  68   7.768  13.246  -0.631
  560   1HE   LYS  68          2HE       LYS  68  10.357  12.948  -0.875
  561   2HE   LYS  68          1HE       LYS  68   9.939  11.317  -1.435
  562   1HZ   LYS  68          1HZ       LYS  68   8.368  12.305  -2.997
  563   2HZ   LYS  68          2HZ       LYS  68   9.943  12.872  -3.285
  564   3HZ   LYS  68          3HZ       LYS  68   8.813  13.859  -2.488
  565    H    TYR  69           H        TYR  69   6.311  11.452   4.928
  566    HA   TYR  69           HA       TYR  69   4.321  13.582   5.196
  567   1HB   TYR  69          2HB       TYR  69   3.632  11.260   5.144
  568   2HB   TYR  69          1HB       TYR  69   4.739  10.846   6.448
  569    HD1  TYR  69           1HD      TYR  69   2.436  13.800   6.203
  570    HD2  TYR  69           2HD      TYR  69   3.307  10.078   8.166
  571    HE1  TYR  69           1HE      TYR  69   0.660  14.261   7.869
  572    HE2  TYR  69           2HE      TYR  69   1.533  10.543   9.832
  573    HH   TYR  69           HH       TYR  69   0.356  13.289  10.544
  574    H    GLU  70           H        GLU  70   6.329  11.833   7.598
  575    HA   GLU  70           HA       GLU  70   5.939  13.887   9.632
  576   1HB   GLU  70          2HB       GLU  70   7.392  11.303   9.282
  577   2HB   GLU  70          1HB       GLU  70   7.927  12.362  10.588
  578   1HG   GLU  70          2HG       GLU  70   5.495  12.515  11.309
  579   2HG   GLU  70          1HG       GLU  70   5.158  11.218  10.161
  580    H    LYS  71           H        LYS  71   7.899  13.911   6.890
  581    HA   LYS  71           HA       LYS  71  10.047  15.487   8.265
  582   1HB   LYS  71          2HB       LYS  71  10.588  13.364   6.999
  583   2HB   LYS  71          1HB       LYS  71  10.057  14.183   5.530
  584   1HG   LYS  71          2HG       LYS  71  11.739  16.060   6.437
  585   2HG   LYS  71          1HG       LYS  71  12.493  14.652   7.187
  586   1HD   LYS  71          2HD       LYS  71  11.731  14.652   4.267
  587   2HD   LYS  71          1HD       LYS  71  13.282  15.292   4.811
  588   1HE   LYS  71          2HE       LYS  71  13.704  13.091   5.975
  589   2HE   LYS  71          1HE       LYS  71  12.238  12.466   5.192
  590   1HZ   LYS  71          1HZ       LYS  71  13.167  13.187   3.048
  591   2HZ   LYS  71          2HZ       LYS  71  14.135  12.009   3.799
  592   3HZ   LYS  71          3HZ       LYS  71  14.602  13.643   3.828
  593    H    ASP  72           H        ASP  72   7.828  15.485   5.470
  594    HA   ASP  72           HA       ASP  72   8.708  18.162   4.612
  595   1HB   ASP  72          2HB       ASP  72   7.920  16.093   3.229
  596   2HB   ASP  72          1HB       ASP  72   6.295  16.653   3.629
  597    H    ILE  73           H        ILE  73   5.984  16.744   6.382
  598    HA   ILE  73           HA       ILE  73   4.226  19.006   6.235
  599    HB   ILE  73           HB       ILE  73   3.767  16.582   6.907
  600   1HG1  ILE  73          2HG1      ILE  73   2.160  17.461   8.836
  601   2HG1  ILE  73          1HG1      ILE  73   2.709  19.033   8.248
  602   1HG2  ILE  73          1HG2      ILE  73   4.481  17.507   9.690
  603   2HG2  ILE  73          2HG2      ILE  73   5.641  16.642   8.682
  604   3HG2  ILE  73          3HG2      ILE  73   4.122  15.871   9.136
  605   1HD1  ILE  73          1HD1      ILE  73   0.639  18.221   7.092
  606   2HD1  ILE  73          2HD1      ILE  73   1.568  16.856   6.473
  607   3HD1  ILE  73          3HD1      ILE  73   1.986  18.500   5.989
  608    H    ALA  74           H        ALA  74   7.149  18.536   8.036
  609    HA   ALA  74           HA       ALA  74   6.594  20.256  10.289
  610   1HB   ALA  74          1HB       ALA  74   9.180  19.504   8.880
  611   2HB   ALA  74          2HB       ALA  74   8.420  18.598  10.189
  612   3HB   ALA  74          3HB       ALA  74   9.073  20.208  10.493
  613    H    ALA  75           H        ALA  75   8.263  20.818   7.177
  614    HA   ALA  75           HA       ALA  75   8.402  23.726   7.678
  615   1HB   ALA  75          1HB       ALA  75   9.242  21.892   5.411
  616   2HB   ALA  75          2HB       ALA  75  10.284  22.581   6.657
  617   3HB   ALA  75          3HB       ALA  75   9.560  23.627   5.436
  618    H    TYR  76           H        TYR  76   6.419  21.428   5.921
  619    HA   TYR  76           HA       TYR  76   5.255  23.151   3.962
  620   1HB   TYR  76          2HB       TYR  76   5.121  20.640   4.132
  621   2HB   TYR  76          1HB       TYR  76   3.978  20.840   5.463
  622    HD1  TYR  76           1HD      TYR  76   1.750  21.831   5.075
  623    HD2  TYR  76           2HD      TYR  76   4.493  21.135   1.844
  624    HE1  TYR  76           1HE      TYR  76  -0.094  22.132   3.444
  625    HE2  TYR  76           2HE      TYR  76   2.650  21.434   0.213
  626    HH   TYR  76           HH       TYR  76  -0.663  21.585   1.186
  627    H    ARG  77           H        ARG  77   4.562  22.681   7.395
  628    HA   ARG  77           HA       ARG  77   2.025  24.082   7.426
  629   1HB   ARG  77          2HB       ARG  77   4.076  23.114   9.388
  630   2HB   ARG  77          1HB       ARG  77   2.838  24.236   9.956
  631   1HG   ARG  77          2HG       ARG  77   1.093  22.717   9.003
  632   2HG   ARG  77          1HG       ARG  77   2.367  21.567   8.596
  633   1HD   ARG  77          2HD       ARG  77   2.847  21.105  10.861
  634   2HD   ARG  77          1HD       ARG  77   2.067  22.599  11.422
  635    HE   ARG  77           HE       ARG  77   0.364  20.612  10.021
  636   1HH1  ARG  77          1HH2      ARG  77  -0.093  23.093  11.990
  637   2HH1  ARG  77          2HH2      ARG  77  -0.829  22.241  13.306
  638   1HH2  ARG  77          1HH1      ARG  77   0.047  19.106  12.114
  639   2HH2  ARG  77          2HH1      ARG  77  -0.750  19.983  13.376
  640    H    ALA  78           H        ALA  78   4.989  25.145   9.111
  641    HA   ALA  78           HA       ALA  78   5.912  27.294   9.409
  642   1HB   ALA  78          1HB       ALA  78   6.226  28.476   7.397
  643   2HB   ALA  78          2HB       ALA  78   4.636  28.029   6.779
  644   3HB   ALA  78          3HB       ALA  78   5.931  26.834   6.828
  645    H    LYS  79           H        LYS  79   4.777  28.251  11.080
  646    HA   LYS  79           HA       LYS  79   2.427  29.944  10.323
  647   1HB   LYS  79          2HB       LYS  79   2.640  27.660  12.166
  648   2HB   LYS  79          1HB       LYS  79   1.882  29.079  12.886
  649   1HG   LYS  79          2HG       LYS  79   0.267  29.187  11.052
  650   2HG   LYS  79          1HG       LYS  79   1.056  27.829  10.250
  651   1HD   LYS  79          2HD       LYS  79   0.607  26.505  12.407
  652   2HD   LYS  79          1HD       LYS  79  -0.486  27.817  12.847
  653   1HE   LYS  79          2HE       LYS  79  -1.396  27.391  10.359
  654   2HE   LYS  79          1HE       LYS  79  -0.773  25.763  10.698
  655   1HZ   LYS  79          1HZ       LYS  79  -1.985  25.726  12.759
  656   2HZ   LYS  79          2HZ       LYS  79  -3.069  26.079  11.498
  657   3HZ   LYS  79          3HZ       LYS  79  -2.526  27.316  12.528
  Start of MODEL    8
    1   1H    MET   1          1HT       MET   1  -7.761  10.679  -7.975
    2   2H    MET   1          2HT       MET   1  -6.512  11.240  -6.969
    3   3H    MET   1          3HT       MET   1  -6.595  11.748  -8.588
    4    HA   MET   1           HA       MET   1  -8.675  12.921  -8.138
    5   1HB   MET   1          2HB       MET   1  -9.187  11.168  -6.339
    6   2HB   MET   1          1HB       MET   1  -8.144  12.109  -5.270
    7   1HG   MET   1          2HG       MET   1  -9.567  14.124  -5.778
    8   2HG   MET   1          1HG       MET   1 -10.669  13.059  -6.651
    9   1HE   MET   1          1HE       MET   1 -10.253  13.811  -2.244
   10   2HE   MET   1          2HE       MET   1  -9.731  14.736  -3.649
   11   3HE   MET   1          3HE       MET   1  -8.778  13.357  -3.110
   12    H    LYS   2           H        LYS   2  -7.616  14.832  -8.603
   13    HA   LYS   2           HA       LYS   2  -5.521  15.818  -6.712
   14   1HB   LYS   2          2HB       LYS   2  -6.278  16.405  -9.584
   15   2HB   LYS   2          1HB       LYS   2  -5.106  17.383  -8.701
   16   1HG   LYS   2          2HG       LYS   2  -3.625  15.858  -9.551
   17   2HG   LYS   2          1HG       LYS   2  -4.141  14.914  -8.152
   18   1HD   LYS   2          2HD       LYS   2  -4.389  13.416  -9.961
   19   2HD   LYS   2          1HD       LYS   2  -6.022  14.029  -9.701
   20   1HE   LYS   2          2HE       LYS   2  -4.973  15.891 -11.456
   21   2HE   LYS   2          1HE       LYS   2  -4.245  14.370 -12.012
   22   1HZ   LYS   2          1HZ       LYS   2  -7.129  14.793 -11.432
   23   2HZ   LYS   2          2HZ       LYS   2  -6.425  13.334 -11.944
   24   3HZ   LYS   2          3HZ       LYS   2  -6.447  14.680 -12.980
   25    H    LYS   3           H        LYS   3  -5.766  17.860  -5.732
   26    HA   LYS   3           HA       LYS   3  -7.870  19.717  -6.422
   27   1HB   LYS   3          2HB       LYS   3  -9.100  17.799  -5.357
   28   2HB   LYS   3          1HB       LYS   3  -8.183  18.092  -3.880
   29   1HG   LYS   3          2HG       LYS   3  -9.122  20.301  -3.645
   30   2HG   LYS   3          1HG       LYS   3  -9.877  20.204  -5.236
   31   1HD   LYS   3          2HD       LYS   3 -11.211  18.238  -4.405
   32   2HD   LYS   3          1HD       LYS   3 -10.562  18.547  -2.794
   33   1HE   LYS   3          2HE       LYS   3 -11.635  20.684  -2.663
   34   2HE   LYS   3          1HE       LYS   3 -12.018  20.674  -4.396
   35   1HZ   LYS   3          1HZ       LYS   3 -13.004  18.682  -2.421
   36   2HZ   LYS   3          2HZ       LYS   3 -13.395  18.736  -4.072
   37   3HZ   LYS   3          3HZ       LYS   3 -13.919  19.972  -3.031
   38    H    LYS   4           H        LYS   4  -6.360  18.674  -3.343
   39    HA   LYS   4           HA       LYS   4  -5.780  21.352  -2.480
   40   1HB   LYS   4          2HB       LYS   4  -4.898  18.575  -1.684
   41   2HB   LYS   4          1HB       LYS   4  -4.289  20.004  -0.847
   42   1HG   LYS   4          2HG       LYS   4  -7.248  19.691  -1.256
   43   2HG   LYS   4          1HG       LYS   4  -6.454  18.797   0.042
   44   1HD   LYS   4          2HD       LYS   4  -6.005  21.759  -0.310
   45   2HD   LYS   4          1HD       LYS   4  -7.385  21.148   0.602
   46   1HE   LYS   4          2HE       LYS   4  -5.624  19.709   1.881
   47   2HE   LYS   4          1HE       LYS   4  -4.447  20.864   1.226
   48   1HZ   LYS   4          1HZ       LYS   4  -6.921  21.580   2.711
   49   2HZ   LYS   4          2HZ       LYS   4  -5.790  22.678   2.077
   50   3HZ   LYS   4          3HZ       LYS   4  -5.349  21.636   3.344
   51    H    ASP   5           H        ASP   5  -3.306  18.837  -2.995
   52    HA   ASP   5           HA       ASP   5  -1.790  20.562  -4.854
   53   1HB   ASP   5          2HB       ASP   5  -1.132  20.062  -1.966
   54   2HB   ASP   5          1HB       ASP   5   0.184  20.275  -3.122
   55    HA   PRO   6           HA       PRO   6  -0.866  16.305  -5.969
   56   1HB   PRO   6          2HB       PRO   6   0.724  16.828  -8.131
   57   2HB   PRO   6          1HB       PRO   6  -1.046  16.930  -8.189
   58   1HG   PRO   6          2HG       PRO   6   0.967  19.106  -7.940
   59   2HG   PRO   6          1HG       PRO   6  -0.550  19.069  -8.853
   60   1HD   PRO   6          2HD       PRO   6  -0.269  20.329  -6.451
   61   2HD   PRO   6          1HD       PRO   6  -1.809  19.668  -7.042
   62    H    ASN   7           H        ASN   7   1.642  18.819  -5.782
   63    HA   ASN   7           HA       ASN   7   3.820  16.907  -5.380
   64   1HB   ASN   7          2HB       ASN   7   5.121  18.996  -5.064
   65   2HB   ASN   7          1HB       ASN   7   4.105  19.081  -6.502
   66   1HD2  ASN   7          1HD2      ASN   7   4.465  20.287  -3.179
   67   2HD2  ASN   7          2HD2      ASN   7   3.342  21.552  -3.334
   68    H    ALA   8           H        ALA   8   1.375  18.080  -3.319
   69    HA   ALA   8           HA       ALA   8   3.103  17.918  -0.894
   70   1HB   ALA   8          1HB       ALA   8   1.558  19.874  -1.409
   71   2HB   ALA   8          2HB       ALA   8   1.306  19.123   0.167
   72   3HB   ALA   8          3HB       ALA   8   0.207  18.766  -1.165
   73    HA   PRO   9           HA       PRO   9   1.290  13.887  -0.241
   74   1HB   PRO   9          2HB       PRO   9   2.250  13.415   2.273
   75   2HB   PRO   9          1HB       PRO   9   3.260  13.294   0.819
   76   1HG   PRO   9          2HG       PRO   9   3.122  15.448   2.850
   77   2HG   PRO   9          1HG       PRO   9   4.503  14.858   1.918
   78   1HD   PRO   9          2HD       PRO   9   3.092  17.171   1.378
   79   2HD   PRO   9          1HD       PRO   9   4.113  16.301   0.215
   80    H    LYS  10           H        LYS  10  -0.931  14.710  -0.122
   81    HA   LYS  10           HA       LYS  10  -1.893  15.540   2.541
   82   1HB   LYS  10          2HB       LYS  10  -3.878  16.260   1.267
   83   2HB   LYS  10          1HB       LYS  10  -2.402  16.892   0.541
   84   1HG   LYS  10          2HG       LYS  10  -2.812  14.366  -0.661
   85   2HG   LYS  10          1HG       LYS  10  -4.396  15.137  -0.624
   86   1HD   LYS  10          2HD       LYS  10  -3.611  17.036  -1.838
   87   2HD   LYS  10          1HD       LYS  10  -1.924  16.573  -1.610
   88   1HE   LYS  10          2HE       LYS  10  -2.616  15.984  -3.891
   89   2HE   LYS  10          1HE       LYS  10  -2.383  14.490  -2.963
   90   1HZ   LYS  10          1HZ       LYS  10  -4.977  15.910  -3.257
   91   2HZ   LYS  10          2HZ       LYS  10  -4.720  14.428  -2.467
   92   3HZ   LYS  10          3HZ       LYS  10  -4.529  14.540  -4.151
   93    H    ARG  11           H        ARG  11  -1.170  12.732   1.914
   94    HA   ARG  11           HA       ARG  11  -3.506  11.425   3.055
   95   1HB   ARG  11          2HB       ARG  11  -4.059  11.851   0.599
   96   2HB   ARG  11          1HB       ARG  11  -2.786  10.694   0.207
   97   1HG   ARG  11          2HG       ARG  11  -4.022   8.903   0.887
   98   2HG   ARG  11          1HG       ARG  11  -4.715   9.776   2.255
   99   1HD   ARG  11          2HD       ARG  11  -5.895  11.108   0.189
  100   2HD   ARG  11          1HD       ARG  11  -5.755   9.481  -0.507
  101    HE   ARG  11           HE       ARG  11  -6.884   8.634   1.578
  102   1HH1  ARG  11          1HH2      ARG  11  -8.875  10.239   0.028
  103   2HH1  ARG  11          2HH2      ARG  11  -9.514  11.299   1.239
  104   1HH2  ARG  11          1HH1      ARG  11  -6.917  10.748   3.470
  105   2HH2  ARG  11          2HH1      ARG  11  -8.406  11.587   3.188
  106    HA   PRO  12           HA       PRO  12   0.363   9.116   3.766
  107   1HB   PRO  12          2HB       PRO  12  -0.285   8.219   6.263
  108   2HB   PRO  12          1HB       PRO  12   0.407   9.825   5.962
  109   1HG   PRO  12          2HG       PRO  12  -2.397   9.050   6.529
  110   2HG   PRO  12          1HG       PRO  12  -1.503  10.501   6.999
  111   1HD   PRO  12          2HD       PRO  12  -3.332  10.385   4.943
  112   2HD   PRO  12          1HD       PRO  12  -2.052  11.606   5.095
  113    HA   PRO  13           HA       PRO  13  -1.979   5.411   2.656
  114   1HB   PRO  13          2HB       PRO  13   0.059   4.103   1.393
  115   2HB   PRO  13          1HB       PRO  13  -0.875   5.401   0.627
  116   1HG   PRO  13          2HG       PRO  13   1.864   5.440   1.707
  117   2HG   PRO  13          1HG       PRO  13   1.137   6.420   0.429
  118   1HD   PRO  13          2HD       PRO  13   1.620   7.208   3.087
  119   2HD   PRO  13          1HD       PRO  13   0.658   8.086   1.880
  120    H    SER  14           H        SER  14  -1.687   3.028   3.166
  121    HA   SER  14           HA       SER  14   0.420   2.333   5.116
  122   1HB   SER  14          2HB       SER  14  -1.324   3.579   6.382
  123   2HB   SER  14          1HB       SER  14  -2.527   2.412   5.841
  124    HG   SER  14           HG       SER  14  -1.667   0.913   7.115
  125    H    ALA  15           H        ALA  15   0.143   1.101   2.696
  126    HA   ALA  15           HA       ALA  15  -0.006  -1.030   1.746
  127   1HB   ALA  15          1HB       ALA  15   0.504  -2.596   3.293
  128   2HB   ALA  15          2HB       ALA  15  -1.121  -2.506   3.968
  129   3HB   ALA  15          3HB       ALA  15   0.140  -1.423   4.557
  130    H    PHE  16           H        PHE  16  -2.696  -1.307   4.090
  131    HA   PHE  16           HA       PHE  16  -4.629  -2.368   2.388
  132   1HB   PHE  16          2HB       PHE  16  -4.641  -1.889   4.895
  133   2HB   PHE  16          1HB       PHE  16  -5.163  -0.257   4.480
  134    HD1  PHE  16           1HD      PHE  16  -6.023  -3.855   3.901
  135    HD2  PHE  16           2HD      PHE  16  -7.436   0.197   4.094
  136    HE1  PHE  16           1HE      PHE  16  -8.357  -4.655   3.645
  137    HE2  PHE  16           2HE      PHE  16  -9.768  -0.603   3.839
  138    HZ   PHE  16           HZ       PHE  16 -10.229  -3.030   3.613
  139    H    PHE  17           H        PHE  17  -4.136   1.123   3.042
  140    HA   PHE  17           HA       PHE  17  -6.150   2.131   1.304
  141   1HB   PHE  17          2HB       PHE  17  -3.959   3.080   2.900
  142   2HB   PHE  17          1HB       PHE  17  -3.845   3.853   1.322
  143    HD1  PHE  17           1HD      PHE  17  -5.624   3.723   4.464
  144    HD2  PHE  17           2HD      PHE  17  -5.891   5.039   0.383
  145    HE1  PHE  17           1HE      PHE  17  -7.477   5.253   5.078
  146    HE2  PHE  17           2HE      PHE  17  -7.743   6.568   0.998
  147    HZ   PHE  17           HZ       PHE  17  -8.537   6.675   3.345
  148    H    LEU  18           H        LEU  18  -2.749   1.295   0.672
  149    HA   LEU  18           HA       LEU  18  -2.565   2.210  -2.017
  150   1HB   LEU  18          2HB       LEU  18  -1.258  -0.203  -0.708
  151   2HB   LEU  18          1HB       LEU  18  -0.659   0.658  -2.121
  152    HG   LEU  18           HG       LEU  18  -0.905   1.774   0.695
  153   1HD1  LEU  18          1HD1      LEU  18   1.507   1.232  -1.056
  154   2HD1  LEU  18          2HD1      LEU  18   0.991   0.227   0.298
  155   3HD1  LEU  18          3HD1      LEU  18   1.535   1.880   0.584
  156   1HD2  LEU  18          1HD2      LEU  18  -0.317   3.048  -1.971
  157   2HD2  LEU  18          2HD2      LEU  18   0.459   3.676  -0.517
  158   3HD2  LEU  18          3HD2      LEU  18  -1.301   3.662  -0.643
  159    H    PHE  19           H        PHE  19  -3.434  -1.022  -0.747
  160    HA   PHE  19           HA       PHE  19  -3.936  -2.231  -3.311
  161   1HB   PHE  19          2HB       PHE  19  -3.484  -3.401  -1.150
  162   2HB   PHE  19          1HB       PHE  19  -5.064  -2.879  -0.567
  163    HD1  PHE  19           1HD      PHE  19  -3.282  -5.083  -2.916
  164    HD2  PHE  19           2HD      PHE  19  -7.128  -3.820  -1.477
  165    HE1  PHE  19           1HE      PHE  19  -4.339  -7.027  -4.035
  166    HE2  PHE  19           2HE      PHE  19  -8.184  -5.764  -2.597
  167    HZ   PHE  19           HZ       PHE  19  -6.789  -7.367  -3.876
  168    H    CYS  20           H        CYS  20  -6.181  -0.904  -0.850
  169    HA   CYS  20           HA       CYS  20  -8.583  -1.297  -2.370
  170   1HB   CYS  20          2HB       CYS  20  -7.658   0.279  -0.010
  171   2HB   CYS  20          1HB       CYS  20  -9.182   0.772  -0.746
  172    HG   CYS  20           HG       CYS  20  -8.665  -2.081   0.431
  173    H    SER  21           H        SER  21  -6.194   1.293  -2.301
  174    HA   SER  21           HA       SER  21  -7.688   3.290  -3.723
  175   1HB   SER  21          2HB       SER  21  -4.798   2.662  -3.189
  176   2HB   SER  21          1HB       SER  21  -5.209   3.970  -4.290
  177    HG   SER  21           HG       SER  21  -5.969   3.654  -1.576
  178    H    GLU  22           H        GLU  22  -6.031   0.393  -4.806
  179    HA   GLU  22           HA       GLU  22  -6.228   1.312  -7.643
  180   1HB   GLU  22          2HB       GLU  22  -4.606  -0.524  -8.035
  181   2HB   GLU  22          1HB       GLU  22  -4.029   0.604  -6.812
  182   1HG   GLU  22          2HG       GLU  22  -4.535  -0.895  -5.036
  183   2HG   GLU  22          1HG       GLU  22  -5.538  -1.907  -6.074
  184    H    TYR  23           H        TYR  23  -7.474  -1.116  -5.388
  185    HA   TYR  23           HA       TYR  23  -8.574  -2.812  -7.511
  186   1HB   TYR  23          2HB       TYR  23  -8.144  -2.830  -4.627
  187   2HB   TYR  23          1HB       TYR  23  -9.758  -3.413  -5.027
  188    HD1  TYR  23           1HD      TYR  23 -10.083  -5.567  -5.958
  189    HD2  TYR  23           2HD      TYR  23  -6.140  -3.866  -5.826
  190    HE1  TYR  23           1HE      TYR  23  -9.122  -7.738  -6.676
  191    HE2  TYR  23           2HE      TYR  23  -5.181  -6.037  -6.544
  192    HH   TYR  23           HH       TYR  23  -6.936  -8.925  -6.507
  193    H    ARG  24           H        ARG  24  -9.799  -0.289  -5.319
  194    HA   ARG  24           HA       ARG  24 -12.555  -0.582  -5.525
  195   1HB   ARG  24          2HB       ARG  24 -10.728   1.811  -5.451
  196   2HB   ARG  24          1HB       ARG  24 -12.483   1.996  -5.451
  197   1HG   ARG  24          2HG       ARG  24 -12.705   0.711  -3.431
  198   2HG   ARG  24          1HG       ARG  24 -11.009   0.235  -3.481
  199   1HD   ARG  24          2HD       ARG  24 -10.270   2.289  -2.707
  200   2HD   ARG  24          1HD       ARG  24 -11.623   3.167  -3.447
  201    HE   ARG  24           HE       ARG  24 -12.968   1.711  -1.629
  202   1HH1  ARG  24          1HH2      ARG  24 -11.917   4.587  -1.142
  203   2HH1  ARG  24          2HH2      ARG  24 -11.223   4.397   0.434
  204   1HH2  ARG  24          1HH1      ARG  24 -11.232   0.931   0.311
  205   2HH2  ARG  24          2HH1      ARG  24 -10.835   2.328   1.257
  206    HA   PRO  25           HA       PRO  25 -12.638   1.992  -9.651
  207   1HB   PRO  25          2HB       PRO  25 -10.331   1.893 -11.148
  208   2HB   PRO  25          1HB       PRO  25 -10.725   3.217 -10.031
  209   1HG   PRO  25          2HG       PRO  25  -9.000   0.815  -9.575
  210   2HG   PRO  25          1HG       PRO  25  -8.685   2.516  -9.176
  211   1HD   PRO  25          2HD       PRO  25  -9.492   0.836  -7.298
  212   2HD   PRO  25          1HD       PRO  25 -10.137   2.490  -7.345
  213    H    LYS  26           H        LYS  26 -10.776  -0.952  -9.233
  214    HA   LYS  26           HA       LYS  26 -11.419  -2.191 -11.777
  215   1HB   LYS  26          2HB       LYS  26  -9.626  -2.760  -9.982
  216   2HB   LYS  26          1HB       LYS  26 -10.946  -3.572  -9.133
  217   1HG   LYS  26          2HG       LYS  26 -10.400  -4.159 -12.038
  218   2HG   LYS  26          1HG       LYS  26  -9.492  -4.982 -10.769
  219   1HD   LYS  26          2HD       LYS  26 -11.808  -5.498  -9.728
  220   2HD   LYS  26          1HD       LYS  26 -12.457  -5.071 -11.311
  221   1HE   LYS  26          2HE       LYS  26 -11.118  -6.800 -12.389
  222   2HE   LYS  26          1HE       LYS  26 -10.310  -7.173 -10.854
  223   1HZ   LYS  26          1HZ       LYS  26 -12.437  -7.720  -9.880
  224   2HZ   LYS  26          2HZ       LYS  26 -12.196  -8.663 -11.272
  225   3HZ   LYS  26          3HZ       LYS  26 -13.241  -7.326 -11.321
  226    H    ILE  27           H        ILE  27 -12.785  -2.325  -8.501
  227    HA   ILE  27           HA       ILE  27 -14.898  -4.175  -8.933
  228    HB   ILE  27           HB       ILE  27 -14.782  -1.714  -7.145
  229   1HG1  ILE  27          2HG1      ILE  27 -12.834  -3.149  -6.754
  230   2HG1  ILE  27          1HG1      ILE  27 -13.953  -3.286  -5.407
  231   1HG2  ILE  27          1HG2      ILE  27 -16.308  -3.073  -5.688
  232   2HG2  ILE  27          2HG2      ILE  27 -16.436  -4.247  -6.998
  233   3HG2  ILE  27          3HG2      ILE  27 -17.029  -2.601  -7.227
  234   1HD1  ILE  27          1HD1      ILE  27 -13.380  -5.516  -5.864
  235   2HD1  ILE  27          2HD1      ILE  27 -13.416  -5.264  -7.610
  236   3HD1  ILE  27          3HD1      ILE  27 -14.923  -5.314  -6.695
  237    H    LYS  28           H        LYS  28 -14.692  -0.688  -9.513
  238    HA   LYS  28           HA       LYS  28 -17.498  -0.283 -10.002
  239   1HB   LYS  28          2HB       LYS  28 -15.357   1.424 -11.258
  240   2HB   LYS  28          1HB       LYS  28 -16.887   1.917 -10.552
  241   1HG   LYS  28          2HG       LYS  28 -14.293   1.270  -9.203
  242   2HG   LYS  28          1HG       LYS  28 -15.294   2.688  -9.011
  243   1HD   LYS  28          2HD       LYS  28 -15.824  -0.087  -7.891
  244   2HD   LYS  28          1HD       LYS  28 -15.436   1.371  -6.991
  245   1HE   LYS  28          2HE       LYS  28 -17.889   1.227  -8.767
  246   2HE   LYS  28          1HE       LYS  28 -17.927   0.742  -7.061
  247   1HZ   LYS  28          1HZ       LYS  28 -16.955   2.888  -6.477
  248   2HZ   LYS  28          2HZ       LYS  28 -18.439   3.092  -7.280
  249   3HZ   LYS  28          3HZ       LYS  28 -16.978   3.358  -8.106
  250    H    SER  29           H        SER  29 -14.756  -0.957 -12.174
  251    HA   SER  29           HA       SER  29 -16.044  -0.590 -14.672
  252   1HB   SER  29          2HB       SER  29 -13.606  -1.013 -14.176
  253   2HB   SER  29          1HB       SER  29 -14.007  -2.710 -13.924
  254    HG   SER  29           HG       SER  29 -13.909  -1.204 -16.258
  255    H    GLU  30           H        GLU  30 -16.350  -3.199 -12.345
  256    HA   GLU  30           HA       GLU  30 -18.043  -4.736 -14.287
  257   1HB   GLU  30          2HB       GLU  30 -15.977  -5.384 -12.305
  258   2HB   GLU  30          1HB       GLU  30 -17.426  -6.369 -12.115
  259   1HG   GLU  30          2HG       GLU  30 -16.183  -5.958 -14.830
  260   2HG   GLU  30          1HG       GLU  30 -15.592  -7.214 -13.743
  261    H    HIS  31           H        HIS  31 -17.976  -3.117 -11.192
  262    HA   HIS  31           HA       HIS  31 -20.812  -3.975 -10.701
  263   1HB   HIS  31          2HB       HIS  31 -18.738  -3.096  -8.662
  264   2HB   HIS  31          1HB       HIS  31 -20.314  -3.801  -8.329
  265    HD1  HIS  31           1HD      HIS  31 -16.824  -4.678  -9.254
  266    HD2  HIS  31           2HD      HIS  31 -20.488  -6.637  -8.912
  267    HE1  HIS  31           1HE      HIS  31 -16.315  -7.156  -9.297
  268    HA   PRO  32           HA       PRO  32 -20.921   0.539 -11.389
  269   1HB   PRO  32          2HB       PRO  32 -23.475   0.608 -12.365
  270   2HB   PRO  32          1HB       PRO  32 -22.064   0.240 -13.368
  271   1HG   PRO  32          2HG       PRO  32 -24.099  -1.588 -12.234
  272   2HG   PRO  32          1HG       PRO  32 -23.219  -1.683 -13.766
  273   1HD   PRO  32          2HD       PRO  32 -22.631  -3.166 -11.519
  274   2HD   PRO  32          1HD       PRO  32 -21.495  -2.831 -12.842
  275    H    GLY  33           H        GLY  33 -23.403  -1.538  -9.945
  276   1HA   GLY  33          2HA       GLY  33 -24.627   0.597  -8.401
  277   2HA   GLY  33          1HA       GLY  33 -24.923  -1.128  -8.201
  278    H    LEU  34           H        LEU  34 -21.803  -1.348  -8.002
  279    HA   LEU  34           HA       LEU  34 -21.583  -1.627  -5.194
  280   1HB   LEU  34          2HB       LEU  34 -19.961  -1.839  -7.564
  281   2HB   LEU  34          1HB       LEU  34 -19.027  -1.011  -6.327
  282    HG   LEU  34           HG       LEU  34 -18.762  -3.499  -6.276
  283   1HD1  LEU  34          1HD1      LEU  34 -19.664  -3.557  -3.724
  284   2HD1  LEU  34          2HD1      LEU  34 -19.683  -1.818  -4.017
  285   3HD1  LEU  34          3HD1      LEU  34 -18.187  -2.730  -4.213
  286   1HD2  LEU  34          1HD2      LEU  34 -21.395  -3.871  -4.970
  287   2HD2  LEU  34          2HD2      LEU  34 -20.522  -4.940  -6.069
  288   3HD2  LEU  34          3HD2      LEU  34 -21.464  -3.593  -6.711
  289    H    SER  35           H        SER  35 -22.518   0.409  -4.349
  290    HA   SER  35           HA       SER  35 -21.191   2.970  -4.787
  291   1HB   SER  35          2HB       SER  35 -23.070   2.047  -2.589
  292   2HB   SER  35          1HB       SER  35 -22.761   3.714  -3.063
  293    HG   SER  35           HG       SER  35 -24.051   3.469  -4.712
  294    H    ILE  36           H        ILE  36 -20.346   4.181  -2.731
  295    HA   ILE  36           HA       ILE  36 -17.987   2.972  -1.748
  296    HB   ILE  36           HB       ILE  36 -19.749   5.147  -0.567
  297   1HG1  ILE  36          2HG1      ILE  36 -18.982   5.603  -2.872
  298   2HG1  ILE  36          1HG1      ILE  36 -18.179   6.672  -1.725
  299   1HG2  ILE  36          1HG2      ILE  36 -17.516   5.898   0.445
  300   2HG2  ILE  36          2HG2      ILE  36 -16.914   4.289   0.051
  301   3HG2  ILE  36          3HG2      ILE  36 -18.261   4.474   1.173
  302   1HD1  ILE  36          1HD1      ILE  36 -16.485   5.862  -3.228
  303   2HD1  ILE  36          2HD1      ILE  36 -17.033   4.196  -3.043
  304   3HD1  ILE  36          3HD1      ILE  36 -16.251   5.022  -1.696
  305    H    GLY  37           H        GLY  37 -21.288   2.773  -0.546
  306   1HA   GLY  37          2HA       GLY  37 -20.771   1.821   2.088
  307   2HA   GLY  37          1HA       GLY  37 -22.230   1.465   1.160
  308    H    ASP  38           H        ASP  38 -21.896  -0.236  -0.611
  309    HA   ASP  38           HA       ASP  38 -20.885  -2.668   0.564
  310   1HB   ASP  38          2HB       ASP  38 -22.752  -2.288  -1.158
  311   2HB   ASP  38          1HB       ASP  38 -21.467  -2.138  -2.359
  312    H    THR  39           H        THR  39 -19.522  -0.327  -1.704
  313    HA   THR  39           HA       THR  39 -17.306  -1.924  -2.627
  314    HB   THR  39           HB       THR  39 -17.691   1.077  -2.357
  315    HG1  THR  39           1HG      THR  39 -18.480   0.938  -4.385
  316   1HG2  THR  39          1HG2      THR  39 -15.962   1.127  -4.216
  317   2HG2  THR  39          2HG2      THR  39 -15.639  -0.570  -3.858
  318   3HG2  THR  39          3HG2      THR  39 -15.338   0.662  -2.633
  319    H    ALA  40           H        ALA  40 -17.851   0.034   0.247
  320    HA   ALA  40           HA       ALA  40 -15.073   0.129   1.099
  321   1HB   ALA  40          1HB       ALA  40 -16.721   1.759   1.849
  322   2HB   ALA  40          2HB       ALA  40 -16.175   0.842   3.254
  323   3HB   ALA  40          3HB       ALA  40 -17.735   0.480   2.515
  324    H    LYS  41           H        LYS  41 -17.888  -1.893   1.948
  325    HA   LYS  41           HA       LYS  41 -16.259  -3.594   3.700
  326   1HB   LYS  41          2HB       LYS  41 -18.401  -4.652   4.183
  327   2HB   LYS  41          1HB       LYS  41 -18.597  -2.903   4.201
  328   1HG   LYS  41          2HG       LYS  41 -19.292  -3.165   1.714
  329   2HG   LYS  41          1HG       LYS  41 -19.485  -4.873   2.097
  330   1HD   LYS  41          2HD       LYS  41 -21.629  -3.809   2.417
  331   2HD   LYS  41          1HD       LYS  41 -20.980  -4.196   4.010
  332   1HE   LYS  41          2HE       LYS  41 -19.959  -1.644   3.510
  333   2HE   LYS  41          1HE       LYS  41 -21.610  -1.576   2.864
  334   1HZ   LYS  41          1HZ       LYS  41 -20.831  -2.596   5.546
  335   2HZ   LYS  41          2HZ       LYS  41 -22.410  -2.591   4.917
  336   3HZ   LYS  41          3HZ       LYS  41 -21.616  -1.123   5.236
  337    H    LYS  42           H        LYS  42 -17.043  -3.599   0.312
  338    HA   LYS  42           HA       LYS  42 -16.877  -6.527   0.028
  339   1HB   LYS  42          2HB       LYS  42 -18.346  -5.030  -1.343
  340   2HB   LYS  42          1HB       LYS  42 -16.902  -4.274  -2.009
  341   1HG   LYS  42          2HG       LYS  42 -17.829  -6.010  -3.521
  342   2HG   LYS  42          1HG       LYS  42 -16.203  -6.416  -2.986
  343   1HD   LYS  42          2HD       LYS  42 -16.913  -8.219  -1.766
  344   2HD   LYS  42          1HD       LYS  42 -18.398  -7.415  -1.260
  345   1HE   LYS  42          2HE       LYS  42 -19.587  -8.188  -3.068
  346   2HE   LYS  42          1HE       LYS  42 -18.189  -8.086  -4.157
  347   1HZ   LYS  42          1HZ       LYS  42 -18.655 -10.390  -3.676
  348   2HZ   LYS  42          2HZ       LYS  42 -18.606 -10.094  -2.004
  349   3HZ   LYS  42          3HZ       LYS  42 -17.193  -9.954  -2.936
  350    H    LEU  43           H        LEU  43 -14.565  -4.314   0.751
  351    HA   LEU  43           HA       LEU  43 -12.522  -5.359  -1.157
  352   1HB   LEU  43          2HB       LEU  43 -12.863  -2.959   0.611
  353   2HB   LEU  43          1HB       LEU  43 -11.231  -3.455   0.168
  354    HG   LEU  43           HG       LEU  43 -13.371  -3.172  -1.934
  355   1HD1  LEU  43          1HD1      LEU  43 -12.896  -1.065  -0.365
  356   2HD1  LEU  43          2HD1      LEU  43 -13.090  -0.885  -2.108
  357   3HD1  LEU  43          3HD1      LEU  43 -11.476  -0.923  -1.400
  358   1HD2  LEU  43          1HD2      LEU  43 -11.307  -4.287  -2.589
  359   2HD2  LEU  43          2HD2      LEU  43 -10.342  -2.982  -1.899
  360   3HD2  LEU  43          3HD2      LEU  43 -11.338  -2.684  -3.323
  361    H    GLY  44           H        GLY  44 -13.485  -5.308   2.229
  362   1HA   GLY  44          2HA       GLY  44 -11.021  -6.379   3.298
  363   2HA   GLY  44          1HA       GLY  44 -12.583  -6.373   4.120
  364    H    GLU  45           H        GLU  45 -13.907  -7.760   1.850
  365    HA   GLU  45           HA       GLU  45 -13.756 -10.454   2.703
  366   1HB   GLU  45          2HB       GLU  45 -15.400  -9.093   1.148
  367   2HB   GLU  45          1HB       GLU  45 -14.369  -9.710  -0.145
  368   1HG   GLU  45          2HG       GLU  45 -16.036 -11.362   0.046
  369   2HG   GLU  45          1HG       GLU  45 -14.702 -12.023   0.992
  370    H    MET  46           H        MET  46 -12.203  -8.947  -0.152
  371    HA   MET  46           HA       MET  46 -10.693 -11.334  -0.854
  372   1HB   MET  46          2HB       MET  46 -10.534  -8.399  -1.610
  373   2HB   MET  46          1HB       MET  46  -9.549  -9.650  -2.371
  374   1HG   MET  46          2HG       MET  46 -12.553  -9.892  -2.228
  375   2HG   MET  46          1HG       MET  46 -11.764  -9.015  -3.539
  376   1HE   MET  46          1HE       MET  46 -11.837 -12.721  -1.741
  377   2HE   MET  46          2HE       MET  46 -12.666 -13.276  -3.191
  378   3HE   MET  46          3HE       MET  46 -13.250 -11.847  -2.344
  379    H    TRP  47           H        TRP  47  -9.811  -8.186   0.612
  380    HA   TRP  47           HA       TRP  47  -7.068  -8.596   1.068
  381   1HB   TRP  47          2HB       TRP  47  -8.496  -6.546   1.479
  382   2HB   TRP  47          1HB       TRP  47  -9.029  -7.298   2.983
  383    HD1  TRP  47           HD       TRP  47  -7.634  -6.711   5.015
  384    HE1  TRP  47           1HE      TRP  47  -5.229  -5.878   5.433
  385    HE3  TRP  47           3HE      TRP  47  -5.856  -6.711   0.228
  386    HZ2  TRP  47           2HZ      TRP  47  -2.865  -5.290   3.934
  387    HZ3  TRP  47           3HZ      TRP  47  -3.526  -6.012  -0.249
  388    HH2  TRP  47           HH       TRP  47  -2.030  -5.302   1.597
  389    H    SER  48           H        SER  48  -9.633  -9.217   3.509
  390    HA   SER  48           HA       SER  48  -7.955 -10.576   5.379
  391   1HB   SER  48          2HB       SER  48 -10.184  -9.627   5.861
  392   2HB   SER  48          1HB       SER  48 -10.928 -10.826   4.808
  393    HG   SER  48           HG       SER  48 -10.737 -12.258   6.338
  394    H    GLU  49           H        GLU  49  -9.767 -11.743   2.569
  395    HA   GLU  49           HA       GLU  49  -9.653 -14.548   3.051
  396   1HB   GLU  49          2HB       GLU  49  -9.999 -12.683   0.773
  397   2HB   GLU  49          1HB       GLU  49  -9.482 -14.311   0.334
  398   1HG   GLU  49          2HG       GLU  49 -11.823 -13.758   2.173
  399   2HG   GLU  49          1HG       GLU  49 -11.994 -13.988   0.432
  400    H    GLN  50           H        GLN  50  -7.294 -12.359   1.528
  401    HA   GLN  50           HA       GLN  50  -5.417 -14.348   0.660
  402   1HB   GLN  50          2HB       GLN  50  -5.073 -11.460   1.530
  403   2HB   GLN  50          1HB       GLN  50  -3.873 -12.386   0.626
  404   1HG   GLN  50          2HG       GLN  50  -6.049 -12.819  -0.928
  405   2HG   GLN  50          1HG       GLN  50  -6.450 -11.226  -0.289
  406   1HE2  GLN  50          1HE2      GLN  50  -3.676 -12.966  -1.806
  407   2HE2  GLN  50          2HE2      GLN  50  -3.094 -11.608  -2.643
  408    H    SER  51           H        SER  51  -3.282 -14.757   1.649
  409    HA   SER  51           HA       SER  51  -3.497 -15.106   4.597
  410   1HB   SER  51          2HB       SER  51  -1.747 -16.754   4.225
  411   2HB   SER  51          1HB       SER  51  -2.962 -16.970   2.968
  412    HG   SER  51           HG       SER  51  -0.654 -16.859   2.319
  413    H    ALA  52           H        ALA  52  -0.481 -15.227   4.753
  414    HA   ALA  52           HA       ALA  52  -0.024 -12.349   5.196
  415   1HB   ALA  52          1HB       ALA  52   1.601 -14.873   5.648
  416   2HB   ALA  52          2HB       ALA  52   0.672 -13.986   6.857
  417   3HB   ALA  52          3HB       ALA  52   2.121 -13.267   6.154
  418    H    LYS  53           H        LYS  53  -0.346 -12.672   2.475
  419    HA   LYS  53           HA       LYS  53   2.456 -12.525   1.408
  420   1HB   LYS  53          2HB       LYS  53   0.601 -14.432   0.849
  421   2HB   LYS  53          1HB       LYS  53   0.185 -13.232  -0.374
  422   1HG   LYS  53          2HG       LYS  53   1.817 -14.615  -1.410
  423   2HG   LYS  53          1HG       LYS  53   2.689 -13.159  -0.930
  424   1HD   LYS  53          2HD       LYS  53   3.630 -14.239   0.986
  425   2HD   LYS  53          1HD       LYS  53   2.544 -15.619   0.823
  426   1HE   LYS  53          2HE       LYS  53   4.662 -16.335  -0.068
  427   2HE   LYS  53          1HE       LYS  53   3.636 -16.007  -1.479
  428   1HZ   LYS  53          1HZ       LYS  53   5.574 -14.127  -0.233
  429   2HZ   LYS  53          2HZ       LYS  53   4.516 -13.727  -1.501
  430   3HZ   LYS  53          3HZ       LYS  53   5.740 -14.881  -1.744
  431    H    ASP  54           H        ASP  54  -0.912 -11.423   1.009
  432    HA   ASP  54           HA       ASP  54  -0.427  -9.399  -0.948
  433   1HB   ASP  54          2HB       ASP  54  -2.628  -8.549  -0.150
  434   2HB   ASP  54          1HB       ASP  54  -2.638 -10.298  -0.370
  435    H    LYS  55           H        LYS  55  -0.268  -9.293   2.619
  436    HA   LYS  55           HA       LYS  55   0.333  -6.401   2.579
  437   1HB   LYS  55          2HB       LYS  55  -1.168  -7.484   4.244
  438   2HB   LYS  55          1HB       LYS  55   0.203  -8.423   4.836
  439   1HG   LYS  55          2HG       LYS  55   1.246  -6.562   5.768
  440   2HG   LYS  55          1HG       LYS  55   0.435  -5.435   4.679
  441   1HD   LYS  55          2HD       LYS  55  -1.627  -5.619   5.862
  442   2HD   LYS  55          1HD       LYS  55  -1.068  -7.030   6.761
  443   1HE   LYS  55          2HE       LYS  55  -0.682  -5.417   8.378
  444   2HE   LYS  55          1HE       LYS  55   0.848  -5.261   7.491
  445   1HZ   LYS  55          1HZ       LYS  55  -1.633  -3.739   6.885
  446   2HZ   LYS  55          2HZ       LYS  55  -0.132  -3.570   6.104
  447   3HZ   LYS  55          3HZ       LYS  55  -0.302  -3.116   7.733
  448    H    GLN  56           H        GLN  56   2.268  -8.681   1.574
  449    HA   GLN  56           HA       GLN  56   4.539  -8.229   3.431
  450   1HB   GLN  56          2HB       GLN  56   3.720 -10.192   1.402
  451   2HB   GLN  56          1HB       GLN  56   5.433  -9.787   1.326
  452   1HG   GLN  56          2HG       GLN  56   5.279 -10.082   3.957
  453   2HG   GLN  56          1HG       GLN  56   3.887 -11.081   3.540
  454   1HE2  GLN  56          1HE2      GLN  56   4.579 -12.477   1.333
  455   2HE2  GLN  56          2HE2      GLN  56   6.014 -13.355   1.557
  456    HA   PRO  57           HA       PRO  57   6.340  -6.223  -0.442
  457   1HB   PRO  57          2HB       PRO  57   5.010  -6.223  -2.810
  458   2HB   PRO  57          1HB       PRO  57   6.032  -7.578  -2.291
  459   1HG   PRO  57          2HG       PRO  57   3.099  -7.338  -2.333
  460   2HG   PRO  57          1HG       PRO  57   4.112  -8.769  -2.535
  461   1HD   PRO  57          2HD       PRO  57   2.721  -8.036  -0.225
  462   2HD   PRO  57          1HD       PRO  57   4.008  -9.252  -0.338
  463    H    TYR  58           H        TYR  58   2.823  -5.911  -0.297
  464    HA   TYR  58           HA       TYR  58   2.793  -3.124  -1.196
  465   1HB   TYR  58          2HB       TYR  58   0.825  -5.144  -0.143
  466   2HB   TYR  58          1HB       TYR  58   0.341  -3.463  -0.373
  467    HD1  TYR  58           1HD      TYR  58   1.039  -6.623  -1.988
  468    HD2  TYR  58           2HD      TYR  58   0.643  -2.399  -2.660
  469    HE1  TYR  58           1HE      TYR  58   0.762  -7.035  -4.418
  470    HE2  TYR  58           2HE      TYR  58   0.365  -2.811  -5.089
  471    HH   TYR  58           HH       TYR  58   1.265  -5.229  -6.656
  472    H    GLU  59           H        GLU  59   3.801  -4.414   1.717
  473    HA   GLU  59           HA       GLU  59   2.520  -2.325   3.399
  474   1HB   GLU  59          2HB       GLU  59   3.394  -3.651   5.242
  475   2HB   GLU  59          1HB       GLU  59   2.649  -4.732   4.074
  476   1HG   GLU  59          2HG       GLU  59   4.625  -5.878   4.288
  477   2HG   GLU  59          1HG       GLU  59   5.189  -4.690   3.113
  478    H    GLN  60           H        GLN  60   5.554  -3.019   1.819
  479    HA   GLN  60           HA       GLN  60   7.134  -1.197   3.489
  480   1HB   GLN  60          2HB       GLN  60   8.895  -1.759   1.825
  481   2HB   GLN  60          1HB       GLN  60   8.105  -3.202   2.454
  482   1HG   GLN  60          2HG       GLN  60   6.897  -3.554   0.471
  483   2HG   GLN  60          1HG       GLN  60   7.119  -1.894  -0.075
  484   1HE2  GLN  60          1HE2      GLN  60   9.535  -1.290  -0.493
  485   2HE2  GLN  60          2HE2      GLN  60  10.506  -2.489  -1.200
  486    H    LYS  61           H        LYS  61   5.227  -1.008   0.560
  487    HA   LYS  61           HA       LYS  61   6.371   1.334  -0.628
  488   1HB   LYS  61          2HB       LYS  61   4.753  -0.234  -1.686
  489   2HB   LYS  61          1HB       LYS  61   3.501   0.335  -0.582
  490   1HG   LYS  61          2HG       LYS  61   3.547   2.539  -1.519
  491   2HG   LYS  61          1HG       LYS  61   5.020   2.191  -2.427
  492   1HD   LYS  61          2HD       LYS  61   3.852   0.618  -3.845
  493   2HD   LYS  61          1HD       LYS  61   2.395   0.739  -2.856
  494   1HE   LYS  61          2HE       LYS  61   2.437   3.264  -3.423
  495   2HE   LYS  61          1HE       LYS  61   3.578   2.816  -4.706
  496   1HZ   LYS  61          1HZ       LYS  61   2.009   1.169  -5.499
  497   2HZ   LYS  61          2HZ       LYS  61   1.277   2.702  -5.485
  498   3HZ   LYS  61          3HZ       LYS  61   0.914   1.572  -4.268
  499    H    ALA  62           H        ALA  62   3.716   0.946   1.737
  500    HA   ALA  62           HA       ALA  62   3.249   3.801   2.013
  501   1HB   ALA  62          1HB       ALA  62   2.299   1.238   3.127
  502   2HB   ALA  62          2HB       ALA  62   1.380   2.675   2.679
  503   3HB   ALA  62          3HB       ALA  62   2.194   2.600   4.242
  504    H    ALA  63           H        ALA  63   5.717   1.745   3.200
  505    HA   ALA  63           HA       ALA  63   6.153   3.209   5.720
  506   1HB   ALA  63          1HB       ALA  63   8.019   1.620   5.918
  507   2HB   ALA  63          2HB       ALA  63   7.805   1.137   4.236
  508   3HB   ALA  63          3HB       ALA  63   6.557   0.767   5.425
  509    H    LYS  64           H        LYS  64   6.714   3.975   2.505
  510    HA   LYS  64           HA       LYS  64   9.332   5.310   3.016
  511   1HB   LYS  64          2HB       LYS  64   7.726   4.482   0.587
  512   2HB   LYS  64          1HB       LYS  64   9.133   5.532   0.461
  513   1HG   LYS  64          2HG       LYS  64   9.218   2.849   1.851
  514   2HG   LYS  64          1HG       LYS  64   9.578   3.039   0.134
  515   1HD   LYS  64          2HD       LYS  64  10.980   4.894   1.990
  516   2HD   LYS  64          1HD       LYS  64  11.481   3.205   2.040
  517   1HE   LYS  64          2HE       LYS  64  12.790   3.708   0.242
  518   2HE   LYS  64          1HE       LYS  64  11.285   3.746  -0.696
  519   1HZ   LYS  64          1HZ       LYS  64  12.443   6.032   0.811
  520   2HZ   LYS  64          2HZ       LYS  64  10.990   6.063  -0.068
  521   3HZ   LYS  64          3HZ       LYS  64  12.469   5.854  -0.875
  522    H    LEU  65           H        LEU  65   5.965   5.820   2.187
  523    HA   LEU  65           HA       LEU  65   6.277   8.687   1.628
  524   1HB   LEU  65          2HB       LEU  65   4.046   6.670   1.782
  525   2HB   LEU  65          1HB       LEU  65   3.675   8.391   1.682
  526    HG   LEU  65           HG       LEU  65   5.359   8.387  -0.314
  527   1HD1  LEU  65          1HD1      LEU  65   6.292   6.209  -0.153
  528   2HD1  LEU  65          2HD1      LEU  65   5.172   6.116  -1.513
  529   3HD1  LEU  65          3HD1      LEU  65   4.709   5.460   0.057
  530   1HD2  LEU  65          1HD2      LEU  65   3.541   7.985  -1.841
  531   2HD2  LEU  65          2HD2      LEU  65   2.836   8.681  -0.383
  532   3HD2  LEU  65          3HD2      LEU  65   2.718   6.946  -0.678
  533    H    LYS  66           H        LYS  66   6.108   6.797   4.464
  534    HA   LYS  66           HA       LYS  66   4.540   8.666   6.089
  535   1HB   LYS  66          2HB       LYS  66   4.913   6.083   6.297
  536   2HB   LYS  66          1HB       LYS  66   6.426   6.532   7.084
  537   1HG   LYS  66          2HG       LYS  66   5.345   7.548   8.884
  538   2HG   LYS  66          1HG       LYS  66   3.864   7.825   7.967
  539   1HD   LYS  66          2HD       LYS  66   3.366   6.036   9.470
  540   2HD   LYS  66          1HD       LYS  66   3.598   5.285   7.891
  541   1HE   LYS  66          2HE       LYS  66   5.879   4.638   8.475
  542   2HE   LYS  66          1HE       LYS  66   5.756   5.501  10.022
  543   1HZ   LYS  66          1HZ       LYS  66   4.005   3.266   9.139
  544   2HZ   LYS  66          2HZ       LYS  66   3.864   4.110  10.606
  545   3HZ   LYS  66          3HZ       LYS  66   5.234   3.152  10.301
  546    H    GLU  67           H        GLU  67   7.909   8.127   5.228
  547    HA   GLU  67           HA       GLU  67   8.952   9.899   7.339
  548   1HB   GLU  67          2HB       GLU  67  10.042   8.299   5.025
  549   2HB   GLU  67          1HB       GLU  67  11.073   9.442   5.889
  550   1HG   GLU  67          2HG       GLU  67  10.492   8.293   8.026
  551   2HG   GLU  67          1HG       GLU  67   9.569   7.105   7.104
  552    H    LYS  68           H        LYS  68   7.454  10.373   4.334
  553    HA   LYS  68           HA       LYS  68   8.952  12.898   3.774
  554   1HB   LYS  68          2HB       LYS  68   7.119  11.081   2.186
  555   2HB   LYS  68          1HB       LYS  68   7.606  12.670   1.595
  556   1HG   LYS  68          2HG       LYS  68   9.587  10.555   2.468
  557   2HG   LYS  68          1HG       LYS  68   9.057  10.750   0.796
  558   1HD   LYS  68          2HD       LYS  68   9.792  13.157   0.925
  559   2HD   LYS  68          1HD       LYS  68  10.492  12.800   2.504
  560   1HE   LYS  68          2HE       LYS  68  11.216  11.060   0.156
  561   2HE   LYS  68          1HE       LYS  68  12.025  12.625   0.373
  562   1HZ   LYS  68          1HZ       LYS  68  13.195  10.900   1.593
  563   2HZ   LYS  68          2HZ       LYS  68  11.774  10.494   2.431
  564   3HZ   LYS  68          3HZ       LYS  68  12.501  12.010   2.671
  565    H    TYR  69           H        TYR  69   5.781  11.505   4.443
  566    HA   TYR  69           HA       TYR  69   4.295  14.007   4.232
  567   1HB   TYR  69          2HB       TYR  69   3.269  11.820   3.854
  568   2HB   TYR  69          1HB       TYR  69   3.738  11.282   5.464
  569    HD1  TYR  69           1HD      TYR  69   2.027  14.315   4.035
  570    HD2  TYR  69           2HD      TYR  69   1.964  11.168   6.955
  571    HE1  TYR  69           1HE      TYR  69  -0.094  15.212   4.953
  572    HE2  TYR  69           2HE      TYR  69  -0.157  12.064   7.875
  573    HH   TYR  69           HH       TYR  69  -1.309  14.377   7.919
  574    H    GLU  70           H        GLU  70   5.142  11.916   7.014
  575    HA   GLU  70           HA       GLU  70   4.351  13.690   9.084
  576   1HB   GLU  70          2HB       GLU  70   6.436  11.511   8.859
  577   2HB   GLU  70          1HB       GLU  70   6.080  12.309  10.392
  578   1HG   GLU  70          2HG       GLU  70   3.609  11.737   9.899
  579   2HG   GLU  70          1HG       GLU  70   4.247  10.620   8.691
  580    H    LYS  71           H        LYS  71   7.142  13.855   6.994
  581    HA   LYS  71           HA       LYS  71   8.512  15.768   8.829
  582   1HB   LYS  71          2HB       LYS  71   9.270  14.112   6.427
  583   2HB   LYS  71          1HB       LYS  71  10.310  15.427   6.977
  584   1HG   LYS  71          2HG       LYS  71   9.315  13.302   8.878
  585   2HG   LYS  71          1HG       LYS  71  10.787  13.079   7.931
  586   1HD   LYS  71          2HD       LYS  71  11.506  15.382   8.852
  587   2HD   LYS  71          1HD       LYS  71  10.214  15.167  10.034
  588   1HE   LYS  71          2HE       LYS  71  12.354  13.066   9.572
  589   2HE   LYS  71          1HE       LYS  71  12.502  14.341  10.800
  590   1HZ   LYS  71          1HZ       LYS  71  10.378  13.672  11.719
  591   2HZ   LYS  71          2HZ       LYS  71  11.442  12.348  11.708
  592   3HZ   LYS  71          3HZ       LYS  71  10.211  12.462  10.541
  593    H    ASP  72           H        ASP  72   6.788  15.632   5.765
  594    HA   ASP  72           HA       ASP  72   7.665  18.387   5.054
  595   1HB   ASP  72          2HB       ASP  72   7.641  16.444   3.442
  596   2HB   ASP  72          1HB       ASP  72   5.882  16.441   3.567
  597    H    ILE  73           H        ILE  73   4.709  16.576   5.902
  598    HA   ILE  73           HA       ILE  73   2.906  18.784   5.426
  599    HB   ILE  73           HB       ILE  73   2.470  16.251   5.546
  600   1HG1  ILE  73          2HG1      ILE  73   0.184  16.721   6.723
  601   2HG1  ILE  73          1HG1      ILE  73   0.763  18.386   6.791
  602   1HG2  ILE  73          1HG2      ILE  73   1.866  16.650   8.448
  603   2HG2  ILE  73          2HG2      ILE  73   3.529  16.284   7.989
  604   3HG2  ILE  73          3HG2      ILE  73   2.232  15.164   7.571
  605   1HD1  ILE  73          1HD1      ILE  73  -0.607  17.680   4.708
  606   2HD1  ILE  73          2HD1      ILE  73   0.849  16.815   4.218
  607   3HD1  ILE  73          3HD1      ILE  73   0.895  18.564   4.440
  608    H    ALA  74           H        ALA  74   4.914  17.849   8.142
  609    HA   ALA  74           HA       ALA  74   3.608  19.265  10.253
  610   1HB   ALA  74          1HB       ALA  74   5.460  17.603  10.460
  611   2HB   ALA  74          2HB       ALA  74   5.809  19.097  11.330
  612   3HB   ALA  74          3HB       ALA  74   6.569  18.787   9.768
  613    H    ALA  75           H        ALA  75   6.143  20.307   7.963
  614    HA   ALA  75           HA       ALA  75   6.096  23.071   8.984
  615   1HB   ALA  75          1HB       ALA  75   8.183  22.025   8.292
  616   2HB   ALA  75          2HB       ALA  75   7.816  23.334   7.168
  617   3HB   ALA  75          3HB       ALA  75   7.512  21.659   6.701
  618    H    TYR  76           H        TYR  76   4.449  21.234   6.543
  619    HA   TYR  76           HA       TYR  76   3.865  23.498   4.775
  620   1HB   TYR  76          2HB       TYR  76   4.080  21.065   4.121
  621   2HB   TYR  76          1HB       TYR  76   2.569  20.761   4.981
  622    HD1  TYR  76           1HD      TYR  76   4.089  22.745   2.212
  623    HD2  TYR  76           2HD      TYR  76   0.470  21.258   3.987
  624    HE1  TYR  76           1HE      TYR  76   2.807  23.491   0.224
  625    HE2  TYR  76           2HE      TYR  76  -0.811  22.004   1.999
  626    HH   TYR  76           HH       TYR  76   0.600  22.812  -0.899
  627    H    ARG  77           H        ARG  77   2.293  21.816   7.457
  628    HA   ARG  77           HA       ARG  77  -0.159  23.484   7.138
  629   1HB   ARG  77          2HB       ARG  77   0.615  20.972   8.609
  630   2HB   ARG  77          1HB       ARG  77  -0.856  21.844   9.045
  631   1HG   ARG  77          2HG       ARG  77  -1.497  21.761   6.585
  632   2HG   ARG  77          1HG       ARG  77  -0.156  20.637   6.359
  633   1HD   ARG  77          2HD       ARG  77  -1.167  18.965   7.671
  634   2HD   ARG  77          1HD       ARG  77  -2.228  20.126   8.495
  635    HE   ARG  77           HE       ARG  77  -2.536  19.750   5.556
  636   1HH1  ARG  77          1HH2      ARG  77  -3.578  17.837   7.939
  637   2HH1  ARG  77          2HH2      ARG  77  -5.259  18.242   7.855
  638   1HH2  ARG  77          1HH1      ARG  77  -4.765  20.993   5.802
  639   2HH2  ARG  77          2HH1      ARG  77  -5.932  20.029   6.645
  640    H    ALA  78           H        ALA  78   2.780  23.798   8.701
  641    HA   ALA  78           HA       ALA  78   1.955  24.597  11.358
  642   1HB   ALA  78          1HB       ALA  78   4.406  25.334   9.722
  643   2HB   ALA  78          2HB       ALA  78   4.237  23.852  10.665
  644   3HB   ALA  78          3HB       ALA  78   4.266  25.416  11.478
  645    H    LYS  79           H        LYS  79   0.089  26.001  10.603
  646    HA   LYS  79           HA       LYS  79   0.657  28.517   9.238
  647   1HB   LYS  79          2HB       LYS  79  -1.609  27.013  10.351
  648   2HB   LYS  79          1HB       LYS  79  -1.786  28.759  10.512
  649   1HG   LYS  79          2HG       LYS  79  -2.727  28.212   8.388
  650   2HG   LYS  79          1HG       LYS  79  -1.145  28.909   8.041
  651   1HD   LYS  79          2HD       LYS  79  -0.392  26.353   8.265
  652   2HD   LYS  79          1HD       LYS  79  -2.068  26.082   7.785
  653   1HE   LYS  79          2HE       LYS  79  -1.632  27.754   5.877
  654   2HE   LYS  79          1HE       LYS  79   0.090  27.557   6.260
  655   1HZ   LYS  79          1HZ       LYS  79  -0.145  25.177   6.044
  656   2HZ   LYS  79          2HZ       LYS  79  -0.670  25.926   4.612
  657   3HZ   LYS  79          3HZ       LYS  79  -1.805  25.329   5.728
  Start of MODEL    9
    1   1H    MET   1          1HT       MET   1  -7.452   4.656  -9.420
    2   2H    MET   1          2HT       MET   1  -8.393   6.029  -9.080
    3   3H    MET   1          3HT       MET   1  -7.176   5.542  -8.000
    4    HA   MET   1           HA       MET   1  -5.475   6.032  -9.673
    5   1HB   MET   1          2HB       MET   1  -7.335   5.508 -11.439
    6   2HB   MET   1          1HB       MET   1  -7.722   7.223 -11.289
    7   1HG   MET   1          2HG       MET   1  -5.474   7.851 -11.929
    8   2HG   MET   1          1HG       MET   1  -4.947   6.168 -11.896
    9   1HE   MET   1          1HE       MET   1  -6.489   4.460 -14.816
   10   2HE   MET   1          2HE       MET   1  -7.415   4.577 -13.321
   11   3HE   MET   1          3HE       MET   1  -5.664   4.393 -13.253
   12    H    LYS   2           H        LYS   2  -4.858   7.495  -8.032
   13    HA   LYS   2           HA       LYS   2  -6.407  10.036  -7.769
   14   1HB   LYS   2          2HB       LYS   2  -4.689   8.323  -6.074
   15   2HB   LYS   2          1HB       LYS   2  -4.485  10.059  -5.833
   16   1HG   LYS   2          2HG       LYS   2  -7.236   9.803  -5.978
   17   2HG   LYS   2          1HG       LYS   2  -6.759   8.329  -5.140
   18   1HD   LYS   2          2HD       LYS   2  -5.254   9.956  -3.725
   19   2HD   LYS   2          1HD       LYS   2  -6.376  11.184  -4.311
   20   1HE   LYS   2          2HE       LYS   2  -7.714   8.751  -3.325
   21   2HE   LYS   2          1HE       LYS   2  -6.792   9.623  -2.086
   22   1HZ   LYS   2          1HZ       LYS   2  -8.736  10.850  -3.970
   23   2HZ   LYS   2          2HZ       LYS   2  -7.841  11.681  -2.789
   24   3HZ   LYS   2          3HZ       LYS   2  -9.023  10.551  -2.325
   25    H    LYS   3           H        LYS   3  -4.931  12.015  -7.408
   26    HA   LYS   3           HA       LYS   3  -2.263  12.023  -8.519
   27   1HB   LYS   3          2HB       LYS   3  -3.846  11.662 -10.495
   28   2HB   LYS   3          1HB       LYS   3  -4.441  13.296 -10.193
   29   1HG   LYS   3          2HG       LYS   3  -2.064  14.113 -10.378
   30   2HG   LYS   3          1HG       LYS   3  -1.605  12.488 -10.892
   31   1HD   LYS   3          2HD       LYS   3  -2.853  12.633 -12.885
   32   2HD   LYS   3          1HD       LYS   3  -3.825  13.977 -12.285
   33   1HE   LYS   3          2HE       LYS   3  -2.249  14.933 -13.837
   34   2HE   LYS   3          1HE       LYS   3  -1.635  15.330 -12.219
   35   1HZ   LYS   3          1HZ       LYS   3  -0.266  13.340 -12.285
   36   2HZ   LYS   3          2HZ       LYS   3   0.108  14.354 -13.596
   37   3HZ   LYS   3          3HZ       LYS   3  -0.841  12.964 -13.835
   38    H    LYS   4           H        LYS   4  -2.705  13.070  -6.188
   39    HA   LYS   4           HA       LYS   4  -3.666  15.826  -6.274
   40   1HB   LYS   4          2HB       LYS   4  -3.117  15.716  -3.844
   41   2HB   LYS   4          1HB       LYS   4  -4.117  14.359  -4.356
   42   1HG   LYS   4          2HG       LYS   4  -2.339  12.836  -4.238
   43   2HG   LYS   4          1HG       LYS   4  -1.117  14.101  -4.367
   44   1HD   LYS   4          2HD       LYS   4  -1.858  14.948  -2.116
   45   2HD   LYS   4          1HD       LYS   4  -2.896  13.528  -1.985
   46   1HE   LYS   4          2HE       LYS   4   0.079  13.312  -2.527
   47   2HE   LYS   4          1HE       LYS   4  -0.606  13.280  -0.892
   48   1HZ   LYS   4          1HZ       LYS   4  -0.498  11.042  -1.712
   49   2HZ   LYS   4          2HZ       LYS   4  -1.302  11.473  -3.145
   50   3HZ   LYS   4          3HZ       LYS   4  -2.126  11.511  -1.659
   51    H    ASP   5           H        ASP   5  -1.940  17.163  -4.650
   52    HA   ASP   5           HA       ASP   5   0.080  18.218  -6.257
   53   1HB   ASP   5          2HB       ASP   5  -0.621  18.066  -3.401
   54   2HB   ASP   5          1HB       ASP   5   1.074  18.459  -3.701
   55    HA   PRO   6           HA       PRO   6   3.221  15.103  -6.353
   56   1HB   PRO   6          2HB       PRO   6   5.397  16.630  -6.980
   57   2HB   PRO   6          1HB       PRO   6   4.124  16.237  -8.152
   58   1HG   PRO   6          2HG       PRO   6   4.598  18.748  -6.645
   59   2HG   PRO   6          1HG       PRO   6   3.984  18.511  -8.288
   60   1HD   PRO   6          2HD       PRO   6   2.419  19.101  -6.097
   61   2HD   PRO   6          1HD       PRO   6   1.832  18.324  -7.583
   62    H    ASN   7           H        ASN   7   3.730  18.000  -4.376
   63    HA   ASN   7           HA       ASN   7   5.613  16.438  -2.637
   64   1HB   ASN   7          2HB       ASN   7   6.178  18.669  -3.928
   65   2HB   ASN   7          1HB       ASN   7   5.311  19.424  -2.591
   66   1HD2  ASN   7          1HD2      ASN   7   6.191  19.079  -0.381
   67   2HD2  ASN   7          2HD2      ASN   7   7.818  18.644  -0.172
   68    H    ALA   8           H        ALA   8   2.538  16.597  -2.574
   69    HA   ALA   8           HA       ALA   8   2.175  17.825   0.132
   70   1HB   ALA   8          1HB       ALA   8   0.714  18.581  -1.706
   71   2HB   ALA   8          2HB       ALA   8  -0.227  17.717  -0.491
   72   3HB   ALA   8          3HB       ALA   8   0.212  16.916  -1.999
   73    HA   PRO   9           HA       PRO   9   2.258  13.304   0.998
   74   1HB   PRO   9          2HB       PRO   9   3.248  13.519   3.537
   75   2HB   PRO   9          1HB       PRO   9   4.284  13.499   2.097
   76   1HG   PRO   9          2HG       PRO   9   3.374  15.811   3.737
   77   2HG   PRO   9          1HG       PRO   9   4.951  15.506   2.994
   78   1HD   PRO   9          2HD       PRO   9   3.104  17.202   1.934
   79   2HD   PRO   9          1HD       PRO   9   4.297  16.318   0.956
   80    H    LYS  10           H        LYS  10  -0.140  13.660   0.971
   81    HA   LYS  10           HA       LYS  10  -1.644  14.713   3.142
   82   1HB   LYS  10          2HB       LYS  10  -2.072  13.479   0.647
   83   2HB   LYS  10          1HB       LYS  10  -2.914  12.454   1.806
   84   1HG   LYS  10          2HG       LYS  10  -4.434  14.186   1.032
   85   2HG   LYS  10          1HG       LYS  10  -4.035  14.494   2.723
   86   1HD   LYS  10          2HD       LYS  10  -2.560  16.261   2.172
   87   2HD   LYS  10          1HD       LYS  10  -2.463  15.765   0.483
   88   1HE   LYS  10          2HE       LYS  10  -4.787  16.429   0.105
   89   2HE   LYS  10          1HE       LYS  10  -4.976  16.827   1.825
   90   1HZ   LYS  10          1HZ       LYS  10  -4.413  18.817   0.621
   91   2HZ   LYS  10          2HZ       LYS  10  -3.058  18.067  -0.078
   92   3HZ   LYS  10          3HZ       LYS  10  -3.096  18.376   1.592
   93    H    ARG  11           H        ARG  11  -3.377  12.514   3.814
   94    HA   ARG  11           HA       ARG  11  -2.314  11.503   6.186
   95   1HB   ARG  11          2HB       ARG  11  -4.437  10.701   4.249
   96   2HB   ARG  11          1HB       ARG  11  -4.032   9.552   5.525
   97   1HG   ARG  11          2HG       ARG  11  -5.694  10.849   6.545
   98   2HG   ARG  11          1HG       ARG  11  -4.217  11.640   7.099
   99   1HD   ARG  11          2HD       ARG  11  -4.518  13.482   5.700
  100   2HD   ARG  11          1HD       ARG  11  -5.488  12.563   4.531
  101    HE   ARG  11           HE       ARG  11  -6.486  13.337   7.249
  102   1HH1  ARG  11          1HH2      ARG  11  -7.678  11.171   5.284
  103   2HH1  ARG  11          2HH2      ARG  11  -9.037  12.061   4.683
  104   1HH2  ARG  11          1HH1      ARG  11  -7.909  15.111   5.887
  105   2HH2  ARG  11          2HH1      ARG  11  -9.167  14.292   5.024
  106    HA   PRO  12           HA       PRO  12   0.640   8.511   4.741
  107   1HB   PRO  12          2HB       PRO  12   1.117   7.203   7.091
  108   2HB   PRO  12          1HB       PRO  12   1.767   8.815   6.734
  109   1HG   PRO  12          2HG       PRO  12  -0.521   8.035   8.446
  110   2HG   PRO  12          1HG       PRO  12   0.635   9.359   8.632
  111   1HD   PRO  12          2HD       PRO  12  -1.945   9.634   7.687
  112   2HD   PRO  12          1HD       PRO  12  -0.626  10.790   7.404
  113    HA   PRO  13           HA       PRO  13  -2.213   5.071   4.293
  114   1HB   PRO  13          2HB       PRO  13  -0.860   3.739   2.332
  115   2HB   PRO  13          1HB       PRO  13  -1.834   5.188   2.018
  116   1HG   PRO  13          2HG       PRO  13   1.093   4.875   2.128
  117   2HG   PRO  13          1HG       PRO  13   0.112   6.042   1.234
  118   1HD   PRO  13          2HD       PRO  13   1.512   6.507   3.630
  119   2HD   PRO  13          1HD       PRO  13   0.318   7.581   2.873
  120    H    SER  14           H        SER  14  -1.798   2.521   4.142
  121    HA   SER  14           HA       SER  14   0.647   1.562   5.446
  122   1HB   SER  14          2HB       SER  14  -1.857   2.225   6.896
  123   2HB   SER  14          1HB       SER  14  -1.113   0.685   7.321
  124    HG   SER  14           HG       SER  14  -0.005   3.290   7.423
  125    H    ALA  15           H        ALA  15   0.020   0.529   3.123
  126    HA   ALA  15           HA       ALA  15  -0.453  -1.461   2.006
  127   1HB   ALA  15          1HB       ALA  15  -1.468  -3.059   4.187
  128   2HB   ALA  15          2HB       ALA  15  -0.065  -2.148   4.743
  129   3HB   ALA  15          3HB       ALA  15   0.072  -3.208   3.342
  130    H    PHE  16           H        PHE  16  -2.892  -1.744   4.610
  131    HA   PHE  16           HA       PHE  16  -5.086  -2.407   2.995
  132   1HB   PHE  16          2HB       PHE  16  -4.754  -2.300   5.544
  133   2HB   PHE  16          1HB       PHE  16  -5.232  -0.610   5.415
  134    HD1  PHE  16           1HD      PHE  16  -7.433  -0.158   4.026
  135    HD2  PHE  16           2HD      PHE  16  -6.416  -3.929   5.815
  136    HE1  PHE  16           1HE      PHE  16  -9.819  -0.834   3.959
  137    HE2  PHE  16           2HE      PHE  16  -8.801  -4.604   5.748
  138    HZ   PHE  16           HZ       PHE  16 -10.503  -3.056   4.820
  139    H    PHE  17           H        PHE  17  -3.994   0.858   3.961
  140    HA   PHE  17           HA       PHE  17  -6.125   2.319   2.710
  141   1HB   PHE  17          2HB       PHE  17  -4.313   3.032   4.420
  142   2HB   PHE  17          1HB       PHE  17  -3.266   3.254   3.018
  143    HD1  PHE  17           1HD      PHE  17  -6.040   4.601   4.937
  144    HD2  PHE  17           2HD      PHE  17  -3.942   4.853   1.197
  145    HE1  PHE  17           1HE      PHE  17  -7.082   6.809   4.501
  146    HE2  PHE  17           2HE      PHE  17  -4.984   7.061   0.761
  147    HZ   PHE  17           HZ       PHE  17  -6.554   8.039   2.414
  148    H    LEU  18           H        LEU  18  -3.105   0.939   1.500
  149    HA   LEU  18           HA       LEU  18  -3.122   2.344  -1.043
  150   1HB   LEU  18          2HB       LEU  18  -1.787  -0.262  -0.227
  151   2HB   LEU  18          1HB       LEU  18  -1.304   0.791  -1.553
  152    HG   LEU  18           HG       LEU  18  -1.239   1.509   1.401
  153   1HD1  LEU  18          1HD1      LEU  18   1.252   1.621   0.900
  154   2HD1  LEU  18          2HD1      LEU  18   0.898   0.811  -0.625
  155   3HD1  LEU  18          3HD1      LEU  18   0.553   0.002   0.903
  156   1HD2  LEU  18          1HD2      LEU  18   0.046   3.519   0.476
  157   2HD2  LEU  18          2HD2      LEU  18  -1.688   3.516   0.157
  158   3HD2  LEU  18          3HD2      LEU  18  -0.556   3.059  -1.116
  159    H    PHE  19           H        PHE  19  -4.099  -0.922   0.038
  160    HA   PHE  19           HA       PHE  19  -4.900  -1.901  -2.544
  161   1HB   PHE  19          2HB       PHE  19  -4.419  -3.177  -0.394
  162   2HB   PHE  19          1HB       PHE  19  -6.004  -2.656   0.176
  163    HD1  PHE  19           1HD      PHE  19  -4.192  -4.853  -2.119
  164    HD2  PHE  19           2HD      PHE  19  -8.069  -3.399  -0.979
  165    HE1  PHE  19           1HE      PHE  19  -5.256  -6.702  -3.382
  166    HE2  PHE  19           2HE      PHE  19  -9.133  -5.248  -2.242
  167    HZ   PHE  19           HZ       PHE  19  -7.727  -6.900  -3.443
  168    H    CYS  20           H        CYS  20  -6.794  -0.475   0.141
  169    HA   CYS  20           HA       CYS  20  -9.331  -0.536  -1.221
  170   1HB   CYS  20          2HB       CYS  20  -8.772  -0.247   1.269
  171   2HB   CYS  20          1HB       CYS  20  -8.423   1.439   0.888
  172    HG   CYS  20           HG       CYS  20 -10.906   1.763   0.173
  173    H    SER  21           H        SER  21  -6.643   1.730  -1.212
  174    HA   SER  21           HA       SER  21  -8.175   3.800  -2.663
  175   1HB   SER  21          2HB       SER  21  -6.506   4.258  -0.851
  176   2HB   SER  21          1HB       SER  21  -5.244   3.635  -1.909
  177    HG   SER  21           HG       SER  21  -5.243   5.748  -2.353
  178    H    GLU  22           H        GLU  22  -6.890   0.950  -3.738
  179    HA   GLU  22           HA       GLU  22  -6.197   2.159  -6.379
  180   1HB   GLU  22          2HB       GLU  22  -4.637   0.246  -4.678
  181   2HB   GLU  22          1HB       GLU  22  -4.369   0.338  -6.415
  182   1HG   GLU  22          2HG       GLU  22  -4.337   2.812  -4.686
  183   2HG   GLU  22          1HG       GLU  22  -2.890   1.829  -4.911
  184    H    TYR  23           H        TYR  23  -8.179  -0.037  -4.780
  185    HA   TYR  23           HA       TYR  23  -8.399  -1.756  -7.229
  186   1HB   TYR  23          2HB       TYR  23  -8.362  -2.314  -4.293
  187   2HB   TYR  23          1HB       TYR  23  -9.376  -3.337  -5.310
  188    HD1  TYR  23           1HD      TYR  23  -5.989  -2.532  -4.300
  189    HD2  TYR  23           2HD      TYR  23  -8.345  -4.534  -7.282
  190    HE1  TYR  23           1HE      TYR  23  -3.984  -3.793  -5.037
  191    HE2  TYR  23           2HE      TYR  23  -6.340  -5.795  -8.019
  192    HH   TYR  23           HH       TYR  23  -3.920  -5.603  -7.945
  193    H    ARG  24           H        ARG  24  -9.886   0.795  -6.248
  194    HA   ARG  24           HA       ARG  24 -12.602  -0.178  -5.763
  195   1HB   ARG  24          2HB       ARG  24 -11.446   2.582  -6.226
  196   2HB   ARG  24          1HB       ARG  24 -13.090   2.236  -5.689
  197   1HG   ARG  24          2HG       ARG  24 -12.298   1.227  -3.651
  198   2HG   ARG  24          1HG       ARG  24 -10.625   1.293  -4.206
  199   1HD   ARG  24          2HD       ARG  24 -10.418   3.534  -3.715
  200   2HD   ARG  24          1HD       ARG  24 -12.102   3.886  -4.156
  201    HE   ARG  24           HE       ARG  24 -11.464   2.358  -1.664
  202   1HH1  ARG  24          1HH2      ARG  24 -14.167   3.399  -3.024
  203   2HH1  ARG  24          2HH2      ARG  24 -14.599   4.594  -1.847
  204   1HH2  ARG  24          1HH1      ARG  24 -11.505   4.558  -0.284
  205   2HH2  ARG  24          2HH1      ARG  24 -13.092   5.250  -0.295
  206    HA   PRO  25           HA       PRO  25 -13.261   1.767 -10.129
  207   1HB   PRO  25          2HB       PRO  25 -11.092   1.879 -11.798
  208   2HB   PRO  25          1HB       PRO  25 -11.620   3.233 -10.781
  209   1HG   PRO  25          2HG       PRO  25  -9.430   1.271 -10.335
  210   2HG   PRO  25          1HG       PRO  25  -9.473   3.012 -10.009
  211   1HD   PRO  25          2HD       PRO  25  -9.768   1.146  -8.092
  212   2HD   PRO  25          1HD       PRO  25 -10.539   2.741  -7.991
  213    H    LYS  26           H        LYS  26 -11.212  -0.898  -9.335
  214    HA   LYS  26           HA       LYS  26 -11.558  -2.442 -11.782
  215   1HB   LYS  26          2HB       LYS  26  -9.785  -2.665  -9.939
  216   2HB   LYS  26          1HB       LYS  26 -11.052  -3.402  -8.953
  217   1HG   LYS  26          2HG       LYS  26 -10.526  -4.443 -11.725
  218   2HG   LYS  26          1HG       LYS  26  -9.487  -4.945 -10.391
  219   1HD   LYS  26          2HD       LYS  26 -11.701  -5.467  -9.142
  220   2HD   LYS  26          1HD       LYS  26 -12.447  -5.398 -10.738
  221   1HE   LYS  26          2HE       LYS  26 -10.699  -7.077 -11.516
  222   2HE   LYS  26          1HE       LYS  26 -10.257  -7.279  -9.808
  223   1HZ   LYS  26          1HZ       LYS  26 -12.528  -7.814  -9.283
  224   2HZ   LYS  26          2HZ       LYS  26 -11.999  -8.850 -10.522
  225   3HZ   LYS  26          3HZ       LYS  26 -13.016  -7.537 -10.882
  226    H    ILE  27           H        ILE  27 -12.989  -2.540  -8.520
  227    HA   ILE  27           HA       ILE  27 -14.935  -4.550  -8.858
  228    HB   ILE  27           HB       ILE  27 -15.202  -1.933  -7.331
  229   1HG1  ILE  27          2HG1      ILE  27 -13.092  -2.885  -6.656
  230   2HG1  ILE  27          1HG1      ILE  27 -14.253  -3.245  -5.394
  231   1HG2  ILE  27          1HG2      ILE  27 -16.527  -3.393  -5.763
  232   2HG2  ILE  27          2HG2      ILE  27 -16.449  -4.663  -6.984
  233   3HG2  ILE  27          3HG2      ILE  27 -17.268  -3.143  -7.344
  234   1HD1  ILE  27          1HD1      ILE  27 -13.167  -5.109  -7.502
  235   2HD1  ILE  27          2HD1      ILE  27 -14.614  -5.487  -6.567
  236   3HD1  ILE  27          3HD1      ILE  27 -13.067  -5.269  -5.749
  237    H    LYS  28           H        LYS  28 -14.997  -1.154  -9.780
  238    HA   LYS  28           HA       LYS  28 -17.816  -1.026 -10.375
  239   1HB   LYS  28          2HB       LYS  28 -15.854   0.768 -11.771
  240   2HB   LYS  28          1HB       LYS  28 -17.397   1.165 -11.035
  241   1HG   LYS  28          2HG       LYS  28 -14.736   0.760  -9.701
  242   2HG   LYS  28          1HG       LYS  28 -15.732   2.196  -9.686
  243   1HD   LYS  28          2HD       LYS  28 -16.323  -0.425  -8.266
  244   2HD   LYS  28          1HD       LYS  28 -15.858   1.098  -7.520
  245   1HE   LYS  28          2HE       LYS  28 -18.335   0.884  -9.256
  246   2HE   LYS  28          1HE       LYS  28 -18.377   0.576  -7.508
  247   1HZ   LYS  28          1HZ       LYS  28 -17.397   3.038  -8.856
  248   2HZ   LYS  28          2HZ       LYS  28 -17.240   2.730  -7.193
  249   3HZ   LYS  28          3HZ       LYS  28 -18.782   2.900  -7.886
  250    H    SER  29           H        SER  29 -14.947  -1.736 -12.339
  251    HA   SER  29           HA       SER  29 -16.122  -1.677 -14.925
  252   1HB   SER  29          2HB       SER  29 -13.698  -1.888 -14.336
  253   2HB   SER  29          1HB       SER  29 -13.997  -3.550 -13.833
  254    HG   SER  29           HG       SER  29 -14.336  -4.124 -15.884
  255    H    GLU  30           H        GLU  30 -16.403  -4.049 -12.355
  256    HA   GLU  30           HA       GLU  30 -17.930  -5.859 -14.196
  257   1HB   GLU  30          2HB       GLU  30 -15.905  -6.209 -12.099
  258   2HB   GLU  30          1HB       GLU  30 -17.300  -7.262 -11.880
  259   1HG   GLU  30          2HG       GLU  30 -15.961  -6.994 -14.570
  260   2HG   GLU  30          1HG       GLU  30 -15.359  -8.130 -13.361
  261    H    HIS  31           H        HIS  31 -18.046  -3.984 -11.236
  262    HA   HIS  31           HA       HIS  31 -20.838  -4.968 -10.748
  263   1HB   HIS  31          2HB       HIS  31 -18.891  -3.750  -8.759
  264   2HB   HIS  31          1HB       HIS  31 -20.419  -4.544  -8.395
  265    HD1  HIS  31           1HD      HIS  31 -16.847  -5.220  -9.156
  266    HD2  HIS  31           2HD      HIS  31 -20.354  -7.428  -8.702
  267    HE1  HIS  31           1HE      HIS  31 -16.144  -7.638  -8.950
  268    HA   PRO  32           HA       PRO  32 -21.230  -0.552 -11.847
  269   1HB   PRO  32          2HB       PRO  32 -23.757  -0.747 -12.877
  270   2HB   PRO  32          1HB       PRO  32 -22.298  -1.105 -13.813
  271   1HG   PRO  32          2HG       PRO  32 -24.239  -2.959 -12.567
  272   2HG   PRO  32          1HG       PRO  32 -23.305  -3.132 -14.059
  273   1HD   PRO  32          2HD       PRO  32 -22.696  -4.357 -11.665
  274   2HD   PRO  32          1HD       PRO  32 -21.547  -4.080 -12.990
  275    H    GLY  33           H        GLY  33 -23.402  -2.698 -10.106
  276   1HA   GLY  33          2HA       GLY  33 -24.873  -0.491  -8.850
  277   2HA   GLY  33          1HA       GLY  33 -25.090  -2.207  -8.524
  278    H    LEU  34           H        LEU  34 -21.926  -2.150  -8.245
  279    HA   LEU  34           HA       LEU  34 -21.809  -2.229  -5.403
  280   1HB   LEU  34          2HB       LEU  34 -20.086  -2.525  -7.692
  281   2HB   LEU  34          1HB       LEU  34 -19.254  -1.544  -6.493
  282    HG   LEU  34           HG       LEU  34 -18.826  -3.979  -6.200
  283   1HD1  LEU  34          1HD1      LEU  34 -19.916  -3.932  -3.724
  284   2HD1  LEU  34          2HD1      LEU  34 -20.053  -2.226  -4.149
  285   3HD1  LEU  34          3HD1      LEU  34 -18.476  -3.014  -4.164
  286   1HD2  LEU  34          1HD2      LEU  34 -20.486  -5.526  -6.115
  287   2HD2  LEU  34          2HD2      LEU  34 -21.527  -4.262  -6.768
  288   3HD2  LEU  34          3HD2      LEU  34 -21.464  -4.540  -5.028
  289    H    SER  35           H        SER  35 -22.928  -0.187  -4.807
  290    HA   SER  35           HA       SER  35 -21.831   2.420  -5.417
  291   1HB   SER  35          2HB       SER  35 -24.128   2.161  -4.733
  292   2HB   SER  35          1HB       SER  35 -23.656   1.321  -3.259
  293    HG   SER  35           HG       SER  35 -23.450   4.044  -3.936
  294    H    ILE  36           H        ILE  36 -20.984   3.877  -3.566
  295    HA   ILE  36           HA       ILE  36 -18.506   2.986  -2.560
  296    HB   ILE  36           HB       ILE  36 -20.435   5.095  -1.532
  297   1HG1  ILE  36          2HG1      ILE  36 -19.736   5.388  -3.884
  298   2HG1  ILE  36          1HG1      ILE  36 -19.024   6.633  -2.860
  299   1HG2  ILE  36          1HG2      ILE  36 -17.535   4.539  -0.873
  300   2HG2  ILE  36          2HG2      ILE  36 -18.885   4.751   0.242
  301   3HG2  ILE  36          3HG2      ILE  36 -18.254   6.134  -0.651
  302   1HD1  ILE  36          1HD1      ILE  36 -17.668   4.159  -3.963
  303   2HD1  ILE  36          2HD1      ILE  36 -16.954   5.165  -2.703
  304   3HD1  ILE  36          3HD1      ILE  36 -17.271   5.845  -4.298
  305    H    GLY  37           H        GLY  37 -21.727   2.644  -1.173
  306   1HA   GLY  37          2HA       GLY  37 -21.009   1.973   1.498
  307   2HA   GLY  37          1HA       GLY  37 -22.483   1.435   0.691
  308    H    ASP  38           H        ASP  38 -22.000  -0.342  -1.049
  309    HA   ASP  38           HA       ASP  38 -20.853  -2.619   0.312
  310   1HB   ASP  38          2HB       ASP  38 -22.708  -2.309  -1.559
  311   2HB   ASP  38          1HB       ASP  38 -21.336  -2.531  -2.645
  312    H    THR  39           H        THR  39 -19.627  -0.352  -2.098
  313    HA   THR  39           HA       THR  39 -17.351  -1.864  -2.989
  314    HB   THR  39           HB       THR  39 -17.825   1.125  -2.750
  315    HG1  THR  39           1HG      THR  39 -18.648   0.933  -4.773
  316   1HG2  THR  39          1HG2      THR  39 -16.181   1.150  -4.712
  317   2HG2  THR  39          2HG2      THR  39 -15.767  -0.502  -4.253
  318   3HG2  THR  39          3HG2      THR  39 -15.488   0.824  -3.124
  319    H    ALA  40           H        ALA  40 -17.928   0.107  -0.130
  320    HA   ALA  40           HA       ALA  40 -15.121   0.280   0.660
  321   1HB   ALA  40          1HB       ALA  40 -16.135   1.207   2.727
  322   2HB   ALA  40          2HB       ALA  40 -17.725   0.684   2.172
  323   3HB   ALA  40          3HB       ALA  40 -16.848   1.932   1.286
  324    H    LYS  41           H        LYS  41 -17.925  -1.675   1.698
  325    HA   LYS  41           HA       LYS  41 -16.262  -3.255   3.533
  326   1HB   LYS  41          2HB       LYS  41 -18.396  -4.309   4.098
  327   2HB   LYS  41          1HB       LYS  41 -18.585  -2.561   4.047
  328   1HG   LYS  41          2HG       LYS  41 -19.306  -2.966   1.562
  329   2HG   LYS  41          1HG       LYS  41 -19.558  -4.627   2.086
  330   1HD   LYS  41          2HD       LYS  41 -21.645  -3.374   2.311
  331   2HD   LYS  41          1HD       LYS  41 -21.036  -3.809   3.907
  332   1HE   LYS  41          2HE       LYS  41 -19.871  -1.281   3.233
  333   2HE   LYS  41          1HE       LYS  41 -21.611  -1.182   2.896
  334   1HZ   LYS  41          1HZ       LYS  41 -20.364  -2.181   5.403
  335   2HZ   LYS  41          2HZ       LYS  41 -22.030  -2.202   5.070
  336   3HZ   LYS  41          3HZ       LYS  41 -21.209  -0.722   5.220
  337    H    LYS  42           H        LYS  42 -17.089  -3.478   0.186
  338    HA   LYS  42           HA       LYS  42 -17.038  -6.395  -0.003
  339   1HB   LYS  42          2HB       LYS  42 -18.227  -4.948  -1.607
  340   2HB   LYS  42          1HB       LYS  42 -16.705  -4.182  -2.060
  341   1HG   LYS  42          2HG       LYS  42 -17.337  -5.898  -3.705
  342   2HG   LYS  42          1HG       LYS  42 -15.858  -6.365  -2.864
  343   1HD   LYS  42          2HD       LYS  42 -16.851  -8.145  -1.835
  344   2HD   LYS  42          1HD       LYS  42 -18.364  -7.277  -1.579
  345   1HE   LYS  42          2HE       LYS  42 -19.272  -8.051  -3.528
  346   2HE   LYS  42          1HE       LYS  42 -17.744  -7.887  -4.414
  347   1HZ   LYS  42          1HZ       LYS  42 -18.415 -10.233  -3.988
  348   2HZ   LYS  42          2HZ       LYS  42 -18.236  -9.941  -2.325
  349   3HZ   LYS  42          3HZ       LYS  42 -16.893  -9.831  -3.360
  350    H    LEU  43           H        LEU  43 -14.773  -3.879  -1.203
  351    HA   LEU  43           HA       LEU  43 -12.602  -5.463  -1.937
  352   1HB   LEU  43          2HB       LEU  43 -12.765  -2.753  -0.600
  353   2HB   LEU  43          1HB       LEU  43 -11.265  -3.395  -1.268
  354    HG   LEU  43           HG       LEU  43 -13.784  -3.280  -2.923
  355   1HD1  LEU  43          1HD1      LEU  43 -13.031  -1.118  -3.799
  356   2HD1  LEU  43          2HD1      LEU  43 -11.655  -1.129  -2.695
  357   3HD1  LEU  43          3HD1      LEU  43 -13.295  -0.998  -2.059
  358   1HD2  LEU  43          1HD2      LEU  43 -10.818  -3.300  -3.572
  359   2HD2  LEU  43          2HD2      LEU  43 -12.117  -3.248  -4.763
  360   3HD2  LEU  43          3HD2      LEU  43 -11.921  -4.667  -3.734
  361    H    GLY  44           H        GLY  44 -13.680  -4.759   1.336
  362   1HA   GLY  44          2HA       GLY  44 -11.214  -5.496   2.664
  363   2HA   GLY  44          1HA       GLY  44 -12.803  -5.383   3.428
  364    H    GLU  45           H        GLU  45 -14.142  -7.217   1.669
  365    HA   GLU  45           HA       GLU  45 -13.815  -9.695   2.974
  366   1HB   GLU  45          2HB       GLU  45 -15.502  -8.600   1.135
  367   2HB   GLU  45          1HB       GLU  45 -14.627  -9.746   0.120
  368   1HG   GLU  45          2HG       GLU  45 -15.213 -11.587   1.566
  369   2HG   GLU  45          1HG       GLU  45 -15.902 -10.490   2.765
  370    H    MET  46           H        MET  46 -12.257  -8.516   0.001
  371    HA   MET  46           HA       MET  46 -10.890 -11.031  -0.572
  372   1HB   MET  46          2HB       MET  46 -10.600  -8.164  -1.524
  373   2HB   MET  46          1HB       MET  46  -9.688  -9.511  -2.210
  374   1HG   MET  46          2HG       MET  46 -12.000 -10.640  -2.532
  375   2HG   MET  46          1HG       MET  46 -12.663  -9.023  -2.290
  376   1HE   MET  46          1HE       MET  46  -9.937 -11.050  -4.500
  377   2HE   MET  46          2HE       MET  46 -10.940 -10.876  -5.938
  378   3HE   MET  46          3HE       MET  46 -11.635 -11.546  -4.464
  379    H    TRP  47           H        TRP  47  -9.843  -7.844   0.671
  380    HA   TRP  47           HA       TRP  47  -7.120  -8.309   1.118
  381   1HB   TRP  47          2HB       TRP  47  -8.490  -6.208   1.457
  382   2HB   TRP  47          1HB       TRP  47  -9.008  -6.875   3.006
  383    HD1  TRP  47           HD       TRP  47  -7.582  -6.138   4.963
  384    HE1  TRP  47           1HE      TRP  47  -5.141  -5.380   5.297
  385    HE3  TRP  47           3HE      TRP  47  -5.846  -6.620   0.184
  386    HZ2  TRP  47           2HZ      TRP  47  -2.766  -5.025   3.744
  387    HZ3  TRP  47           3HZ      TRP  47  -3.492  -6.066  -0.360
  388    HH2  TRP  47           HH       TRP  47  -1.951  -5.271   1.413
  389    H    SER  48           H        SER  48  -9.732  -8.898   3.521
  390    HA   SER  48           HA       SER  48  -8.106 -10.071   5.539
  391   1HB   SER  48          2HB       SER  48 -10.485  -9.275   5.704
  392   2HB   SER  48          1HB       SER  48 -10.983 -10.707   4.810
  393    HG   SER  48           HG       SER  48 -10.474 -11.951   6.492
  394    H    GLU  49           H        GLU  49  -9.681 -11.518   2.705
  395    HA   GLU  49           HA       GLU  49  -9.254 -14.275   3.346
  396   1HB   GLU  49          2HB       GLU  49  -9.898 -12.584   1.009
  397   2HB   GLU  49          1HB       GLU  49  -9.131 -14.119   0.604
  398   1HG   GLU  49          2HG       GLU  49 -11.509 -13.894   2.466
  399   2HG   GLU  49          1HG       GLU  49 -11.661 -14.202   0.736
  400    H    GLN  50           H        GLN  50  -7.203 -11.887   1.685
  401    HA   GLN  50           HA       GLN  50  -5.110 -13.585   0.791
  402   1HB   GLN  50          2HB       GLN  50  -5.142 -10.726   1.805
  403   2HB   GLN  50          1HB       GLN  50  -3.771 -11.449   0.961
  404   1HG   GLN  50          2HG       GLN  50  -6.499 -11.606  -0.279
  405   2HG   GLN  50          1HG       GLN  50  -5.583 -10.103  -0.399
  406   1HE2  GLN  50          1HE2      GLN  50  -4.686 -10.107  -2.478
  407   2HE2  GLN  50          2HE2      GLN  50  -3.836 -11.409  -3.158
  408    H    SER  51           H        SER  51  -3.059 -14.080   1.752
  409    HA   SER  51           HA       SER  51  -3.147 -14.307   4.728
  410   1HB   SER  51          2HB       SER  51  -1.324 -15.640   2.701
  411   2HB   SER  51          1HB       SER  51  -1.595 -16.132   4.371
  412    HG   SER  51           HG       SER  51  -2.822 -17.147   2.457
  413    H    ALA  52           H        ALA  52  -0.216 -14.695   4.837
  414    HA   ALA  52           HA       ALA  52   0.575 -11.854   4.948
  415   1HB   ALA  52          1HB       ALA  52   2.578 -12.868   6.064
  416   2HB   ALA  52          2HB       ALA  52   1.923 -14.467   5.710
  417   3HB   ALA  52          3HB       ALA  52   1.058 -13.381   6.798
  418    H    LYS  53           H        LYS  53   0.211 -12.445   2.292
  419    HA   LYS  53           HA       LYS  53   3.019 -12.646   1.257
  420   1HB   LYS  53          2HB       LYS  53   0.834 -14.447   0.913
  421   2HB   LYS  53          1HB       LYS  53   1.060 -13.626  -0.630
  422   1HG   LYS  53          2HG       LYS  53   3.575 -14.137  -0.318
  423   2HG   LYS  53          1HG       LYS  53   3.050 -15.284   0.917
  424   1HD   LYS  53          2HD       LYS  53   1.573 -16.377  -0.754
  425   2HD   LYS  53          1HD       LYS  53   2.169 -15.263  -1.986
  426   1HE   LYS  53          2HE       LYS  53   4.110 -16.929  -0.381
  427   2HE   LYS  53          1HE       LYS  53   3.315 -17.596  -1.820
  428   1HZ   LYS  53          1HZ       LYS  53   5.375 -16.463  -2.414
  429   2HZ   LYS  53          2HZ       LYS  53   4.809 -15.028  -1.705
  430   3HZ   LYS  53          3HZ       LYS  53   4.036 -15.663  -3.078
  431    H    ASP  54           H        ASP  54  -0.329 -11.749   0.351
  432    HA   ASP  54           HA       ASP  54   0.394  -9.962  -1.777
  433   1HB   ASP  54          2HB       ASP  54  -1.845 -11.079  -1.196
  434   2HB   ASP  54          1HB       ASP  54  -2.056  -9.791  -0.009
  435    H    LYS  55           H        LYS  55   0.273  -9.554   1.708
  436    HA   LYS  55           HA       LYS  55   0.246  -6.625   1.626
  437   1HB   LYS  55          2HB       LYS  55  -0.727  -7.994   3.455
  438   2HB   LYS  55          1HB       LYS  55   0.881  -8.605   3.840
  439   1HG   LYS  55          2HG       LYS  55   1.644  -6.460   4.533
  440   2HG   LYS  55          1HG       LYS  55   0.259  -5.648   3.801
  441   1HD   LYS  55          2HD       LYS  55  -1.202  -6.323   5.491
  442   2HD   LYS  55          1HD       LYS  55  -0.200  -7.703   5.944
  443   1HE   LYS  55          2HE       LYS  55   0.151  -6.128   7.698
  444   2HE   LYS  55          1HE       LYS  55   1.564  -5.911   6.645
  445   1HZ   LYS  55          1HZ       LYS  55   0.435  -4.137   5.499
  446   2HZ   LYS  55          2HZ       LYS  55   0.455  -3.791   7.162
  447   3HZ   LYS  55          3HZ       LYS  55  -0.965  -4.365   6.427
  448    H    GLN  56           H        GLN  56   2.680  -9.183   2.002
  449    HA   GLN  56           HA       GLN  56   4.936  -7.884   2.921
  450   1HB   GLN  56          2HB       GLN  56   4.317 -10.069   1.037
  451   2HB   GLN  56          1HB       GLN  56   5.939  -9.399   0.865
  452   1HG   GLN  56          2HG       GLN  56   4.768 -10.253   3.524
  453   2HG   GLN  56          1HG       GLN  56   5.759 -11.308   2.518
  454   1HE2  GLN  56          1HE2      GLN  56   8.046 -10.753   2.257
  455   2HE2  GLN  56          2HE2      GLN  56   8.802  -9.636   3.287
  456    HA   PRO  57           HA       PRO  57   6.026  -6.002  -1.306
  457   1HB   PRO  57          2HB       PRO  57   4.279  -6.190  -3.385
  458   2HB   PRO  57          1HB       PRO  57   5.492  -7.437  -3.035
  459   1HG   PRO  57          2HG       PRO  57   2.589  -7.410  -2.469
  460   2HG   PRO  57          1HG       PRO  57   3.636  -8.763  -2.916
  461   1HD   PRO  57          2HD       PRO  57   2.743  -8.223  -0.357
  462   2HD   PRO  57          1HD       PRO  57   4.169  -9.204  -0.754
  463    H    TYR  58           H        TYR  58   2.513  -5.910  -0.721
  464    HA   TYR  58           HA       TYR  58   2.292  -3.096  -1.529
  465   1HB   TYR  58          2HB       TYR  58   0.633  -5.350  -1.272
  466   2HB   TYR  58          1HB       TYR  58   0.043  -4.222  -0.053
  467    HD1  TYR  58           1HD      TYR  58  -1.126  -2.232  -0.665
  468    HD2  TYR  58           2HD      TYR  58   0.837  -4.596  -3.669
  469    HE1  TYR  58           1HE      TYR  58  -2.237  -0.902  -2.439
  470    HE2  TYR  58           2HE      TYR  58  -0.275  -3.265  -5.442
  471    HH   TYR  58           HH       TYR  58  -1.263  -0.817  -5.554
  472    H    GLU  59           H        GLU  59   3.592  -4.377   1.243
  473    HA   GLU  59           HA       GLU  59   2.288  -2.411   3.069
  474   1HB   GLU  59          2HB       GLU  59   3.343  -3.754   4.831
  475   2HB   GLU  59          1HB       GLU  59   2.477  -4.804   3.718
  476   1HG   GLU  59          2HG       GLU  59   4.387  -5.975   3.443
  477   2HG   GLU  59          1HG       GLU  59   5.067  -4.566   2.634
  478    H    GLN  60           H        GLN  60   5.295  -3.036   1.388
  479    HA   GLN  60           HA       GLN  60   6.948  -1.271   3.009
  480   1HB   GLN  60          2HB       GLN  60   8.588  -1.700   1.246
  481   2HB   GLN  60          1HB       GLN  60   7.748  -3.200   1.622
  482   1HG   GLN  60          2HG       GLN  60   6.184  -2.659  -0.322
  483   2HG   GLN  60          1HG       GLN  60   7.319  -1.385  -0.762
  484   1HE2  GLN  60          1HE2      GLN  60   9.453  -2.028  -1.537
  485   2HE2  GLN  60          2HE2      GLN  60   9.778  -3.627  -2.007
  486    H    LYS  61           H        LYS  61   4.738  -0.838   0.341
  487    HA   LYS  61           HA       LYS  61   5.704   1.598  -0.785
  488   1HB   LYS  61          2HB       LYS  61   3.957   0.163  -1.762
  489   2HB   LYS  61          1HB       LYS  61   2.888   0.518  -0.406
  490   1HG   LYS  61          2HG       LYS  61   2.550   2.737  -1.084
  491   2HG   LYS  61          1HG       LYS  61   4.014   2.761  -2.067
  492   1HD   LYS  61          2HD       LYS  61   2.887   0.983  -3.526
  493   2HD   LYS  61          1HD       LYS  61   1.397   1.371  -2.665
  494   1HE   LYS  61          2HE       LYS  61   1.597   3.735  -3.361
  495   2HE   LYS  61          1HE       LYS  61   3.095   3.348  -4.230
  496   1HZ   LYS  61          1HZ       LYS  61   0.470   2.035  -4.695
  497   2HZ   LYS  61          2HZ       LYS  61   1.908   1.734  -5.547
  498   3HZ   LYS  61          3HZ       LYS  61   1.135   3.240  -5.685
  499    H    ALA  62           H        ALA  62   3.516   1.016   1.986
  500    HA   ALA  62           HA       ALA  62   3.053   3.837   2.505
  501   1HB   ALA  62          1HB       ALA  62   1.405   2.365   3.292
  502   2HB   ALA  62          2HB       ALA  62   2.309   2.720   4.764
  503   3HB   ALA  62          3HB       ALA  62   2.592   1.210   3.897
  504    H    ALA  63           H        ALA  63   5.744   1.779   3.078
  505    HA   ALA  63           HA       ALA  63   6.670   3.125   5.521
  506   1HB   ALA  63          1HB       ALA  63   8.419   1.525   5.402
  507   2HB   ALA  63          2HB       ALA  63   8.251   1.353   3.655
  508   3HB   ALA  63          3HB       ALA  63   7.022   0.684   4.729
  509    H    LYS  64           H        LYS  64   6.483   4.155   2.363
  510    HA   LYS  64           HA       LYS  64   9.135   5.527   2.376
  511   1HB   LYS  64          2HB       LYS  64   7.046   4.806   0.316
  512   2HB   LYS  64          1HB       LYS  64   8.302   5.990  -0.040
  513   1HG   LYS  64          2HG       LYS  64   8.835   3.174   0.945
  514   2HG   LYS  64          1HG       LYS  64   8.917   3.668  -0.747
  515   1HD   LYS  64          2HD       LYS  64  10.545   5.518   0.145
  516   2HD   LYS  64          1HD       LYS  64  10.712   4.447   1.537
  517   1HE   LYS  64          2HE       LYS  64  10.962   3.250  -1.204
  518   2HE   LYS  64          1HE       LYS  64  12.333   4.165  -0.545
  519   1HZ   LYS  64          1HZ       LYS  64  10.887   1.983   0.865
  520   2HZ   LYS  64          2HZ       LYS  64  12.212   2.855   1.471
  521   3HZ   LYS  64          3HZ       LYS  64  12.409   1.828   0.133
  522    H    LEU  65           H        LEU  65   5.650   6.017   2.341
  523    HA   LEU  65           HA       LEU  65   5.839   8.937   2.054
  524   1HB   LEU  65          2HB       LEU  65   3.711   6.841   2.389
  525   2HB   LEU  65          1HB       LEU  65   3.296   8.537   2.642
  526    HG   LEU  65           HG       LEU  65   4.507   8.922   0.361
  527   1HD1  LEU  65          1HD1      LEU  65   4.096   6.835  -1.107
  528   2HD1  LEU  65          2HD1      LEU  65   4.033   5.940   0.411
  529   3HD1  LEU  65          3HD1      LEU  65   5.501   6.808  -0.040
  530   1HD2  LEU  65          1HD2      LEU  65   1.884   7.405   0.328
  531   2HD2  LEU  65          2HD2      LEU  65   2.413   8.659  -0.792
  532   3HD2  LEU  65          3HD2      LEU  65   2.020   9.077   0.875
  533    H    LYS  66           H        LYS  66   6.520   6.905   4.610
  534    HA   LYS  66           HA       LYS  66   5.212   8.522   6.719
  535   1HB   LYS  66          2HB       LYS  66   5.485   5.952   6.618
  536   2HB   LYS  66          1HB       LYS  66   7.178   6.242   7.021
  537   1HG   LYS  66          2HG       LYS  66   6.592   7.297   9.096
  538   2HG   LYS  66          1HG       LYS  66   4.884   7.346   8.659
  539   1HD   LYS  66          2HD       LYS  66   4.781   4.894   8.691
  540   2HD   LYS  66          1HD       LYS  66   6.501   4.814   9.076
  541   1HE   LYS  66          2HE       LYS  66   6.151   5.863  11.225
  542   2HE   LYS  66          1HE       LYS  66   4.462   6.237  10.823
  543   1HZ   LYS  66          1HZ       LYS  66   4.025   3.879  10.576
  544   2HZ   LYS  66          2HZ       LYS  66   4.628   4.196  12.133
  545   3HZ   LYS  66          3HZ       LYS  66   5.636   3.508  10.951
  546    H    GLU  67           H        GLU  67   8.376   7.933   5.273
  547    HA   GLU  67           HA       GLU  67   9.823   9.526   7.276
  548   1HB   GLU  67          2HB       GLU  67  10.424   8.010   4.751
  549   2HB   GLU  67          1HB       GLU  67  11.632   9.122   5.399
  550   1HG   GLU  67          2HG       GLU  67  11.392   7.942   7.623
  551   2HG   GLU  67          1HG       GLU  67  10.397   6.738   6.803
  552    H    LYS  68           H        LYS  68   8.010  10.195   4.431
  553    HA   LYS  68           HA       LYS  68   9.446  12.773   3.961
  554   1HB   LYS  68          2HB       LYS  68   7.770  10.869   2.385
  555   2HB   LYS  68          1HB       LYS  68   7.661  12.576   1.955
  556   1HG   LYS  68          2HG       LYS  68   9.435  11.792   0.615
  557   2HG   LYS  68          1HG       LYS  68  10.258  12.529   1.991
  558   1HD   LYS  68          2HD       LYS  68  10.302  10.242   3.070
  559   2HD   LYS  68          1HD       LYS  68   9.714   9.584   1.544
  560   1HE   LYS  68          2HE       LYS  68  12.194  11.318   1.668
  561   2HE   LYS  68          1HE       LYS  68  12.265   9.554   1.864
  562   1HZ   LYS  68          1HZ       LYS  68  10.943  10.958  -0.399
  563   2HZ   LYS  68          2HZ       LYS  68  11.110   9.277  -0.214
  564   3HZ   LYS  68          3HZ       LYS  68  12.481  10.246  -0.477
  565    H    TYR  69           H        TYR  69   6.409  11.334   4.977
  566    HA   TYR  69           HA       TYR  69   4.842  13.794   4.888
  567   1HB   TYR  69          2HB       TYR  69   3.773  11.638   4.660
  568   2HB   TYR  69          1HB       TYR  69   4.523  11.045   6.138
  569    HD1  TYR  69           1HD      TYR  69   2.652  14.201   5.299
  570    HD2  TYR  69           2HD      TYR  69   2.908  10.701   7.775
  571    HE1  TYR  69           1HE      TYR  69   0.701  14.987   6.614
  572    HE2  TYR  69           2HE      TYR  69   0.959  11.488   9.090
  573    HH   TYR  69           HH       TYR  69  -0.049  14.185   9.443
  574    H    GLU  70           H        GLU  70   6.157  11.802   7.573
  575    HA   GLU  70           HA       GLU  70   5.529  13.661   9.661
  576   1HB   GLU  70          2HB       GLU  70   7.515  11.408   9.326
  577   2HB   GLU  70          1HB       GLU  70   7.339  12.275  10.853
  578   1HG   GLU  70          2HG       GLU  70   4.856  11.755  10.736
  579   2HG   GLU  70          1HG       GLU  70   5.224  10.680   9.387
  580    H    LYS  71           H        LYS  71   8.000  13.803   7.243
  581    HA   LYS  71           HA       LYS  71   9.642  15.666   8.907
  582   1HB   LYS  71          2HB       LYS  71  10.407  13.518   7.536
  583   2HB   LYS  71          1HB       LYS  71  10.428  14.665   6.196
  584   1HG   LYS  71          2HG       LYS  71  12.045  16.039   7.249
  585   2HG   LYS  71          1HG       LYS  71  11.780  15.288   8.823
  586   1HD   LYS  71          2HD       LYS  71  12.780  13.672   6.481
  587   2HD   LYS  71          1HD       LYS  71  13.894  14.590   7.495
  588   1HE   LYS  71          2HE       LYS  71  12.664  13.393   9.486
  589   2HE   LYS  71          1HE       LYS  71  12.185  12.227   8.237
  590   1HZ   LYS  71          1HZ       LYS  71  14.966  13.163   8.707
  591   2HZ   LYS  71          2HZ       LYS  71  14.475  11.993   7.577
  592   3HZ   LYS  71          3HZ       LYS  71  14.349  11.678   9.242
  593    H    ASP  72           H        ASP  72   7.725  15.476   5.932
  594    HA   ASP  72           HA       ASP  72   8.510  18.234   5.162
  595   1HB   ASP  72          2HB       ASP  72   8.304  16.161   3.639
  596   2HB   ASP  72          1HB       ASP  72   6.560  16.391   3.779
  597    H    ILE  73           H        ILE  73   5.646  16.446   6.309
  598    HA   ILE  73           HA       ILE  73   3.727  18.514   5.844
  599    HB   ILE  73           HB       ILE  73   3.483  15.998   6.450
  600   1HG1  ILE  73          2HG1      ILE  73   1.268  16.577   7.686
  601   2HG1  ILE  73          1HG1      ILE  73   1.754  18.254   7.436
  602   1HG2  ILE  73          1HG2      ILE  73   3.265  17.079   9.264
  603   2HG2  ILE  73          2HG2      ILE  73   4.745  16.329   8.668
  604   3HG2  ILE  73          3HG2      ILE  73   3.249  15.397   8.735
  605   1HD1  ILE  73          1HD1      ILE  73   0.306  17.407   5.591
  606   2HD1  ILE  73          2HD1      ILE  73   1.522  16.180   5.234
  607   3HD1  ILE  73          3HD1      ILE  73   1.905  17.889   5.022
  608    H    ALA  74           H        ALA  74   6.180  18.180   8.305
  609    HA   ALA  74           HA       ALA  74   5.037  19.873  10.332
  610   1HB   ALA  74          1HB       ALA  74   7.341  19.919  11.161
  611   2HB   ALA  74          2HB       ALA  74   7.943  19.395   9.589
  612   3HB   ALA  74          3HB       ALA  74   6.974  18.298  10.572
  613    H    ALA  75           H        ALA  75   7.268  20.548   7.623
  614    HA   ALA  75           HA       ALA  75   7.237  23.444   8.148
  615   1HB   ALA  75          1HB       ALA  75   8.662  23.397   6.056
  616   2HB   ALA  75          2HB       ALA  75   8.395  21.655   5.987
  617   3HB   ALA  75          3HB       ALA  75   9.257  22.362   7.353
  618    H    TYR  76           H        TYR  76   5.611  21.139   6.048
  619    HA   TYR  76           HA       TYR  76   4.608  22.970   4.071
  620   1HB   TYR  76          2HB       TYR  76   4.705  20.448   3.983
  621   2HB   TYR  76          1HB       TYR  76   3.361  20.410   5.125
  622    HD1  TYR  76           1HD      TYR  76   1.115  20.993   4.450
  623    HD2  TYR  76           2HD      TYR  76   4.398  21.380   1.707
  624    HE1  TYR  76           1HE      TYR  76  -0.484  21.302   2.580
  625    HE2  TYR  76           2HE      TYR  76   2.799  21.689  -0.164
  626    HH   TYR  76           HH       TYR  76  -0.319  20.865  -0.069
  627    H    ARG  77           H        ARG  77   3.263  21.797   7.159
  628    HA   ARG  77           HA       ARG  77   0.725  23.127   6.970
  629   1HB   ARG  77          2HB       ARG  77   2.467  22.042   9.181
  630   2HB   ARG  77          1HB       ARG  77   0.948  22.855   9.561
  631   1HG   ARG  77          2HG       ARG  77  -0.129  21.273   7.838
  632   2HG   ARG  77          1HG       ARG  77   1.365  20.341   7.942
  633   1HD   ARG  77          2HD       ARG  77   0.986  19.724  10.166
  634   2HD   ARG  77          1HD       ARG  77  -0.069  21.118  10.474
  635    HE   ARG  77           HE       ARG  77  -1.830  20.012   9.199
  636   1HH1  ARG  77          1HH1      ARG  77  -0.743  17.891  11.148
  637   2HH1  ARG  77          2HH1      ARG  77  -0.668  16.509  10.105
  638   1HH2  ARG  77          1HH2      ARG  77  -0.960  18.362   7.189
  639   2HH2  ARG  77          2HH2      ARG  77  -0.791  16.776   7.865
  640    H    ALA  78           H        ALA  78   3.235  24.026   9.346
  641    HA   ALA  78           HA       ALA  78   3.883  26.141  10.173
  642   1HB   ALA  78          1HB       ALA  78   4.551  27.638   8.456
  643   2HB   ALA  78          2HB       ALA  78   3.247  27.121   7.387
  644   3HB   ALA  78          3HB       ALA  78   4.616  26.051   7.690
  645    H    LYS  79           H        LYS  79   1.251  25.566  10.812
  646    HA   LYS  79           HA       LYS  79  -0.403  27.920  10.071
  647   1HB   LYS  79          2HB       LYS  79  -0.764  25.181  11.123
  648   2HB   LYS  79          1HB       LYS  79  -1.897  26.376  11.749
  649   1HG   LYS  79          2HG       LYS  79  -2.430  27.049   9.413
  650   2HG   LYS  79          1HG       LYS  79  -1.361  25.775   8.826
  651   1HD   LYS  79          2HD       LYS  79  -2.734  24.085   9.994
  652   2HD   LYS  79          1HD       LYS  79  -3.811  25.361  10.565
  653   1HE   LYS  79          2HE       LYS  79  -3.256  24.978   7.614
  654   2HE   LYS  79          1HE       LYS  79  -4.563  24.109   8.443
  655   1HZ   LYS  79          1HZ       LYS  79  -5.355  26.248   9.303
  656   2HZ   LYS  79          2HZ       LYS  79  -5.391  26.204   7.605
  657   3HZ   LYS  79          3HZ       LYS  79  -4.160  27.053   8.410
  Start of MODEL   10
    1   1H    MET   1          1HT       MET   1  -8.842  23.409   1.467
    2   2H    MET   1          2HT       MET   1  -9.999  23.440   2.713
    3   3H    MET   1          3HT       MET   1 -10.384  24.051   1.175
    4    HA   MET   1           HA       MET   1 -11.400  21.885   1.438
    5   1HB   MET   1          2HB       MET   1  -9.962  22.879  -0.634
    6   2HB   MET   1          1HB       MET   1  -9.092  21.369  -0.365
    7   1HG   MET   1          2HG       MET   1 -10.934  20.053  -0.883
    8   2HG   MET   1          1HG       MET   1 -12.087  21.312  -0.439
    9   1HE   MET   1          1HE       MET   1 -13.287  22.879  -2.714
   10   2HE   MET   1          2HE       MET   1 -13.491  21.331  -1.897
   11   3HE   MET   1          3HE       MET   1 -13.402  21.385  -3.656
   12    H    LYS   2           H        LYS   2 -10.412  19.444   0.947
   13    HA   LYS   2           HA       LYS   2  -9.029  18.724   3.441
   14   1HB   LYS   2          2HB       LYS   2 -10.445  17.374   1.173
   15   2HB   LYS   2          1HB       LYS   2  -9.360  16.404   2.169
   16   1HG   LYS   2          2HG       LYS   2 -11.501  16.226   3.204
   17   2HG   LYS   2          1HG       LYS   2 -10.592  17.369   4.194
   18   1HD   LYS   2          2HD       LYS   2 -11.788  19.210   3.406
   19   2HD   LYS   2          1HD       LYS   2 -12.264  18.391   1.917
   20   1HE   LYS   2          2HE       LYS   2 -13.417  16.791   3.854
   21   2HE   LYS   2          1HE       LYS   2 -13.587  18.420   4.537
   22   1HZ   LYS   2          1HZ       LYS   2 -14.324  17.609   1.774
   23   2HZ   LYS   2          2HZ       LYS   2 -14.439  19.184   2.401
   24   3HZ   LYS   2          3HZ       LYS   2 -15.414  17.943   3.030
   25    H    LYS   3           H        LYS   3  -8.449  18.011  -0.027
   26    HA   LYS   3           HA       LYS   3  -5.819  16.976   0.271
   27   1HB   LYS   3          2HB       LYS   3  -7.492  16.977  -1.713
   28   2HB   LYS   3          1HB       LYS   3  -6.794  18.546  -2.118
   29   1HG   LYS   3          2HG       LYS   3  -4.560  17.551  -2.249
   30   2HG   LYS   3          1HG       LYS   3  -5.211  15.983  -1.769
   31   1HD   LYS   3          2HD       LYS   3  -6.713  16.082  -3.798
   32   2HD   LYS   3          1HD       LYS   3  -5.820  17.515  -4.310
   33   1HE   LYS   3          2HE       LYS   3  -3.707  16.188  -4.265
   34   2HE   LYS   3          1HE       LYS   3  -4.655  14.744  -3.852
   35   1HZ   LYS   3          1HZ       LYS   3  -4.348  14.937  -6.255
   36   2HZ   LYS   3          2HZ       LYS   3  -5.086  16.468  -6.237
   37   3HZ   LYS   3          3HZ       LYS   3  -5.985  15.082  -5.836
   38    H    LYS   4           H        LYS   4  -4.276  18.171   1.362
   39    HA   LYS   4           HA       LYS   4  -4.074  21.007   1.460
   40   1HB   LYS   4          2HB       LYS   4  -2.199  18.689   1.904
   41   2HB   LYS   4          1HB       LYS   4  -1.629  20.349   2.088
   42   1HG   LYS   4          2HG       LYS   4  -3.280  20.802   3.791
   43   2HG   LYS   4          1HG       LYS   4  -4.071  19.251   3.506
   44   1HD   LYS   4          2HD       LYS   4  -2.279  18.030   4.446
   45   2HD   LYS   4          1HD       LYS   4  -1.171  19.398   4.324
   46   1HE   LYS   4          2HE       LYS   4  -1.792  19.281   6.640
   47   2HE   LYS   4          1HE       LYS   4  -2.762  20.606   5.967
   48   1HZ   LYS   4          1HZ       LYS   4  -4.164  19.065   7.196
   49   2HZ   LYS   4          2HZ       LYS   4  -3.631  17.774   6.228
   50   3HZ   LYS   4          3HZ       LYS   4  -4.552  19.029   5.546
   51    H    ASP   5           H        ASP   5  -1.614  18.965  -0.131
   52    HA   ASP   5           HA       ASP   5  -1.803  20.489  -2.648
   53   1HB   ASP   5          2HB       ASP   5   0.227  20.938  -0.502
   54   2HB   ASP   5          1HB       ASP   5   0.788  20.997  -2.173
   55    HA   PRO   6           HA       PRO   6   0.057  16.817  -4.226
   56   1HB   PRO   6          2HB       PRO   6   1.712  17.709  -6.212
   57   2HB   PRO   6          1HB       PRO   6  -0.057  17.714  -6.356
   58   1HG   PRO   6          2HG       PRO   6   1.796  19.954  -5.727
   59   2HG   PRO   6          1HG       PRO   6   0.326  19.946  -6.712
   60   1HD   PRO   6          2HD       PRO   6   0.431  20.895  -4.154
   61   2HD   PRO   6          1HD       PRO   6  -1.042  20.244  -4.906
   62    H    ASN   7           H        ASN   7   2.548  19.382  -3.955
   63    HA   ASN   7           HA       ASN   7   4.694  17.472  -3.437
   64   1HB   ASN   7          2HB       ASN   7   4.442  20.487  -3.218
   65   2HB   ASN   7          1HB       ASN   7   5.964  19.610  -3.057
   66   1HD2  ASN   7          1HD2      ASN   7   6.921  20.431  -5.019
   67   2HD2  ASN   7          2HD2      ASN   7   6.316  20.039  -6.556
   68    H    ALA   8           H        ALA   8   2.234  18.767  -1.439
   69    HA   ALA   8           HA       ALA   8   3.838  18.880   1.029
   70   1HB   ALA   8          1HB       ALA   8   1.927  20.388   0.586
   71   2HB   ALA   8          2HB       ALA   8   1.612  19.391   2.006
   72   3HB   ALA   8          3HB       ALA   8   0.854  18.994   0.463
   73    HA   PRO   9           HA       PRO   9   3.311  14.549   1.821
   74   1HB   PRO   9          2HB       PRO   9   3.696  14.513   4.529
   75   2HB   PRO   9          1HB       PRO   9   5.021  14.702   3.366
   76   1HG   PRO   9          2HG       PRO   9   3.613  16.767   4.984
   77   2HG   PRO   9          1HG       PRO   9   5.334  16.618   4.591
   78   1HD   PRO   9          2HD       PRO   9   3.662  18.345   3.317
   79   2HD   PRO   9          1HD       PRO   9   5.089  17.622   2.541
   80    H    LYS  10           H        LYS  10   1.055  14.352   1.356
   81    HA   LYS  10           HA       LYS  10  -1.052  15.233   3.089
   82   1HB   LYS  10          2HB       LYS  10  -0.663  13.628   0.677
   83   2HB   LYS  10          1HB       LYS  10  -2.035  13.093   1.641
   84   1HG   LYS  10          2HG       LYS  10  -3.197  15.056   1.319
   85   2HG   LYS  10          1HG       LYS  10  -1.730  16.027   1.193
   86   1HD   LYS  10          2HD       LYS  10  -2.748  15.931  -1.002
   87   2HD   LYS  10          1HD       LYS  10  -1.290  14.939  -1.035
   88   1HE   LYS  10          2HE       LYS  10  -2.982  13.010  -0.327
   89   2HE   LYS  10          1HE       LYS  10  -4.160  14.080  -1.113
   90   1HZ   LYS  10          1HZ       LYS  10  -2.670  14.229  -3.027
   91   2HZ   LYS  10          2HZ       LYS  10  -3.142  12.622  -2.743
   92   3HZ   LYS  10          3HZ       LYS  10  -1.592  13.149  -2.288
   93    H    ARG  11           H        ARG  11  -2.676  13.171   3.713
   94    HA   ARG  11           HA       ARG  11  -1.711  12.038   6.091
   95   1HB   ARG  11          2HB       ARG  11  -3.882  11.449   4.122
   96   2HB   ARG  11          1HB       ARG  11  -3.582  10.257   5.388
   97   1HG   ARG  11          2HG       ARG  11  -4.125  11.753   7.106
   98   2HG   ARG  11          1HG       ARG  11  -3.828  13.170   6.098
   99   1HD   ARG  11          2HD       ARG  11  -5.826  12.461   4.689
  100   2HD   ARG  11          1HD       ARG  11  -6.188  11.270   5.954
  101    HE   ARG  11           HE       ARG  11  -6.309  13.183   7.565
  102   1HH1  ARG  11          1HH1      ARG  11  -8.327  13.404   5.184
  103   2HH1  ARG  11          2HH1      ARG  11  -8.253  15.111   4.896
  104   1HH2  ARG  11          1HH2      ARG  11  -5.372  15.571   6.770
  105   2HH2  ARG  11          2HH2      ARG  11  -6.581  16.337   5.794
  106    HA   PRO  12           HA       PRO  12   1.039   8.911   4.497
  107   1HB   PRO  12          2HB       PRO  12   1.483   7.524   6.810
  108   2HB   PRO  12          1HB       PRO  12   2.239   9.091   6.461
  109   1HG   PRO  12          2HG       PRO  12  -0.081   8.456   8.201
  110   2HG   PRO  12          1HG       PRO  12   1.201   9.656   8.414
  111   1HD   PRO  12          2HD       PRO  12  -1.334  10.244   7.543
  112   2HD   PRO  12          1HD       PRO  12   0.100  11.234   7.197
  113    HA   PRO  13           HA       PRO  13  -2.060   5.690   4.058
  114   1HB   PRO  13          2HB       PRO  13  -0.850   4.307   2.041
  115   2HB   PRO  13          1HB       PRO  13  -1.728   5.825   1.776
  116   1HG   PRO  13          2HG       PRO  13   1.171   5.309   1.800
  117   2HG   PRO  13          1HG       PRO  13   0.251   6.563   0.962
  118   1HD   PRO  13          2HD       PRO  13   1.742   6.866   3.331
  119   2HD   PRO  13          1HD       PRO  13   0.616   8.043   2.627
  120    H    SER  14           H        SER  14  -1.924   3.155   3.987
  121    HA   SER  14           HA       SER  14   0.521   2.006   5.176
  122   1HB   SER  14          2HB       SER  14  -0.771   3.144   7.013
  123   2HB   SER  14          1HB       SER  14  -2.117   2.060   6.675
  124    HG   SER  14           HG       SER  14  -0.406   1.500   8.357
  125    H    ALA  15           H        ALA  15  -0.122   1.017   2.872
  126    HA   ALA  15           HA       ALA  15  -0.715  -0.922   1.722
  127   1HB   ALA  15          1HB       ALA  15  -1.807  -2.488   3.887
  128   2HB   ALA  15          2HB       ALA  15  -0.367  -1.642   4.453
  129   3HB   ALA  15          3HB       ALA  15  -0.272  -2.699   3.046
  130    H    PHE  16           H        PHE  16  -3.190  -1.120   4.312
  131    HA   PHE  16           HA       PHE  16  -5.396  -1.723   2.727
  132   1HB   PHE  16          2HB       PHE  16  -5.065  -1.488   5.280
  133   2HB   PHE  16          1HB       PHE  16  -5.505   0.203   5.048
  134    HD1  PHE  16           1HD      PHE  16  -7.742   0.718   5.400
  135    HD2  PHE  16           2HD      PHE  16  -6.710  -3.150   3.844
  136    HE1  PHE  16           1HE      PHE  16 -10.141   0.095   5.354
  137    HE2  PHE  16           2HE      PHE  16  -9.110  -3.773   3.800
  138    HZ   PHE  16           HZ       PHE  16 -10.826  -2.151   4.555
  139    H    PHE  17           H        PHE  17  -4.203   1.541   3.540
  140    HA   PHE  17           HA       PHE  17  -6.257   3.017   2.188
  141   1HB   PHE  17          2HB       PHE  17  -4.465   3.754   3.891
  142   2HB   PHE  17          1HB       PHE  17  -3.363   3.844   2.517
  143    HD1  PHE  17           1HD      PHE  17  -6.112   5.439   4.269
  144    HD2  PHE  17           2HD      PHE  17  -3.916   5.358   0.577
  145    HE1  PHE  17           1HE      PHE  17  -7.029   7.665   3.674
  146    HE2  PHE  17           2HE      PHE  17  -4.833   7.585  -0.017
  147    HZ   PHE  17           HZ       PHE  17  -6.389   8.739   1.532
  148    H    LEU  18           H        LEU  18  -3.343   1.393   1.035
  149    HA   LEU  18           HA       LEU  18  -3.435   2.721  -1.600
  150   1HB   LEU  18          2HB       LEU  18  -1.765   0.347  -0.725
  151   2HB   LEU  18          1HB       LEU  18  -1.395   1.513  -1.988
  152    HG   LEU  18           HG       LEU  18  -1.475   2.066   0.997
  153   1HD1  LEU  18          1HD1      LEU  18   0.518   0.848   0.351
  154   2HD1  LEU  18          2HD1      LEU  18   0.962   2.534   0.618
  155   3HD1  LEU  18          3HD1      LEU  18   0.777   1.919  -1.025
  156   1HD2  LEU  18          1HD2      LEU  18  -1.210   3.841  -1.425
  157   2HD2  LEU  18          2HD2      LEU  18  -0.389   4.280   0.073
  158   3HD2  LEU  18          3HD2      LEU  18  -2.145   4.108   0.046
  159    H    PHE  19           H        PHE  19  -4.424  -0.320  -0.112
  160    HA   PHE  19           HA       PHE  19  -4.833  -1.758  -2.612
  161   1HB   PHE  19          2HB       PHE  19  -4.341  -2.763  -0.375
  162   2HB   PHE  19          1HB       PHE  19  -5.922  -2.220   0.184
  163    HD1  PHE  19           1HD      PHE  19  -8.004  -3.095  -0.941
  164    HD2  PHE  19           2HD      PHE  19  -4.104  -4.723  -1.711
  165    HE1  PHE  19           1HE      PHE  19  -9.044  -5.133  -1.899
  166    HE2  PHE  19           2HE      PHE  19  -5.144  -6.760  -2.669
  167    HZ   PHE  19           HZ       PHE  19  -7.613  -6.965  -2.763
  168    H    CYS  20           H        CYS  20  -7.104  -0.416  -0.181
  169    HA   CYS  20           HA       CYS  20  -9.486  -0.866  -1.710
  170   1HB   CYS  20          2HB       CYS  20  -9.147  -0.317   0.780
  171   2HB   CYS  20          1HB       CYS  20  -9.008   1.368   0.277
  172    HG   CYS  20           HG       CYS  20 -11.482   0.681  -0.960
  173    H    SER  21           H        SER  21  -7.220   1.851  -1.577
  174    HA   SER  21           HA       SER  21  -8.796   3.688  -3.155
  175   1HB   SER  21          2HB       SER  21  -6.959   4.333  -1.643
  176   2HB   SER  21          1HB       SER  21  -5.810   3.467  -2.659
  177    HG   SER  21           HG       SER  21  -7.348   5.766  -3.275
  178    H    GLU  22           H        GLU  22  -6.809   0.944  -4.017
  179    HA   GLU  22           HA       GLU  22  -6.762   1.842  -6.869
  180   1HB   GLU  22          2HB       GLU  22  -5.047   0.144  -5.113
  181   2HB   GLU  22          1HB       GLU  22  -5.024  -0.146  -6.851
  182   1HG   GLU  22          2HG       GLU  22  -4.562   2.559  -5.558
  183   2HG   GLU  22          1HG       GLU  22  -3.275   1.485  -6.108
  184    H    TYR  23           H        TYR  23  -8.133  -0.530  -4.720
  185    HA   TYR  23           HA       TYR  23  -8.688  -2.466  -6.884
  186   1HB   TYR  23          2HB       TYR  23  -8.917  -2.295  -3.920
  187   2HB   TYR  23          1HB       TYR  23 -10.038  -3.381  -4.737
  188    HD1  TYR  23           1HD      TYR  23  -9.341  -5.554  -5.225
  189    HD2  TYR  23           2HD      TYR  23  -6.399  -2.459  -4.760
  190    HE1  TYR  23           1HE      TYR  23  -7.535  -7.231  -5.499
  191    HE2  TYR  23           2HE      TYR  23  -4.591  -4.136  -5.033
  192    HH   TYR  23           HH       TYR  23  -5.128  -7.461  -4.851
  193    H    ARG  24           H        ARG  24 -10.428   0.004  -5.025
  194    HA   ARG  24           HA       ARG  24 -13.096  -0.607  -5.524
  195   1HB   ARG  24          2HB       ARG  24 -11.580   2.001  -5.459
  196   2HB   ARG  24          1HB       ARG  24 -13.340   1.934  -5.574
  197   1HG   ARG  24          2HG       ARG  24 -13.558   0.866  -3.476
  198   2HG   ARG  24          1HG       ARG  24 -11.853   0.421  -3.431
  199   1HD   ARG  24          2HD       ARG  24 -11.559   2.291  -2.162
  200   2HD   ARG  24          1HD       ARG  24 -11.806   3.212  -3.659
  201    HE   ARG  24           HE       ARG  24 -14.359   2.833  -2.999
  202   1HH1  ARG  24          1HH1      ARG  24 -13.113   5.381  -2.095
  203   2HH1  ARG  24          2HH1      ARG  24 -13.404   5.355  -0.388
  204   1HH2  ARG  24          1HH2      ARG  24 -14.122   1.963  -0.294
  205   2HH2  ARG  24          2HH2      ARG  24 -13.975   3.420   0.631
  206    HA   PRO  25           HA       PRO  25 -12.906   1.690  -9.812
  207   1HB   PRO  25          2HB       PRO  25 -10.434   1.703 -11.022
  208   2HB   PRO  25          1HB       PRO  25 -11.070   3.058 -10.065
  209   1HG   PRO  25          2HG       PRO  25  -9.223   0.860  -9.223
  210   2HG   PRO  25          1HG       PRO  25  -9.097   2.606  -8.930
  211   1HD   PRO  25          2HD       PRO  25  -9.986   1.005  -7.026
  212   2HD   PRO  25          1HD       PRO  25 -10.762   2.581  -7.287
  213    H    LYS  26           H        LYS  26 -10.843  -1.018  -8.962
  214    HA   LYS  26           HA       LYS  26 -11.104  -2.500 -11.447
  215   1HB   LYS  26          2HB       LYS  26  -9.466  -2.736  -9.425
  216   2HB   LYS  26          1HB       LYS  26 -10.782  -3.645  -8.674
  217   1HG   LYS  26          2HG       LYS  26  -9.819  -4.322 -11.451
  218   2HG   LYS  26          1HG       LYS  26  -9.012  -4.980 -10.027
  219   1HD   LYS  26          2HD       LYS  26 -11.383  -5.681  -9.256
  220   2HD   LYS  26          1HD       LYS  26 -11.858  -5.401 -10.932
  221   1HE   LYS  26          2HE       LYS  26 -10.472  -7.128 -11.746
  222   2HE   LYS  26          1HE       LYS  26  -9.470  -7.137 -10.280
  223   1HZ   LYS  26          1HZ       LYS  26 -11.384  -7.872  -9.008
  224   2HZ   LYS  26          2HZ       LYS  26 -11.065  -8.969 -10.266
  225   3HZ   LYS  26          3HZ       LYS  26 -12.350  -7.866 -10.402
  226    H    ILE  27           H        ILE  27 -12.730  -2.563  -8.292
  227    HA   ILE  27           HA       ILE  27 -14.629  -4.617  -8.730
  228    HB   ILE  27           HB       ILE  27 -14.806  -2.017  -7.160
  229   1HG1  ILE  27          2HG1      ILE  27 -12.855  -3.459  -6.579
  230   2HG1  ILE  27          1HG1      ILE  27 -14.010  -3.332  -5.259
  231   1HG2  ILE  27          1HG2      ILE  27 -16.412  -3.347  -5.719
  232   2HG2  ILE  27          2HG2      ILE  27 -16.452  -4.552  -7.006
  233   3HG2  ILE  27          3HG2      ILE  27 -17.025  -2.913  -7.314
  234   1HD1  ILE  27          1HD1      ILE  27 -13.814  -5.635  -7.219
  235   2HD1  ILE  27          2HD1      ILE  27 -14.990  -5.503  -5.912
  236   3HD1  ILE  27          3HD1      ILE  27 -13.272  -5.657  -5.541
  237    H    LYS  28           H        LYS  28 -14.693  -1.183  -9.640
  238    HA   LYS  28           HA       LYS  28 -17.469  -1.109 -10.400
  239   1HB   LYS  28          2HB       LYS  28 -15.338   0.651 -11.612
  240   2HB   LYS  28          1HB       LYS  28 -16.986   1.072 -11.181
  241   1HG   LYS  28          2HG       LYS  28 -14.552   0.884  -9.458
  242   2HG   LYS  28          1HG       LYS  28 -15.750   2.151  -9.528
  243   1HD   LYS  28          2HD       LYS  28 -16.051  -0.562  -8.194
  244   2HD   LYS  28          1HD       LYS  28 -15.954   1.005  -7.408
  245   1HE   LYS  28          2HE       LYS  28 -18.134   0.495  -9.436
  246   2HE   LYS  28          1HE       LYS  28 -18.325  -0.033  -7.754
  247   1HZ   LYS  28          1HZ       LYS  28 -17.589   2.708  -8.636
  248   2HZ   LYS  28          2HZ       LYS  28 -17.740   2.197  -7.023
  249   3HZ   LYS  28          3HZ       LYS  28 -19.105   2.241  -8.034
  250    H    SER  29           H        SER  29 -14.488  -1.742 -12.234
  251    HA   SER  29           HA       SER  29 -15.549  -1.725 -14.865
  252   1HB   SER  29          2HB       SER  29 -13.149  -1.852 -14.162
  253   2HB   SER  29          1HB       SER  29 -13.411  -3.529 -13.688
  254    HG   SER  29           HG       SER  29 -13.471  -4.100 -15.731
  255    H    GLU  30           H        GLU  30 -15.863  -4.124 -12.326
  256    HA   GLU  30           HA       GLU  30 -17.233  -5.972 -14.254
  257   1HB   GLU  30          2HB       GLU  30 -15.277  -6.266 -12.084
  258   2HB   GLU  30          1HB       GLU  30 -16.638  -7.374 -11.922
  259   1HG   GLU  30          2HG       GLU  30 -15.210  -7.035 -14.558
  260   2HG   GLU  30          1HG       GLU  30 -14.622  -8.163 -13.336
  261    H    HIS  31           H        HIS  31 -17.551  -4.151 -11.279
  262    HA   HIS  31           HA       HIS  31 -20.322  -5.249 -10.926
  263   1HB   HIS  31          2HB       HIS  31 -18.515  -4.000  -8.828
  264   2HB   HIS  31          1HB       HIS  31 -20.023  -4.862  -8.549
  265    HD1  HIS  31           1HD      HIS  31 -16.397  -5.388  -9.233
  266    HD2  HIS  31           2HD      HIS  31 -19.824  -7.727  -8.830
  267    HE1  HIS  31           1HE      HIS  31 -15.606  -7.780  -9.005
  268    HA   PRO  32           HA       PRO  32 -20.822  -0.831 -11.976
  269   1HB   PRO  32          2HB       PRO  32 -23.290  -1.098 -13.124
  270   2HB   PRO  32          1HB       PRO  32 -21.777  -1.391 -13.996
  271   1HG   PRO  32          2HG       PRO  32 -23.705  -3.330 -12.863
  272   2HG   PRO  32          1HG       PRO  32 -22.704  -3.446 -14.317
  273   1HD   PRO  32          2HD       PRO  32 -22.150  -4.691 -11.921
  274   2HD   PRO  32          1HD       PRO  32 -20.954  -4.343 -13.188
  275    H    GLY  33           H        GLY  33 -23.023  -3.076 -10.398
  276   1HA   GLY  33          2HA       GLY  33 -24.626  -0.950  -9.174
  277   2HA   GLY  33          1HA       GLY  33 -24.783  -2.678  -8.873
  278    H    LEU  34           H        LEU  34 -21.671  -2.566  -8.434
  279    HA   LEU  34           HA       LEU  34 -21.658  -2.646  -5.600
  280   1HB   LEU  34          2HB       LEU  34 -19.830  -2.837  -7.824
  281   2HB   LEU  34          1HB       LEU  34 -19.083  -1.871  -6.560
  282    HG   LEU  34           HG       LEU  34 -18.613  -4.318  -6.341
  283   1HD1  LEU  34          1HD1      LEU  34 -20.007  -2.709  -4.243
  284   2HD1  LEU  34          2HD1      LEU  34 -18.336  -3.270  -4.306
  285   3HD1  LEU  34          3HD1      LEU  34 -19.627  -4.395  -3.890
  286   1HD2  LEU  34          1HD2      LEU  34 -21.298  -4.894  -5.255
  287   2HD2  LEU  34          2HD2      LEU  34 -20.251  -5.896  -6.260
  288   3HD2  LEU  34          3HD2      LEU  34 -21.260  -4.655  -7.002
  289    H    SER  35           H        SER  35 -22.863  -0.639  -5.016
  290    HA   SER  35           HA       SER  35 -21.804   2.004  -5.541
  291   1HB   SER  35          2HB       SER  35 -23.651   0.895  -3.402
  292   2HB   SER  35          1HB       SER  35 -23.417   2.611  -3.720
  293    HG   SER  35           HG       SER  35 -24.539   0.618  -5.385
  294    H    ILE  36           H        ILE  36 -21.325   3.387  -3.367
  295    HA   ILE  36           HA       ILE  36 -18.765   2.638  -2.398
  296    HB   ILE  36           HB       ILE  36 -20.907   4.433  -1.207
  297   1HG1  ILE  36          2HG1      ILE  36 -20.245   5.043  -3.507
  298   2HG1  ILE  36          1HG1      ILE  36 -19.657   6.235  -2.354
  299   1HG2  ILE  36          1HG2      ILE  36 -18.836   5.583  -0.205
  300   2HG2  ILE  36          2HG2      ILE  36 -17.967   4.096  -0.586
  301   3HG2  ILE  36          3HG2      ILE  36 -19.329   4.058   0.533
  302   1HD1  ILE  36          1HD1      ILE  36 -18.064   4.027  -3.684
  303   2HD1  ILE  36          2HD1      ILE  36 -17.449   4.986  -2.338
  304   3HD1  ILE  36          3HD1      ILE  36 -17.844   5.767  -3.869
  305    H    GLY  37           H        GLY  37 -21.996   2.062  -1.019
  306   1HA   GLY  37          2HA       GLY  37 -21.214   1.056   1.519
  307   2HA   GLY  37          1HA       GLY  37 -22.692   0.590   0.675
  308    H    ASP  38           H        ASP  38 -22.048  -0.849  -1.399
  309    HA   ASP  38           HA       ASP  38 -20.996  -3.338  -0.368
  310   1HB   ASP  38          2HB       ASP  38 -21.619  -2.297  -3.150
  311   2HB   ASP  38          1HB       ASP  38 -21.232  -3.980  -2.798
  312    H    THR  39           H        THR  39 -19.645  -0.805  -2.491
  313    HA   THR  39           HA       THR  39 -17.198  -2.125  -3.169
  314    HB   THR  39           HB       THR  39 -17.830   0.813  -2.779
  315    HG1  THR  39           1HG      THR  39 -17.993  -0.940  -4.997
  316   1HG2  THR  39          1HG2      THR  39 -15.560  -0.642  -4.144
  317   2HG2  THR  39          2HG2      THR  39 -15.459   0.623  -2.920
  318   3HG2  THR  39          3HG2      THR  39 -15.987   1.019  -4.556
  319    H    ALA  40           H        ALA  40 -18.218  -0.477  -0.247
  320    HA   ALA  40           HA       ALA  40 -15.503  -0.280   0.862
  321   1HB   ALA  40          1HB       ALA  40 -18.276   0.108   2.038
  322   2HB   ALA  40          2HB       ALA  40 -17.269   1.372   1.331
  323   3HB   ALA  40          3HB       ALA  40 -16.769   0.577   2.823
  324    H    LYS  41           H        LYS  41 -18.452  -2.174   1.618
  325    HA   LYS  41           HA       LYS  41 -17.027  -3.830   3.554
  326   1HB   LYS  41          2HB       LYS  41 -19.210  -4.896   3.819
  327   2HB   LYS  41          1HB       LYS  41 -19.396  -3.146   3.779
  328   1HG   LYS  41          2HG       LYS  41 -19.861  -3.409   1.272
  329   2HG   LYS  41          1HG       LYS  41 -20.003  -5.134   1.585
  330   1HD   LYS  41          2HD       LYS  41 -22.222  -4.205   1.714
  331   2HD   LYS  41          1HD       LYS  41 -21.715  -4.587   3.358
  332   1HE   LYS  41          2HE       LYS  41 -20.801  -1.978   3.025
  333   2HE   LYS  41          1HE       LYS  41 -22.364  -1.979   2.184
  334   1HZ   LYS  41          1HZ       LYS  41 -21.861  -3.026   4.921
  335   2HZ   LYS  41          2HZ       LYS  41 -23.351  -3.077   4.106
  336   3HZ   LYS  41          3HZ       LYS  41 -22.672  -1.584   4.549
  337    H    LYS  42           H        LYS  42 -17.373  -3.991   0.120
  338    HA   LYS  42           HA       LYS  42 -17.235  -6.931  -0.037
  339   1HB   LYS  42          2HB       LYS  42 -18.386  -5.376  -1.662
  340   2HB   LYS  42          1HB       LYS  42 -16.795  -4.813  -2.171
  341   1HG   LYS  42          2HG       LYS  42 -17.416  -6.500  -3.725
  342   2HG   LYS  42          1HG       LYS  42 -16.271  -7.284  -2.632
  343   1HD   LYS  42          2HD       LYS  42 -19.067  -7.397  -1.701
  344   2HD   LYS  42          1HD       LYS  42 -18.794  -8.238  -3.223
  345   1HE   LYS  42          2HE       LYS  42 -16.628  -8.812  -1.384
  346   2HE   LYS  42          1HE       LYS  42 -18.187  -9.193  -0.639
  347   1HZ   LYS  42          1HZ       LYS  42 -17.253 -10.070  -3.318
  348   2HZ   LYS  42          2HZ       LYS  42 -18.820 -10.329  -2.714
  349   3HZ   LYS  42          3HZ       LYS  42 -17.485 -11.060  -1.961
  350    H    LEU  43           H        LEU  43 -15.077  -4.309  -1.201
  351    HA   LEU  43           HA       LEU  43 -12.776  -5.826  -1.720
  352   1HB   LEU  43          2HB       LEU  43 -13.234  -3.010  -0.729
  353   2HB   LEU  43          1HB       LEU  43 -11.623  -3.592  -1.151
  354    HG   LEU  43           HG       LEU  43 -14.008  -3.722  -3.015
  355   1HD1  LEU  43          1HD1      LEU  43 -11.730  -1.887  -3.542
  356   2HD1  LEU  43          2HD1      LEU  43 -12.835  -1.405  -2.255
  357   3HD1  LEU  43          3HD1      LEU  43 -13.447  -1.679  -3.885
  358   1HD2  LEU  43          1HD2      LEU  43 -11.958  -3.929  -4.644
  359   2HD2  LEU  43          2HD2      LEU  43 -12.483  -5.348  -3.736
  360   3HD2  LEU  43          3HD2      LEU  43 -11.087  -4.419  -3.192
  361    H    GLY  44           H        GLY  44 -14.089  -4.878   1.390
  362   1HA   GLY  44          2HA       GLY  44 -11.679  -5.220   2.938
  363   2HA   GLY  44          1HA       GLY  44 -13.321  -5.223   3.583
  364    H    GLU  45           H        GLU  45 -14.347  -7.391   2.043
  365    HA   GLU  45           HA       GLU  45 -13.702  -9.638   3.643
  366   1HB   GLU  45          2HB       GLU  45 -15.717  -9.237   2.170
  367   2HB   GLU  45          1HB       GLU  45 -14.706  -9.640   0.782
  368   1HG   GLU  45          2HG       GLU  45 -14.188 -11.841   1.898
  369   2HG   GLU  45          1HG       GLU  45 -15.394 -11.439   3.120
  370    H    MET  46           H        MET  46 -12.278  -8.536   0.589
  371    HA   MET  46           HA       MET  46 -10.688 -10.941   0.149
  372   1HB   MET  46          2HB       MET  46 -10.643  -8.107  -0.929
  373   2HB   MET  46          1HB       MET  46  -9.592  -9.387  -1.537
  374   1HG   MET  46          2HG       MET  46 -11.503 -10.720  -2.206
  375   2HG   MET  46          1HG       MET  46 -12.615  -9.581  -1.447
  376   1HE   MET  46          1HE       MET  46 -12.874 -10.494  -4.594
  377   2HE   MET  46          2HE       MET  46 -11.166 -10.867  -4.374
  378   3HE   MET  46          3HE       MET  46 -11.660  -9.753  -5.647
  379    H    TRP  47           H        TRP  47  -9.887  -7.613   1.212
  380    HA   TRP  47           HA       TRP  47  -7.154  -7.822   1.685
  381   1HB   TRP  47          2HB       TRP  47  -8.656  -5.829   1.959
  382   2HB   TRP  47          1HB       TRP  47  -9.177  -6.492   3.510
  383    HD1  TRP  47           HD       TRP  47  -7.855  -5.644   5.497
  384    HE1  TRP  47           1HE      TRP  47  -5.487  -4.699   5.883
  385    HE3  TRP  47           3HE      TRP  47  -5.967  -6.038   0.768
  386    HZ2  TRP  47           2HZ      TRP  47  -3.107  -4.179   4.383
  387    HZ3  TRP  47           3HZ      TRP  47  -3.650  -5.312   0.275
  388    HH2  TRP  47           HH       TRP  47  -2.219  -4.384   2.075
  389    H    SER  48           H        SER  48  -9.753  -8.972   3.864
  390    HA   SER  48           HA       SER  48  -7.853  -9.834   5.924
  391   1HB   SER  48          2HB       SER  48 -10.215  -8.995   6.270
  392   2HB   SER  48          1HB       SER  48 -10.790 -10.492   5.541
  393    HG   SER  48           HG       SER  48  -9.772 -10.012   8.037
  394    H    GLU  49           H        GLU  49  -9.484 -11.264   3.157
  395    HA   GLU  49           HA       GLU  49  -9.239 -14.036   3.846
  396   1HB   GLU  49          2HB       GLU  49  -9.635 -12.361   1.414
  397   2HB   GLU  49          1HB       GLU  49  -9.120 -14.026   1.148
  398   1HG   GLU  49          2HG       GLU  49 -10.998 -14.821   2.554
  399   2HG   GLU  49          1HG       GLU  49 -11.526 -13.153   2.775
  400    H    GLN  50           H        GLN  50  -7.036 -11.822   2.117
  401    HA   GLN  50           HA       GLN  50  -5.027 -13.786   1.477
  402   1HB   GLN  50          2HB       GLN  50  -3.631 -11.746   1.119
  403   2HB   GLN  50          1HB       GLN  50  -5.223 -11.598   0.376
  404   1HG   GLN  50          2HG       GLN  50  -5.784  -9.849   1.695
  405   2HG   GLN  50          1HG       GLN  50  -5.225 -10.671   3.151
  406   1HE2  GLN  50          1HE2      GLN  50  -2.636 -10.818   3.192
  407   2HE2  GLN  50          2HE2      GLN  50  -1.837  -9.377   2.788
  408    H    SER  51           H        SER  51  -2.755 -13.660   2.479
  409    HA   SER  51           HA       SER  51  -2.655 -12.868   5.325
  410   1HB   SER  51          2HB       SER  51  -2.409 -15.743   4.384
  411   2HB   SER  51          1HB       SER  51  -2.170 -15.188   6.039
  412    HG   SER  51           HG       SER  51  -4.407 -15.934   4.971
  413    H    ALA  52           H        ALA  52  -0.761 -11.699   5.136
  414    HA   ALA  52           HA       ALA  52   1.514 -11.215   4.716
  415   1HB   ALA  52          1HB       ALA  52   2.954 -12.969   5.431
  416   2HB   ALA  52          2HB       ALA  52   1.845 -14.216   4.862
  417   3HB   ALA  52          3HB       ALA  52   1.440 -13.259   6.287
  418    H    LYS  53           H        LYS  53  -0.062 -11.476   2.338
  419    HA   LYS  53           HA       LYS  53   2.032 -12.466   0.446
  420   1HB   LYS  53          2HB       LYS  53  -0.865 -13.227   0.707
  421   2HB   LYS  53          1HB       LYS  53  -0.104 -13.264  -0.884
  422   1HG   LYS  53          2HG       LYS  53   1.415 -14.933  -0.263
  423   2HG   LYS  53          1HG       LYS  53   1.255 -14.575   1.456
  424   1HD   LYS  53          2HD       LYS  53  -0.715 -15.767   1.666
  425   2HD   LYS  53          1HD       LYS  53  -1.179 -15.496  -0.014
  426   1HE   LYS  53          2HE       LYS  53   1.283 -17.125   0.487
  427   2HE   LYS  53          1HE       LYS  53  -0.295 -17.886   0.780
  428   1HZ   LYS  53          1HZ       LYS  53   0.529 -16.463  -1.697
  429   2HZ   LYS  53          2HZ       LYS  53  -1.017 -17.106  -1.408
  430   3HZ   LYS  53          3HZ       LYS  53   0.327 -18.139  -1.535
  431    H    ASP  54           H        ASP  54  -1.271 -11.229  -0.079
  432    HA   ASP  54           HA       ASP  54  -0.533  -9.432  -2.172
  433   1HB   ASP  54          2HB       ASP  54  -2.803 -10.417  -1.569
  434   2HB   ASP  54          1HB       ASP  54  -2.902  -9.198  -0.298
  435    H    LYS  55           H        LYS  55  -0.531  -9.035   1.321
  436    HA   LYS  55           HA       LYS  55  -0.364  -6.107   1.222
  437   1HB   LYS  55          2HB       LYS  55  -1.437  -7.386   3.058
  438   2HB   LYS  55          1HB       LYS  55   0.121  -8.114   3.449
  439   1HG   LYS  55          2HG       LYS  55   1.030  -6.057   4.177
  440   2HG   LYS  55          1HG       LYS  55  -0.225  -5.118   3.369
  441   1HD   LYS  55          2HD       LYS  55  -1.127  -5.034   5.469
  442   2HD   LYS  55          1HD       LYS  55  -1.763  -6.617   5.025
  443   1HE   LYS  55          2HE       LYS  55   0.998  -6.543   6.169
  444   2HE   LYS  55          1HE       LYS  55  -0.359  -6.277   7.282
  445   1HZ   LYS  55          1HZ       LYS  55  -0.015  -8.620   7.104
  446   2HZ   LYS  55          2HZ       LYS  55   0.000  -8.553   5.406
  447   3HZ   LYS  55          3HZ       LYS  55  -1.438  -8.249   6.259
  448    H    GLN  56           H        GLN  56   1.882  -8.831   1.558
  449    HA   GLN  56           HA       GLN  56   4.223  -7.704   2.504
  450   1HB   GLN  56          2HB       GLN  56   3.452  -9.817   0.598
  451   2HB   GLN  56          1HB       GLN  56   5.113  -9.252   0.412
  452   1HG   GLN  56          2HG       GLN  56   4.055  -9.869   3.157
  453   2HG   GLN  56          1HG       GLN  56   4.590 -11.186   2.114
  454   1HE2  GLN  56          1HE2      GLN  56   5.703  -9.032   4.440
  455   2HE2  GLN  56          2HE2      GLN  56   7.355  -9.051   4.048
  456    HA   PRO  57           HA       PRO  57   5.410  -5.805  -1.683
  457   1HB   PRO  57          2HB       PRO  57   3.668  -5.867  -3.771
  458   2HB   PRO  57          1HB       PRO  57   4.806  -7.187  -3.434
  459   1HG   PRO  57          2HG       PRO  57   1.906  -7.008  -2.898
  460   2HG   PRO  57          1HG       PRO  57   2.884  -8.412  -3.335
  461   1HD   PRO  57          2HD       PRO  57   1.984  -7.811  -0.782
  462   2HD   PRO  57          1HD       PRO  57   3.332  -8.903  -1.168
  463    H    TYR  58           H        TYR  58   1.906  -5.550  -1.108
  464    HA   TYR  58           HA       TYR  58   1.817  -2.718  -1.869
  465   1HB   TYR  58          2HB       TYR  58   0.047  -4.926  -1.554
  466   2HB   TYR  58          1HB       TYR  58  -0.512  -3.670  -0.454
  467    HD1  TYR  58           1HD      TYR  58  -1.319  -1.528  -1.284
  468    HD2  TYR  58           2HD      TYR  58   0.160  -4.529  -3.979
  469    HE1  TYR  58           1HE      TYR  58  -2.283  -0.283  -3.201
  470    HE2  TYR  58           2HE      TYR  58  -0.805  -3.285  -5.894
  471    HH   TYR  58           HH       TYR  58  -2.616  -1.638  -6.290
  472    H    GLU  59           H        GLU  59   3.152  -4.022   0.824
  473    HA   GLU  59           HA       GLU  59   1.900  -2.069   2.710
  474   1HB   GLU  59          2HB       GLU  59   2.946  -3.466   4.444
  475   2HB   GLU  59          1HB       GLU  59   2.007  -4.466   3.347
  476   1HG   GLU  59          2HG       GLU  59   3.855  -5.720   3.021
  477   2HG   GLU  59          1HG       GLU  59   4.570  -4.340   2.191
  478    H    GLN  60           H        GLN  60   4.854  -2.796   0.983
  479    HA   GLN  60           HA       GLN  60   6.607  -1.110   2.581
  480   1HB   GLN  60          2HB       GLN  60   8.178  -1.564   0.749
  481   2HB   GLN  60          1HB       GLN  60   7.318  -3.042   1.167
  482   1HG   GLN  60          2HG       GLN  60   5.650  -2.250  -0.724
  483   2HG   GLN  60          1HG       GLN  60   7.037  -1.311  -1.269
  484   1HE2  GLN  60          1HE2      GLN  60   5.894  -3.601  -2.710
  485   2HE2  GLN  60          2HE2      GLN  60   7.104  -4.790  -2.779
  486    H    LYS  61           H        LYS  61   4.425  -0.603  -0.116
  487    HA   LYS  61           HA       LYS  61   5.421   1.811  -1.221
  488   1HB   LYS  61          2HB       LYS  61   3.593   0.421  -2.136
  489   2HB   LYS  61          1HB       LYS  61   2.566   0.873  -0.776
  490   1HG   LYS  61          2HG       LYS  61   2.380   3.106  -1.498
  491   2HG   LYS  61          1HG       LYS  61   3.799   2.983  -2.539
  492   1HD   LYS  61          2HD       LYS  61   2.538   1.339  -3.958
  493   2HD   LYS  61          1HD       LYS  61   1.108   1.659  -2.975
  494   1HE   LYS  61          2HE       LYS  61   1.655   4.189  -3.554
  495   2HE   LYS  61          1HE       LYS  61   2.489   3.457  -4.940
  496   1HZ   LYS  61          1HZ       LYS  61   0.523   2.234  -5.497
  497   2HZ   LYS  61          2HZ       LYS  61   0.098   3.873  -5.358
  498   3HZ   LYS  61          3HZ       LYS  61  -0.283   2.785  -4.110
  499    H    ALA  62           H        ALA  62   3.226   1.328   1.564
  500    HA   ALA  62           HA       ALA  62   2.902   4.167   2.088
  501   1HB   ALA  62          1HB       ALA  62   2.227   1.554   3.371
  502   2HB   ALA  62          2HB       ALA  62   1.165   2.889   2.923
  503   3HB   ALA  62          3HB       ALA  62   2.159   3.002   4.376
  504    H    ALA  63           H        ALA  63   5.489   1.988   2.674
  505    HA   ALA  63           HA       ALA  63   6.455   3.265   5.138
  506   1HB   ALA  63          1HB       ALA  63   8.241   1.651   4.907
  507   2HB   ALA  63          2HB       ALA  63   7.859   1.397   3.205
  508   3HB   ALA  63          3HB       ALA  63   6.743   0.841   4.452
  509    H    LYS  64           H        LYS  64   6.436   4.196   1.889
  510    HA   LYS  64           HA       LYS  64   9.106   5.502   1.958
  511   1HB   LYS  64          2HB       LYS  64   6.944   4.979  -0.089
  512   2HB   LYS  64          1HB       LYS  64   8.281   6.075  -0.431
  513   1HG   LYS  64          2HG       LYS  64   8.619   3.204   0.478
  514   2HG   LYS  64          1HG       LYS  64   8.710   3.729  -1.204
  515   1HD   LYS  64          2HD       LYS  64  10.508   5.389  -0.417
  516   2HD   LYS  64          1HD       LYS  64  10.558   4.449   1.075
  517   1HE   LYS  64          2HE       LYS  64  11.057   2.399  -0.241
  518   2HE   LYS  64          1HE       LYS  64  11.060   3.373  -1.725
  519   1HZ   LYS  64          1HZ       LYS  64  12.750   3.925   0.657
  520   2HZ   LYS  64          2HZ       LYS  64  12.790   4.752  -0.827
  521   3HZ   LYS  64          3HZ       LYS  64  13.297   3.133  -0.739
  522    H    LEU  65           H        LEU  65   5.650   6.195   1.955
  523    HA   LEU  65           HA       LEU  65   6.015   9.108   1.773
  524   1HB   LEU  65          2HB       LEU  65   3.773   7.128   1.997
  525   2HB   LEU  65          1HB       LEU  65   3.447   8.827   2.348
  526    HG   LEU  65           HG       LEU  65   4.703   9.276   0.106
  527   1HD1  LEU  65          1HD1      LEU  65   5.567   7.126  -0.408
  528   2HD1  LEU  65          2HD1      LEU  65   4.187   7.313  -1.491
  529   3HD1  LEU  65          3HD1      LEU  65   4.038   6.330  -0.032
  530   1HD2  LEU  65          1HD2      LEU  65   2.344   9.756   0.374
  531   2HD2  LEU  65          2HD2      LEU  65   1.937   8.042   0.288
  532   3HD2  LEU  65          3HD2      LEU  65   2.541   8.878  -1.143
  533    H    LYS  66           H        LYS  66   6.652   7.026   4.251
  534    HA   LYS  66           HA       LYS  66   5.408   8.674   6.394
  535   1HB   LYS  66          2HB       LYS  66   5.243   6.187   6.409
  536   2HB   LYS  66          1HB       LYS  66   7.003   6.088   6.447
  537   1HG   LYS  66          2HG       LYS  66   7.116   6.640   8.654
  538   2HG   LYS  66          1HG       LYS  66   5.826   7.835   8.521
  539   1HD   LYS  66          2HD       LYS  66   4.135   6.081   8.545
  540   2HD   LYS  66          1HD       LYS  66   5.384   4.835   8.535
  541   1HE   LYS  66          2HE       LYS  66   6.224   5.686  10.725
  542   2HE   LYS  66          1HE       LYS  66   4.891   6.859  10.748
  543   1HZ   LYS  66          1HZ       LYS  66   4.305   4.791  11.906
  544   2HZ   LYS  66          2HZ       LYS  66   4.574   3.915  10.475
  545   3HZ   LYS  66          3HZ       LYS  66   3.317   5.056  10.553
  546    H    GLU  67           H        GLU  67   8.509   7.740   4.997
  547    HA   GLU  67           HA       GLU  67  10.242   8.808   7.009
  548   1HB   GLU  67          2HB       GLU  67  10.367   8.021   4.137
  549   2HB   GLU  67          1HB       GLU  67  11.677   9.040   4.733
  550   1HG   GLU  67          2HG       GLU  67  12.265   7.457   6.425
  551   2HG   GLU  67          1HG       GLU  67  10.788   6.529   6.165
  552    H    LYS  68           H        LYS  68   8.949  10.282   3.998
  553    HA   LYS  68           HA       LYS  68  10.201  12.856   4.465
  554   1HB   LYS  68          2HB       LYS  68   9.222  11.693   2.317
  555   2HB   LYS  68          1HB       LYS  68   7.705  12.424   2.835
  556   1HG   LYS  68          2HG       LYS  68   8.605  14.089   1.460
  557   2HG   LYS  68          1HG       LYS  68   9.128  14.607   3.062
  558   1HD   LYS  68          2HD       LYS  68  11.327  13.763   2.735
  559   2HD   LYS  68          1HD       LYS  68  10.839  12.826   1.323
  560   1HE   LYS  68          2HE       LYS  68  10.213  15.114   0.265
  561   2HE   LYS  68          1HE       LYS  68  11.219  15.813   1.549
  562   1HZ   LYS  68          1HZ       LYS  68  12.056  13.670  -0.334
  563   2HZ   LYS  68          2HZ       LYS  68  13.010  14.315   0.915
  564   3HZ   LYS  68          3HZ       LYS  68  12.557  15.289  -0.401
  565    H    TYR  69           H        TYR  69   6.734  11.994   4.487
  566    HA   TYR  69           HA       TYR  69   5.461  14.127   5.564
  567   1HB   TYR  69          2HB       TYR  69   4.513  11.896   5.025
  568   2HB   TYR  69          1HB       TYR  69   5.170  11.269   6.535
  569    HD1  TYR  69           1HD      TYR  69   2.423  12.994   4.982
  570    HD2  TYR  69           2HD      TYR  69   4.427  12.383   8.732
  571    HE1  TYR  69           1HE      TYR  69   0.408  13.789   6.189
  572    HE2  TYR  69           2HE      TYR  69   2.413  13.179   9.939
  573    HH   TYR  69           HH       TYR  69  -0.381  13.214   9.025
  574    H    GLU  70           H        GLU  70   7.127  11.744   7.676
  575    HA   GLU  70           HA       GLU  70   6.583  13.134  10.136
  576   1HB   GLU  70          2HB       GLU  70   8.562  11.055   9.203
  577   2HB   GLU  70          1HB       GLU  70   8.577  11.643  10.866
  578   1HG   GLU  70          2HG       GLU  70   6.095  11.087  10.959
  579   2HG   GLU  70          1HG       GLU  70   6.312  10.249   9.421
  580    H    LYS  71           H        LYS  71   9.237  13.399   7.799
  581    HA   LYS  71           HA       LYS  71  10.734  15.234   9.592
  582   1HB   LYS  71          2HB       LYS  71  11.538  13.261   8.000
  583   2HB   LYS  71          1HB       LYS  71  11.546  14.549   6.795
  584   1HG   LYS  71          2HG       LYS  71  12.887  15.919   8.506
  585   2HG   LYS  71          1HG       LYS  71  13.116  14.398   9.372
  586   1HD   LYS  71          2HD       LYS  71  13.829  14.818   6.455
  587   2HD   LYS  71          1HD       LYS  71  14.985  14.920   7.784
  588   1HE   LYS  71          2HE       LYS  71  14.676  12.603   8.352
  589   2HE   LYS  71          1HE       LYS  71  13.276  12.465   7.268
  590   1HZ   LYS  71          1HZ       LYS  71  15.372  11.661   6.253
  591   2HZ   LYS  71          2HZ       LYS  71  16.009  13.231   6.386
  592   3HZ   LYS  71          3HZ       LYS  71  14.663  12.938   5.391
  593    H    ASP  72           H        ASP  72   8.678  15.374   6.752
  594    HA   ASP  72           HA       ASP  72   9.535  18.123   6.071
  595   1HB   ASP  72          2HB       ASP  72   8.995  16.225   4.450
  596   2HB   ASP  72          1HB       ASP  72   7.303  16.452   4.897
  597    H    ILE  73           H        ILE  73   6.907  16.515   7.773
  598    HA   ILE  73           HA       ILE  73   5.081  18.784   7.631
  599    HB   ILE  73           HB       ILE  73   4.575  16.282   7.903
  600   1HG1  ILE  73          2HG1      ILE  73   2.703  16.862   9.639
  601   2HG1  ILE  73          1HG1      ILE  73   3.347  18.500   9.514
  602   1HG2  ILE  73          1HG2      ILE  73   4.643  15.293  10.062
  603   2HG2  ILE  73          2HG2      ILE  73   4.974  16.837  10.847
  604   3HG2  ILE  73          3HG2      ILE  73   6.219  16.061   9.868
  605   1HD1  ILE  73          1HD1      ILE  73   2.521  16.824   7.126
  606   2HD1  ILE  73          2HD1      ILE  73   2.982  18.527   7.118
  607   3HD1  ILE  73          3HD1      ILE  73   1.480  18.023   7.893
  608    H    ALA  74           H        ALA  74   7.772  17.939   9.667
  609    HA   ALA  74           HA       ALA  74   7.040  19.360  12.059
  610   1HB   ALA  74          1HB       ALA  74   8.851  17.710  11.931
  611   2HB   ALA  74          2HB       ALA  74   9.511  19.262  12.449
  612   3HB   ALA  74          3HB       ALA  74   9.723  18.725  10.783
  613    H    ALA  75           H        ALA  75   8.553  20.346   9.018
  614    HA   ALA  75           HA       ALA  75   8.817  23.149  10.009
  615   1HB   ALA  75          1HB       ALA  75   9.871  21.644   7.596
  616   2HB   ALA  75          2HB       ALA  75  10.790  22.130   9.021
  617   3HB   ALA  75          3HB       ALA  75  10.185  23.352   7.902
  618    H    TYR  76           H        TYR  76   6.780  21.162   8.046
  619    HA   TYR  76           HA       TYR  76   5.911  23.042   6.067
  620   1HB   TYR  76          2HB       TYR  76   5.532  20.554   6.136
  621   2HB   TYR  76          1HB       TYR  76   4.351  20.816   7.420
  622    HD1  TYR  76           1HD      TYR  76   2.134  21.501   6.922
  623    HD2  TYR  76           2HD      TYR  76   5.169  21.692   3.888
  624    HE1  TYR  76           1HE      TYR  76   0.403  22.013   5.222
  625    HE2  TYR  76           2HE      TYR  76   3.439  22.203   2.188
  626    HH   TYR  76           HH       TYR  76   0.661  21.620   2.163
  627    H    ARG  77           H        ARG  77   4.890  22.455   9.417
  628    HA   ARG  77           HA       ARG  77   2.840  24.616   9.187
  629   1HB   ARG  77          2HB       ARG  77   3.423  22.423  11.196
  630   2HB   ARG  77          1HB       ARG  77   2.164  23.636  11.429
  631   1HG   ARG  77          2HG       ARG  77   1.047  22.930   9.377
  632   2HG   ARG  77          1HG       ARG  77   2.342  21.783   9.037
  633   1HD   ARG  77          2HD       ARG  77   1.698  20.338  10.771
  634   2HD   ARG  77          1HD       ARG  77   0.838  21.620  11.646
  635    HE   ARG  77           HE       ARG  77  -0.590  21.571   9.358
  636   1HH1  ARG  77          1HH1      ARG  77  -1.393  20.044  11.908
  637   2HH1  ARG  77          2HH1      ARG  77  -1.752  18.485  11.245
  638   1HH2  ARG  77          1HH2      ARG  77  -0.167  19.110   8.225
  639   2HH2  ARG  77          2HH2      ARG  77  -1.058  17.956   9.161
  640    H    ALA  78           H        ALA  78   5.976  24.796   9.601
  641    HA   ALA  78           HA       ALA  78   7.459  26.156  10.836
  642   1HB   ALA  78          1HB       ALA  78   6.575  28.325  11.236
  643   2HB   ALA  78          2HB       ALA  78   4.959  27.695  11.557
  644   3HB   ALA  78          3HB       ALA  78   5.597  27.691   9.913
  645    H    LYS  79           H        LYS  79   7.693  24.338  12.437
  646    HA   LYS  79           HA       LYS  79   6.199  24.677  14.986
  647   1HB   LYS  79          2HB       LYS  79   6.902  22.501  13.560
  648   2HB   LYS  79          1HB       LYS  79   8.323  22.626  14.596
  649   1HG   LYS  79          2HG       LYS  79   7.019  21.419  16.038
  650   2HG   LYS  79          1HG       LYS  79   6.383  23.012  16.442
  651   1HD   LYS  79          2HD       LYS  79   5.176  21.506  14.146
  652   2HD   LYS  79          1HD       LYS  79   4.731  21.059  15.794
  653   1HE   LYS  79          2HE       LYS  79   4.354  23.640  16.117
  654   2HE   LYS  79          1HE       LYS  79   4.237  23.651  14.346
  655   1HZ   LYS  79          1HZ       LYS  79   2.074  23.199  15.250
  656   2HZ   LYS  79          2HZ       LYS  79   2.685  21.942  16.218
  657   3HZ   LYS  79          3HZ       LYS  79   2.659  21.780  14.527
  Start of MODEL   11
    1   1H    MET   1          1HT       MET   1 -11.538  22.107   0.217
    2   2H    MET   1          2HT       MET   1 -12.210  23.347  -0.728
    3   3H    MET   1          3HT       MET   1 -10.526  23.139  -0.670
    4    HA   MET   1           HA       MET   1 -12.446  21.174  -1.817
    5   1HB   MET   1          2HB       MET   1 -11.973  23.556  -2.847
    6   2HB   MET   1          1HB       MET   1 -10.433  22.831  -3.314
    7   1HG   MET   1          2HG       MET   1 -11.634  21.002  -4.453
    8   2HG   MET   1          1HG       MET   1 -13.175  21.723  -3.988
    9   1HE   MET   1          1HE       MET   1 -12.802  24.959  -4.513
   10   2HE   MET   1          2HE       MET   1 -14.062  23.728  -4.554
   11   3HE   MET   1          3HE       MET   1 -13.745  24.703  -5.987
   12    H    LYS   2           H        LYS   2 -10.599  20.333   0.104
   13    HA   LYS   2           HA       LYS   2  -8.773  18.871   0.433
   14   1HB   LYS   2          2HB       LYS   2  -9.915  18.338  -2.276
   15   2HB   LYS   2          1HB       LYS   2  -8.396  17.541  -1.864
   16   1HG   LYS   2          2HG       LYS   2 -10.130  16.047  -1.169
   17   2HG   LYS   2          1HG       LYS   2  -9.522  16.805   0.303
   18   1HD   LYS   2          2HD       LYS   2 -11.399  18.208   0.506
   19   2HD   LYS   2          1HD       LYS   2 -11.850  18.004  -1.187
   20   1HE   LYS   2          2HE       LYS   2 -11.945  15.408  -0.243
   21   2HE   LYS   2          1HE       LYS   2 -12.533  16.351   1.141
   22   1HZ   LYS   2          1HZ       LYS   2 -14.318  15.838  -0.451
   23   2HZ   LYS   2          2HZ       LYS   2 -13.472  16.681  -1.659
   24   3HZ   LYS   2          3HZ       LYS   2 -14.060  17.507  -0.297
   25    H    LYS   3           H        LYS   3  -6.573  18.162  -0.822
   26    HA   LYS   3           HA       LYS   3  -4.432  18.918  -1.475
   27   1HB   LYS   3          2HB       LYS   3  -6.021  19.131  -3.535
   28   2HB   LYS   3          1HB       LYS   3  -5.912  20.867  -3.235
   29   1HG   LYS   3          2HG       LYS   3  -3.455  20.748  -3.380
   30   2HG   LYS   3          1HG       LYS   3  -3.553  19.010  -3.667
   31   1HD   LYS   3          2HD       LYS   3  -4.989  20.994  -5.434
   32   2HD   LYS   3          1HD       LYS   3  -3.320  20.513  -5.742
   33   1HE   LYS   3          2HE       LYS   3  -4.063  18.115  -5.777
   34   2HE   LYS   3          1HE       LYS   3  -5.740  18.679  -5.632
   35   1HZ   LYS   3          1HZ       LYS   3  -3.823  19.522  -7.742
   36   2HZ   LYS   3          2HZ       LYS   3  -5.437  20.032  -7.599
   37   3HZ   LYS   3          3HZ       LYS   3  -5.085  18.411  -7.962
   38    H    LYS   4           H        LYS   4  -4.351  19.947   0.769
   39    HA   LYS   4           HA       LYS   4  -4.941  22.691   1.247
   40   1HB   LYS   4          2HB       LYS   4  -3.020  20.671   2.410
   41   2HB   LYS   4          1HB       LYS   4  -3.124  22.310   3.055
   42   1HG   LYS   4          2HG       LYS   4  -5.353  22.030   3.752
   43   2HG   LYS   4          1HG       LYS   4  -5.612  20.654   2.680
   44   1HD   LYS   4          2HD       LYS   4  -5.376  19.642   4.790
   45   2HD   LYS   4          1HD       LYS   4  -3.762  19.493   4.095
   46   1HE   LYS   4          2HE       LYS   4  -4.263  22.013   5.583
   47   2HE   LYS   4          1HE       LYS   4  -4.204  20.536   6.566
   48   1HZ   LYS   4          1HZ       LYS   4  -2.181  21.404   4.568
   49   2HZ   LYS   4          2HZ       LYS   4  -2.153  19.918   5.391
   50   3HZ   LYS   4          3HZ       LYS   4  -1.977  21.372   6.251
   51    H    ASP   5           H        ASP   5  -1.579  21.509   1.150
   52    HA   ASP   5           HA       ASP   5  -0.808  24.036  -0.246
   53   1HB   ASP   5          2HB       ASP   5   0.279  22.281   1.844
   54   2HB   ASP   5          1HB       ASP   5   1.484  22.745   0.643
   55    HA   PRO   6           HA       PRO   6   0.360  21.792  -3.854
   56   1HB   PRO   6          2HB       PRO   6   2.452  23.274  -4.780
   57   2HB   PRO   6          1HB       PRO   6   0.767  23.824  -4.864
   58   1HG   PRO   6          2HG       PRO   6   2.931  24.612  -2.997
   59   2HG   PRO   6          1HG       PRO   6   1.604  25.575  -3.663
   60   1HD   PRO   6          2HD       PRO   6   1.668  24.522  -1.113
   61   2HD   PRO   6          1HD       PRO   6   0.195  25.010  -1.977
   62    H    ASN   7           H        ASN   7   2.687  22.196  -1.296
   63    HA   ASN   7           HA       ASN   7   4.235  19.873  -2.379
   64   1HB   ASN   7          2HB       ASN   7   6.295  21.051  -1.637
   65   2HB   ASN   7          1HB       ASN   7   5.416  21.973  -2.854
   66   1HD2  ASN   7          1HD2      ASN   7   4.742  24.077  -2.283
   67   2HD2  ASN   7          2HD2      ASN   7   4.872  24.725  -0.720
   68    H    ALA   8           H        ALA   8   2.179  20.494  -0.074
   69    HA   ALA   8           HA       ALA   8   3.829  19.536   2.226
   70   1HB   ALA   8          1HB       ALA   8   2.283  21.621   2.215
   71   2HB   ALA   8          2HB       ALA   8   2.156  20.514   3.582
   72   3HB   ALA   8          3HB       ALA   8   0.958  20.459   2.289
   73    HA   PRO   9           HA       PRO   9   1.872  15.574   1.387
   74   1HB   PRO   9          2HB       PRO   9   2.925  14.197   3.501
   75   2HB   PRO   9          1HB       PRO   9   3.851  14.553   2.031
   76   1HG   PRO   9          2HG       PRO   9   3.901  15.916   4.675
   77   2HG   PRO   9          1HG       PRO   9   5.236  15.536   3.576
   78   1HD   PRO   9          2HD       PRO   9   4.124  18.015   3.787
   79   2HD   PRO   9          1HD       PRO   9   4.890  17.409   2.302
   80    H    LYS  10           H        LYS  10  -0.286  15.415   1.908
   81    HA   LYS  10           HA       LYS  10  -1.062  15.628   4.765
   82   1HB   LYS  10          2HB       LYS  10  -3.095  16.802   3.967
   83   2HB   LYS  10          1HB       LYS  10  -1.625  17.654   3.502
   84   1HG   LYS  10          2HG       LYS  10  -2.185  15.782   1.426
   85   2HG   LYS  10          1HG       LYS  10  -3.700  16.600   1.804
   86   1HD   LYS  10          2HD       LYS  10  -2.828  18.724   1.293
   87   2HD   LYS  10          1HD       LYS  10  -1.157  18.179   1.451
   88   1HE   LYS  10          2HE       LYS  10  -1.606  16.656  -0.563
   89   2HE   LYS  10          1HE       LYS  10  -3.097  17.590  -0.801
   90   1HZ   LYS  10          1HZ       LYS  10  -0.351  18.713  -0.593
   91   2HZ   LYS  10          2HZ       LYS  10  -1.776  19.624  -0.758
   92   3HZ   LYS  10          3HZ       LYS  10  -1.269  18.599  -2.015
   93    H    ARG  11           H        ARG  11  -0.496  13.262   3.101
   94    HA   ARG  11           HA       ARG  11  -2.922  11.729   3.722
   95   1HB   ARG  11          2HB       ARG  11  -2.352  12.832   1.070
   96   2HB   ARG  11          1HB       ARG  11  -2.531  11.078   1.028
   97   1HG   ARG  11          2HG       ARG  11  -4.743  11.147   1.662
   98   2HG   ARG  11          1HG       ARG  11  -4.529  12.607   2.628
   99   1HD   ARG  11          2HD       ARG  11  -4.572  14.016   0.699
  100   2HD   ARG  11          1HD       ARG  11  -4.370  12.636  -0.399
  101    HE   ARG  11           HE       ARG  11  -6.675  12.157  -0.142
  102   1HH1  ARG  11          1HH2      ARG  11  -6.560  12.099   2.890
  103   2HH1  ARG  11          2HH2      ARG  11  -7.668  13.366   3.298
  104   1HH2  ARG  11          1HH1      ARG  11  -7.669  14.752   0.119
  105   2HH2  ARG  11          2HH1      ARG  11  -8.296  14.868   1.730
  106    HA   PRO  12           HA       PRO  12   0.978   9.313   3.781
  107   1HB   PRO  12          2HB       PRO  12   0.705   8.292   6.296
  108   2HB   PRO  12          1HB       PRO  12   1.434   9.875   5.970
  109   1HG   PRO  12          2HG       PRO  12  -1.217   9.215   7.069
  110   2HG   PRO  12          1HG       PRO  12  -0.216  10.652   7.300
  111   1HD   PRO  12          2HD       PRO  12  -2.454  10.421   5.613
  112   2HD   PRO  12          1HD       PRO  12  -1.289  11.761   5.659
  113    HA   PRO  13           HA       PRO  13  -1.742   5.819   2.874
  114   1HB   PRO  13          2HB       PRO  13  -0.013   4.476   1.241
  115   2HB   PRO  13          1HB       PRO  13  -0.975   5.862   0.694
  116   1HG   PRO  13          2HG       PRO  13   1.896   5.701   1.349
  117   2HG   PRO  13          1HG       PRO  13   1.051   6.763   0.217
  118   1HD   PRO  13          2HD       PRO  13   1.967   7.454   2.772
  119   2HD   PRO  13          1HD       PRO  13   0.840   8.393   1.774
  120    H    SER  14           H        SER  14  -1.356   3.326   3.051
  121    HA   SER  14           HA       SER  14   0.931   2.421   4.627
  122   1HB   SER  14          2HB       SER  14  -0.371   3.729   6.271
  123   2HB   SER  14          1HB       SER  14  -1.798   2.761   5.913
  124    HG   SER  14           HG       SER  14  -0.990   1.636   7.531
  125    H    ALA  15           H        ALA  15   0.261   1.224   2.339
  126    HA   ALA  15           HA       ALA  15  -0.245  -0.851   1.416
  127   1HB   ALA  15          1HB       ALA  15   0.216  -2.485   2.907
  128   2HB   ALA  15          2HB       ALA  15  -1.325  -2.219   3.719
  129   3HB   ALA  15          3HB       ALA  15   0.101  -1.302   4.207
  130    H    PHE  16           H        PHE  16  -2.731  -0.852   3.998
  131    HA   PHE  16           HA       PHE  16  -4.918  -1.590   2.418
  132   1HB   PHE  16          2HB       PHE  16  -4.608  -1.228   4.959
  133   2HB   PHE  16          1HB       PHE  16  -5.068   0.444   4.641
  134    HD1  PHE  16           1HD      PHE  16  -7.233   0.735   3.125
  135    HD2  PHE  16           2HD      PHE  16  -6.299  -2.772   5.424
  136    HE1  PHE  16           1HE      PHE  16  -9.623   0.078   3.093
  137    HE2  PHE  16           2HE      PHE  16  -8.691  -3.429   5.390
  138    HZ   PHE  16           HZ       PHE  16 -10.352  -2.004   4.226
  139    H    PHE  17           H        PHE  17  -3.796   1.727   3.131
  140    HA   PHE  17           HA       PHE  17  -5.829   3.140   1.710
  141   1HB   PHE  17          2HB       PHE  17  -3.861   3.846   3.335
  142   2HB   PHE  17          1HB       PHE  17  -2.976   4.077   1.826
  143    HD1  PHE  17           1HD      PHE  17  -3.347   5.985   0.475
  144    HD2  PHE  17           2HD      PHE  17  -6.108   5.023   3.621
  145    HE1  PHE  17           1HE      PHE  17  -4.490   8.159   0.136
  146    HE2  PHE  17           2HE      PHE  17  -7.252   7.198   3.283
  147    HZ   PHE  17           HZ       PHE  17  -6.442   8.766   1.540
  148    H    LEU  18           H        LEU  18  -2.880   1.525   0.614
  149    HA   LEU  18           HA       LEU  18  -2.934   2.701  -2.062
  150   1HB   LEU  18          2HB       LEU  18  -1.492   0.227  -1.052
  151   2HB   LEU  18          1HB       LEU  18  -1.042   1.229  -2.426
  152    HG   LEU  18           HG       LEU  18  -0.993   2.062   0.497
  153   1HD1  LEU  18          1HD1      LEU  18   1.503   2.375  -0.219
  154   2HD1  LEU  18          2HD1      LEU  18   1.087   1.266  -1.527
  155   3HD1  LEU  18          3HD1      LEU  18   0.917   0.753   0.153
  156   1HD2  LEU  18          1HD2      LEU  18  -1.469   4.078  -0.585
  157   2HD2  LEU  18          2HD2      LEU  18  -0.682   3.578  -2.082
  158   3HD2  LEU  18          3HD2      LEU  18   0.291   4.056  -0.690
  159    H    PHE  19           H        PHE  19  -3.972  -0.343  -0.545
  160    HA   PHE  19           HA       PHE  19  -4.632  -1.724  -2.993
  161   1HB   PHE  19          2HB       PHE  19  -4.213  -2.649  -0.651
  162   2HB   PHE  19          1HB       PHE  19  -5.837  -2.100  -0.239
  163    HD1  PHE  19           1HD      PHE  19  -3.892  -4.716  -1.737
  164    HD2  PHE  19           2HD      PHE  19  -7.787  -2.904  -1.726
  165    HE1  PHE  19           1HE      PHE  19  -4.848  -6.763  -2.761
  166    HE2  PHE  19           2HE      PHE  19  -8.742  -4.952  -2.750
  167    HZ   PHE  19           HZ       PHE  19  -7.273  -6.881  -3.267
  168    H    CYS  20           H        CYS  20  -6.697  -0.065  -0.573
  169    HA   CYS  20           HA       CYS  20  -9.148  -0.333  -2.057
  170   1HB   CYS  20          2HB       CYS  20  -8.595   0.318   0.429
  171   2HB   CYS  20          1HB       CYS  20  -8.527   1.961  -0.208
  172    HG   CYS  20           HG       CYS  20 -11.006   1.895  -0.723
  173    H    SER  21           H        SER  21  -6.525   1.997  -2.149
  174    HA   SER  21           HA       SER  21  -7.880   4.062  -3.640
  175   1HB   SER  21          2HB       SER  21  -5.066   3.293  -2.963
  176   2HB   SER  21          1HB       SER  21  -5.328   4.537  -4.180
  177    HG   SER  21           HG       SER  21  -5.215   5.474  -2.132
  178    H    GLU  22           H        GLU  22  -6.628   0.966  -4.636
  179    HA   GLU  22           HA       GLU  22  -6.843   1.867  -7.491
  180   1HB   GLU  22          2HB       GLU  22  -4.966   0.344  -7.963
  181   2HB   GLU  22          1HB       GLU  22  -4.521   1.537  -6.747
  182   1HG   GLU  22          2HG       GLU  22  -3.907  -0.168  -5.406
  183   2HG   GLU  22          1HG       GLU  22  -5.608  -0.609  -5.286
  184    H    TYR  23           H        TYR  23  -7.807  -0.538  -5.136
  185    HA   TYR  23           HA       TYR  23  -8.623  -2.474  -7.220
  186   1HB   TYR  23          2HB       TYR  23  -8.421  -2.363  -4.243
  187   2HB   TYR  23          1HB       TYR  23  -9.540  -3.527  -4.947
  188    HD1  TYR  23           1HD      TYR  23  -8.643  -5.044  -6.842
  189    HD2  TYR  23           2HD      TYR  23  -6.116  -2.855  -4.148
  190    HE1  TYR  23           1HE      TYR  23  -6.752  -6.551  -7.393
  191    HE2  TYR  23           2HE      TYR  23  -4.224  -4.361  -4.697
  192    HH   TYR  23           HH       TYR  23  -4.051  -6.221  -7.293
  193    H    ARG  24           H        ARG  24  -9.972   0.348  -6.552
  194    HA   ARG  24           HA       ARG  24 -12.719  -0.556  -5.990
  195   1HB   ARG  24          2HB       ARG  24 -11.308   2.087  -6.260
  196   2HB   ARG  24          1HB       ARG  24 -13.068   1.982  -6.202
  197   1HG   ARG  24          2HG       ARG  24 -12.952   0.785  -4.062
  198   2HG   ARG  24          1HG       ARG  24 -11.190   0.853  -4.111
  199   1HD   ARG  24          2HD       ARG  24 -11.128   3.097  -3.563
  200   2HD   ARG  24          1HD       ARG  24 -12.658   3.444  -4.392
  201    HE   ARG  24           HE       ARG  24 -12.770   1.738  -1.964
  202   1HH1  ARG  24          1HH1      ARG  24 -12.301   4.956  -2.228
  203   2HH1  ARG  24          2HH1      ARG  24 -13.846   5.457  -1.630
  204   1HH2  ARG  24          1HH2      ARG  24 -15.224   2.277  -1.763
  205   2HH2  ARG  24          2HH2      ARG  24 -15.502   3.941  -1.366
  206    HA   PRO  25           HA       PRO  25 -13.283   1.327 -10.390
  207   1HB   PRO  25          2HB       PRO  25 -11.124   1.280 -12.072
  208   2HB   PRO  25          1HB       PRO  25 -11.570   2.687 -11.085
  209   1HG   PRO  25          2HG       PRO  25  -9.469   0.641 -10.626
  210   2HG   PRO  25          1HG       PRO  25  -9.443   2.381 -10.306
  211   1HD   PRO  25          2HD       PRO  25  -9.813   0.500  -8.396
  212   2HD   PRO  25          1HD       PRO  25 -10.454   2.150  -8.263
  213    H    LYS  26           H        LYS  26 -11.353  -1.416  -9.544
  214    HA   LYS  26           HA       LYS  26 -11.826  -3.012 -11.935
  215   1HB   LYS  26          2HB       LYS  26 -10.020  -3.290 -10.149
  216   2HB   LYS  26          1HB       LYS  26 -11.294  -3.880  -9.078
  217   1HG   LYS  26          2HG       LYS  26 -10.957  -5.104 -11.803
  218   2HG   LYS  26          1HG       LYS  26  -9.897  -5.604 -10.485
  219   1HD   LYS  26          2HD       LYS  26 -12.108  -5.877  -9.128
  220   2HD   LYS  26          1HD       LYS  26 -12.885  -5.892 -10.712
  221   1HE   LYS  26          2HE       LYS  26 -11.855  -7.894 -11.348
  222   2HE   LYS  26          1HE       LYS  26 -10.506  -7.673 -10.216
  223   1HZ   LYS  26          1HZ       LYS  26 -12.029  -7.946  -8.374
  224   2HZ   LYS  26          2HZ       LYS  26 -12.117  -9.305  -9.390
  225   3HZ   LYS  26          3HZ       LYS  26 -13.339  -8.126  -9.436
  226    H    ILE  27           H        ILE  27 -13.176  -2.952  -8.636
  227    HA   ILE  27           HA       ILE  27 -15.245  -4.836  -8.842
  228    HB   ILE  27           HB       ILE  27 -15.299  -2.128  -7.453
  229   1HG1  ILE  27          2HG1      ILE  27 -13.259  -3.271  -6.780
  230   2HG1  ILE  27          1HG1      ILE  27 -14.417  -3.379  -5.468
  231   1HG2  ILE  27          1HG2      ILE  27 -16.716  -3.397  -5.792
  232   2HG2  ILE  27          2HG2      ILE  27 -16.777  -4.718  -6.958
  233   3HG2  ILE  27          3HG2      ILE  27 -17.463  -3.147  -7.370
  234   1HD1  ILE  27          1HD1      ILE  27 -13.662  -5.531  -7.442
  235   2HD1  ILE  27          2HD1      ILE  27 -15.085  -5.643  -6.404
  236   3HD1  ILE  27          3HD1      ILE  27 -13.476  -5.551  -5.688
  237    H    LYS  28           H        LYS  28 -15.086  -1.552 -10.073
  238    HA   LYS  28           HA       LYS  28 -17.934  -1.274 -10.567
  239   1HB   LYS  28          2HB       LYS  28 -15.864   0.311 -12.070
  240   2HB   LYS  28          1HB       LYS  28 -17.393   0.843 -11.387
  241   1HG   LYS  28          2HG       LYS  28 -14.780   0.358  -9.990
  242   2HG   LYS  28          1HG       LYS  28 -15.692   1.847 -10.062
  243   1HD   LYS  28          2HD       LYS  28 -16.432  -0.658  -8.511
  244   2HD   LYS  28          1HD       LYS  28 -15.916   0.886  -7.845
  245   1HE   LYS  28          2HE       LYS  28 -18.385   0.636  -9.593
  246   2HE   LYS  28          1HE       LYS  28 -18.443   0.498  -7.824
  247   1HZ   LYS  28          1HZ       LYS  28 -17.397   2.783  -9.407
  248   2HZ   LYS  28          2HZ       LYS  28 -17.192   2.624  -7.728
  249   3HZ   LYS  28          3HZ       LYS  28 -18.751   2.786  -8.385
  250    H    SER  29           H        SER  29 -15.182  -2.397 -12.471
  251    HA   SER  29           HA       SER  29 -16.401  -2.377 -15.059
  252   1HB   SER  29          2HB       SER  29 -13.967  -2.736 -14.382
  253   2HB   SER  29          1HB       SER  29 -14.413  -4.391 -13.975
  254    HG   SER  29           HG       SER  29 -14.070  -3.187 -16.421
  255    H    GLU  30           H        GLU  30 -16.759  -4.556 -12.328
  256    HA   GLU  30           HA       GLU  30 -18.482  -6.350 -14.009
  257   1HB   GLU  30          2HB       GLU  30 -16.390  -6.748 -11.962
  258   2HB   GLU  30          1HB       GLU  30 -17.815  -7.764 -11.750
  259   1HG   GLU  30          2HG       GLU  30 -16.445  -7.493 -14.427
  260   2HG   GLU  30          1HG       GLU  30 -15.940  -8.700 -13.243
  261    H    HIS  31           H        HIS  31 -18.376  -4.266 -11.216
  262    HA   HIS  31           HA       HIS  31 -21.166  -5.128 -10.513
  263   1HB   HIS  31          2HB       HIS  31 -19.105  -3.955  -8.618
  264   2HB   HIS  31          1HB       HIS  31 -20.640  -4.699  -8.197
  265    HD1  HIS  31           1HD      HIS  31 -17.113  -5.488  -9.026
  266    HD2  HIS  31           2HD      HIS  31 -20.669  -7.590  -8.480
  267    HE1  HIS  31           1HE      HIS  31 -16.472  -7.923  -8.793
  268    HA   PRO  32           HA       PRO  32 -21.379  -0.729 -11.718
  269   1HB   PRO  32          2HB       PRO  32 -23.942  -0.825 -12.664
  270   2HB   PRO  32          1HB       PRO  32 -22.535  -1.281 -13.638
  271   1HG   PRO  32          2HG       PRO  32 -24.521  -3.002 -12.271
  272   2HG   PRO  32          1HG       PRO  32 -23.658  -3.258 -13.794
  273   1HD   PRO  32          2HD       PRO  32 -23.013  -4.457 -11.395
  274   2HD   PRO  32          1HD       PRO  32 -21.901  -4.262 -12.766
  275    H    GLY  33           H        GLY  33 -23.735  -2.708  -9.980
  276   1HA   GLY  33          2HA       GLY  33 -25.038  -0.445  -8.693
  277   2HA   GLY  33          1HA       GLY  33 -25.272  -2.143  -8.293
  278    H    LEU  34           H        LEU  34 -22.167  -2.281  -8.083
  279    HA   LEU  34           HA       LEU  34 -21.919  -2.193  -5.266
  280   1HB   LEU  34          2HB       LEU  34 -20.303  -2.651  -7.611
  281   2HB   LEU  34          1HB       LEU  34 -19.382  -1.681  -6.471
  282    HG   LEU  34           HG       LEU  34 -19.072  -4.132  -6.126
  283   1HD1  LEU  34          1HD1      LEU  34 -18.575  -3.139  -4.140
  284   2HD1  LEU  34          2HD1      LEU  34 -20.052  -3.939  -3.607
  285   3HD1  LEU  34          3HD1      LEU  34 -20.092  -2.242  -4.085
  286   1HD2  LEU  34          1HD2      LEU  34 -21.775  -4.313  -6.601
  287   2HD2  LEU  34          2HD2      LEU  34 -21.715  -4.454  -4.845
  288   3HD2  LEU  34          3HD2      LEU  34 -20.807  -5.583  -5.850
  289    H    SER  35           H        SER  35 -22.894  -0.086  -4.680
  290    HA   SER  35           HA       SER  35 -21.635   2.428  -5.445
  291   1HB   SER  35          2HB       SER  35 -23.520   1.657  -3.193
  292   2HB   SER  35          1HB       SER  35 -23.162   3.310  -3.684
  293    HG   SER  35           HG       SER  35 -24.260   3.018  -5.511
  294    H    ILE  36           H        ILE  36 -20.752   3.909  -3.620
  295    HA   ILE  36           HA       ILE  36 -18.366   2.895  -2.513
  296    HB   ILE  36           HB       ILE  36 -20.160   5.169  -1.602
  297   1HG1  ILE  36          2HG1      ILE  36 -19.435   5.334  -3.958
  298   2HG1  ILE  36          1HG1      ILE  36 -18.636   6.557  -2.975
  299   1HG2  ILE  36          1HG2      ILE  36 -17.391   4.320  -0.807
  300   2HG2  ILE  36          2HG2      ILE  36 -18.693   4.959   0.197
  301   3HG2  ILE  36          3HG2      ILE  36 -17.780   6.040  -0.858
  302   1HD1  ILE  36          1HD1      ILE  36 -16.676   4.958  -2.762
  303   2HD1  ILE  36          2HD1      ILE  36 -16.947   5.586  -4.387
  304   3HD1  ILE  36          3HD1      ILE  36 -17.462   3.950  -3.977
  305    H    GLY  37           H        GLY  37 -21.640   2.753  -1.244
  306   1HA   GLY  37          2HA       GLY  37 -21.051   2.188   1.488
  307   2HA   GLY  37          1HA       GLY  37 -22.518   1.681   0.649
  308    H    ASP  38           H        ASP  38 -22.086  -0.203  -0.970
  309    HA   ASP  38           HA       ASP  38 -21.030  -2.445   0.535
  310   1HB   ASP  38          2HB       ASP  38 -22.942  -2.280  -1.216
  311   2HB   ASP  38          1HB       ASP  38 -21.655  -2.400  -2.416
  312    H    THR  39           H        THR  39 -19.742  -0.355  -1.988
  313    HA   THR  39           HA       THR  39 -17.562  -2.034  -2.843
  314    HB   THR  39           HB       THR  39 -17.926   0.979  -2.806
  315    HG1  THR  39           1HG      THR  39 -19.474  -0.316  -3.968
  316   1HG2  THR  39          1HG2      THR  39 -16.315   0.740  -4.830
  317   2HG2  THR  39          2HG2      THR  39 -15.889  -0.815  -4.115
  318   3HG2  THR  39          3HG2      THR  39 -15.624   0.675  -3.209
  319    H    ALA  40           H        ALA  40 -17.940   0.269  -0.187
  320    HA   ALA  40           HA       ALA  40 -15.136   0.331   0.561
  321   1HB   ALA  40          1HB       ALA  40 -16.108   1.376   2.630
  322   2HB   ALA  40          2HB       ALA  40 -17.715   0.969   2.031
  323   3HB   ALA  40          3HB       ALA  40 -16.706   2.109   1.142
  324    H    LYS  41           H        LYS  41 -17.957  -1.557   1.637
  325    HA   LYS  41           HA       LYS  41 -16.301  -3.032   3.587
  326   1HB   LYS  41          2HB       LYS  41 -18.440  -3.971   4.290
  327   2HB   LYS  41          1HB       LYS  41 -18.594  -2.228   4.111
  328   1HG   LYS  41          2HG       LYS  41 -19.437  -2.739   1.722
  329   2HG   LYS  41          1HG       LYS  41 -19.615  -4.398   2.278
  330   1HD   LYS  41          2HD       LYS  41 -21.732  -3.232   2.576
  331   2HD   LYS  41          1HD       LYS  41 -21.035  -3.581   4.157
  332   1HE   LYS  41          2HE       LYS  41 -19.992  -1.048   3.388
  333   2HE   LYS  41          1HE       LYS  41 -21.731  -1.011   3.039
  334   1HZ   LYS  41          1HZ       LYS  41 -20.495  -1.925   5.583
  335   2HZ   LYS  41          2HZ       LYS  41 -22.159  -1.920   5.240
  336   3HZ   LYS  41          3HZ       LYS  41 -21.308  -0.453   5.356
  337    H    LYS  42           H        LYS  42 -17.194  -3.414   0.279
  338    HA   LYS  42           HA       LYS  42 -17.261  -6.336   0.258
  339   1HB   LYS  42          2HB       LYS  42 -18.446  -4.970  -1.402
  340   2HB   LYS  42          1HB       LYS  42 -16.929  -4.232  -1.910
  341   1HG   LYS  42          2HG       LYS  42 -17.600  -6.006  -3.476
  342   2HG   LYS  42          1HG       LYS  42 -16.109  -6.453  -2.643
  343   1HD   LYS  42          2HD       LYS  42 -17.107  -8.156  -1.481
  344   2HD   LYS  42          1HD       LYS  42 -18.636  -7.289  -1.323
  345   1HE   LYS  42          2HE       LYS  42 -19.455  -8.096  -3.319
  346   2HE   LYS  42          1HE       LYS  42 -17.850  -8.154  -4.074
  347   1HZ   LYS  42          1HZ       LYS  42 -18.822  -9.954  -1.917
  348   2HZ   LYS  42          2HZ       LYS  42 -17.267  -9.987  -2.601
  349   3HZ   LYS  42          3HZ       LYS  42 -18.622 -10.384  -3.545
  350    H    LEU  43           H        LEU  43 -14.932  -3.967  -1.115
  351    HA   LEU  43           HA       LEU  43 -12.840  -5.649  -1.837
  352   1HB   LEU  43          2HB       LEU  43 -12.857  -2.906  -0.555
  353   2HB   LEU  43          1HB       LEU  43 -11.408  -3.621  -1.262
  354    HG   LEU  43           HG       LEU  43 -13.966  -3.466  -2.844
  355   1HD1  LEU  43          1HD1      LEU  43 -13.527  -1.180  -2.085
  356   2HD1  LEU  43          2HD1      LEU  43 -13.114  -1.326  -3.794
  357   3HD1  LEU  43          3HD1      LEU  43 -11.838  -1.319  -2.576
  358   1HD2  LEU  43          1HD2      LEU  43 -12.417  -3.558  -4.728
  359   2HD2  LEU  43          2HD2      LEU  43 -12.042  -4.870  -3.612
  360   3HD2  LEU  43          3HD2      LEU  43 -11.038  -3.420  -3.638
  361    H    GLY  44           H        GLY  44 -13.764  -4.725   1.434
  362   1HA   GLY  44          2HA       GLY  44 -11.352  -5.498   2.775
  363   2HA   GLY  44          1HA       GLY  44 -12.947  -5.408   3.527
  364    H    GLU  45           H        GLU  45 -14.207  -7.293   1.720
  365    HA   GLU  45           HA       GLU  45 -13.941  -9.735   3.065
  366   1HB   GLU  45          2HB       GLU  45 -15.595  -8.817   1.241
  367   2HB   GLU  45          1HB       GLU  45 -14.502  -9.617   0.111
  368   1HG   GLU  45          2HG       GLU  45 -16.159 -11.246   0.631
  369   2HG   GLU  45          1HG       GLU  45 -14.746 -11.701   1.583
  370    H    MET  46           H        MET  46 -12.075  -8.576   0.269
  371    HA   MET  46           HA       MET  46 -10.612 -11.124   0.004
  372   1HB   MET  46          2HB       MET  46 -10.496  -8.401  -1.323
  373   2HB   MET  46          1HB       MET  46  -9.432  -9.732  -1.775
  374   1HG   MET  46          2HG       MET  46 -11.343 -11.122  -2.363
  375   2HG   MET  46          1HG       MET  46 -12.460  -9.882  -1.792
  376   1HE   MET  46          1HE       MET  46 -13.313 -10.313  -4.955
  377   2HE   MET  46          2HE       MET  46 -12.228 -11.502  -4.238
  378   3HE   MET  46          3HE       MET  46 -11.786 -10.717  -5.751
  379    H    TRP  47           H        TRP  47  -9.963  -7.790   1.083
  380    HA   TRP  47           HA       TRP  47  -7.182  -7.948   1.548
  381   1HB   TRP  47          2HB       TRP  47  -8.616  -5.921   1.663
  382   2HB   TRP  47          1HB       TRP  47  -9.314  -6.517   3.169
  383    HD1  TRP  47           HD       TRP  47  -8.173  -5.700   5.279
  384    HE1  TRP  47           1HE      TRP  47  -5.855  -4.748   5.880
  385    HE3  TRP  47           3HE      TRP  47  -5.847  -6.106   0.749
  386    HZ2  TRP  47           2HZ      TRP  47  -3.345  -4.226   4.610
  387    HZ3  TRP  47           3HZ      TRP  47  -3.495  -5.376   0.474
  388    HH2  TRP  47           HH       TRP  47  -2.242  -4.438   2.397
  389    H    SER  48           H        SER  48  -9.797  -9.448   3.349
  390    HA   SER  48           HA       SER  48  -8.060  -9.988   5.690
  391   1HB   SER  48          2HB       SER  48 -10.195 -10.973   6.548
  392   2HB   SER  48          1HB       SER  48 -10.387  -9.306   6.011
  393    HG   SER  48           HG       SER  48 -12.027 -10.720   5.210
  394    H    GLU  49           H        GLU  49  -9.534 -11.650   2.933
  395    HA   GLU  49           HA       GLU  49  -9.018 -14.354   3.736
  396   1HB   GLU  49          2HB       GLU  49  -9.408 -12.885   1.129
  397   2HB   GLU  49          1HB       GLU  49  -9.063 -14.615   1.136
  398   1HG   GLU  49          2HG       GLU  49 -11.258 -13.461   2.852
  399   2HG   GLU  49          1HG       GLU  49 -11.550 -13.888   1.166
  400    H    GLN  50           H        GLN  50  -7.041 -11.944   2.045
  401    HA   GLN  50           HA       GLN  50  -4.872 -13.650   1.273
  402   1HB   GLN  50          2HB       GLN  50  -3.651 -11.486   1.116
  403   2HB   GLN  50          1HB       GLN  50  -5.258 -11.384   0.400
  404   1HG   GLN  50          2HG       GLN  50  -6.132 -10.189   2.257
  405   2HG   GLN  50          1HG       GLN  50  -4.753 -10.604   3.275
  406   1HE2  GLN  50          1HE2      GLN  50  -5.428  -8.886   0.168
  407   2HE2  GLN  50          2HE2      GLN  50  -4.251  -7.686   0.410
  408    H    SER  51           H        SER  51  -2.832 -13.981   2.313
  409    HA   SER  51           HA       SER  51  -2.956 -13.861   5.294
  410   1HB   SER  51          2HB       SER  51  -2.577 -15.998   3.946
  411   2HB   SER  51          1HB       SER  51  -1.018 -15.325   3.476
  412    HG   SER  51           HG       SER  51  -1.941 -15.768   6.130
  413    H    ALA  52           H        ALA  52  -0.032 -14.106   5.514
  414    HA   ALA  52           HA       ALA  52   0.661 -11.252   5.340
  415   1HB   ALA  52          1HB       ALA  52   2.099 -13.746   6.304
  416   2HB   ALA  52          2HB       ALA  52   1.239 -12.575   7.303
  417   3HB   ALA  52          3HB       ALA  52   2.731 -12.110   6.487
  418    H    LYS  53           H        LYS  53   0.306 -11.974   2.751
  419    HA   LYS  53           HA       LYS  53   3.099 -12.252   1.692
  420   1HB   LYS  53          2HB       LYS  53   0.585 -13.758   1.148
  421   2HB   LYS  53          1HB       LYS  53   1.610 -13.403  -0.243
  422   1HG   LYS  53          2HG       LYS  53   3.532 -14.435   0.878
  423   2HG   LYS  53          1HG       LYS  53   2.550 -14.744   2.310
  424   1HD   LYS  53          2HD       LYS  53   1.277 -16.392   1.246
  425   2HD   LYS  53          1HD       LYS  53   1.650 -15.779  -0.366
  426   1HE   LYS  53          2HE       LYS  53   3.831 -16.709  -0.345
  427   2HE   LYS  53          1HE       LYS  53   3.812 -16.925   1.417
  428   1HZ   LYS  53          1HZ       LYS  53   3.324 -19.020   0.356
  429   2HZ   LYS  53          2HZ       LYS  53   2.071 -18.317  -0.549
  430   3HZ   LYS  53          3HZ       LYS  53   1.928 -18.456   1.138
  431    H    ASP  54           H        ASP  54  -0.252 -11.304   0.843
  432    HA   ASP  54           HA       ASP  54   0.479  -9.678  -1.421
  433   1HB   ASP  54          2HB       ASP  54  -1.775 -10.734  -0.682
  434   2HB   ASP  54          1HB       ASP  54  -1.956  -9.295   0.321
  435    H    LYS  55           H        LYS  55   0.287  -9.020   2.040
  436    HA   LYS  55           HA       LYS  55   0.350  -6.110   1.743
  437   1HB   LYS  55          2HB       LYS  55   0.546  -8.133   3.962
  438   2HB   LYS  55          1HB       LYS  55   0.915  -6.440   4.286
  439   1HG   LYS  55          2HG       LYS  55  -1.268  -5.733   3.656
  440   2HG   LYS  55          1HG       LYS  55  -1.636  -7.286   2.906
  441   1HD   LYS  55          2HD       LYS  55  -0.997  -7.065   5.849
  442   2HD   LYS  55          1HD       LYS  55  -2.639  -6.849   5.240
  443   1HE   LYS  55          2HE       LYS  55  -2.861  -9.077   4.653
  444   2HE   LYS  55          1HE       LYS  55  -1.127  -9.266   4.317
  445   1HZ   LYS  55          1HZ       LYS  55  -2.288  -8.821   7.017
  446   2HZ   LYS  55          2HZ       LYS  55  -0.652  -9.104   6.654
  447   3HZ   LYS  55          3HZ       LYS  55  -1.803 -10.333   6.421
  448    H    GLN  56           H        GLN  56   2.723  -8.672   2.407
  449    HA   GLN  56           HA       GLN  56   4.980  -7.337   3.257
  450   1HB   GLN  56          2HB       GLN  56   4.367  -9.669   1.551
  451   2HB   GLN  56          1HB       GLN  56   6.013  -9.056   1.392
  452   1HG   GLN  56          2HG       GLN  56   4.757  -9.550   4.095
  453   2HG   GLN  56          1HG       GLN  56   5.605 -10.824   3.218
  454   1HE2  GLN  56          1HE2      GLN  56   7.752 -10.978   3.856
  455   2HE2  GLN  56          2HE2      GLN  56   8.726  -9.676   4.340
  456    HA   PRO  57           HA       PRO  57   6.271  -5.919  -1.100
  457   1HB   PRO  57          2HB       PRO  57   4.570  -6.234  -3.203
  458   2HB   PRO  57          1HB       PRO  57   5.724  -7.486  -2.704
  459   1HG   PRO  57          2HG       PRO  57   2.811  -7.296  -2.214
  460   2HG   PRO  57          1HG       PRO  57   3.810  -8.721  -2.522
  461   1HD   PRO  57          2HD       PRO  57   2.893  -7.947  -0.041
  462   2HD   PRO  57          1HD       PRO  57   4.309  -8.985  -0.319
  463    H    TYR  58           H        TYR  58   2.755  -5.622  -0.628
  464    HA   TYR  58           HA       TYR  58   2.647  -2.913  -1.736
  465   1HB   TYR  58          2HB       TYR  58   0.907  -5.045  -1.243
  466   2HB   TYR  58          1HB       TYR  58   0.383  -3.803  -0.110
  467    HD1  TYR  58           1HD      TYR  58   1.716  -3.817  -3.625
  468    HD2  TYR  58           2HD      TYR  58  -1.367  -2.511  -0.934
  469    HE1  TYR  58           1HE      TYR  58   0.611  -2.599  -5.481
  470    HE2  TYR  58           2HE      TYR  58  -2.470  -1.293  -2.791
  471    HH   TYR  58           HH       TYR  58  -0.985  -0.555  -5.642
  472    H    GLU  59           H        GLU  59   3.653  -4.079   1.297
  473    HA   GLU  59           HA       GLU  59   2.541  -1.828   2.854
  474   1HB   GLU  59          2HB       GLU  59   3.598  -3.005   4.731
  475   2HB   GLU  59          1HB       GLU  59   2.695  -4.143   3.739
  476   1HG   GLU  59          2HG       GLU  59   4.561  -5.370   3.464
  477   2HG   GLU  59          1HG       GLU  59   5.326  -4.007   2.653
  478    H    GLN  60           H        GLN  60   5.525  -2.660   1.223
  479    HA   GLN  60           HA       GLN  60   7.182  -0.728   2.658
  480   1HB   GLN  60          2HB       GLN  60   8.825  -1.345   0.893
  481   2HB   GLN  60          1HB       GLN  60   8.099  -2.764   1.644
  482   1HG   GLN  60          2HG       GLN  60   6.765  -3.229  -0.221
  483   2HG   GLN  60          1HG       GLN  60   6.889  -1.585  -0.847
  484   1HE2  GLN  60          1HE2      GLN  60   8.221  -1.496  -2.654
  485   2HE2  GLN  60          2HE2      GLN  60   9.595  -2.459  -2.906
  486    H    LYS  61           H        LYS  61   5.030  -0.616  -0.082
  487    HA   LYS  61           HA       LYS  61   6.117   1.663  -1.458
  488   1HB   LYS  61          2HB       LYS  61   4.454   0.108  -2.400
  489   2HB   LYS  61          1HB       LYS  61   3.284   0.590  -1.172
  490   1HG   LYS  61          2HG       LYS  61   3.057   2.768  -2.086
  491   2HG   LYS  61          1HG       LYS  61   4.514   2.597  -3.068
  492   1HD   LYS  61          2HD       LYS  61   3.308   0.671  -4.253
  493   2HD   LYS  61          1HD       LYS  61   1.840   1.242  -3.457
  494   1HE   LYS  61          2HE       LYS  61   2.145   3.476  -4.483
  495   2HE   LYS  61          1HE       LYS  61   3.609   2.891  -5.301
  496   1HZ   LYS  61          1HZ       LYS  61   0.917   1.652  -5.541
  497   2HZ   LYS  61          2HZ       LYS  61   2.324   1.168  -6.361
  498   3HZ   LYS  61          3HZ       LYS  61   1.613   2.674  -6.701
  499    H    ALA  62           H        ALA  62   3.715   1.374   1.170
  500    HA   ALA  62           HA       ALA  62   3.347   4.277   1.353
  501   1HB   ALA  62          1HB       ALA  62   1.503   2.833   1.876
  502   2HB   ALA  62          2HB       ALA  62   2.044   3.512   3.411
  503   3HB   ALA  62          3HB       ALA  62   2.491   1.864   2.969
  504    H    ALA  63           H        ALA  63   5.620   1.972   2.576
  505    HA   ALA  63           HA       ALA  63   6.295   3.080   5.110
  506   1HB   ALA  63          1HB       ALA  63   8.381   1.846   4.772
  507   2HB   ALA  63          2HB       ALA  63   8.097   1.791   3.032
  508   3HB   ALA  63          3HB       ALA  63   7.042   0.896   4.126
  509    H    LYS  64           H        LYS  64   7.277   3.990   1.804
  510    HA   LYS  64           HA       LYS  64   9.304   5.898   2.640
  511   1HB   LYS  64          2HB       LYS  64   7.696   5.499   0.095
  512   2HB   LYS  64          1HB       LYS  64   9.072   6.595   0.229
  513   1HG   LYS  64          2HG       LYS  64   9.278   3.669   0.956
  514   2HG   LYS  64          1HG       LYS  64   9.572   4.251  -0.683
  515   1HD   LYS  64          2HD       LYS  64  11.284   5.825   0.224
  516   2HD   LYS  64          1HD       LYS  64  11.043   5.118   1.822
  517   1HE   LYS  64          2HE       LYS  64  11.861   2.976   1.101
  518   2HE   LYS  64          1HE       LYS  64  11.829   3.471  -0.603
  519   1HZ   LYS  64          1HZ       LYS  64  13.423   5.215  -0.091
  520   2HZ   LYS  64          2HZ       LYS  64  14.058   3.696   0.323
  521   3HZ   LYS  64          3HZ       LYS  64  13.469   4.731   1.533
  522    H    LEU  65           H        LEU  65   6.123   6.458   1.080
  523    HA   LEU  65           HA       LEU  65   5.891   9.218   1.511
  524   1HB   LEU  65          2HB       LEU  65   4.024   6.902   1.220
  525   2HB   LEU  65          1HB       LEU  65   3.330   8.458   1.680
  526    HG   LEU  65           HG       LEU  65   4.782   9.397  -0.283
  527   1HD1  LEU  65          1HD1      LEU  65   4.615   6.439  -0.915
  528   2HD1  LEU  65          2HD1      LEU  65   6.075   7.418  -0.769
  529   3HD1  LEU  65          3HD1      LEU  65   4.974   7.674  -2.122
  530   1HD2  LEU  65          1HD2      LEU  65   2.916   9.131  -1.774
  531   2HD2  LEU  65          2HD2      LEU  65   2.249   9.180  -0.143
  532   3HD2  LEU  65          3HD2      LEU  65   2.417   7.638  -0.981
  533    H    LYS  66           H        LYS  66   5.562   6.650   3.875
  534    HA   LYS  66           HA       LYS  66   4.081   8.146   5.870
  535   1HB   LYS  66          2HB       LYS  66   4.235   5.695   5.811
  536   2HB   LYS  66          1HB       LYS  66   5.978   5.778   6.053
  537   1HG   LYS  66          2HG       LYS  66   5.773   6.176   8.286
  538   2HG   LYS  66          1HG       LYS  66   4.392   7.248   8.065
  539   1HD   LYS  66          2HD       LYS  66   2.862   5.437   7.958
  540   2HD   LYS  66          1HD       LYS  66   4.150   4.261   7.695
  541   1HE   LYS  66          2HE       LYS  66   4.939   5.314  10.084
  542   2HE   LYS  66          1HE       LYS  66   3.175   5.436  10.233
  543   1HZ   LYS  66          1HZ       LYS  66   3.962   3.242  10.913
  544   2HZ   LYS  66          2HZ       LYS  66   4.672   3.011   9.387
  545   3HZ   LYS  66          3HZ       LYS  66   2.984   3.135   9.532
  546    H    GLU  67           H        GLU  67   7.560   7.328   5.562
  547    HA   GLU  67           HA       GLU  67   8.470   8.920   7.761
  548   1HB   GLU  67          2HB       GLU  67   9.715   7.879   5.205
  549   2HB   GLU  67          1HB       GLU  67  10.660   8.764   6.403
  550   1HG   GLU  67          2HG       GLU  67   9.799   7.098   8.129
  551   2HG   GLU  67          1HG       GLU  67   9.189   6.146   6.775
  552    H    LYS  68           H        LYS  68   8.396   9.629   4.251
  553    HA   LYS  68           HA       LYS  68   9.370  12.299   4.358
  554   1HB   LYS  68          2HB       LYS  68   7.455  10.840   2.517
  555   2HB   LYS  68          1HB       LYS  68   8.063  12.459   2.170
  556   1HG   LYS  68          2HG       LYS  68  10.339  11.678   2.115
  557   2HG   LYS  68          1HG       LYS  68   9.867  10.092   2.730
  558   1HD   LYS  68          2HD       LYS  68   8.816   9.485   0.710
  559   2HD   LYS  68          1HD       LYS  68   8.708  11.157   0.160
  560   1HE   LYS  68          2HE       LYS  68  11.058  11.265  -0.294
  561   2HE   LYS  68          1HE       LYS  68  11.362   9.748   0.576
  562   1HZ   LYS  68          1HZ       LYS  68   9.942   8.595  -1.005
  563   2HZ   LYS  68          2HZ       LYS  68  11.223   9.366  -1.815
  564   3HZ   LYS  68          3HZ       LYS  68   9.663  10.041  -1.848
  565    H    TYR  69           H        TYR  69   6.274  10.996   5.303
  566    HA   TYR  69           HA       TYR  69   4.874  13.586   5.173
  567   1HB   TYR  69          2HB       TYR  69   3.720  11.489   4.662
  568   2HB   TYR  69          1HB       TYR  69   4.180  10.819   6.224
  569    HD1  TYR  69           1HD      TYR  69   3.276  11.885   8.339
  570    HD2  TYR  69           2HD      TYR  69   1.789  12.874   4.433
  571    HE1  TYR  69           1HE      TYR  69   1.238  12.855   9.362
  572    HE2  TYR  69           2HE      TYR  69  -0.249  13.848   5.456
  573    HH   TYR  69           HH       TYR  69  -0.511  14.417   8.846
  574    H    GLU  70           H        GLU  70   5.610  11.251   7.792
  575    HA   GLU  70           HA       GLU  70   5.014  13.099   9.925
  576   1HB   GLU  70          2HB       GLU  70   6.149  10.387   9.545
  577   2HB   GLU  70          1HB       GLU  70   6.583  11.188  11.055
  578   1HG   GLU  70          2HG       GLU  70   4.405  11.229  11.823
  579   2HG   GLU  70          1HG       GLU  70   3.723  11.289  10.197
  580    H    LYS  71           H        LYS  71   8.050  12.297   8.248
  581    HA   LYS  71           HA       LYS  71   9.683  13.782  10.194
  582   1HB   LYS  71          2HB       LYS  71  10.307  12.536   7.501
  583   2HB   LYS  71          1HB       LYS  71  11.505  13.117   8.655
  584   1HG   LYS  71          2HG       LYS  71   9.441  11.013   9.347
  585   2HG   LYS  71          1HG       LYS  71  11.054  10.619   8.749
  586   1HD   LYS  71          2HD       LYS  71  11.919  12.137  10.655
  587   2HD   LYS  71          1HD       LYS  71  10.295  11.993  11.327
  588   1HE   LYS  71          2HE       LYS  71  11.776   9.504  10.495
  589   2HE   LYS  71          1HE       LYS  71  12.111  10.252  12.070
  590   1HZ   LYS  71          1HZ       LYS  71  10.282   8.695  12.268
  591   2HZ   LYS  71          2HZ       LYS  71   9.432   9.489  11.030
  592   3HZ   LYS  71          3HZ       LYS  71   9.719  10.277  12.506
  593    H    ASP  72           H        ASP  72   7.910  14.615   7.338
  594    HA   ASP  72           HA       ASP  72   9.606  17.043   6.911
  595   1HB   ASP  72          2HB       ASP  72   8.952  15.286   5.106
  596   2HB   ASP  72          1HB       ASP  72   7.370  16.066   5.144
  597    H    ILE  73           H        ILE  73   6.459  16.020   8.043
  598    HA   ILE  73           HA       ILE  73   5.195  18.641   7.658
  599    HB   ILE  73           HB       ILE  73   4.014  16.443   7.563
  600   1HG1  ILE  73          2HG1      ILE  73   2.239  17.185   9.406
  601   2HG1  ILE  73          1HG1      ILE  73   3.236  18.639   9.438
  602   1HG2  ILE  73          1HG2      ILE  73   3.939  14.970   9.316
  603   2HG2  ILE  73          2HG2      ILE  73   3.959  16.251  10.528
  604   3HG2  ILE  73          3HG2      ILE  73   5.459  15.753   9.747
  605   1HD1  ILE  73          1HD1      ILE  73   2.130  17.432   6.889
  606   2HD1  ILE  73          2HD1      ILE  73   2.919  18.999   7.075
  607   3HD1  ILE  73          3HD1      ILE  73   1.327  18.724   7.782
  608    H    ALA  74           H        ALA  74   7.086  17.082  10.146
  609    HA   ALA  74           HA       ALA  74   6.193  18.559  12.440
  610   1HB   ALA  74          1HB       ALA  74   8.523  17.909  13.258
  611   2HB   ALA  74          2HB       ALA  74   8.809  17.242  11.651
  612   3HB   ALA  74          3HB       ALA  74   7.535  16.572  12.671
  613    H    ALA  75           H        ALA  75   8.726  19.194  10.017
  614    HA   ALA  75           HA       ALA  75   9.363  21.811  11.259
  615   1HB   ALA  75          1HB       ALA  75  11.193  21.771   9.635
  616   2HB   ALA  75          2HB       ALA  75  10.456  20.402   8.803
  617   3HB   ALA  75          3HB       ALA  75  11.092  20.204  10.435
  618    H    TYR  76           H        TYR  76   7.090  20.667   9.018
  619    HA   TYR  76           HA       TYR  76   7.207  22.973   7.188
  620   1HB   TYR  76          2HB       TYR  76   6.650  20.631   6.508
  621   2HB   TYR  76          1HB       TYR  76   5.191  20.720   7.495
  622    HD1  TYR  76           1HD      TYR  76   6.911  22.048   4.502
  623    HD2  TYR  76           2HD      TYR  76   3.279  22.034   6.795
  624    HE1  TYR  76           1HE      TYR  76   5.727  23.163   2.631
  625    HE2  TYR  76           2HE      TYR  76   2.094  23.149   4.923
  626    HH   TYR  76           HH       TYR  76   3.485  24.756   2.568
  627    H    ARG  77           H        ARG  77   5.475  22.001  10.081
  628    HA   ARG  77           HA       ARG  77   3.222  23.802   9.776
  629   1HB   ARG  77          2HB       ARG  77   4.505  22.376  12.128
  630   2HB   ARG  77          1HB       ARG  77   2.985  23.264  12.244
  631   1HG   ARG  77          2HG       ARG  77   1.830  21.732  10.943
  632   2HG   ARG  77          1HG       ARG  77   3.279  21.220  10.076
  633   1HD   ARG  77          2HD       ARG  77   3.202  19.396  11.454
  634   2HD   ARG  77          1HD       ARG  77   3.867  20.491  12.684
  635    HE   ARG  77           HE       ARG  77   1.481  21.015  13.310
  636   1HH1  ARG  77          1HH1      ARG  77   1.992  18.226  14.161
  637   2HH1  ARG  77          2HH1      ARG  77   0.674  17.360  13.447
  638   1HH2  ARG  77          1HH2      ARG  77  -0.130  19.891  11.218
  639   2HH2  ARG  77          2HH2      ARG  77  -0.528  18.302  11.780
  640    H    ALA  78           H        ALA  78   5.526  24.032  12.488
  641    HA   ALA  78           HA       ALA  78   5.860  26.949  11.886
  642   1HB   ALA  78          1HB       ALA  78   5.179  27.455  14.051
  643   2HB   ALA  78          2HB       ALA  78   5.727  25.905  14.692
  644   3HB   ALA  78          3HB       ALA  78   4.223  25.998  13.776
  645    H    LYS  79           H        LYS  79   7.498  27.063  14.464
  646    HA   LYS  79           HA       LYS  79   9.782  26.919  15.031
  647   1HB   LYS  79          2HB       LYS  79   9.339  24.221  13.751
  648   2HB   LYS  79          1HB       LYS  79  10.680  24.622  14.815
  649   1HG   LYS  79          2HG       LYS  79   9.378  24.569  16.694
  650   2HG   LYS  79          1HG       LYS  79   7.975  25.243  15.865
  651   1HD   LYS  79          2HD       LYS  79   8.947  22.430  15.337
  652   2HD   LYS  79          1HD       LYS  79   7.786  22.796  16.614
  653   1HE   LYS  79          2HE       LYS  79   6.475  24.054  14.722
  654   2HE   LYS  79          1HE       LYS  79   7.445  23.044  13.631
  655   1HZ   LYS  79          1HZ       LYS  79   6.718  21.088  14.725
  656   2HZ   LYS  79          2HZ       LYS  79   5.320  22.000  14.409
  657   3HZ   LYS  79          3HZ       LYS  79   5.980  21.965  15.975
  Start of MODEL   12
    1   1H    MET   1          1HT       MET   1 -14.507  13.147  -0.305
    2   2H    MET   1          2HT       MET   1 -13.539  13.815   0.920
    3   3H    MET   1          3HT       MET   1 -12.991  12.470   0.039
    4    HA   MET   1           HA       MET   1 -12.941  13.836  -1.997
    5   1HB   MET   1          2HB       MET   1 -14.762  15.298  -0.741
    6   2HB   MET   1          1HB       MET   1 -13.348  16.200  -0.194
    7   1HG   MET   1          2HG       MET   1 -14.056  17.257  -2.220
    8   2HG   MET   1          1HG       MET   1 -12.631  16.307  -2.639
    9   1HE   MET   1          1HE       MET   1 -12.375  14.563  -3.771
   10   2HE   MET   1          2HE       MET   1 -13.009  15.183  -5.291
   11   3HE   MET   1          3HE       MET   1 -13.502  13.590  -4.726
   12    H    LYS   2           H        LYS   2 -10.986  15.150  -2.454
   13    HA   LYS   2           HA       LYS   2  -8.884  14.708  -0.401
   14   1HB   LYS   2          2HB       LYS   2  -9.120  14.895  -3.331
   15   2HB   LYS   2          1HB       LYS   2  -7.683  15.684  -2.680
   16   1HG   LYS   2          2HG       LYS   2  -7.791  13.298  -1.256
   17   2HG   LYS   2          1HG       LYS   2  -8.316  12.829  -2.869
   18   1HD   LYS   2          2HD       LYS   2  -6.261  14.257  -3.660
   19   2HD   LYS   2          1HD       LYS   2  -5.700  14.022  -2.004
   20   1HE   LYS   2          2HE       LYS   2  -6.699  11.560  -3.289
   21   2HE   LYS   2          1HE       LYS   2  -5.254  12.254  -4.048
   22   1HZ   LYS   2          1HZ       LYS   2  -4.656  10.822  -2.179
   23   2HZ   LYS   2          2HZ       LYS   2  -5.606  11.769  -1.136
   24   3HZ   LYS   2          3HZ       LYS   2  -4.227  12.434  -1.871
   25    H    LYS   3           H        LYS   3  -7.071  16.665  -1.005
   26    HA   LYS   3           HA       LYS   3  -8.101  19.332  -1.233
   27   1HB   LYS   3          2HB       LYS   3  -8.653  18.057   1.205
   28   2HB   LYS   3          1HB       LYS   3  -7.281  19.104   1.564
   29   1HG   LYS   3          2HG       LYS   3  -9.621  20.168  -0.002
   30   2HG   LYS   3          1HG       LYS   3  -9.696  20.085   1.758
   31   1HD   LYS   3          2HD       LYS   3  -7.616  21.407   1.911
   32   2HD   LYS   3          1HD       LYS   3  -7.545  21.497   0.151
   33   1HE   LYS   3          2HE       LYS   3  -8.589  23.537   0.755
   34   2HE   LYS   3          1HE       LYS   3  -9.967  22.490   0.358
   35   1HZ   LYS   3          1HZ       LYS   3 -10.291  23.516   2.518
   36   2HZ   LYS   3          2HZ       LYS   3  -8.806  22.897   3.066
   37   3HZ   LYS   3          3HZ       LYS   3 -10.086  21.842   2.694
   38    H    LYS   4           H        LYS   4  -5.587  17.218   0.096
   39    HA   LYS   4           HA       LYS   4  -3.495  19.060   0.506
   40   1HB   LYS   4          2HB       LYS   4  -3.497  16.195  -0.487
   41   2HB   LYS   4          1HB       LYS   4  -2.061  17.032   0.102
   42   1HG   LYS   4          2HG       LYS   4  -4.471  17.098   1.851
   43   2HG   LYS   4          1HG       LYS   4  -3.615  15.561   1.725
   44   1HD   LYS   4          2HD       LYS   4  -2.460  16.562   3.479
   45   2HD   LYS   4          1HD       LYS   4  -1.480  17.066   2.102
   46   1HE   LYS   4          2HE       LYS   4  -2.339  19.259   2.127
   47   2HE   LYS   4          1HE       LYS   4  -3.783  18.779   3.042
   48   1HZ   LYS   4          1HZ       LYS   4  -2.142  19.848   4.481
   49   2HZ   LYS   4          2HZ       LYS   4  -0.989  18.675   4.055
   50   3HZ   LYS   4          3HZ       LYS   4  -2.380  18.229   4.923
   51    H    ASP   5           H        ASP   5  -1.382  18.486  -1.073
   52    HA   ASP   5           HA       ASP   5  -2.126  18.975  -3.918
   53   1HB   ASP   5          2HB       ASP   5  -1.330  20.956  -1.966
   54   2HB   ASP   5          1HB       ASP   5  -0.090  20.845  -3.216
   55    HA   PRO   6           HA       PRO   6   1.629  16.837  -4.802
   56   1HB   PRO   6          2HB       PRO   6   3.081  18.407  -6.513
   57   2HB   PRO   6          1HB       PRO   6   1.610  17.544  -7.002
   58   1HG   PRO   6          2HG       PRO   6   1.966  20.407  -6.267
   59   2HG   PRO   6          1HG       PRO   6   0.976  19.685  -7.545
   60   1HD   PRO   6          2HD       PRO   6  -0.052  20.552  -5.194
   61   2HD   PRO   6          1HD       PRO   6  -0.758  19.211  -6.119
   62    H    ASN   7           H        ASN   7   2.219  20.233  -3.964
   63    HA   ASN   7           HA       ASN   7   4.965  19.794  -3.083
   64   1HB   ASN   7          2HB       ASN   7   3.725  21.925  -3.940
   65   2HB   ASN   7          1HB       ASN   7   3.173  22.080  -2.273
   66   1HD2  ASN   7          1HD2      ASN   7   4.978  22.082  -0.569
   67   2HD2  ASN   7          2HD2      ASN   7   6.465  22.783  -0.993
   68    H    ALA   8           H        ALA   8   1.808  19.498  -1.600
   69    HA   ALA   8           HA       ALA   8   3.040  19.311   1.118
   70   1HB   ALA   8          1HB       ALA   8   0.099  19.288   0.428
   71   2HB   ALA   8          2HB       ALA   8   1.003  20.801   0.449
   72   3HB   ALA   8          3HB       ALA   8   0.871  19.833   1.917
   73    HA   PRO   9           HA       PRO   9   2.609  14.906   0.552
   74   1HB   PRO   9          2HB       PRO   9   3.018  14.099   3.133
   75   2HB   PRO   9          1HB       PRO   9   4.334  14.617   2.061
   76   1HG   PRO   9          2HG       PRO   9   2.949  16.123   4.221
   77   2HG   PRO   9          1HG       PRO   9   4.661  16.109   3.772
   78   1HD   PRO   9          2HD       PRO   9   2.943  18.111   3.076
   79   2HD   PRO   9          1HD       PRO   9   4.376  17.674   2.120
   80    H    LYS  10           H        LYS  10   0.601  14.039   0.255
   81    HA   LYS  10           HA       LYS  10  -1.751  14.833   1.670
   82   1HB   LYS  10          2HB       LYS  10  -2.744  12.900   0.454
   83   2HB   LYS  10          1HB       LYS  10  -1.729  13.883  -0.599
   84   1HG   LYS  10          2HG       LYS  10  -0.105  11.865   0.684
   85   2HG   LYS  10          1HG       LYS  10  -1.498  11.099  -0.077
   86   1HD   LYS  10          2HD       LYS  10  -0.977  12.229  -2.201
   87   2HD   LYS  10          1HD       LYS  10   0.405  13.023  -1.448
   88   1HE   LYS  10          2HE       LYS  10   1.424  10.807  -0.985
   89   2HE   LYS  10          1HE       LYS  10   0.048  10.023  -1.788
   90   1HZ   LYS  10          1HZ       LYS  10   1.931  10.423  -3.311
   91   2HZ   LYS  10          2HZ       LYS  10   1.776  12.093  -3.038
   92   3HZ   LYS  10          3HZ       LYS  10   0.521  11.232  -3.792
   93    H    ARG  11           H        ARG  11  -3.074  12.527   2.437
   94    HA   ARG  11           HA       ARG  11  -2.136  12.040   5.085
   95   1HB   ARG  11          2HB       ARG  11  -4.142  10.890   3.189
   96   2HB   ARG  11          1HB       ARG  11  -3.767   9.959   4.638
   97   1HG   ARG  11          2HG       ARG  11  -5.589  11.376   5.244
   98   2HG   ARG  11          1HG       ARG  11  -4.155  12.120   5.953
   99   1HD   ARG  11          2HD       ARG  11  -4.007  13.702   4.082
  100   2HD   ARG  11          1HD       ARG  11  -5.397  12.927   3.296
  101    HE   ARG  11           HE       ARG  11  -5.505  14.571   5.758
  102   1HH1  ARG  11          1HH1      ARG  11  -7.248  12.219   6.197
  103   2HH1  ARG  11          2HH1      ARG  11  -8.752  12.722   5.503
  104   1HH2  ARG  11          1HH2      ARG  11  -7.353  15.333   3.700
  105   2HH2  ARG  11          2HH2      ARG  11  -8.812  14.485   4.090
  106    HA   PRO  12           HA       PRO  12   0.962   8.984   4.282
  107   1HB   PRO  12          2HB       PRO  12   1.092   7.778   6.732
  108   2HB   PRO  12          1HB       PRO  12   1.780   9.382   6.404
  109   1HG   PRO  12          2HG       PRO  12  -0.758   8.652   7.762
  110   2HG   PRO  12          1HG       PRO  12   0.372   9.970   8.099
  111   1HD   PRO  12          2HD       PRO  12  -2.006  10.283   6.769
  112   2HD   PRO  12          1HD       PRO  12  -0.611  11.371   6.599
  113    HA   PRO  13           HA       PRO  13  -1.822   5.525   3.557
  114   1HB   PRO  13          2HB       PRO  13  -0.262   4.201   1.745
  115   2HB   PRO  13          1HB       PRO  13  -1.231   5.626   1.327
  116   1HG   PRO  13          2HG       PRO  13   1.678   5.378   1.720
  117   2HG   PRO  13          1HG       PRO  13   0.763   6.515   0.723
  118   1HD   PRO  13          2HD       PRO  13   1.918   7.036   3.231
  119   2HD   PRO  13          1HD       PRO  13   0.772   8.074   2.360
  120    H    SER  14           H        SER  14  -1.330   2.970   3.460
  121    HA   SER  14           HA       SER  14   0.994   2.039   4.955
  122   1HB   SER  14          2HB       SER  14  -0.306   3.216   6.700
  123   2HB   SER  14          1HB       SER  14  -1.707   2.217   6.327
  124    HG   SER  14           HG       SER  14  -0.662   1.253   8.019
  125    H    ALA  15           H        ALA  15   0.326   0.924   2.628
  126    HA   ALA  15           HA       ALA  15  -0.119  -1.125   1.632
  127   1HB   ALA  15          1HB       ALA  15  -1.174  -2.598   3.887
  128   2HB   ALA  15          2HB       ALA  15   0.247  -1.685   4.390
  129   3HB   ALA  15          3HB       ALA  15   0.359  -2.819   3.046
  130    H    PHE  16           H        PHE  16  -2.636  -1.301   4.189
  131    HA   PHE  16           HA       PHE  16  -4.771  -2.064   2.567
  132   1HB   PHE  16          2HB       PHE  16  -4.492  -1.706   5.131
  133   2HB   PHE  16          1HB       PHE  16  -5.070  -0.072   4.810
  134    HD1  PHE  16           1HD      PHE  16  -7.212   0.024   3.197
  135    HD2  PHE  16           2HD      PHE  16  -6.087  -3.333   5.630
  136    HE1  PHE  16           1HE      PHE  16  -9.546  -0.808   3.128
  137    HE2  PHE  16           2HE      PHE  16  -8.422  -4.165   5.561
  138    HZ   PHE  16           HZ       PHE  16 -10.152  -2.902   4.310
  139    H    PHE  17           H        PHE  17  -3.827   1.288   3.378
  140    HA   PHE  17           HA       PHE  17  -5.879   2.632   1.925
  141   1HB   PHE  17          2HB       PHE  17  -3.878   3.339   3.586
  142   2HB   PHE  17          1HB       PHE  17  -3.129   3.783   2.053
  143    HD1  PHE  17           1HD      PHE  17  -5.373   4.822   4.611
  144    HD2  PHE  17           2HD      PHE  17  -4.614   5.170   0.398
  145    HE1  PHE  17           1HE      PHE  17  -6.749   6.883   4.535
  146    HE2  PHE  17           2HE      PHE  17  -5.990   7.231   0.321
  147    HZ   PHE  17           HZ       PHE  17  -7.058   8.088   2.389
  148    H    LEU  18           H        LEU  18  -2.856   1.151   0.846
  149    HA   LEU  18           HA       LEU  18  -2.930   2.419  -1.800
  150   1HB   LEU  18          2HB       LEU  18  -1.309   0.033  -0.861
  151   2HB   LEU  18          1HB       LEU  18  -0.911   1.149  -2.161
  152    HG   LEU  18           HG       LEU  18  -0.988   1.792   0.806
  153   1HD1  LEU  18          1HD1      LEU  18   1.390   2.011   0.628
  154   2HD1  LEU  18          2HD1      LEU  18   1.334   1.896  -1.131
  155   3HD1  LEU  18          3HD1      LEU  18   0.974   0.480  -0.142
  156   1HD2  LEU  18          1HD2      LEU  18   0.119   3.972  -0.204
  157   2HD2  LEU  18          2HD2      LEU  18  -1.637   3.825  -0.158
  158   3HD2  LEU  18          3HD2      LEU  18  -0.765   3.507  -1.657
  159    H    PHE  19           H        PHE  19  -3.780  -0.726  -0.381
  160    HA   PHE  19           HA       PHE  19  -4.264  -2.079  -2.897
  161   1HB   PHE  19          2HB       PHE  19  -3.760  -3.099  -0.645
  162   2HB   PHE  19          1HB       PHE  19  -5.388  -2.646  -0.137
  163    HD1  PHE  19           1HD      PHE  19  -7.304  -3.893  -0.835
  164    HD2  PHE  19           2HD      PHE  19  -3.455  -4.693  -2.564
  165    HE1  PHE  19           1HE      PHE  19  -8.209  -5.940  -1.902
  166    HE2  PHE  19           2HE      PHE  19  -4.360  -6.741  -3.631
  167    HZ   PHE  19           HZ       PHE  19  -6.737  -7.363  -3.300
  168    H    CYS  20           H        CYS  20  -6.512  -0.751  -0.434
  169    HA   CYS  20           HA       CYS  20  -8.942  -1.237  -1.810
  170   1HB   CYS  20          2HB       CYS  20  -8.585  -0.480   0.567
  171   2HB   CYS  20          1HB       CYS  20  -8.239   1.135  -0.053
  172    HG   CYS  20           HG       CYS  20 -10.677   1.357  -0.844
  173    H    SER  21           H        SER  21  -7.072   1.823  -1.747
  174    HA   SER  21           HA       SER  21  -8.608   3.288  -3.614
  175   1HB   SER  21          2HB       SER  21  -6.687   4.018  -2.109
  176   2HB   SER  21          1HB       SER  21  -5.594   3.359  -3.321
  177    HG   SER  21           HG       SER  21  -7.463   5.471  -3.570
  178    H    GLU  22           H        GLU  22  -6.340   0.671  -4.183
  179    HA   GLU  22           HA       GLU  22  -6.243   1.250  -7.097
  180   1HB   GLU  22          2HB       GLU  22  -4.727  -0.354  -5.102
  181   2HB   GLU  22          1HB       GLU  22  -4.687  -0.894  -6.777
  182   1HG   GLU  22          2HG       GLU  22  -4.035   1.925  -5.870
  183   2HG   GLU  22          1HG       GLU  22  -2.828   0.685  -6.213
  184    H    TYR  23           H        TYR  23  -7.793  -0.906  -4.820
  185    HA   TYR  23           HA       TYR  23  -8.563  -2.798  -6.990
  186   1HB   TYR  23          2HB       TYR  23  -8.346  -2.797  -4.024
  187   2HB   TYR  23          1HB       TYR  23  -9.612  -3.813  -4.714
  188    HD1  TYR  23           1HD      TYR  23  -5.993  -2.968  -5.234
  189    HD2  TYR  23           2HD      TYR  23  -9.062  -5.966  -5.423
  190    HE1  TYR  23           1HE      TYR  23  -4.296  -4.666  -5.857
  191    HE2  TYR  23           2HE      TYR  23  -7.365  -7.664  -6.046
  192    HH   TYR  23           HH       TYR  23  -4.974  -8.027  -5.859
  193    H    ARG  24           H        ARG  24  -9.758   0.071  -6.269
  194    HA   ARG  24           HA       ARG  24 -12.566  -0.676  -5.772
  195   1HB   ARG  24          2HB       ARG  24 -10.952   1.849  -5.892
  196   2HB   ARG  24          1HB       ARG  24 -12.714   1.911  -5.969
  197   1HG   ARG  24          2HG       ARG  24 -12.972   0.942  -3.836
  198   2HG   ARG  24          1HG       ARG  24 -11.318   0.331  -3.818
  199   1HD   ARG  24          2HD       ARG  24 -10.700   2.207  -2.704
  200   2HD   ARG  24          1HD       ARG  24 -11.128   3.155  -4.141
  201    HE   ARG  24           HE       ARG  24 -13.010   2.526  -1.905
  202   1HH1  ARG  24          1HH1      ARG  24 -14.119   3.021  -4.731
  203   2HH1  ARG  24          2HH1      ARG  24 -14.512   4.705  -4.630
  204   1HH2  ARG  24          1HH2      ARG  24 -12.636   5.243  -1.764
  205   2HH2  ARG  24          2HH2      ARG  24 -13.672   5.963  -2.951
  206    HA   PRO  25           HA       PRO  25 -12.952   1.403 -10.106
  207   1HB   PRO  25          2HB       PRO  25 -10.782   1.270 -11.768
  208   2HB   PRO  25          1HB       PRO  25 -11.144   2.666 -10.734
  209   1HG   PRO  25          2HG       PRO  25  -9.197   0.461 -10.325
  210   2HG   PRO  25          1HG       PRO  25  -9.051   2.185  -9.949
  211   1HD   PRO  25          2HD       PRO  25  -9.572   0.284  -8.101
  212   2HD   PRO  25          1HD       PRO  25 -10.114   1.965  -7.927
  213    H    LYS  26           H        LYS  26 -11.182  -1.486  -9.382
  214    HA   LYS  26           HA       LYS  26 -11.747  -2.955 -11.827
  215   1HB   LYS  26          2HB       LYS  26  -9.992  -3.403 -10.012
  216   2HB   LYS  26          1HB       LYS  26 -11.323  -3.993  -9.011
  217   1HG   LYS  26          2HG       LYS  26 -10.983  -5.069 -11.796
  218   2HG   LYS  26          1HG       LYS  26  -9.960  -5.688 -10.499
  219   1HD   LYS  26          2HD       LYS  26 -12.176  -5.975  -9.177
  220   2HD   LYS  26          1HD       LYS  26 -12.960  -5.821 -10.750
  221   1HE   LYS  26          2HE       LYS  26 -11.117  -7.635 -11.442
  222   2HE   LYS  26          1HE       LYS  26 -11.226  -8.024  -9.713
  223   1HZ   LYS  26          1HZ       LYS  26 -13.607  -8.171  -9.895
  224   2HZ   LYS  26          2HZ       LYS  26 -12.907  -9.205 -11.048
  225   3HZ   LYS  26          3HZ       LYS  26 -13.559  -7.711 -11.527
  226    H    ILE  27           H        ILE  27 -13.164  -2.872  -8.561
  227    HA   ILE  27           HA       ILE  27 -15.328  -4.654  -8.890
  228    HB   ILE  27           HB       ILE  27 -15.265  -2.037  -7.346
  229   1HG1  ILE  27          2HG1      ILE  27 -13.284  -3.223  -6.680
  230   2HG1  ILE  27          1HG1      ILE  27 -14.480  -3.493  -5.424
  231   1HG2  ILE  27          1HG2      ILE  27 -16.741  -3.341  -5.770
  232   2HG2  ILE  27          2HG2      ILE  27 -16.840  -4.592  -7.010
  233   3HG2  ILE  27          3HG2      ILE  27 -17.463  -2.975  -7.338
  234   1HD1  ILE  27          1HD1      ILE  27 -15.076  -5.644  -6.707
  235   2HD1  ILE  27          2HD1      ILE  27 -13.558  -5.627  -5.810
  236   3HD1  ILE  27          3HD1      ILE  27 -13.551  -5.403  -7.559
  237    H    LYS  28           H        LYS  28 -14.966  -1.308  -9.891
  238    HA   LYS  28           HA       LYS  28 -17.781  -0.832 -10.389
  239   1HB   LYS  28          2HB       LYS  28 -15.618   0.709 -11.800
  240   2HB   LYS  28          1HB       LYS  28 -17.110   1.290 -11.079
  241   1HG   LYS  28          2HG       LYS  28 -14.529   0.574  -9.724
  242   2HG   LYS  28          1HG       LYS  28 -15.354   2.115  -9.706
  243   1HD   LYS  28          2HD       LYS  28 -16.217  -0.432  -8.290
  244   2HD   LYS  28          1HD       LYS  28 -15.631   1.052  -7.547
  245   1HE   LYS  28          2HE       LYS  28 -18.107   1.020  -9.302
  246   2HE   LYS  28          1HE       LYS  28 -18.178   0.761  -7.549
  247   1HZ   LYS  28          1HZ       LYS  28 -18.383   3.095  -7.954
  248   2HZ   LYS  28          2HZ       LYS  28 -17.016   3.100  -8.964
  249   3HZ   LYS  28          3HZ       LYS  28 -16.845   2.819  -7.297
  250    H    SER  29           H        SER  29 -15.077  -1.944 -12.384
  251    HA   SER  29           HA       SER  29 -16.330  -1.732 -14.947
  252   1HB   SER  29          2HB       SER  29 -13.900  -2.177 -14.356
  253   2HB   SER  29          1HB       SER  29 -14.365  -3.837 -13.998
  254    HG   SER  29           HG       SER  29 -14.488  -4.222 -16.062
  255    H    GLU  30           H        GLU  30 -16.753  -4.040 -12.342
  256    HA   GLU  30           HA       GLU  30 -18.496  -5.712 -14.124
  257   1HB   GLU  30          2HB       GLU  30 -16.441  -6.253 -12.070
  258   2HB   GLU  30          1HB       GLU  30 -17.886  -7.254 -11.940
  259   1HG   GLU  30          2HG       GLU  30 -16.443  -6.861 -14.566
  260   2HG   GLU  30          1HG       GLU  30 -16.011  -8.152 -13.444
  261    H    HIS  31           H        HIS  31 -18.414  -3.706 -11.297
  262    HA   HIS  31           HA       HIS  31 -21.218  -4.560 -10.649
  263   1HB   HIS  31          2HB       HIS  31 -19.132  -3.560  -8.681
  264   2HB   HIS  31          1HB       HIS  31 -20.711  -4.232  -8.301
  265    HD1  HIS  31           1HD      HIS  31 -17.225  -5.187  -9.101
  266    HD2  HIS  31           2HD      HIS  31 -20.908  -7.103  -8.744
  267    HE1  HIS  31           1HE      HIS  31 -16.729  -7.664  -8.969
  268    HA   PRO  32           HA       PRO  32 -21.287  -0.108 -11.655
  269   1HB   PRO  32          2HB       PRO  32 -23.837  -0.090 -12.645
  270   2HB   PRO  32          1HB       PRO  32 -22.425  -0.537 -13.615
  271   1HG   PRO  32          2HG       PRO  32 -24.477  -2.267 -12.364
  272   2HG   PRO  32          1HG       PRO  32 -23.593  -2.476 -13.883
  273   1HD   PRO  32          2HD       PRO  32 -23.023  -3.800 -11.533
  274   2HD   PRO  32          1HD       PRO  32 -21.881  -3.569 -12.872
  275    H    GLY  33           H        GLY  33 -23.775  -2.072 -10.074
  276   1HA   GLY  33          2HA       GLY  33 -25.012   0.167  -8.697
  277   2HA   GLY  33          1HA       GLY  33 -25.296  -1.540  -8.367
  278    H    LEU  34           H        LEU  34 -22.211  -1.790  -8.125
  279    HA   LEU  34           HA       LEU  34 -21.985  -1.806  -5.308
  280   1HB   LEU  34          2HB       LEU  34 -20.366  -2.241  -7.657
  281   2HB   LEU  34          1HB       LEU  34 -19.420  -1.349  -6.474
  282    HG   LEU  34           HG       LEU  34 -19.206  -3.823  -6.226
  283   1HD1  LEU  34          1HD1      LEU  34 -20.309  -2.068  -4.065
  284   2HD1  LEU  34          2HD1      LEU  34 -18.690  -2.744  -4.244
  285   3HD1  LEU  34          3HD1      LEU  34 -20.021  -3.774  -3.718
  286   1HD2  LEU  34          1HD2      LEU  34 -21.896  -3.904  -6.730
  287   2HD2  LEU  34          2HD2      LEU  34 -21.881  -4.061  -4.974
  288   3HD2  LEU  34          3HD2      LEU  34 -20.997  -5.217  -5.970
  289    H    SER  35           H        SER  35 -22.883   0.322  -4.656
  290    HA   SER  35           HA       SER  35 -21.550   2.814  -5.336
  291   1HB   SER  35          2HB       SER  35 -23.905   2.625  -4.599
  292   2HB   SER  35          1HB       SER  35 -23.369   2.022  -3.033
  293    HG   SER  35           HG       SER  35 -23.764   4.255  -2.950
  294    H    ILE  36           H        ILE  36 -20.671   4.183  -3.347
  295    HA   ILE  36           HA       ILE  36 -18.237   3.054  -2.422
  296    HB   ILE  36           HB       ILE  36 -19.964   5.290  -1.301
  297   1HG1  ILE  36          2HG1      ILE  36 -19.313   5.596  -3.666
  298   2HG1  ILE  36          1HG1      ILE  36 -18.471   6.747  -2.632
  299   1HG2  ILE  36          1HG2      ILE  36 -17.713   6.125  -0.433
  300   2HG2  ILE  36          2HG2      ILE  36 -17.085   4.513  -0.775
  301   3HG2  ILE  36          3HG2      ILE  36 -18.381   4.722   0.402
  302   1HD1  ILE  36          1HD1      ILE  36 -16.519   5.128  -2.584
  303   2HD1  ILE  36          2HD1      ILE  36 -16.841   5.850  -4.161
  304   3HD1  ILE  36          3HD1      ILE  36 -17.354   4.196  -3.828
  305    H    GLY  37           H        GLY  37 -21.474   2.953  -1.031
  306   1HA   GLY  37          2HA       GLY  37 -20.821   2.167   1.622
  307   2HA   GLY  37          1HA       GLY  37 -22.328   1.758   0.799
  308    H    ASP  38           H        ASP  38 -21.942  -0.007  -0.995
  309    HA   ASP  38           HA       ASP  38 -20.969  -2.393   0.341
  310   1HB   ASP  38          2HB       ASP  38 -22.316  -1.584  -2.165
  311   2HB   ASP  38          1HB       ASP  38 -21.342  -3.048  -2.306
  312    H    THR  39           H        THR  39 -19.629  -0.203  -2.090
  313    HA   THR  39           HA       THR  39 -17.445  -1.892  -2.949
  314    HB   THR  39           HB       THR  39 -17.782   1.127  -2.888
  315    HG1  THR  39           1HG      THR  39 -18.724   0.869  -4.812
  316   1HG2  THR  39          1HG2      THR  39 -15.867  -0.655  -4.420
  317   2HG2  THR  39          2HG2      THR  39 -15.443   0.561  -3.216
  318   3HG2  THR  39          3HG2      THR  39 -16.122   1.055  -4.767
  319    H    ALA  40           H        ALA  40 -17.895   0.354  -0.272
  320    HA   ALA  40           HA       ALA  40 -15.109   0.474   0.530
  321   1HB   ALA  40          1HB       ALA  40 -17.730   0.986   1.976
  322   2HB   ALA  40          2HB       ALA  40 -16.747   2.184   1.134
  323   3HB   ALA  40          3HB       ALA  40 -16.145   1.429   2.610
  324    H    LYS  41           H        LYS  41 -17.863  -1.593   1.383
  325    HA   LYS  41           HA       LYS  41 -16.194  -3.073   3.334
  326   1HB   LYS  41          2HB       LYS  41 -18.322  -4.038   4.034
  327   2HB   LYS  41          1HB       LYS  41 -18.476  -2.290   3.915
  328   1HG   LYS  41          2HG       LYS  41 -19.382  -2.680   1.552
  329   2HG   LYS  41          1HG       LYS  41 -19.485  -4.383   1.981
  330   1HD   LYS  41          2HD       LYS  41 -21.638  -3.368   2.425
  331   2HD   LYS  41          1HD       LYS  41 -20.873  -3.730   3.971
  332   1HE   LYS  41          2HE       LYS  41 -19.970  -1.139   3.345
  333   2HE   LYS  41          1HE       LYS  41 -21.688  -1.145   2.902
  334   1HZ   LYS  41          1HZ       LYS  41 -22.206  -2.145   5.039
  335   2HZ   LYS  41          2HZ       LYS  41 -21.400  -0.665   5.260
  336   3HZ   LYS  41          3HZ       LYS  41 -20.566  -2.131   5.473
  337    H    LYS  42           H        LYS  42 -17.150  -3.367   0.025
  338    HA   LYS  42           HA       LYS  42 -17.082  -6.313  -0.011
  339   1HB   LYS  42          2HB       LYS  42 -18.549  -4.893  -1.465
  340   2HB   LYS  42          1HB       LYS  42 -17.105  -4.258  -2.249
  341   1HG   LYS  42          2HG       LYS  42 -18.149  -6.095  -3.554
  342   2HG   LYS  42          1HG       LYS  42 -16.517  -6.506  -3.038
  343   1HD   LYS  42          2HD       LYS  42 -17.235  -8.174  -1.653
  344   2HD   LYS  42          1HD       LYS  42 -18.651  -7.261  -1.132
  345   1HE   LYS  42          2HE       LYS  42 -19.985  -8.178  -2.746
  346   2HE   LYS  42          1HE       LYS  42 -18.699  -8.132  -3.968
  347   1HZ   LYS  42          1HZ       LYS  42 -18.851 -10.018  -1.675
  348   2HZ   LYS  42          2HZ       LYS  42 -17.590  -9.950  -2.812
  349   3HZ   LYS  42          3HZ       LYS  42 -19.151 -10.412  -3.298
  350    H    LEU  43           H        LEU  43 -14.673  -4.108   0.407
  351    HA   LEU  43           HA       LEU  43 -12.736  -5.419  -1.445
  352   1HB   LEU  43          2HB       LEU  43 -12.920  -2.845   0.098
  353   2HB   LEU  43          1HB       LEU  43 -11.333  -3.440  -0.392
  354    HG   LEU  43           HG       LEU  43 -13.635  -3.165  -2.333
  355   1HD1  LEU  43          1HD1      LEU  43 -11.392  -1.193  -2.273
  356   2HD1  LEU  43          2HD1      LEU  43 -12.675  -1.008  -1.076
  357   3HD1  LEU  43          3HD1      LEU  43 -13.063  -0.978  -2.796
  358   1HD2  LEU  43          1HD2      LEU  43 -10.629  -3.463  -2.611
  359   2HD2  LEU  43          2HD2      LEU  43 -11.713  -3.125  -3.960
  360   3HD2  LEU  43          3HD2      LEU  43 -11.856  -4.643  -3.073
  361    H    GLY  44           H        GLY  44 -13.482  -4.844   1.959
  362   1HA   GLY  44          2HA       GLY  44 -11.058  -5.937   3.056
  363   2HA   GLY  44          1HA       GLY  44 -12.586  -5.769   3.925
  364    H    GLU  45           H        GLU  45 -14.060  -7.363   1.909
  365    HA   GLU  45           HA       GLU  45 -14.016  -9.925   3.069
  366   1HB   GLU  45          2HB       GLU  45 -15.561  -8.674   1.301
  367   2HB   GLU  45          1HB       GLU  45 -14.595  -9.592   0.145
  368   1HG   GLU  45          2HG       GLU  45 -15.908 -10.901   2.531
  369   2HG   GLU  45          1HG       GLU  45 -16.738 -10.723   0.985
  370    H    MET  46           H        MET  46 -12.202  -8.765   0.221
  371    HA   MET  46           HA       MET  46 -10.870 -11.374  -0.139
  372   1HB   MET  46          2HB       MET  46 -10.621  -8.652  -1.462
  373   2HB   MET  46          1HB       MET  46  -9.782 -10.102  -2.012
  374   1HG   MET  46          2HG       MET  46 -12.761 -10.169  -1.638
  375   2HG   MET  46          1HG       MET  46 -12.082  -9.460  -3.102
  376   1HE   MET  46          1HE       MET  46 -13.607 -11.821  -4.360
  377   2HE   MET  46          2HE       MET  46 -14.020 -11.673  -2.654
  378   3HE   MET  46          3HE       MET  46 -13.548 -13.240  -3.306
  379    H    TRP  47           H        TRP  47 -10.003  -8.055   0.853
  380    HA   TRP  47           HA       TRP  47  -7.215  -8.375   1.206
  381   1HB   TRP  47          2HB       TRP  47  -8.548  -6.263   1.327
  382   2HB   TRP  47          1HB       TRP  47  -9.162  -6.776   2.899
  383    HD1  TRP  47           HD       TRP  47  -7.803  -6.019   4.905
  384    HE1  TRP  47           1HE      TRP  47  -5.399  -5.174   5.296
  385    HE3  TRP  47           3HE      TRP  47  -5.901  -6.563   0.198
  386    HZ2  TRP  47           2HZ      TRP  47  -2.988  -4.778   3.808
  387    HZ3  TRP  47           3HZ      TRP  47  -3.550  -5.944  -0.288
  388    HH2  TRP  47           HH       TRP  47  -2.093  -5.054   1.509
  389    H    SER  48           H        SER  48  -9.855  -9.614   3.157
  390    HA   SER  48           HA       SER  48  -8.154 -10.180   5.494
  391   1HB   SER  48          2HB       SER  48 -10.595  -9.535   5.545
  392   2HB   SER  48          1HB       SER  48 -10.965 -11.085   4.795
  393    HG   SER  48           HG       SER  48 -10.255 -12.124   6.589
  394    H    GLU  49           H        GLU  49  -9.579 -11.923   2.752
  395    HA   GLU  49           HA       GLU  49  -8.964 -14.594   3.594
  396   1HB   GLU  49          2HB       GLU  49  -9.320 -13.233   0.910
  397   2HB   GLU  49          1HB       GLU  49  -9.105 -14.977   1.061
  398   1HG   GLU  49          2HG       GLU  49 -11.080 -15.126   2.501
  399   2HG   GLU  49          1HG       GLU  49 -11.281 -13.375   2.438
  400    H    GLN  50           H        GLN  50  -7.069 -12.108   1.942
  401    HA   GLN  50           HA       GLN  50  -4.855 -13.729   1.103
  402   1HB   GLN  50          2HB       GLN  50  -5.071 -10.814   1.924
  403   2HB   GLN  50          1HB       GLN  50  -3.694 -11.508   1.068
  404   1HG   GLN  50          2HG       GLN  50  -6.525 -11.705   0.021
  405   2HG   GLN  50          1HG       GLN  50  -5.448 -10.372  -0.398
  406   1HE2  GLN  50          1HE2      GLN  50  -6.531 -13.132  -1.729
  407   2HE2  GLN  50          2HE2      GLN  50  -5.148 -13.646  -2.568
  408    H    SER  51           H        SER  51  -2.827 -14.080   2.139
  409    HA   SER  51           HA       SER  51  -2.933 -13.981   5.124
  410   1HB   SER  51          2HB       SER  51  -1.290 -15.783   4.958
  411   2HB   SER  51          1HB       SER  51  -2.629 -16.143   3.871
  412    HG   SER  51           HG       SER  51  -0.008 -15.342   3.314
  413    H    ALA  52           H        ALA  52  -0.019 -14.279   5.331
  414    HA   ALA  52           HA       ALA  52   0.730 -11.443   5.151
  415   1HB   ALA  52          1HB       ALA  52   1.316 -12.765   7.103
  416   2HB   ALA  52          2HB       ALA  52   2.809 -12.361   6.255
  417   3HB   ALA  52          3HB       ALA  52   2.113 -13.973   6.096
  418    H    LYS  53           H        LYS  53   0.337 -12.109   2.566
  419    HA   LYS  53           HA       LYS  53   3.105 -12.440   1.467
  420   1HB   LYS  53          2HB       LYS  53   1.116 -14.328   1.372
  421   2HB   LYS  53          1HB       LYS  53   0.836 -13.459  -0.137
  422   1HG   LYS  53          2HG       LYS  53   3.249 -13.744  -0.707
  423   2HG   LYS  53          1HG       LYS  53   3.448 -14.713   0.754
  424   1HD   LYS  53          2HD       LYS  53   1.389 -16.048  -0.260
  425   2HD   LYS  53          1HD       LYS  53   1.992 -15.375  -1.775
  426   1HE   LYS  53          2HE       LYS  53   4.291 -16.266  -1.138
  427   2HE   LYS  53          1HE       LYS  53   3.489 -17.148   0.178
  428   1HZ   LYS  53          1HZ       LYS  53   2.798 -17.304  -2.709
  429   2HZ   LYS  53          2HZ       LYS  53   1.954 -18.087  -1.460
  430   3HZ   LYS  53          3HZ       LYS  53   3.563 -18.516  -1.802
  431    H    ASP  54           H        ASP  54  -0.248 -11.502   0.611
  432    HA   ASP  54           HA       ASP  54   0.492  -9.834  -1.620
  433   1HB   ASP  54          2HB       ASP  54  -1.753 -10.924  -0.988
  434   2HB   ASP  54          1HB       ASP  54  -1.970  -9.563   0.114
  435    H    LYS  55           H        LYS  55   0.307  -9.252   1.843
  436    HA   LYS  55           HA       LYS  55   0.331  -6.329   1.583
  437   1HB   LYS  55          2HB       LYS  55  -0.509  -8.057   3.471
  438   2HB   LYS  55          1HB       LYS  55   1.100  -7.718   4.102
  439   1HG   LYS  55          2HG       LYS  55   0.468  -5.219   3.672
  440   2HG   LYS  55          1HG       LYS  55  -1.191  -5.821   3.654
  441   1HD   LYS  55          2HD       LYS  55   0.658  -6.604   5.892
  442   2HD   LYS  55          1HD       LYS  55  -0.143  -5.033   5.925
  443   1HE   LYS  55          2HE       LYS  55  -2.330  -6.058   5.855
  444   2HE   LYS  55          1HE       LYS  55  -1.625  -7.657   5.545
  445   1HZ   LYS  55          1HZ       LYS  55  -1.140  -5.984   7.956
  446   2HZ   LYS  55          2HZ       LYS  55  -0.438  -7.500   7.647
  447   3HZ   LYS  55          3HZ       LYS  55  -2.113  -7.372   7.902
  448    H    GLN  56           H        GLN  56   2.694  -8.893   2.285
  449    HA   GLN  56           HA       GLN  56   4.917  -7.563   3.220
  450   1HB   GLN  56          2HB       GLN  56   4.366  -9.864   1.458
  451   2HB   GLN  56          1HB       GLN  56   6.008  -9.235   1.340
  452   1HG   GLN  56          2HG       GLN  56   5.958  -9.261   3.943
  453   2HG   GLN  56          1HG       GLN  56   4.589 -10.356   3.748
  454   1HE2  GLN  56          1HE2      GLN  56   5.155 -12.133   1.887
  455   2HE2  GLN  56          2HE2      GLN  56   6.666 -12.878   2.091
  456    HA   PRO  57           HA       PRO  57   6.313  -6.031  -1.064
  457   1HB   PRO  57          2HB       PRO  57   4.681  -6.316  -3.223
  458   2HB   PRO  57          1HB       PRO  57   5.826  -7.571  -2.708
  459   1HG   PRO  57          2HG       PRO  57   2.898  -7.408  -2.321
  460   2HG   PRO  57          1HG       PRO  57   3.918  -8.823  -2.604
  461   1HD   PRO  57          2HD       PRO  57   2.900  -8.065  -0.151
  462   2HD   PRO  57          1HD       PRO  57   4.312  -9.116  -0.387
  463    H    TYR  58           H        TYR  58   2.776  -5.741  -0.712
  464    HA   TYR  58           HA       TYR  58   2.728  -3.009  -1.786
  465   1HB   TYR  58          2HB       TYR  58   0.973  -5.162  -1.458
  466   2HB   TYR  58          1HB       TYR  58   0.361  -3.945  -0.341
  467    HD1  TYR  58           1HD      TYR  58  -0.524  -1.826  -1.146
  468    HD2  TYR  58           2HD      TYR  58   1.126  -4.706  -3.872
  469    HE1  TYR  58           1HE      TYR  58  -1.507  -0.584  -3.056
  470    HE2  TYR  58           2HE      TYR  58   0.145  -3.464  -5.780
  471    HH   TYR  58           HH       TYR  58  -0.596  -1.101  -6.247
  472    H    GLU  59           H        GLU  59   3.363  -4.309   1.329
  473    HA   GLU  59           HA       GLU  59   2.197  -2.067   2.834
  474   1HB   GLU  59          2HB       GLU  59   3.033  -3.310   4.755
  475   2HB   GLU  59          1HB       GLU  59   2.308  -4.443   3.624
  476   1HG   GLU  59          2HG       GLU  59   4.265  -5.585   3.900
  477   2HG   GLU  59          1HG       GLU  59   4.878  -4.426   2.721
  478    H    GLN  60           H        GLN  60   5.328  -2.922   1.497
  479    HA   GLN  60           HA       GLN  60   6.871  -1.022   3.070
  480   1HB   GLN  60          2HB       GLN  60   8.633  -1.609   1.415
  481   2HB   GLN  60          1HB       GLN  60   7.833  -3.041   2.061
  482   1HG   GLN  60          2HG       GLN  60   6.616  -3.404   0.081
  483   2HG   GLN  60          1HG       GLN  60   6.858  -1.752  -0.485
  484   1HE2  GLN  60          1HE2      GLN  60   8.569  -4.850   0.052
  485   2HE2  GLN  60          2HE2      GLN  60   9.825  -4.530  -1.044
  486    H    LYS  61           H        LYS  61   4.848  -0.748   0.263
  487    HA   LYS  61           HA       LYS  61   6.086   1.496  -1.039
  488   1HB   LYS  61          2HB       LYS  61   4.386   0.054  -2.069
  489   2HB   LYS  61          1HB       LYS  61   3.205   0.539  -0.853
  490   1HG   LYS  61          2HG       LYS  61   3.075   2.751  -1.701
  491   2HG   LYS  61          1HG       LYS  61   4.546   2.559  -2.656
  492   1HD   LYS  61          2HD       LYS  61   3.227   0.646  -3.850
  493   2HD   LYS  61          1HD       LYS  61   1.802   1.435  -3.169
  494   1HE   LYS  61          2HE       LYS  61   2.324   3.514  -4.301
  495   2HE   LYS  61          1HE       LYS  61   3.890   2.878  -4.839
  496   1HZ   LYS  61          1HZ       LYS  61   2.133   2.660  -6.543
  497   2HZ   LYS  61          2HZ       LYS  61   1.265   1.650  -5.490
  498   3HZ   LYS  61          3HZ       LYS  61   2.784   1.166  -6.076
  499    H    ALA  62           H        ALA  62   3.560   1.310   1.490
  500    HA   ALA  62           HA       ALA  62   3.293   4.207   1.691
  501   1HB   ALA  62          1HB       ALA  62   2.305   1.752   3.094
  502   2HB   ALA  62          2HB       ALA  62   1.383   3.050   2.336
  503   3HB   ALA  62          3HB       ALA  62   2.136   3.307   3.911
  504    H    ALA  63           H        ALA  63   5.587   1.926   2.869
  505    HA   ALA  63           HA       ALA  63   6.268   3.006   5.414
  506   1HB   ALA  63          1HB       ALA  63   8.376   1.807   5.033
  507   2HB   ALA  63          2HB       ALA  63   8.047   1.742   3.301
  508   3HB   ALA  63          3HB       ALA  63   7.030   0.842   4.427
  509    H    LYS  64           H        LYS  64   7.405   3.894   2.115
  510    HA   LYS  64           HA       LYS  64   9.333   5.848   3.036
  511   1HB   LYS  64          2HB       LYS  64   7.825   5.516   0.418
  512   2HB   LYS  64          1HB       LYS  64   9.258   6.521   0.639
  513   1HG   LYS  64          2HG       LYS  64   9.247   3.575   1.312
  514   2HG   LYS  64          1HG       LYS  64   9.657   4.167  -0.299
  515   1HD   LYS  64          2HD       LYS  64  11.338   5.716   0.895
  516   2HD   LYS  64          1HD       LYS  64  11.097   4.682   2.304
  517   1HE   LYS  64          2HE       LYS  64  11.759   3.467  -0.381
  518   2HE   LYS  64          1HE       LYS  64  13.042   4.067   0.689
  519   1HZ   LYS  64          1HZ       LYS  64  10.904   2.148   1.454
  520   2HZ   LYS  64          2HZ       LYS  64  12.111   2.746   2.490
  521   3HZ   LYS  64          3HZ       LYS  64  12.530   1.751   1.177
  522    H    LEU  65           H        LEU  65   6.211   6.361   1.356
  523    HA   LEU  65           HA       LEU  65   5.866   9.089   1.678
  524   1HB   LEU  65          2HB       LEU  65   4.056   6.710   1.614
  525   2HB   LEU  65          1HB       LEU  65   3.341   8.290   1.941
  526    HG   LEU  65           HG       LEU  65   4.844   9.013  -0.129
  527   1HD1  LEU  65          1HD1      LEU  65   5.958   6.968  -0.592
  528   2HD1  LEU  65          2HD1      LEU  65   4.688   7.068  -1.812
  529   3HD1  LEU  65          3HD1      LEU  65   4.478   6.027  -0.404
  530   1HD2  LEU  65          1HD2      LEU  65   2.892   8.850  -1.490
  531   2HD2  LEU  65          2HD2      LEU  65   2.291   8.987   0.163
  532   3HD2  LEU  65          3HD2      LEU  65   2.325   7.415  -0.634
  533    H    LYS  66           H        LYS  66   5.658   6.699   4.251
  534    HA   LYS  66           HA       LYS  66   4.183   8.332   6.146
  535   1HB   LYS  66          2HB       LYS  66   4.477   5.830   6.171
  536   2HB   LYS  66          1HB       LYS  66   6.161   6.079   6.623
  537   1HG   LYS  66          2HG       LYS  66   5.041   5.754   8.687
  538   2HG   LYS  66          1HG       LYS  66   5.241   7.501   8.566
  539   1HD   LYS  66          2HD       LYS  66   2.990   7.866   8.106
  540   2HD   LYS  66          1HD       LYS  66   2.757   6.245   7.448
  541   1HE   LYS  66          2HE       LYS  66   3.262   5.433   9.880
  542   2HE   LYS  66          1HE       LYS  66   2.875   7.104  10.337
  543   1HZ   LYS  66          1HZ       LYS  66   0.801   6.939   9.136
  544   2HZ   LYS  66          2HZ       LYS  66   0.886   5.690  10.284
  545   3HZ   LYS  66          3HZ       LYS  66   1.167   5.360   8.642
  546    H    GLU  67           H        GLU  67   7.643   7.631   5.621
  547    HA   GLU  67           HA       GLU  67   8.647   9.291   7.748
  548   1HB   GLU  67          2HB       GLU  67   9.724   7.412   6.269
  549   2HB   GLU  67          1HB       GLU  67  10.099   8.736   5.165
  550   1HG   GLU  67          2HG       GLU  67  11.198   9.941   7.066
  551   2HG   GLU  67          1HG       GLU  67  10.934   8.515   8.070
  552    H    LYS  68           H        LYS  68   8.605   9.883   4.205
  553    HA   LYS  68           HA       LYS  68   9.441  12.584   4.231
  554   1HB   LYS  68          2HB       LYS  68   7.728  10.868   2.447
  555   2HB   LYS  68          1HB       LYS  68   7.942  12.578   2.067
  556   1HG   LYS  68          2HG       LYS  68  10.432  12.223   2.222
  557   2HG   LYS  68          1HG       LYS  68  10.119  10.494   2.373
  558   1HD   LYS  68          2HD       LYS  68   9.273  10.324   0.192
  559   2HD   LYS  68          1HD       LYS  68   8.933  12.052   0.088
  560   1HE   LYS  68          2HE       LYS  68  11.475  12.411   0.254
  561   2HE   LYS  68          1HE       LYS  68  11.623  10.672  -0.071
  562   1HZ   LYS  68          1HZ       LYS  68  10.090  12.605  -1.730
  563   2HZ   LYS  68          2HZ       LYS  68  10.254  10.942  -2.034
  564   3HZ   LYS  68          3HZ       LYS  68  11.608  11.965  -2.132
  565    H    TYR  69           H        TYR  69   6.322  11.208   5.056
  566    HA   TYR  69           HA       TYR  69   4.829  13.715   4.880
  567   1HB   TYR  69          2HB       TYR  69   3.766  11.529   4.582
  568   2HB   TYR  69          1HB       TYR  69   4.311  11.012   6.175
  569    HD1  TYR  69           1HD      TYR  69   1.867  13.014   4.318
  570    HD2  TYR  69           2HD      TYR  69   3.324  11.989   8.225
  571    HE1  TYR  69           1HE      TYR  69  -0.181  13.975   5.335
  572    HE2  TYR  69           2HE      TYR  69   1.277  12.947   9.241
  573    HH   TYR  69           HH       TYR  69  -1.484  13.641   7.506
  574    H    GLU  70           H        GLU  70   5.511  11.618   7.695
  575    HA   GLU  70           HA       GLU  70   4.992  13.564   9.697
  576   1HB   GLU  70          2HB       GLU  70   6.777  11.117   9.609
  577   2HB   GLU  70          1HB       GLU  70   6.388  11.978  11.099
  578   1HG   GLU  70          2HG       GLU  70   3.942  11.654  10.540
  579   2HG   GLU  70          1HG       GLU  70   4.453  10.593   9.227
  580    H    LYS  71           H        LYS  71   7.837  13.149   7.692
  581    HA   LYS  71           HA       LYS  71   9.515  14.816   9.484
  582   1HB   LYS  71          2HB       LYS  71   9.964  13.348   6.873
  583   2HB   LYS  71          1HB       LYS  71  11.219  14.282   7.687
  584   1HG   LYS  71          2HG       LYS  71  10.452  12.819   9.778
  585   2HG   LYS  71          1HG       LYS  71   9.945  11.706   8.507
  586   1HD   LYS  71          2HD       LYS  71  12.205  11.752   7.541
  587   2HD   LYS  71          1HD       LYS  71  12.721  12.898   8.778
  588   1HE   LYS  71          2HE       LYS  71  11.785  11.015  10.423
  589   2HE   LYS  71          1HE       LYS  71  12.154   9.971   9.035
  590   1HZ   LYS  71          1HZ       LYS  71  13.994  11.887  10.365
  591   2HZ   LYS  71          2HZ       LYS  71  14.348  11.083   8.910
  592   3HZ   LYS  71          3HZ       LYS  71  14.131  10.197  10.344
  593    H    ASP  72           H        ASP  72   7.528  15.223   6.645
  594    HA   ASP  72           HA       ASP  72   8.823  17.866   6.082
  595   1HB   ASP  72          2HB       ASP  72   8.603  16.013   4.333
  596   2HB   ASP  72          1HB       ASP  72   6.866  16.319   4.372
  597    H    ILE  73           H        ILE  73   5.801  16.318   7.012
  598    HA   ILE  73           HA       ILE  73   4.046  18.541   6.498
  599    HB   ILE  73           HB       ILE  73   3.421  16.139   6.864
  600   1HG1  ILE  73          2HG1      ILE  73   1.502  16.741   8.537
  601   2HG1  ILE  73          1HG1      ILE  73   2.176  18.370   8.452
  602   1HG2  ILE  73          1HG2      ILE  73   3.494  15.121   8.981
  603   2HG2  ILE  73          2HG2      ILE  73   3.664  16.663   9.820
  604   3HG2  ILE  73          3HG2      ILE  73   5.023  15.999   8.915
  605   1HD1  ILE  73          1HD1      ILE  73   2.007  18.255   5.955
  606   2HD1  ILE  73          2HD1      ILE  73   0.440  18.157   6.758
  607   3HD1  ILE  73          3HD1      ILE  73   1.197  16.698   6.120
  608    H    ALA  74           H        ALA  74   6.085  17.672   9.258
  609    HA   ALA  74           HA       ALA  74   5.041  19.473  11.207
  610   1HB   ALA  74          1HB       ALA  74   6.696  17.611  11.534
  611   2HB   ALA  74          2HB       ALA  74   7.211  19.126  12.277
  612   3HB   ALA  74          3HB       ALA  74   7.916  18.610  10.744
  613    H    ALA  75           H        ALA  75   7.840  19.934   9.016
  614    HA   ALA  75           HA       ALA  75   8.146  22.749   9.655
  615   1HB   ALA  75          1HB       ALA  75   9.783  22.646   7.818
  616   2HB   ALA  75          2HB       ALA  75   9.117  21.098   7.297
  617   3HB   ALA  75          3HB       ALA  75   9.941  21.225   8.851
  618    H    TYR  76           H        TYR  76   6.091  20.986   7.467
  619    HA   TYR  76           HA       TYR  76   5.672  23.063   5.495
  620   1HB   TYR  76          2HB       TYR  76   5.211  20.622   5.220
  621   2HB   TYR  76          1HB       TYR  76   3.893  20.765   6.383
  622    HD1  TYR  76           1HD      TYR  76   1.776  21.691   5.759
  623    HD2  TYR  76           2HD      TYR  76   5.108  21.892   3.055
  624    HE1  TYR  76           1HE      TYR  76   0.259  22.441   3.945
  625    HE2  TYR  76           2HE      TYR  76   3.591  22.642   1.242
  626    HH   TYR  76           HH       TYR  76   1.096  23.953   1.359
  627    H    ARG  77           H        ARG  77   3.993  22.136   8.499
  628    HA   ARG  77           HA       ARG  77   1.884  24.125   8.202
  629   1HB   ARG  77          2HB       ARG  77   2.878  22.242  10.334
  630   2HB   ARG  77          1HB       ARG  77   1.638  23.436  10.720
  631   1HG   ARG  77          2HG       ARG  77   0.130  22.543   9.103
  632   2HG   ARG  77          1HG       ARG  77   1.397  21.569   8.355
  633   1HD   ARG  77          2HD       ARG  77   1.304  19.943   9.995
  634   2HD   ARG  77          1HD       ARG  77   0.843  21.101  11.258
  635    HE   ARG  77           HE       ARG  77  -1.020  20.062   9.161
  636   1HH1  ARG  77          1HH2      ARG  77  -1.315  19.232  12.028
  637   2HH1  ARG  77          2HH2      ARG  77  -2.528  20.328  12.598
  638   1HH2  ARG  77          1HH1      ARG  77  -2.170  22.525   9.940
  639   2HH2  ARG  77          2HH1      ARG  77  -3.012  22.193  11.417
  640    H    ALA  78           H        ALA  78   3.938  23.974  11.111
  641    HA   ALA  78           HA       ALA  78   5.276  26.509  10.671
  642   1HB   ALA  78          1HB       ALA  78   3.171  27.538  10.934
  643   2HB   ALA  78          2HB       ALA  78   3.833  27.598  12.567
  644   3HB   ALA  78          3HB       ALA  78   2.647  26.365  12.141
  645    H    LYS  79           H        LYS  79   5.975  23.866  11.646
  646    HA   LYS  79           HA       LYS  79   6.294  24.074  14.567
  647   1HB   LYS  79          2HB       LYS  79   7.026  22.096  12.423
  648   2HB   LYS  79          1HB       LYS  79   7.518  21.867  14.097
  649   1HG   LYS  79          2HG       LYS  79   4.648  22.302  13.226
  650   2HG   LYS  79          1HG       LYS  79   5.359  20.712  13.506
  651   1HD   LYS  79          2HD       LYS  79   6.062  21.782  15.820
  652   2HD   LYS  79          1HD       LYS  79   4.721  22.877  15.479
  653   1HE   LYS  79          2HE       LYS  79   3.414  20.639  14.948
  654   2HE   LYS  79          1HE       LYS  79   4.659  19.917  15.987
  655   1HZ   LYS  79          1HZ       LYS  79   2.710  20.765  17.238
  656   2HZ   LYS  79          2HZ       LYS  79   3.084  22.333  16.701
  657   3HZ   LYS  79          3HZ       LYS  79   4.172  21.491  17.699
  Start of MODEL   13
    1   1H    MET   1          1HT       MET   1 -11.931  19.181  -0.983
    2   2H    MET   1          2HT       MET   1 -13.553  19.206  -1.487
    3   3H    MET   1          3HT       MET   1 -12.785  17.726  -1.159
    4    HA   MET   1           HA       MET   1 -13.443  19.841   0.832
    5   1HB   MET   1          2HB       MET   1 -15.187  18.262  -0.320
    6   2HB   MET   1          1HB       MET   1 -14.456  17.008   0.682
    7   1HG   MET   1          2HG       MET   1 -15.087  18.068   2.688
    8   2HG   MET   1          1HG       MET   1 -15.344  19.621   1.891
    9   1HE   MET   1          1HE       MET   1 -17.868  18.900   3.715
   10   2HE   MET   1          2HE       MET   1 -18.892  19.568   2.446
   11   3HE   MET   1          3HE       MET   1 -17.281  20.230   2.707
   12    H    LYS   2           H        LYS   2 -12.564  16.370   0.588
   13    HA   LYS   2           HA       LYS   2 -10.798  16.730   2.981
   14   1HB   LYS   2          2HB       LYS   2 -12.482  14.523   1.833
   15   2HB   LYS   2          1HB       LYS   2 -11.111  14.104   2.860
   16   1HG   LYS   2          2HG       LYS   2 -12.742  14.335   4.482
   17   2HG   LYS   2          1HG       LYS   2 -12.156  15.998   4.415
   18   1HD   LYS   2          2HD       LYS   2 -14.420  16.389   4.169
   19   2HD   LYS   2          1HD       LYS   2 -13.981  16.174   2.474
   20   1HE   LYS   2          2HE       LYS   2 -14.430  13.573   3.291
   21   2HE   LYS   2          1HE       LYS   2 -15.651  14.486   4.201
   22   1HZ   LYS   2          1HZ       LYS   2 -15.139  14.644   1.278
   23   2HZ   LYS   2          2HZ       LYS   2 -16.207  15.659   2.124
   24   3HZ   LYS   2          3HZ       LYS   2 -16.514  13.991   2.024
   25    H    LYS   3           H        LYS   3  -8.962  17.467   1.693
   26    HA   LYS   3           HA       LYS   3  -7.288  15.329   0.698
   27   1HB   LYS   3          2HB       LYS   3  -9.159  16.169  -1.079
   28   2HB   LYS   3          1HB       LYS   3  -7.865  17.311  -1.441
   29   1HG   LYS   3          2HG       LYS   3  -6.386  15.090  -1.351
   30   2HG   LYS   3          1HG       LYS   3  -7.926  14.345  -1.783
   31   1HD   LYS   3          2HD       LYS   3  -8.065  15.497  -3.814
   32   2HD   LYS   3          1HD       LYS   3  -6.974  16.775  -3.276
   33   1HE   LYS   3          2HE       LYS   3  -5.148  14.954  -3.186
   34   2HE   LYS   3          1HE       LYS   3  -6.270  13.962  -4.140
   35   1HZ   LYS   3          1HZ       LYS   3  -4.804  15.325  -5.550
   36   2HZ   LYS   3          2HZ       LYS   3  -5.436  16.730  -4.835
   37   3HZ   LYS   3          3HZ       LYS   3  -6.440  15.718  -5.759
   38    H    LYS   4           H        LYS   4  -5.707  17.063  -1.037
   39    HA   LYS   4           HA       LYS   4  -5.024  19.487   0.396
   40   1HB   LYS   4          2HB       LYS   4  -4.138  17.136   1.505
   41   2HB   LYS   4          1HB       LYS   4  -2.776  17.570   0.474
   42   1HG   LYS   4          2HG       LYS   4  -2.803  19.859   1.500
   43   2HG   LYS   4          1HG       LYS   4  -4.047  19.295   2.618
   44   1HD   LYS   4          2HD       LYS   4  -2.287  17.344   3.039
   45   2HD   LYS   4          1HD       LYS   4  -1.148  18.570   2.484
   46   1HE   LYS   4          2HE       LYS   4  -1.192  19.097   4.747
   47   2HE   LYS   4          1HE       LYS   4  -2.566  20.083   4.206
   48   1HZ   LYS   4          1HZ       LYS   4  -2.753  17.265   5.129
   49   2HZ   LYS   4          2HZ       LYS   4  -4.052  18.260   4.668
   50   3HZ   LYS   4          3HZ       LYS   4  -3.160  18.616   6.070
   51    H    ASP   5           H        ASP   5  -2.192  19.324  -0.452
   52    HA   ASP   5           HA       ASP   5  -2.607  19.620  -3.403
   53   1HB   ASP   5          2HB       ASP   5  -1.200  21.072  -1.264
   54   2HB   ASP   5          1HB       ASP   5  -0.225  20.850  -2.717
   55    HA   PRO   6           HA       PRO   6   0.339  16.439  -4.199
   56   1HB   PRO   6          2HB       PRO   6   1.894  17.454  -6.208
   57   2HB   PRO   6          1HB       PRO   6   0.218  16.928  -6.458
   58   1HG   PRO   6          2HG       PRO   6   1.309  19.676  -6.116
   59   2HG   PRO   6          1HG       PRO   6   0.020  19.096  -7.183
   60   1HD   PRO   6          2HD       PRO   6  -0.444  20.409  -4.840
   61   2HD   PRO   6          1HD       PRO   6  -1.576  19.238  -5.550
   62    H    ASN   7           H        ASN   7   1.654  19.666  -3.659
   63    HA   ASN   7           HA       ASN   7   4.378  18.759  -3.110
   64   1HB   ASN   7          2HB       ASN   7   2.859  21.342  -2.643
   65   2HB   ASN   7          1HB       ASN   7   4.594  21.162  -2.381
   66   1HD2  ASN   7          1HD2      ASN   7   5.974  21.088  -4.242
   67   2HD2  ASN   7          2HD2      ASN   7   5.397  21.304  -5.823
   68    H    ALA   8           H        ALA   8   1.445  18.886  -1.266
   69    HA   ALA   8           HA       ALA   8   2.931  18.889   1.319
   70   1HB   ALA   8          1HB       ALA   8   0.723  19.328   2.264
   71   2HB   ALA   8          2HB       ALA   8  -0.041  18.986   0.711
   72   3HB   ALA   8          3HB       ALA   8   0.978  20.413   0.897
   73    HA   PRO   9           HA       PRO   9   2.399  14.437   1.187
   74   1HB   PRO   9          2HB       PRO   9   3.287  13.870   3.711
   75   2HB   PRO   9          1HB       PRO   9   4.379  14.242   2.361
   76   1HG   PRO   9          2HG       PRO   9   3.437  16.004   4.572
   77   2HG   PRO   9          1HG       PRO   9   5.043  15.879   3.835
   78   1HD   PRO   9          2HD       PRO   9   3.287  17.867   3.243
   79   2HD   PRO   9          1HD       PRO   9   4.488  17.256   2.084
   80    H    LYS  10           H        LYS  10   0.159  14.119   1.197
   81    HA   LYS  10           HA       LYS  10  -1.679  14.911   3.210
   82   1HB   LYS  10          2HB       LYS  10  -3.140  13.216   2.113
   83   2HB   LYS  10          1HB       LYS  10  -2.291  14.215   0.937
   84   1HG   LYS  10          2HG       LYS  10  -0.644  11.940   1.601
   85   2HG   LYS  10          1HG       LYS  10  -2.254  11.377   1.157
   86   1HD   LYS  10          2HD       LYS  10  -2.154  12.600  -0.946
   87   2HD   LYS  10          1HD       LYS  10  -0.606  13.315  -0.493
   88   1HE   LYS  10          2HE       LYS  10   0.265  10.894  -0.289
   89   2HE   LYS  10          1HE       LYS  10  -1.198  10.430  -1.182
   90   1HZ   LYS  10          1HZ       LYS  10  -0.641  11.959  -2.919
   91   2HZ   LYS  10          2HZ       LYS  10   0.709  10.962  -2.648
   92   3HZ   LYS  10          3HZ       LYS  10   0.689  12.553  -2.052
   93    H    ARG  11           H        ARG  11  -3.063  12.643   4.028
   94    HA   ARG  11           HA       ARG  11  -1.745  11.825   6.395
   95   1HB   ARG  11          2HB       ARG  11  -4.069  10.934   4.740
   96   2HB   ARG  11          1HB       ARG  11  -3.517   9.845   6.014
   97   1HG   ARG  11          2HG       ARG  11  -5.174  11.271   7.006
   98   2HG   ARG  11          1HG       ARG  11  -3.609  11.835   7.595
   99   1HD   ARG  11          2HD       ARG  11  -3.590  13.673   6.027
  100   2HD   ARG  11          1HD       ARG  11  -5.020  13.037   5.188
  101    HE   ARG  11           HE       ARG  11  -5.334  13.566   8.079
  102   1HH1  ARG  11          1HH2      ARG  11  -7.681  13.324   6.289
  103   2HH1  ARG  11          2HH2      ARG  11  -8.115  14.977   6.001
  104   1HH2  ARG  11          1HH1      ARG  11  -5.069  16.240   7.077
  105   2HH2  ARG  11          2HH1      ARG  11  -6.636  16.627   6.448
  106    HA   PRO  12           HA       PRO  12   0.982   8.692   4.870
  107   1HB   PRO  12          2HB       PRO  12   1.495   7.349   7.192
  108   2HB   PRO  12          1HB       PRO  12   2.175   8.947   6.830
  109   1HG   PRO  12          2HG       PRO  12  -0.046   8.206   8.633
  110   2HG   PRO  12          1HG       PRO  12   1.117   9.532   8.749
  111   1HD   PRO  12          2HD       PRO  12  -1.522   9.755   7.891
  112   2HD   PRO  12          1HD       PRO  12  -0.240  10.955   7.632
  113    HA   PRO  13           HA       PRO  13  -2.020   5.366   4.489
  114   1HB   PRO  13          2HB       PRO  13  -0.821   4.043   2.424
  115   2HB   PRO  13          1HB       PRO  13  -1.766   5.527   2.201
  116   1HG   PRO  13          2HG       PRO  13   1.152   5.126   2.139
  117   2HG   PRO  13          1HG       PRO  13   0.158   6.341   1.326
  118   1HD   PRO  13          2HD       PRO  13   1.702   6.713   3.646
  119   2HD   PRO  13          1HD       PRO  13   0.495   7.835   2.987
  120    H    SER  14           H        SER  14  -1.721   2.813   4.281
  121    HA   SER  14           HA       SER  14   0.764   1.761   5.457
  122   1HB   SER  14          2HB       SER  14  -0.575   2.831   7.316
  123   2HB   SER  14          1HB       SER  14  -1.847   1.656   6.994
  124    HG   SER  14           HG       SER  14   0.706   1.311   8.085
  125    H    ALA  15           H        ALA  15   0.005   0.840   3.094
  126    HA   ALA  15           HA       ALA  15  -0.525  -1.103   1.926
  127   1HB   ALA  15          1HB       ALA  15   0.015  -1.900   4.602
  128   2HB   ALA  15          2HB       ALA  15   0.058  -2.909   3.158
  129   3HB   ALA  15          3HB       ALA  15  -1.427  -2.783   4.099
  130    H    PHE  16           H        PHE  16  -2.825  -1.484   4.641
  131    HA   PHE  16           HA       PHE  16  -5.106  -2.082   3.122
  132   1HB   PHE  16          2HB       PHE  16  -4.655  -2.084   5.643
  133   2HB   PHE  16          1HB       PHE  16  -5.087  -0.376   5.612
  134    HD1  PHE  16           1HD      PHE  16  -7.281   0.072   6.229
  135    HD2  PHE  16           2HD      PHE  16  -6.414  -3.545   4.081
  136    HE1  PHE  16           1HE      PHE  16  -9.686  -0.529   6.269
  137    HE2  PHE  16           2HE      PHE  16  -8.819  -4.147   4.122
  138    HZ   PHE  16           HZ       PHE  16 -10.456  -2.638   5.216
  139    H    PHE  17           H        PHE  17  -3.926   1.131   4.133
  140    HA   PHE  17           HA       PHE  17  -6.095   2.675   3.074
  141   1HB   PHE  17          2HB       PHE  17  -4.089   3.256   4.651
  142   2HB   PHE  17          1HB       PHE  17  -3.215   3.576   3.152
  143    HD1  PHE  17           1HD      PHE  17  -4.221   5.225   1.481
  144    HD2  PHE  17           2HD      PHE  17  -5.625   4.834   5.521
  145    HE1  PHE  17           1HE      PHE  17  -5.308   7.448   1.319
  146    HE2  PHE  17           2HE      PHE  17  -6.712   7.056   5.360
  147    HZ   PHE  17           HZ       PHE  17  -6.553   8.364   3.258
  148    H    LEU  18           H        LEU  18  -3.231   1.231   1.596
  149    HA   LEU  18           HA       LEU  18  -3.472   2.709  -0.912
  150   1HB   LEU  18          2HB       LEU  18  -1.946   0.165  -0.265
  151   2HB   LEU  18          1HB       LEU  18  -1.609   1.297  -1.569
  152    HG   LEU  18           HG       LEU  18  -1.374   1.878   1.404
  153   1HD1  LEU  18          1HD1      LEU  18   0.504   0.591   0.835
  154   2HD1  LEU  18          2HD1      LEU  18   1.077   2.241   0.596
  155   3HD1  LEU  18          3HD1      LEU  18   0.593   1.266  -0.792
  156   1HD2  LEU  18          1HD2      LEU  18  -0.273   4.007   0.501
  157   2HD2  LEU  18          2HD2      LEU  18  -2.024   3.917   0.315
  158   3HD2  LEU  18          3HD2      LEU  18  -0.973   3.594  -1.064
  159    H    PHE  19           H        PHE  19  -4.292  -0.575   0.260
  160    HA   PHE  19           HA       PHE  19  -5.128  -1.658  -2.258
  161   1HB   PHE  19          2HB       PHE  19  -4.635  -2.772   0.024
  162   2HB   PHE  19          1HB       PHE  19  -6.287  -2.329   0.454
  163    HD1  PHE  19           1HD      PHE  19  -4.215  -4.285  -1.924
  164    HD2  PHE  19           2HD      PHE  19  -8.174  -3.484  -0.465
  165    HE1  PHE  19           1HE      PHE  19  -5.068  -6.260  -3.157
  166    HE2  PHE  19           2HE      PHE  19  -9.029  -5.459  -1.698
  167    HZ   PHE  19           HZ       PHE  19  -7.475  -6.847  -3.046
  168    H    CYS  20           H        CYS  20  -7.013  -0.165   0.396
  169    HA   CYS  20           HA       CYS  20  -9.571  -0.280  -0.877
  170   1HB   CYS  20          2HB       CYS  20  -8.882   0.267   1.551
  171   2HB   CYS  20          1HB       CYS  20  -8.602   1.910   0.973
  172    HG   CYS  20           HG       CYS  20 -11.388   0.508   1.041
  173    H    SER  21           H        SER  21  -6.855   1.911  -1.250
  174    HA   SER  21           HA       SER  21  -8.467   3.736  -2.976
  175   1HB   SER  21          2HB       SER  21  -7.023   4.526  -1.044
  176   2HB   SER  21          1HB       SER  21  -5.621   4.002  -1.971
  177    HG   SER  21           HG       SER  21  -7.471   6.058  -2.499
  178    H    GLU  22           H        GLU  22  -7.246   0.934  -3.703
  179    HA   GLU  22           HA       GLU  22  -6.041   1.858  -6.266
  180   1HB   GLU  22          2HB       GLU  22  -4.887  -0.048  -4.252
  181   2HB   GLU  22          1HB       GLU  22  -4.341  -0.017  -5.923
  182   1HG   GLU  22          2HG       GLU  22  -4.362   2.400  -4.091
  183   2HG   GLU  22          1HG       GLU  22  -2.941   1.407  -4.413
  184    H    TYR  23           H        TYR  23  -8.121  -0.365  -4.613
  185    HA   TYR  23           HA       TYR  23  -8.295  -2.075  -7.068
  186   1HB   TYR  23          2HB       TYR  23  -8.526  -2.596  -4.111
  187   2HB   TYR  23          1HB       TYR  23  -9.270  -3.699  -5.269
  188    HD1  TYR  23           1HD      TYR  23  -7.937  -5.131  -6.681
  189    HD2  TYR  23           2HD      TYR  23  -6.070  -2.232  -4.119
  190    HE1  TYR  23           1HE      TYR  23  -5.733  -6.190  -7.090
  191    HE2  TYR  23           2HE      TYR  23  -3.865  -3.292  -4.527
  192    HH   TYR  23           HH       TYR  23  -3.245  -5.347  -7.003
  193    H    ARG  24           H        ARG  24  -9.799   0.494  -6.253
  194    HA   ARG  24           HA       ARG  24 -12.537  -0.434  -5.800
  195   1HB   ARG  24          2HB       ARG  24 -11.343   2.289  -6.370
  196   2HB   ARG  24          1HB       ARG  24 -13.006   1.983  -5.870
  197   1HG   ARG  24          2HG       ARG  24 -12.119   0.861  -3.808
  198   2HG   ARG  24          1HG       ARG  24 -10.499   1.381  -4.279
  199   1HD   ARG  24          2HD       ARG  24 -10.894   3.564  -3.698
  200   2HD   ARG  24          1HD       ARG  24 -12.576   3.510  -4.266
  201    HE   ARG  24           HE       ARG  24 -11.759   2.100  -1.756
  202   1HH1  ARG  24          1HH1      ARG  24 -12.646   5.112  -1.942
  203   2HH1  ARG  24          2HH1      ARG  24 -14.279   4.960  -1.386
  204   1HH2  ARG  24          1HH2      ARG  24 -14.358   1.511  -1.732
  205   2HH2  ARG  24          2HH2      ARG  24 -15.248   2.921  -1.268
  206    HA   PRO  25           HA       PRO  25 -13.054   1.293 -10.275
  207   1HB   PRO  25          2HB       PRO  25 -10.840   1.317 -11.884
  208   2HB   PRO  25          1HB       PRO  25 -11.386   2.720 -10.945
  209   1HG   PRO  25          2HG       PRO  25  -9.220   0.771 -10.350
  210   2HG   PRO  25          1HG       PRO  25  -9.263   2.524 -10.103
  211   1HD   PRO  25          2HD       PRO  25  -9.624   0.743  -8.115
  212   2HD   PRO  25          1HD       PRO  25 -10.381   2.347  -8.103
  213    H    LYS  26           H        LYS  26 -11.068  -1.351  -9.286
  214    HA   LYS  26           HA       LYS  26 -11.349  -2.998 -11.677
  215   1HB   LYS  26          2HB       LYS  26  -9.626  -3.163  -9.789
  216   2HB   LYS  26          1HB       LYS  26 -10.926  -3.821  -8.789
  217   1HG   LYS  26          2HG       LYS  26 -10.389  -5.029 -11.487
  218   2HG   LYS  26          1HG       LYS  26  -9.353  -5.460 -10.125
  219   1HD   LYS  26          2HD       LYS  26 -11.564  -5.892  -8.845
  220   2HD   LYS  26          1HD       LYS  26 -12.319  -5.900 -10.439
  221   1HE   LYS  26          2HE       LYS  26 -11.782  -8.168 -10.181
  222   2HE   LYS  26          1HE       LYS  26 -10.328  -7.574 -11.007
  223   1HZ   LYS  26          1HZ       LYS  26  -9.321  -7.152  -8.845
  224   2HZ   LYS  26          2HZ       LYS  26  -9.734  -8.793  -9.003
  225   3HZ   LYS  26          3HZ       LYS  26 -10.699  -7.758  -8.063
  226    H    ILE  27           H        ILE  27 -12.841  -2.999  -8.441
  227    HA   ILE  27           HA       ILE  27 -14.817  -4.968  -8.735
  228    HB   ILE  27           HB       ILE  27 -15.100  -2.269  -7.363
  229   1HG1  ILE  27          2HG1      ILE  27 -13.023  -3.178  -6.561
  230   2HG1  ILE  27          1HG1      ILE  27 -14.223  -3.489  -5.324
  231   1HG2  ILE  27          1HG2      ILE  27 -17.174  -3.465  -7.368
  232   2HG2  ILE  27          2HG2      ILE  27 -16.482  -3.622  -5.754
  233   3HG2  ILE  27          3HG2      ILE  27 -16.378  -4.965  -6.892
  234   1HD1  ILE  27          1HD1      ILE  27 -13.010  -5.515  -5.549
  235   2HD1  ILE  27          2HD1      ILE  27 -13.058  -5.437  -7.310
  236   3HD1  ILE  27          3HD1      ILE  27 -14.530  -5.785  -6.401
  237    H    LYS  28           H        LYS  28 -14.787  -1.650  -9.885
  238    HA   LYS  28           HA       LYS  28 -17.602  -1.510 -10.538
  239   1HB   LYS  28          2HB       LYS  28 -15.572   0.180 -11.970
  240   2HB   LYS  28          1HB       LYS  28 -17.134   0.634 -11.307
  241   1HG   LYS  28          2HG       LYS  28 -14.527   0.260  -9.862
  242   2HG   LYS  28          1HG       LYS  28 -15.493   1.714  -9.963
  243   1HD   LYS  28          2HD       LYS  28 -16.200  -0.814  -8.431
  244   2HD   LYS  28          1HD       LYS  28 -15.719   0.732  -7.744
  245   1HE   LYS  28          2HE       LYS  28 -18.134   0.501  -9.562
  246   2HE   LYS  28          1HE       LYS  28 -18.251   0.268  -7.806
  247   1HZ   LYS  28          1HZ       LYS  28 -18.578   2.584  -8.299
  248   2HZ   LYS  28          2HZ       LYS  28 -17.147   2.644  -9.212
  249   3HZ   LYS  28          3HZ       LYS  28 -17.077   2.404  -7.531
  250    H    SER  29           H        SER  29 -14.696  -2.357 -12.386
  251    HA   SER  29           HA       SER  29 -15.809  -2.430 -14.999
  252   1HB   SER  29          2HB       SER  29 -13.403  -2.627 -14.348
  253   2HB   SER  29          1HB       SER  29 -13.725  -4.252 -13.751
  254    HG   SER  29           HG       SER  29 -13.958  -4.956 -15.760
  255    H    GLU  30           H        GLU  30 -16.191  -4.650 -12.309
  256    HA   GLU  30           HA       GLU  30 -17.704  -6.530 -14.096
  257   1HB   GLU  30          2HB       GLU  30 -15.673  -6.825 -12.002
  258   2HB   GLU  30          1HB       GLU  30 -17.080  -7.845 -11.716
  259   1HG   GLU  30          2HG       GLU  30 -15.801  -7.726 -14.442
  260   2HG   GLU  30          1HG       GLU  30 -15.161  -8.794 -13.191
  261    H    HIS  31           H        HIS  31 -17.867  -4.494 -11.260
  262    HA   HIS  31           HA       HIS  31 -20.648  -5.499 -10.739
  263   1HB   HIS  31          2HB       HIS  31 -18.747  -4.195  -8.765
  264   2HB   HIS  31          1HB       HIS  31 -20.273  -4.988  -8.403
  265    HD1  HIS  31           1HD      HIS  31 -16.683  -5.668  -9.070
  266    HD2  HIS  31           2HD      HIS  31 -20.187  -7.878  -8.608
  267    HE1  HIS  31           1HE      HIS  31 -15.973  -8.077  -8.766
  268    HA   PRO  32           HA       PRO  32 -21.077  -1.136 -12.009
  269   1HB   PRO  32          2HB       PRO  32 -23.589  -1.398 -13.062
  270   2HB   PRO  32          1HB       PRO  32 -22.113  -1.775 -13.968
  271   1HG   PRO  32          2HG       PRO  32 -24.050  -3.603 -12.671
  272   2HG   PRO  32          1HG       PRO  32 -23.097  -3.822 -14.146
  273   1HD   PRO  32          2HD       PRO  32 -22.500  -4.947 -11.700
  274   2HD   PRO  32          1HD       PRO  32 -21.341  -4.706 -13.022
  275    H    GLY  33           H        GLY  33 -23.493  -3.197 -10.411
  276   1HA   GLY  33          2HA       GLY  33 -24.885  -0.964  -9.168
  277   2HA   GLY  33          1HA       GLY  33 -25.123  -2.669  -8.799
  278    H    LEU  34           H        LEU  34 -21.917  -2.493  -8.505
  279    HA   LEU  34           HA       LEU  34 -21.880  -2.529  -5.636
  280   1HB   LEU  34          2HB       LEU  34 -20.112  -2.922  -7.877
  281   2HB   LEU  34          1HB       LEU  34 -19.301  -1.898  -6.699
  282    HG   LEU  34           HG       LEU  34 -18.904  -4.341  -6.327
  283   1HD1  LEU  34          1HD1      LEU  34 -18.514  -3.321  -4.335
  284   2HD1  LEU  34          2HD1      LEU  34 -19.991  -4.150  -3.846
  285   3HD1  LEU  34          3HD1      LEU  34 -20.052  -2.461  -4.352
  286   1HD2  LEU  34          1HD2      LEU  34 -20.591  -5.856  -6.050
  287   2HD2  LEU  34          2HD2      LEU  34 -21.558  -4.660  -6.913
  288   3HD2  LEU  34          3HD2      LEU  34 -21.598  -4.720  -5.151
  289    H    SER  35           H        SER  35 -23.013  -0.460  -5.148
  290    HA   SER  35           HA       SER  35 -21.780   2.099  -5.831
  291   1HB   SER  35          2HB       SER  35 -24.175   1.889  -5.446
  292   2HB   SER  35          1HB       SER  35 -23.898   1.212  -3.843
  293    HG   SER  35           HG       SER  35 -23.608   3.841  -4.775
  294    H    ILE  36           H        ILE  36 -21.200   3.622  -3.882
  295    HA   ILE  36           HA       ILE  36 -18.876   2.760  -2.562
  296    HB   ILE  36           HB       ILE  36 -20.945   4.829  -1.751
  297   1HG1  ILE  36          2HG1      ILE  36 -19.988   5.172  -4.004
  298   2HG1  ILE  36          1HG1      ILE  36 -19.409   6.406  -2.887
  299   1HG2  ILE  36          1HG2      ILE  36 -18.925   5.886  -0.593
  300   2HG2  ILE  36          2HG2      ILE  36 -18.116   4.331  -0.794
  301   3HG2  ILE  36          3HG2      ILE  36 -19.583   4.442   0.178
  302   1HD1  ILE  36          1HD1      ILE  36 -17.499   5.653  -4.136
  303   2HD1  ILE  36          2HD1      ILE  36 -17.911   3.960  -3.863
  304   3HD1  ILE  36          3HD1      ILE  36 -17.353   4.958  -2.521
  305    H    GLY  37           H        GLY  37 -22.237   2.341  -1.586
  306   1HA   GLY  37          2HA       GLY  37 -21.837   1.663   1.151
  307   2HA   GLY  37          1HA       GLY  37 -23.186   1.095   0.163
  308    H    ASP  38           H        ASP  38 -22.682  -0.758  -1.322
  309    HA   ASP  38           HA       ASP  38 -21.465  -2.936   0.109
  310   1HB   ASP  38          2HB       ASP  38 -23.319  -2.943  -1.647
  311   2HB   ASP  38          1HB       ASP  38 -22.049  -2.762  -2.858
  312    H    THR  39           H        THR  39 -20.088  -0.537  -2.031
  313    HA   THR  39           HA       THR  39 -17.823  -2.133  -2.919
  314    HB   THR  39           HB       THR  39 -18.391   0.845  -2.794
  315    HG1  THR  39           1HG      THR  39 -19.655  -0.509  -4.190
  316   1HG2  THR  39          1HG2      THR  39 -16.524   0.938  -4.543
  317   2HG2  THR  39          2HG2      THR  39 -16.074  -0.680  -4.006
  318   3HG2  THR  39          3HG2      THR  39 -16.006   0.674  -2.878
  319    H    ALA  40           H        ALA  40 -18.273   0.326  -0.365
  320    HA   ALA  40           HA       ALA  40 -15.654   0.477   0.658
  321   1HB   ALA  40          1HB       ALA  40 -16.846   1.043   2.802
  322   2HB   ALA  40          2HB       ALA  40 -18.347   0.494   2.057
  323   3HB   ALA  40          3HB       ALA  40 -17.495   1.891   1.399
  324    H    LYS  41           H        LYS  41 -18.213  -1.862   1.490
  325    HA   LYS  41           HA       LYS  41 -16.477  -3.365   3.292
  326   1HB   LYS  41          2HB       LYS  41 -18.465  -4.787   3.515
  327   2HB   LYS  41          1HB       LYS  41 -18.917  -3.091   3.611
  328   1HG   LYS  41          2HG       LYS  41 -19.339  -3.312   1.053
  329   2HG   LYS  41          1HG       LYS  41 -19.359  -5.043   1.368
  330   1HD   LYS  41          2HD       LYS  41 -21.632  -4.273   1.553
  331   2HD   LYS  41          1HD       LYS  41 -21.057  -4.589   3.189
  332   1HE   LYS  41          2HE       LYS  41 -20.344  -1.896   2.652
  333   2HE   LYS  41          1HE       LYS  41 -22.012  -2.093   2.075
  334   1HZ   LYS  41          1HZ       LYS  41 -21.974  -1.610   4.448
  335   2HZ   LYS  41          2HZ       LYS  41 -20.985  -2.964   4.726
  336   3HZ   LYS  41          3HZ       LYS  41 -22.576  -3.171   4.165
  337    H    LYS  42           H        LYS  42 -16.873  -3.341  -0.137
  338    HA   LYS  42           HA       LYS  42 -16.306  -6.190  -0.564
  339   1HB   LYS  42          2HB       LYS  42 -17.454  -4.188  -2.004
  340   2HB   LYS  42          1HB       LYS  42 -15.838  -4.170  -2.690
  341   1HG   LYS  42          2HG       LYS  42 -17.010  -5.714  -4.035
  342   2HG   LYS  42          1HG       LYS  42 -16.124  -6.735  -2.900
  343   1HD   LYS  42          2HD       LYS  42 -18.805  -5.846  -1.997
  344   2HD   LYS  42          1HD       LYS  42 -18.795  -6.967  -3.358
  345   1HE   LYS  42          2HE       LYS  42 -16.885  -7.943  -1.476
  346   2HE   LYS  42          1HE       LYS  42 -18.363  -7.558  -0.578
  347   1HZ   LYS  42          1HZ       LYS  42 -18.470  -9.783  -1.557
  348   2HZ   LYS  42          2HZ       LYS  42 -18.248  -9.121  -3.106
  349   3HZ   LYS  42          3HZ       LYS  42 -19.652  -8.763  -2.218
  350    H    LEU  43           H        LEU  43 -14.384  -3.737   0.592
  351    HA   LEU  43           HA       LEU  43 -11.958  -4.600  -0.920
  352   1HB   LEU  43          2HB       LEU  43 -12.872  -2.160   0.565
  353   2HB   LEU  43          1HB       LEU  43 -11.138  -2.468   0.445
  354    HG   LEU  43           HG       LEU  43 -12.866  -2.630  -2.011
  355   1HD1  LEU  43          1HD1      LEU  43 -12.980  -0.358  -2.297
  356   2HD1  LEU  43          2HD1      LEU  43 -11.473  -0.067  -1.428
  357   3HD1  LEU  43          3HD1      LEU  43 -12.962  -0.372  -0.534
  358   1HD2  LEU  43          1HD2      LEU  43 -10.604  -1.694  -2.915
  359   2HD2  LEU  43          2HD2      LEU  43 -10.675  -3.385  -2.421
  360   3HD2  LEU  43          3HD2      LEU  43  -9.960  -2.182  -1.348
  361    H    GLY  44           H        GLY  44 -13.440  -4.415   2.275
  362   1HA   GLY  44          2HA       GLY  44 -11.030  -5.272   3.693
  363   2HA   GLY  44          1HA       GLY  44 -12.647  -5.127   4.388
  364    H    GLU  45           H        GLU  45 -14.066  -6.763   2.597
  365    HA   GLU  45           HA       GLU  45 -13.783  -9.357   3.688
  366   1HB   GLU  45          2HB       GLU  45 -15.096  -8.076   1.340
  367   2HB   GLU  45          1HB       GLU  45 -14.970  -9.835   1.307
  368   1HG   GLU  45          2HG       GLU  45 -16.006  -8.373   3.737
  369   2HG   GLU  45          1HG       GLU  45 -17.074  -8.833   2.410
  370    H    MET  46           H        MET  46 -12.469  -8.047   0.638
  371    HA   MET  46           HA       MET  46 -11.171 -10.532  -0.153
  372   1HB   MET  46          2HB       MET  46 -10.972  -7.622  -0.977
  373   2HB   MET  46          1HB       MET  46 -10.039  -8.895  -1.766
  374   1HG   MET  46          2HG       MET  46 -13.041  -9.065  -1.462
  375   2HG   MET  46          1HG       MET  46 -12.283  -8.285  -2.851
  376   1HE   MET  46          1HE       MET  46 -13.997  -9.951  -3.763
  377   2HE   MET  46          2HE       MET  46 -14.196 -11.289  -2.635
  378   3HE   MET  46          3HE       MET  46 -13.585 -11.598  -4.258
  379    H    TRP  47           H        TRP  47  -9.981  -7.416   1.141
  380    HA   TRP  47           HA       TRP  47  -7.244  -7.936   1.380
  381   1HB   TRP  47          2HB       TRP  47  -8.486  -5.822   1.891
  382   2HB   TRP  47          1HB       TRP  47  -9.028  -6.547   3.405
  383    HD1  TRP  47           HD       TRP  47  -7.547  -6.068   5.404
  384    HE1  TRP  47           1HE      TRP  47  -5.086  -5.390   5.765
  385    HE3  TRP  47           3HE      TRP  47  -5.896  -6.141   0.573
  386    HZ2  TRP  47           2HZ      TRP  47  -2.728  -4.937   4.209
  387    HZ3  TRP  47           3HZ      TRP  47  -3.540  -5.583   0.040
  388    HH2  TRP  47           HH       TRP  47  -1.956  -4.982   1.851
  389    H    SER  48           H        SER  48  -9.698  -8.606   3.923
  390    HA   SER  48           HA       SER  48  -7.952  -9.887   5.772
  391   1HB   SER  48          2HB       SER  48 -10.240  -9.083   6.246
  392   2HB   SER  48          1HB       SER  48 -10.901 -10.329   5.190
  393    HG   SER  48           HG       SER  48  -9.986 -10.490   7.764
  394    H    GLU  49           H        GLU  49  -9.734 -11.171   2.983
  395    HA   GLU  49           HA       GLU  49  -9.314 -13.964   3.481
  396   1HB   GLU  49          2HB       GLU  49 -10.114 -12.166   1.274
  397   2HB   GLU  49          1HB       GLU  49  -9.411 -13.696   0.747
  398   1HG   GLU  49          2HG       GLU  49 -11.545 -13.629   2.876
  399   2HG   GLU  49          1HG       GLU  49 -11.973 -13.616   1.165
  400    H    GLN  50           H        GLN  50  -7.377 -11.538   1.737
  401    HA   GLN  50           HA       GLN  50  -5.385 -13.228   0.624
  402   1HB   GLN  50          2HB       GLN  50  -5.329 -10.396   1.701
  403   2HB   GLN  50          1HB       GLN  50  -4.007 -11.102   0.771
  404   1HG   GLN  50          2HG       GLN  50  -6.863 -11.004  -0.227
  405   2HG   GLN  50          1HG       GLN  50  -5.669  -9.760  -0.596
  406   1HE2  GLN  50          1HE2      GLN  50  -7.038 -12.012  -2.286
  407   2HE2  GLN  50          2HE2      GLN  50  -5.730 -12.738  -3.088
  408    H    SER  51           H        SER  51  -3.248 -13.740   1.398
  409    HA   SER  51           HA       SER  51  -3.115 -14.116   4.352
  410   1HB   SER  51          2HB       SER  51  -2.897 -16.018   2.710
  411   2HB   SER  51          1HB       SER  51  -1.429 -15.262   2.100
  412    HG   SER  51           HG       SER  51  -1.294 -16.936   3.861
  413    H    ALA  52           H        ALA  52  -0.162 -14.414   4.222
  414    HA   ALA  52           HA       ALA  52   0.542 -11.550   4.441
  415   1HB   ALA  52          1HB       ALA  52   1.183 -13.073   6.215
  416   2HB   ALA  52          2HB       ALA  52   2.653 -12.580   5.376
  417   3HB   ALA  52          3HB       ALA  52   1.948 -14.165   5.061
  418    H    LYS  53           H        LYS  53   0.052 -12.222   1.758
  419    HA   LYS  53           HA       LYS  53   2.821 -12.246   0.597
  420   1HB   LYS  53          2HB       LYS  53   0.253 -13.618  -0.198
  421   2HB   LYS  53          1HB       LYS  53   1.531 -13.338  -1.382
  422   1HG   LYS  53          2HG       LYS  53   3.118 -14.602  -0.067
  423   2HG   LYS  53          1HG       LYS  53   1.971 -14.741   1.267
  424   1HD   LYS  53          2HD       LYS  53   0.623 -16.270   0.124
  425   2HD   LYS  53          1HD       LYS  53   1.216 -15.761  -1.458
  426   1HE   LYS  53          2HE       LYS  53   3.272 -16.923  -1.189
  427   2HE   LYS  53          1HE       LYS  53   3.034 -17.098   0.562
  428   1HZ   LYS  53          1HZ       LYS  53   2.435 -19.137  -0.614
  429   2HZ   LYS  53          2HZ       LYS  53   1.297 -18.281  -1.541
  430   3HZ   LYS  53          3HZ       LYS  53   1.080 -18.447   0.136
  431    H    ASP  54           H        ASP  54  -0.582 -11.356  -0.089
  432    HA   ASP  54           HA       ASP  54  -0.005  -9.484  -2.187
  433   1HB   ASP  54          2HB       ASP  54  -2.201 -10.626  -1.493
  434   2HB   ASP  54          1HB       ASP  54  -2.329  -9.380  -0.252
  435    H    LYS  55           H        LYS  55   0.122  -9.211   1.307
  436    HA   LYS  55           HA       LYS  55   0.101  -6.278   1.333
  437   1HB   LYS  55          2HB       LYS  55  -0.777  -7.697   3.168
  438   2HB   LYS  55          1HB       LYS  55   0.841  -8.346   3.432
  439   1HG   LYS  55          2HG       LYS  55   1.661  -6.306   4.252
  440   2HG   LYS  55          1HG       LYS  55   0.370  -5.374   3.494
  441   1HD   LYS  55          2HD       LYS  55  -1.247  -6.142   5.080
  442   2HD   LYS  55          1HD       LYS  55  -0.152  -7.381   5.695
  443   1HE   LYS  55          2HE       LYS  55   1.297  -5.721   6.688
  444   2HE   LYS  55          1HE       LYS  55   0.417  -4.403   5.889
  445   1HZ   LYS  55          1HZ       LYS  55  -0.764  -6.339   7.814
  446   2HZ   LYS  55          2HZ       LYS  55  -1.586  -5.061   7.053
  447   3HZ   LYS  55          3HZ       LYS  55  -0.353  -4.733   8.175
  448    H    GLN  56           H        GLN  56   2.531  -8.864   1.464
  449    HA   GLN  56           HA       GLN  56   4.848  -7.613   2.299
  450   1HB   GLN  56          2HB       GLN  56   4.099  -9.722   0.377
  451   2HB   GLN  56          1HB       GLN  56   5.713  -9.055   0.126
  452   1HG   GLN  56          2HG       GLN  56   4.747  -9.924   2.856
  453   2HG   GLN  56          1HG       GLN  56   5.535 -11.043   1.743
  454   1HE2  GLN  56          1HE2      GLN  56   6.156  -8.788   4.202
  455   2HE2  GLN  56          2HE2      GLN  56   7.807  -8.536   3.896
  456    HA   PRO  57           HA       PRO  57   5.694  -5.574  -1.911
  457   1HB   PRO  57          2HB       PRO  57   3.826  -5.672  -3.887
  458   2HB   PRO  57          1HB       PRO  57   5.046  -6.941  -3.657
  459   1HG   PRO  57          2HG       PRO  57   2.182  -6.917  -2.924
  460   2HG   PRO  57          1HG       PRO  57   3.192  -8.260  -3.474
  461   1HD   PRO  57          2HD       PRO  57   2.444  -7.792  -0.851
  462   2HD   PRO  57          1HD       PRO  57   3.829  -8.782  -1.359
  463    H    TYR  58           H        TYR  58   2.220  -5.487  -1.124
  464    HA   TYR  58           HA       TYR  58   1.970  -2.646  -1.809
  465   1HB   TYR  58          2HB       TYR  58   0.317  -4.914  -1.509
  466   2HB   TYR  58          1HB       TYR  58  -0.207  -3.790  -0.258
  467    HD1  TYR  58           1HD      TYR  58   0.258  -4.270  -3.893
  468    HD2  TYR  58           2HD      TYR  58  -1.227  -1.663  -0.820
  469    HE1  TYR  58           1HE      TYR  58  -0.915  -2.917  -5.608
  470    HE2  TYR  58           2HE      TYR  58  -2.401  -0.310  -2.535
  471    HH   TYR  58           HH       TYR  58  -2.804  -1.376  -5.755
  472    H    GLU  59           H        GLU  59   3.414  -4.043   0.835
  473    HA   GLU  59           HA       GLU  59   2.234  -2.148   2.812
  474   1HB   GLU  59          2HB       GLU  59   3.419  -3.550   4.446
  475   2HB   GLU  59          1HB       GLU  59   2.477  -4.561   3.360
  476   1HG   GLU  59          2HG       GLU  59   4.365  -5.713   2.907
  477   2HG   GLU  59          1HG       GLU  59   4.980  -4.272   2.098
  478    H    GLN  60           H        GLN  60   5.121  -2.688   0.906
  479    HA   GLN  60           HA       GLN  60   6.864  -0.960   2.478
  480   1HB   GLN  60          2HB       GLN  60   8.350  -1.252   0.503
  481   2HB   GLN  60          1HB       GLN  60   7.701  -2.788   1.067
  482   1HG   GLN  60          2HG       GLN  60   6.199  -2.955  -0.729
  483   2HG   GLN  60          1HG       GLN  60   6.293  -1.234  -1.097
  484   1HE2  GLN  60          1HE2      GLN  60   7.412  -0.931  -3.023
  485   2HE2  GLN  60          2HE2      GLN  60   8.781  -1.812  -3.507
  486    H    LYS  61           H        LYS  61   4.505  -0.491  -0.058
  487    HA   LYS  61           HA       LYS  61   5.395   1.998  -1.148
  488   1HB   LYS  61          2HB       LYS  61   3.634   0.557  -2.107
  489   2HB   LYS  61          1HB       LYS  61   2.609   0.861  -0.705
  490   1HG   LYS  61          2HG       LYS  61   2.285   3.131  -1.287
  491   2HG   LYS  61          1HG       LYS  61   3.650   3.127  -2.406
  492   1HD   LYS  61          2HD       LYS  61   2.342   1.368  -3.743
  493   2HD   LYS  61          1HD       LYS  61   0.950   1.816  -2.756
  494   1HE   LYS  61          2HE       LYS  61   2.579   3.887  -4.255
  495   2HE   LYS  61          1HE       LYS  61   1.172   3.079  -4.976
  496   1HZ   LYS  61          1HZ       LYS  61   0.524   5.112  -3.810
  497   2HZ   LYS  61          2HZ       LYS  61   1.185   4.506  -2.368
  498   3HZ   LYS  61          3HZ       LYS  61  -0.156   3.742  -3.077
  499    H    ALA  62           H        ALA  62   3.381   1.250   1.698
  500    HA   ALA  62           HA       ALA  62   2.907   4.059   2.341
  501   1HB   ALA  62          1HB       ALA  62   2.434   1.376   3.628
  502   2HB   ALA  62          2HB       ALA  62   1.246   2.536   3.033
  503   3HB   ALA  62          3HB       ALA  62   2.129   2.863   4.524
  504    H    ALA  63           H        ALA  63   5.540   1.890   2.807
  505    HA   ALA  63           HA       ALA  63   6.530   3.098   5.293
  506   1HB   ALA  63          1HB       ALA  63   8.011   1.366   3.303
  507   2HB   ALA  63          2HB       ALA  63   6.823   0.694   4.420
  508   3HB   ALA  63          3HB       ALA  63   8.272   1.485   5.043
  509    H    LYS  64           H        LYS  64   6.342   4.268   2.172
  510    HA   LYS  64           HA       LYS  64   9.020   5.585   2.217
  511   1HB   LYS  64          2HB       LYS  64   6.874   5.009   0.173
  512   2HB   LYS  64          1HB       LYS  64   8.132   6.196  -0.153
  513   1HG   LYS  64          2HG       LYS  64   8.656   3.326   0.667
  514   2HG   LYS  64          1HG       LYS  64   8.707   3.911  -0.997
  515   1HD   LYS  64          2HD       LYS  64  10.359   5.711   0.031
  516   2HD   LYS  64          1HD       LYS  64  10.589   4.471   1.265
  517   1HE   LYS  64          2HE       LYS  64  10.739   3.732  -1.656
  518   2HE   LYS  64          1HE       LYS  64  12.152   4.412  -0.825
  519   1HZ   LYS  64          1HZ       LYS  64  11.880   2.746   0.914
  520   2HZ   LYS  64          2HZ       LYS  64  12.108   2.004  -0.598
  521   3HZ   LYS  64          3HZ       LYS  64  10.557   2.076   0.091
  522    H    LEU  65           H        LEU  65   5.553   6.155   2.330
  523    HA   LEU  65           HA       LEU  65   5.822   9.087   2.185
  524   1HB   LEU  65          2HB       LEU  65   3.629   7.041   2.406
  525   2HB   LEU  65          1HB       LEU  65   3.272   8.734   2.742
  526    HG   LEU  65           HG       LEU  65   4.450   9.224   0.491
  527   1HD1  LEU  65          1HD1      LEU  65   4.086   7.198  -1.082
  528   2HD1  LEU  65          2HD1      LEU  65   4.064   6.234   0.394
  529   3HD1  LEU  65          3HD1      LEU  65   5.498   7.170  -0.026
  530   1HD2  LEU  65          1HD2      LEU  65   2.377   9.080  -0.648
  531   2HD2  LEU  65          2HD2      LEU  65   1.923   9.203   1.052
  532   3HD2  LEU  65          3HD2      LEU  65   1.893   7.636   0.243
  533    H    LYS  66           H        LYS  66   6.435   6.867   4.601
  534    HA   LYS  66           HA       LYS  66   5.203   8.414   6.815
  535   1HB   LYS  66          2HB       LYS  66   5.189   5.897   6.664
  536   2HB   LYS  66          1HB       LYS  66   6.946   5.927   6.812
  537   1HG   LYS  66          2HG       LYS  66   6.495   5.742   9.042
  538   2HG   LYS  66          1HG       LYS  66   6.266   7.487   8.929
  539   1HD   LYS  66          2HD       LYS  66   3.976   7.338   9.066
  540   2HD   LYS  66          1HD       LYS  66   3.924   5.774   8.250
  541   1HE   LYS  66          2HE       LYS  66   5.210   5.007  10.484
  542   2HE   LYS  66          1HE       LYS  66   4.300   6.379  11.147
  543   1HZ   LYS  66          1HZ       LYS  66   2.880   4.487  11.235
  544   2HZ   LYS  66          2HZ       LYS  66   3.218   4.071   9.623
  545   3HZ   LYS  66          3HZ       LYS  66   2.318   5.468   9.971
  546    H    GLU  67           H        GLU  67   8.339   7.639   5.384
  547    HA   GLU  67           HA       GLU  67   9.876   9.047   7.457
  548   1HB   GLU  67          2HB       GLU  67  10.448   7.681   4.822
  549   2HB   GLU  67          1HB       GLU  67  11.711   8.539   5.705
  550   1HG   GLU  67          2HG       GLU  67  11.072   7.139   7.736
  551   2HG   GLU  67          1HG       GLU  67  10.095   6.159   6.642
  552    H    LYS  68           H        LYS  68   8.130   9.962   4.646
  553    HA   LYS  68           HA       LYS  68   9.770  12.426   4.246
  554   1HB   LYS  68          2HB       LYS  68   7.675  10.946   2.630
  555   2HB   LYS  68          1HB       LYS  68   8.276  12.538   2.168
  556   1HG   LYS  68          2HG       LYS  68  10.606  11.603   2.205
  557   2HG   LYS  68          1HG       LYS  68   9.910  10.006   2.486
  558   1HD   LYS  68          2HD       LYS  68   8.557  10.309   0.382
  559   2HD   LYS  68          1HD       LYS  68   9.472  11.786   0.074
  560   1HE   LYS  68          2HE       LYS  68  11.590  10.371   0.250
  561   2HE   LYS  68          1HE       LYS  68  10.529   8.949   0.200
  562   1HZ   LYS  68          1HZ       LYS  68  11.224   9.629  -2.033
  563   2HZ   LYS  68          2HZ       LYS  68  10.530  11.159  -1.788
  564   3HZ   LYS  68          3HZ       LYS  68   9.546   9.775  -1.835
  565    H    TYR  69           H        TYR  69   6.622  11.201   5.226
  566    HA   TYR  69           HA       TYR  69   5.261  13.778   5.235
  567   1HB   TYR  69          2HB       TYR  69   4.036  11.698   4.970
  568   2HB   TYR  69          1HB       TYR  69   4.728  11.045   6.451
  569    HD1  TYR  69           1HD      TYR  69   3.059  10.826   8.066
  570    HD2  TYR  69           2HD      TYR  69   3.152  14.355   5.624
  571    HE1  TYR  69           1HE      TYR  69   1.181  11.781   9.374
  572    HE2  TYR  69           2HE      TYR  69   1.273  15.310   6.929
  573    HH   TYR  69           HH       TYR  69   0.403  14.867   9.486
  574    H    GLU  70           H        GLU  70   6.443  11.612   7.843
  575    HA   GLU  70           HA       GLU  70   6.013  13.512   9.968
  576   1HB   GLU  70          2HB       GLU  70   7.689  11.015   9.630
  577   2HB   GLU  70          1HB       GLU  70   7.568  11.871  11.167
  578   1HG   GLU  70          2HG       GLU  70   5.046  11.161   9.711
  579   2HG   GLU  70          1HG       GLU  70   5.896   9.900  10.606
  580    H    LYS  71           H        LYS  71   8.504  13.312   7.571
  581    HA   LYS  71           HA       LYS  71  10.425  14.846   9.259
  582   1HB   LYS  71          2HB       LYS  71  10.602  13.477   6.556
  583   2HB   LYS  71          1HB       LYS  71  11.948  14.315   7.330
  584   1HG   LYS  71          2HG       LYS  71  11.368  12.768   9.376
  585   2HG   LYS  71          1HG       LYS  71  10.584  11.768   8.152
  586   1HD   LYS  71          2HD       LYS  71  12.690  11.714   6.854
  587   2HD   LYS  71          1HD       LYS  71  13.474  12.687   8.099
  588   1HE   LYS  71          2HE       LYS  71  12.679  10.805   9.737
  589   2HE   LYS  71          1HE       LYS  71  12.529   9.829   8.261
  590   1HZ   LYS  71          1HZ       LYS  71  14.939  11.366   9.082
  591   2HZ   LYS  71          2HZ       LYS  71  14.787  10.449   7.660
  592   3HZ   LYS  71          3HZ       LYS  71  14.770   9.681   9.176
  593    H    ASP  72           H        ASP  72   8.388  15.130   6.382
  594    HA   ASP  72           HA       ASP  72   9.491  17.798   5.719
  595   1HB   ASP  72          2HB       ASP  72   8.863  15.931   4.085
  596   2HB   ASP  72          1HB       ASP  72   7.181  16.306   4.459
  597    H    ILE  73           H        ILE  73   6.577  16.360   7.131
  598    HA   ILE  73           HA       ILE  73   4.918  18.702   6.989
  599    HB   ILE  73           HB       ILE  73   4.321  16.240   7.405
  600   1HG1  ILE  73          2HG1      ILE  73   2.498  17.010   9.151
  601   2HG1  ILE  73          1HG1      ILE  73   3.179  18.608   8.841
  602   1HG2  ILE  73          1HG2      ILE  73   4.753  16.951  10.309
  603   2HG2  ILE  73          2HG2      ILE  73   5.961  16.069   9.373
  604   3HG2  ILE  73          3HG2      ILE  73   4.357  15.377   9.619
  605   1HD1  ILE  73          1HD1      ILE  73   2.550  18.592   6.597
  606   2HD1  ILE  73          2HD1      ILE  73   1.211  17.712   7.333
  607   3HD1  ILE  73          3HD1      ILE  73   2.503  16.830   6.518
  608    H    ALA  74           H        ALA  74   7.644  17.983   8.993
  609    HA   ALA  74           HA       ALA  74   6.891  19.600  11.294
  610   1HB   ALA  74          1HB       ALA  74   9.253  19.246  11.891
  611   2HB   ALA  74          2HB       ALA  74   9.602  18.710  10.248
  612   3HB   ALA  74          3HB       ALA  74   8.560  17.740  11.288
  613    H    ALA  75           H        ALA  75   9.014  20.098   8.465
  614    HA   ALA  75           HA       ALA  75   9.454  22.931   9.117
  615   1HB   ALA  75          1HB       ALA  75  10.835  22.836   7.098
  616   2HB   ALA  75          2HB       ALA  75  10.105  21.296   6.642
  617   3HB   ALA  75          3HB       ALA  75  11.138  21.395   8.068
  618    H    TYR  76           H        TYR  76   7.336  21.006   7.083
  619    HA   TYR  76           HA       TYR  76   6.461  23.030   5.251
  620   1HB   TYR  76          2HB       TYR  76   6.116  20.550   5.090
  621   2HB   TYR  76          1HB       TYR  76   4.950  20.659   6.409
  622    HD1  TYR  76           1HD      TYR  76   5.662  21.668   2.912
  623    HD2  TYR  76           2HD      TYR  76   2.738  21.545   6.057
  624    HE1  TYR  76           1HE      TYR  76   3.893  22.291   1.291
  625    HE2  TYR  76           2HE      TYR  76   0.968  22.168   4.434
  626    HH   TYR  76           HH       TYR  76   1.530  23.495   1.524
  627    H    ARG  77           H        ARG  77   5.186  21.976   8.413
  628    HA   ARG  77           HA       ARG  77   2.920  23.715   8.521
  629   1HB   ARG  77          2HB       ARG  77   4.692  22.314  10.517
  630   2HB   ARG  77          1HB       ARG  77   3.394  23.370  11.077
  631   1HG   ARG  77          2HG       ARG  77   1.823  22.051   9.580
  632   2HG   ARG  77          1HG       ARG  77   3.140  20.902   9.343
  633   1HD   ARG  77          2HD       ARG  77   3.125  20.222  11.600
  634   2HD   ARG  77          1HD       ARG  77   2.278  21.690  12.128
  635    HE   ARG  77           HE       ARG  77   0.380  20.734  10.555
  636   1HH1  ARG  77          1HH2      ARG  77   0.872  19.795  13.521
  637   2HH1  ARG  77          2HH2      ARG  77   0.550  18.103  13.337
  638   1HH2  ARG  77          1HH1      ARG  77   0.696  18.182   9.874
  639   2HH2  ARG  77          2HH1      ARG  77   0.452  17.190  11.271
  640    H    ALA  78           H        ALA  78   5.820  24.151  10.563
  641    HA   ALA  78           HA       ALA  78   6.882  26.118  11.326
  642   1HB   ALA  78          1HB       ALA  78   7.303  25.984   8.785
  643   2HB   ALA  78          2HB       ALA  78   7.539  27.557   9.546
  644   3HB   ALA  78          3HB       ALA  78   6.064  27.230   8.635
  645    H    LYS  79           H        LYS  79   4.234  25.921  12.221
  646    HA   LYS  79           HA       LYS  79   2.829  28.455  11.690
  647   1HB   LYS  79          2HB       LYS  79   2.375  25.856  13.009
  648   2HB   LYS  79          1HB       LYS  79   1.556  27.215  13.775
  649   1HG   LYS  79          2HG       LYS  79   0.310  27.713  11.847
  650   2HG   LYS  79          1HG       LYS  79   1.426  26.848  10.789
  651   1HD   LYS  79          2HD       LYS  79   0.671  24.792  12.337
  652   2HD   LYS  79          1HD       LYS  79  -0.777  25.787  12.494
  653   1HE   LYS  79          2HE       LYS  79  -0.627  25.990   9.886
  654   2HE   LYS  79          1HE       LYS  79   0.390  24.540  10.012
  655   1HZ   LYS  79          1HZ       LYS  79  -1.959  23.950   9.833
  656   2HZ   LYS  79          2HZ       LYS  79  -2.308  24.866  11.221
  657   3HZ   LYS  79          3HZ       LYS  79  -1.327  23.483  11.337
  Start of MODEL   14
    1   1H    MET   1          1HT       MET   1  -9.937  18.682   6.010
    2   2H    MET   1          2HT       MET   1 -10.718  17.184   5.824
    3   3H    MET   1          3HT       MET   1 -11.615  18.568   6.233
    4    HA   MET   1           HA       MET   1 -11.929  18.041   3.891
    5   1HB   MET   1          2HB       MET   1 -11.697  20.390   5.000
    6   2HB   MET   1          1HB       MET   1 -10.150  20.462   4.154
    7   1HG   MET   1          2HG       MET   1 -11.194  20.264   2.020
    8   2HG   MET   1          1HG       MET   1 -12.733  19.785   2.736
    9   1HE   MET   1          1HE       MET   1 -13.619  21.303   4.798
   10   2HE   MET   1          2HE       MET   1 -14.601  21.395   3.339
   11   3HE   MET   1          3HE       MET   1 -14.239  22.864   4.242
   12    H    LYS   2           H        LYS   2 -10.876  18.029   1.735
   13    HA   LYS   2           HA       LYS   2  -8.141  16.846   1.865
   14   1HB   LYS   2          2HB       LYS   2 -10.555  16.680   0.120
   15   2HB   LYS   2          1HB       LYS   2  -8.991  16.424  -0.654
   16   1HG   LYS   2          2HG       LYS   2  -9.570  14.261   0.043
   17   2HG   LYS   2          1HG       LYS   2  -8.533  14.821   1.356
   18   1HD   LYS   2          2HD       LYS   2 -10.475  13.855   2.384
   19   2HD   LYS   2          1HD       LYS   2 -10.642  15.603   2.540
   20   1HE   LYS   2          2HE       LYS   2 -11.843  15.128   0.100
   21   2HE   LYS   2          1HE       LYS   2 -12.295  13.693   1.042
   22   1HZ   LYS   2          1HZ       LYS   2 -13.846  15.475   1.491
   23   2HZ   LYS   2          2HZ       LYS   2 -12.576  16.522   1.912
   24   3HZ   LYS   2          3HZ       LYS   2 -12.921  15.168   2.878
   25    H    LYS   3           H        LYS   3  -8.807  19.834   1.923
   26    HA   LYS   3           HA       LYS   3  -8.079  20.982  -0.613
   27   1HB   LYS   3          2HB       LYS   3  -9.286  21.999   1.425
   28   2HB   LYS   3          1HB       LYS   3  -7.679  22.207   2.121
   29   1HG   LYS   3          2HG       LYS   3  -7.009  23.469   0.061
   30   2HG   LYS   3          1HG       LYS   3  -8.680  23.366  -0.495
   31   1HD   LYS   3          2HD       LYS   3  -9.443  24.566   1.507
   32   2HD   LYS   3          1HD       LYS   3  -7.786  24.636   2.111
   33   1HE   LYS   3          2HE       LYS   3  -7.109  25.982   0.160
   34   2HE   LYS   3          1HE       LYS   3  -8.763  25.897  -0.479
   35   1HZ   LYS   3          1HZ       LYS   3  -8.002  26.980   2.183
   36   2HZ   LYS   3          2HZ       LYS   3  -9.579  26.901   1.554
   37   3HZ   LYS   3          3HZ       LYS   3  -8.421  27.916   0.833
   38    H    LYS   4           H        LYS   4  -6.103  20.211  -1.426
   39    HA   LYS   4           HA       LYS   4  -3.673  21.139  -0.086
   40   1HB   LYS   4          2HB       LYS   4  -4.537  18.276  -0.293
   41   2HB   LYS   4          1HB       LYS   4  -2.817  18.652  -0.383
   42   1HG   LYS   4          2HG       LYS   4  -3.261  20.083   1.751
   43   2HG   LYS   4          1HG       LYS   4  -4.731  19.119   1.893
   44   1HD   LYS   4          2HD       LYS   4  -3.262  17.055   1.682
   45   2HD   LYS   4          1HD       LYS   4  -1.872  18.126   1.864
   46   1HE   LYS   4          2HE       LYS   4  -2.299  17.421   4.085
   47   2HE   LYS   4          1HE       LYS   4  -3.136  18.983   4.001
   48   1HZ   LYS   4          1HZ       LYS   4  -4.606  17.254   4.858
   49   2HZ   LYS   4          2HZ       LYS   4  -4.365  16.332   3.452
   50   3HZ   LYS   4          3HZ       LYS   4  -5.161  17.831   3.363
   51    H    ASP   5           H        ASP   5  -1.737  19.982  -1.542
   52    HA   ASP   5           HA       ASP   5  -2.544  20.258  -4.419
   53   1HB   ASP   5          2HB       ASP   5  -0.772  21.863  -2.726
   54   2HB   ASP   5          1HB       ASP   5   0.055  21.269  -4.164
   55    HA   PRO   6           HA       PRO   6   0.007  16.747  -5.197
   56   1HB   PRO   6          2HB       PRO   6   1.667  17.455  -7.259
   57   2HB   PRO   6          1HB       PRO   6  -0.068  17.144  -7.475
   58   1HG   PRO   6          2HG       PRO   6   1.371  19.741  -7.238
   59   2HG   PRO   6          1HG       PRO   6   0.029  19.288  -8.301
   60   1HD   PRO   6          2HD       PRO   6  -0.314  20.745  -6.041
   61   2HD   PRO   6          1HD       PRO   6  -1.554  19.644  -6.677
   62    H    ASN   7           H        ASN   7   1.762  19.777  -4.795
   63    HA   ASN   7           HA       ASN   7   4.345  18.539  -4.240
   64   1HB   ASN   7          2HB       ASN   7   3.687  20.914  -5.113
   65   2HB   ASN   7          1HB       ASN   7   3.482  21.302  -3.404
   66   1HD2  ASN   7          1HD2      ASN   7   5.795  21.116  -5.901
   67   2HD2  ASN   7          2HD2      ASN   7   7.192  21.163  -4.937
   68    H    ALA   8           H        ALA   8   1.494  19.217  -2.347
   69    HA   ALA   8           HA       ALA   8   2.980  19.039   0.220
   70   1HB   ALA   8          1HB       ALA   8   1.244  20.740  -0.030
   71   2HB   ALA   8          2HB       ALA   8   0.683  19.531   1.124
   72   3HB   ALA   8          3HB       ALA   8   0.077  19.517  -0.531
   73    HA   PRO   9           HA       PRO   9   2.052  14.673   0.218
   74   1HB   PRO   9          2HB       PRO   9   2.737  14.098   2.803
   75   2HB   PRO   9          1HB       PRO   9   3.933  14.347   1.515
   76   1HG   PRO   9          2HG       PRO   9   3.045  16.196   3.662
   77   2HG   PRO   9          1HG       PRO   9   4.652  15.967   2.961
   78   1HD   PRO   9          2HD       PRO   9   2.990  18.051   2.324
   79   2HD   PRO   9          1HD       PRO   9   4.254  17.422   1.246
   80    H    LYS  10           H        LYS  10  -0.156  14.342   0.146
   81    HA   LYS  10           HA       LYS  10  -2.046  15.354   2.059
   82   1HB   LYS  10          2HB       LYS  10  -3.598  13.882   0.808
   83   2HB   LYS  10          1HB       LYS  10  -2.543  14.761  -0.294
   84   1HG   LYS  10          2HG       LYS  10  -1.028  12.553   0.111
   85   2HG   LYS  10          1HG       LYS  10  -2.635  11.856   0.319
   86   1HD   LYS  10          2HD       LYS  10  -3.232  13.123  -1.868
   87   2HD   LYS  10          1HD       LYS  10  -1.488  13.240  -2.099
   88   1HE   LYS  10          2HE       LYS  10  -1.243  10.839  -2.100
   89   2HE   LYS  10          1HE       LYS  10  -2.929  10.616  -1.589
   90   1HZ   LYS  10          1HZ       LYS  10  -2.077  11.983  -4.087
   91   2HZ   LYS  10          2HZ       LYS  10  -3.678  11.682  -3.598
   92   3HZ   LYS  10          3HZ       LYS  10  -2.654  10.390  -4.011
   93    H    ARG  11           H        ARG  11  -3.570  12.889   2.495
   94    HA   ARG  11           HA       ARG  11  -2.584  12.045   5.015
   95   1HB   ARG  11          2HB       ARG  11  -4.677  11.345   3.088
   96   2HB   ARG  11          1HB       ARG  11  -4.115   9.937   3.990
   97   1HG   ARG  11          2HG       ARG  11  -5.796  10.784   5.387
   98   2HG   ARG  11          1HG       ARG  11  -4.340  11.505   6.076
   99   1HD   ARG  11          2HD       ARG  11  -4.760  13.551   4.662
  100   2HD   ARG  11          1HD       ARG  11  -6.315  12.836   4.192
  101    HE   ARG  11           HE       ARG  11  -5.617  13.827   6.882
  102   1HH1  ARG  11          1HH1      ARG  11  -6.844  11.189   7.343
  103   2HH1  ARG  11          2HH1      ARG  11  -8.540  11.543   7.359
  104   1HH2  ARG  11          1HH2      ARG  11  -8.179  14.634   5.829
  105   2HH2  ARG  11          2HH2      ARG  11  -9.295  13.494   6.502
  106    HA   PRO  12           HA       PRO  12   0.648   9.296   3.660
  107   1HB   PRO  12          2HB       PRO  12   1.130   8.003   6.022
  108   2HB   PRO  12          1HB       PRO  12   1.686   9.657   5.694
  109   1HG   PRO  12          2HG       PRO  12  -0.631   8.721   7.298
  110   2HG   PRO  12          1HG       PRO  12   0.455  10.091   7.568
  111   1HD   PRO  12          2HD       PRO  12  -2.077  10.308   6.531
  112   2HD   PRO  12          1HD       PRO  12  -0.778  11.489   6.261
  113    HA   PRO  13           HA       PRO  13  -1.892   5.667   3.036
  114   1HB   PRO  13          2HB       PRO  13  -0.221   4.308   1.358
  115   2HB   PRO  13          1HB       PRO  13  -1.192   5.699   0.838
  116   1HG   PRO  13          2HG       PRO  13   1.700   5.526   1.401
  117   2HG   PRO  13          1HG       PRO  13   0.822   6.585   0.290
  118   1HD   PRO  13          2HD       PRO  13   1.819   7.287   2.812
  119   2HD   PRO  13          1HD       PRO  13   0.670   8.225   1.837
  120    H    SER  14           H        SER  14  -1.353   3.125   3.076
  121    HA   SER  14           HA       SER  14   0.919   2.287   4.691
  122   1HB   SER  14          2HB       SER  14  -1.649   3.123   5.920
  123   2HB   SER  14          1HB       SER  14  -0.972   1.617   6.532
  124    HG   SER  14           HG       SER  14   0.452   2.767   7.547
  125    H    ALA  15           H        ALA  15   0.312   1.073   2.403
  126    HA   ALA  15           HA       ALA  15  -0.111  -1.018   1.470
  127   1HB   ALA  15          1HB       ALA  15   0.420  -2.628   2.961
  128   2HB   ALA  15          2HB       ALA  15  -1.141  -2.443   3.756
  129   3HB   ALA  15          3HB       ALA  15   0.229  -1.458   4.265
  130    H    PHE  16           H        PHE  16  -2.630  -1.183   4.026
  131    HA   PHE  16           HA       PHE  16  -4.747  -2.027   2.433
  132   1HB   PHE  16          2HB       PHE  16  -4.457  -1.550   4.990
  133   2HB   PHE  16          1HB       PHE  16  -5.121   0.035   4.592
  134    HD1  PHE  16           1HD      PHE  16  -5.927  -3.316   5.440
  135    HD2  PHE  16           2HD      PHE  16  -7.299   0.021   3.109
  136    HE1  PHE  16           1HE      PHE  16  -8.213  -4.275   5.413
  137    HE2  PHE  16           2HE      PHE  16  -9.585  -0.938   3.082
  138    HZ   PHE  16           HZ       PHE  16 -10.043  -3.086   4.234
  139    H    PHE  17           H        PHE  17  -3.944   1.384   3.176
  140    HA   PHE  17           HA       PHE  17  -5.998   2.632   1.667
  141   1HB   PHE  17          2HB       PHE  17  -4.109   3.494   3.305
  142   2HB   PHE  17          1HB       PHE  17  -3.211   3.750   1.808
  143    HD1  PHE  17           1HD      PHE  17  -6.473   4.497   3.475
  144    HD2  PHE  17           2HD      PHE  17  -3.634   5.639   0.459
  145    HE1  PHE  17           1HE      PHE  17  -7.744   6.587   3.069
  146    HE2  PHE  17           2HE      PHE  17  -4.906   7.729   0.054
  147    HZ   PHE  17           HZ       PHE  17  -6.961   8.203   1.358
  148    H    LEU  18           H        LEU  18  -2.911   1.241   0.637
  149    HA   LEU  18           HA       LEU  18  -2.999   2.357  -2.058
  150   1HB   LEU  18          2HB       LEU  18  -1.445  -0.027  -1.000
  151   2HB   LEU  18          1HB       LEU  18  -1.026   0.982  -2.378
  152    HG   LEU  18           HG       LEU  18  -1.052   1.838   0.536
  153   1HD1  LEU  18          1HD1      LEU  18   0.866   0.438  -0.115
  154   2HD1  LEU  18          2HD1      LEU  18   1.374   2.101   0.178
  155   3HD1  LEU  18          3HD1      LEU  18   1.195   1.512  -1.474
  156   1HD2  LEU  18          1HD2      LEU  18  -1.648   3.807  -0.596
  157   2HD2  LEU  18          2HD2      LEU  18  -0.756   3.358  -2.048
  158   3HD2  LEU  18          3HD2      LEU  18   0.113   3.900  -0.613
  159    H    PHE  19           H        PHE  19  -4.036  -0.633  -0.487
  160    HA   PHE  19           HA       PHE  19  -4.548  -2.097  -2.953
  161   1HB   PHE  19          2HB       PHE  19  -4.010  -3.037  -0.675
  162   2HB   PHE  19          1HB       PHE  19  -5.614  -2.531  -0.147
  163    HD1  PHE  19           1HD      PHE  19  -7.622  -3.650  -0.945
  164    HD2  PHE  19           2HD      PHE  19  -3.732  -4.831  -2.331
  165    HE1  PHE  19           1HE      PHE  19  -8.591  -5.724  -1.896
  166    HE2  PHE  19           2HE      PHE  19  -4.701  -6.906  -3.283
  167    HZ   PHE  19           HZ       PHE  19  -7.131  -7.353  -3.065
  168    H    CYS  20           H        CYS  20  -6.732  -0.702  -0.468
  169    HA   CYS  20           HA       CYS  20  -9.183  -1.143  -1.831
  170   1HB   CYS  20          2HB       CYS  20  -8.482  -0.233   0.571
  171   2HB   CYS  20          1HB       CYS  20  -8.737   1.332  -0.202
  172    HG   CYS  20           HG       CYS  20 -11.136   0.912   0.282
  173    H    SER  21           H        SER  21  -7.213   1.850  -1.764
  174    HA   SER  21           HA       SER  21  -8.744   3.405  -3.565
  175   1HB   SER  21          2HB       SER  21  -6.731   4.006  -2.097
  176   2HB   SER  21          1HB       SER  21  -5.722   3.371  -3.394
  177    HG   SER  21           HG       SER  21  -6.627   4.897  -4.779
  178    H    GLU  22           H        GLU  22  -6.589   0.715  -4.228
  179    HA   GLU  22           HA       GLU  22  -6.554   1.323  -7.138
  180   1HB   GLU  22          2HB       GLU  22  -5.057  -0.380  -5.206
  181   2HB   GLU  22          1HB       GLU  22  -5.073  -0.876  -6.895
  182   1HG   GLU  22          2HG       GLU  22  -4.291   1.890  -5.932
  183   2HG   GLU  22          1HG       GLU  22  -3.141   0.614  -6.333
  184    H    TYR  23           H        TYR  23  -8.026  -0.871  -4.823
  185    HA   TYR  23           HA       TYR  23  -8.915  -2.761  -6.911
  186   1HB   TYR  23          2HB       TYR  23  -8.766  -2.570  -3.970
  187   2HB   TYR  23          1HB       TYR  23 -10.202  -3.407  -4.560
  188    HD1  TYR  23           1HD      TYR  23  -6.501  -3.252  -5.174
  189    HD2  TYR  23           2HD      TYR  23 -10.044  -5.680  -5.073
  190    HE1  TYR  23           1HE      TYR  23  -5.136  -5.265  -5.658
  191    HE2  TYR  23           2HE      TYR  23  -8.677  -7.692  -5.555
  192    HH   TYR  23           HH       TYR  23  -6.067  -7.871  -6.856
  193    H    ARG  24           H        ARG  24 -10.322  -0.213  -4.861
  194    HA   ARG  24           HA       ARG  24 -13.050  -0.567  -5.231
  195   1HB   ARG  24          2HB       ARG  24 -11.324   1.910  -5.163
  196   2HB   ARG  24          1HB       ARG  24 -13.087   1.975  -5.136
  197   1HG   ARG  24          2HG       ARG  24 -13.208   0.771  -3.084
  198   2HG   ARG  24          1HG       ARG  24 -11.513   0.297  -3.181
  199   1HD   ARG  24          2HD       ARG  24 -10.777   2.298  -2.343
  200   2HD   ARG  24          1HD       ARG  24 -12.013   3.225  -3.219
  201    HE   ARG  24           HE       ARG  24 -12.864   1.510  -0.935
  202   1HH1  ARG  24          1HH2      ARG  24 -14.329   3.739  -2.631
  203   2HH1  ARG  24          2HH2      ARG  24 -14.479   4.959  -1.410
  204   1HH2  ARG  24          1HH1      ARG  24 -12.227   3.448   0.750
  205   2HH2  ARG  24          2HH1      ARG  24 -13.288   4.794   0.504
  206    HA   PRO  25           HA       PRO  25 -12.897   1.912  -9.419
  207   1HB   PRO  25          2HB       PRO  25 -10.513   1.762 -10.783
  208   2HB   PRO  25          1HB       PRO  25 -10.960   3.118  -9.726
  209   1HG   PRO  25          2HG       PRO  25  -9.274   0.727  -9.111
  210   2HG   PRO  25          1HG       PRO  25  -8.976   2.436  -8.741
  211   1HD   PRO  25          2HD       PRO  25  -9.888   0.805  -6.870
  212   2HD   PRO  25          1HD       PRO  25 -10.521   2.460  -6.989
  213    H    LYS  26           H        LYS  26 -11.034  -1.008  -8.836
  214    HA   LYS  26           HA       LYS  26 -11.547  -2.336 -11.359
  215   1HB   LYS  26          2HB       LYS  26  -9.879  -2.834  -9.415
  216   2HB   LYS  26          1HB       LYS  26 -11.253  -3.648  -8.659
  217   1HG   LYS  26          2HG       LYS  26 -10.493  -4.277 -11.504
  218   2HG   LYS  26          1HG       LYS  26  -9.648  -5.055 -10.164
  219   1HD   LYS  26          2HD       LYS  26 -11.986  -5.643  -9.258
  220   2HD   LYS  26          1HD       LYS  26 -12.584  -5.203 -10.858
  221   1HE   LYS  26          2HE       LYS  26 -11.028  -6.858 -11.880
  222   2HE   LYS  26          1HE       LYS  26 -10.508  -7.339 -10.252
  223   1HZ   LYS  26          1HZ       LYS  26 -13.301  -7.387 -11.269
  224   2HZ   LYS  26          2HZ       LYS  26 -12.818  -7.807  -9.695
  225   3HZ   LYS  26          3HZ       LYS  26 -12.319  -8.748 -11.019
  226    H    ILE  27           H        ILE  27 -13.103  -2.350  -8.174
  227    HA   ILE  27           HA       ILE  27 -15.209  -4.202  -8.666
  228    HB   ILE  27           HB       ILE  27 -15.086  -1.701  -6.934
  229   1HG1  ILE  27          2HG1      ILE  27 -13.249  -3.318  -6.498
  230   2HG1  ILE  27          1HG1      ILE  27 -14.365  -3.213  -5.143
  231   1HG2  ILE  27          1HG2      ILE  27 -16.750  -3.002  -5.517
  232   2HG2  ILE  27          2HG2      ILE  27 -16.946  -4.087  -6.893
  233   3HG2  ILE  27          3HG2      ILE  27 -17.375  -2.383  -7.046
  234   1HD1  ILE  27          1HD1      ILE  27 -13.820  -5.554  -5.607
  235   2HD1  ILE  27          2HD1      ILE  27 -14.363  -5.365  -7.274
  236   3HD1  ILE  27          3HD1      ILE  27 -15.523  -5.245  -5.950
  237    H    LYS  28           H        LYS  28 -14.773  -0.872  -9.683
  238    HA   LYS  28           HA       LYS  28 -17.614  -0.429 -10.250
  239   1HB   LYS  28          2HB       LYS  28 -15.391   1.279 -11.347
  240   2HB   LYS  28          1HB       LYS  28 -16.966   1.770 -10.740
  241   1HG   LYS  28          2HG       LYS  28 -14.499   1.031  -9.198
  242   2HG   LYS  28          1HG       LYS  28 -15.402   2.525  -9.122
  243   1HD   LYS  28          2HD       LYS  28 -16.256  -0.179  -8.017
  244   2HD   LYS  28          1HD       LYS  28 -15.813   1.255  -7.097
  245   1HE   LYS  28          2HE       LYS  28 -18.113   1.291  -9.074
  246   2HE   LYS  28          1HE       LYS  28 -18.334   0.851  -7.368
  247   1HZ   LYS  28          1HZ       LYS  28 -17.126   3.361  -8.404
  248   2HZ   LYS  28          2HZ       LYS  28 -17.174   2.920  -6.764
  249   3HZ   LYS  28          3HZ       LYS  28 -18.618   3.217  -7.611
  250    H    SER  29           H        SER  29 -14.680  -1.166 -12.125
  251    HA   SER  29           HA       SER  29 -15.721  -0.875 -14.753
  252   1HB   SER  29          2HB       SER  29 -13.343  -1.295 -14.032
  253   2HB   SER  29          1HB       SER  29 -13.783  -2.972 -13.719
  254    HG   SER  29           HG       SER  29 -14.189  -3.258 -15.866
  255    H    GLU  30           H        GLU  30 -16.232  -3.379 -12.351
  256    HA   GLU  30           HA       GLU  30 -17.750  -5.031 -14.331
  257   1HB   GLU  30          2HB       GLU  30 -16.031  -5.503 -11.977
  258   2HB   GLU  30          1HB       GLU  30 -17.489  -6.493 -12.013
  259   1HG   GLU  30          2HG       GLU  30 -15.691  -6.216 -14.426
  260   2HG   GLU  30          1HG       GLU  30 -15.422  -7.454 -13.198
  261    H    HIS  31           H        HIS  31 -17.896  -3.813 -10.974
  262    HA   HIS  31           HA       HIS  31 -20.853  -4.198 -10.964
  263   1HB   HIS  31          2HB       HIS  31 -19.099  -3.391  -8.630
  264   2HB   HIS  31          1HB       HIS  31 -20.665  -4.191  -8.589
  265    HD1  HIS  31           1HD      HIS  31 -17.021  -4.842  -9.212
  266    HD2  HIS  31           2HD      HIS  31 -20.570  -7.014  -8.963
  267    HE1  HIS  31           1HE      HIS  31 -16.360  -7.280  -9.145
  268    HA   PRO  32           HA       PRO  32 -20.634   0.310 -11.458
  269   1HB   PRO  32          2HB       PRO  32 -23.060   0.592 -12.689
  270   2HB   PRO  32          1HB       PRO  32 -21.580   0.147 -13.550
  271   1HG   PRO  32          2HG       PRO  32 -23.890  -1.513 -12.824
  272   2HG   PRO  32          1HG       PRO  32 -22.705  -1.718 -14.119
  273   1HD   PRO  32          2HD       PRO  32 -22.785  -3.102 -11.668
  274   2HD   PRO  32          1HD       PRO  32 -21.500  -3.145 -12.890
  275    H    GLY  33           H        GLY  33 -23.500  -1.541 -10.442
  276   1HA   GLY  33          2HA       GLY  33 -24.737   0.570  -8.948
  277   2HA   GLY  33          1HA       GLY  33 -25.049  -1.153  -8.736
  278    H    LEU  34           H        LEU  34 -22.063  -1.563  -8.279
  279    HA   LEU  34           HA       LEU  34 -21.959  -1.711  -5.477
  280   1HB   LEU  34          2HB       LEU  34 -20.216  -1.988  -7.759
  281   2HB   LEU  34          1HB       LEU  34 -19.341  -1.155  -6.480
  282    HG   LEU  34           HG       LEU  34 -19.107  -3.634  -6.357
  283   1HD1  LEU  34          1HD1      LEU  34 -20.249  -3.653  -3.892
  284   2HD1  LEU  34          2HD1      LEU  34 -20.195  -1.918  -4.207
  285   3HD1  LEU  34          3HD1      LEU  34 -18.711  -2.869  -4.251
  286   1HD2  LEU  34          1HD2      LEU  34 -20.883  -5.058  -6.332
  287   2HD2  LEU  34          2HD2      LEU  34 -21.777  -3.696  -7.008
  288   3HD2  LEU  34          3HD2      LEU  34 -21.829  -4.010  -5.274
  289    H    SER  35           H        SER  35 -22.779   0.258  -4.528
  290    HA   SER  35           HA       SER  35 -21.609   2.868  -5.077
  291   1HB   SER  35          2HB       SER  35 -23.305   1.783  -2.804
  292   2HB   SER  35          1HB       SER  35 -22.993   3.492  -3.092
  293    HG   SER  35           HG       SER  35 -24.989   2.499  -4.012
  294    H    ILE  36           H        ILE  36 -20.691   4.115  -3.034
  295    HA   ILE  36           HA       ILE  36 -18.195   2.952  -2.292
  296    HB   ILE  36           HB       ILE  36 -19.869   5.258  -1.271
  297   1HG1  ILE  36          2HG1      ILE  36 -17.659   6.381  -2.207
  298   2HG1  ILE  36          1HG1      ILE  36 -17.498   4.850  -3.067
  299   1HG2  ILE  36          1HG2      ILE  36 -17.205   4.251  -0.243
  300   2HG2  ILE  36          2HG2      ILE  36 -18.634   4.697   0.688
  301   3HG2  ILE  36          3HG2      ILE  36 -17.669   5.947  -0.099
  302   1HD1  ILE  36          1HD1      ILE  36 -18.785   6.775  -4.238
  303   2HD1  ILE  36          2HD1      ILE  36 -20.092   6.383  -3.120
  304   3HD1  ILE  36          3HD1      ILE  36 -19.507   5.166  -4.254
  305    H    GLY  37           H        GLY  37 -21.370   2.863  -0.739
  306   1HA   GLY  37          2HA       GLY  37 -20.590   1.918   1.833
  307   2HA   GLY  37          1HA       GLY  37 -22.151   1.589   1.076
  308    H    ASP  38           H        ASP  38 -21.830  -0.028  -0.904
  309    HA   ASP  38           HA       ASP  38 -20.912  -2.550   0.210
  310   1HB   ASP  38          2HB       ASP  38 -22.790  -1.951  -1.510
  311   2HB   ASP  38          1HB       ASP  38 -21.488  -2.000  -2.698
  312    H    THR  39           H        THR  39 -19.579  -0.229  -2.133
  313    HA   THR  39           HA       THR  39 -17.401  -1.878  -3.055
  314    HB   THR  39           HB       THR  39 -17.730   1.130  -2.853
  315    HG1  THR  39           1HG      THR  39 -19.284   0.095  -4.130
  316   1HG2  THR  39          1HG2      THR  39 -15.395   0.685  -3.174
  317   2HG2  THR  39          2HG2      THR  39 -16.048   1.092  -4.761
  318   3HG2  THR  39          3HG2      THR  39 -15.737  -0.593  -4.340
  319    H    ALA  40           H        ALA  40 -17.862   0.149  -0.224
  320    HA   ALA  40           HA       ALA  40 -15.060   0.194   0.576
  321   1HB   ALA  40          1HB       ALA  40 -16.070   1.093   2.683
  322   2HB   ALA  40          2HB       ALA  40 -17.668   0.702   2.047
  323   3HB   ALA  40          3HB       ALA  40 -16.670   1.914   1.243
  324    H    LYS  41           H        LYS  41 -17.894  -1.800   1.405
  325    HA   LYS  41           HA       LYS  41 -16.265  -3.410   3.276
  326   1HB   LYS  41          2HB       LYS  41 -18.419  -4.326   3.944
  327   2HB   LYS  41          1HB       LYS  41 -18.537  -2.573   3.856
  328   1HG   LYS  41          2HG       LYS  41 -19.448  -2.867   1.507
  329   2HG   LYS  41          1HG       LYS  41 -19.537  -4.593   1.836
  330   1HD   LYS  41          2HD       LYS  41 -21.702  -3.695   2.342
  331   2HD   LYS  41          1HD       LYS  41 -20.918  -4.012   3.890
  332   1HE   LYS  41          2HE       LYS  41 -20.092  -1.436   3.393
  333   2HE   LYS  41          1HE       LYS  41 -21.726  -1.434   2.698
  334   1HZ   LYS  41          1HZ       LYS  41 -21.017  -2.476   5.391
  335   2HZ   LYS  41          2HZ       LYS  41 -22.576  -2.418   4.718
  336   3HZ   LYS  41          3HZ       LYS  41 -21.756  -0.978   5.096
  337    H    LYS  42           H        LYS  42 -17.252  -3.585  -0.044
  338    HA   LYS  42           HA       LYS  42 -17.244  -6.529  -0.163
  339   1HB   LYS  42          2HB       LYS  42 -18.673  -4.913  -1.505
  340   2HB   LYS  42          1HB       LYS  42 -17.218  -4.477  -2.398
  341   1HG   LYS  42          2HG       LYS  42 -18.225  -6.140  -3.718
  342   2HG   LYS  42          1HG       LYS  42 -17.005  -7.037  -2.806
  343   1HD   LYS  42          2HD       LYS  42 -19.554  -6.799  -1.365
  344   2HD   LYS  42          1HD       LYS  42 -19.719  -7.638  -2.903
  345   1HE   LYS  42          2HE       LYS  42 -17.325  -8.536  -1.526
  346   2HE   LYS  42          1HE       LYS  42 -18.752  -8.733  -0.496
  347   1HZ   LYS  42          1HZ       LYS  42 -19.907  -9.703  -2.440
  348   2HZ   LYS  42          2HZ       LYS  42 -18.589 -10.639  -1.914
  349   3HZ   LYS  42          3HZ       LYS  42 -18.444  -9.665  -3.299
  350    H    LEU  43           H        LEU  43 -14.789  -4.347   0.235
  351    HA   LEU  43           HA       LEU  43 -12.918  -5.713  -1.650
  352   1HB   LEU  43          2HB       LEU  43 -12.893  -3.099  -0.120
  353   2HB   LEU  43          1HB       LEU  43 -11.480  -3.707  -0.984
  354    HG   LEU  43           HG       LEU  43 -14.186  -3.315  -2.287
  355   1HD1  LEU  43          1HD1      LEU  43 -13.241  -1.159  -1.482
  356   2HD1  LEU  43          2HD1      LEU  43 -13.258  -1.257  -3.243
  357   3HD1  LEU  43          3HD1      LEU  43 -11.751  -1.506  -2.360
  358   1HD2  LEU  43          1HD2      LEU  43 -12.440  -3.221  -4.291
  359   2HD2  LEU  43          2HD2      LEU  43 -13.020  -4.767  -3.672
  360   3HD2  LEU  43          3HD2      LEU  43 -11.446  -4.149  -3.169
  361    H    GLY  44           H        GLY  44 -13.522  -4.914   1.742
  362   1HA   GLY  44          2HA       GLY  44 -11.047  -5.873   2.820
  363   2HA   GLY  44          1HA       GLY  44 -12.550  -5.703   3.726
  364    H    GLU  45           H        GLU  45 -14.060  -7.495   1.952
  365    HA   GLU  45           HA       GLU  45 -13.834  -9.960   3.272
  366   1HB   GLU  45          2HB       GLU  45 -15.629  -9.051   1.691
  367   2HB   GLU  45          1HB       GLU  45 -14.612  -9.617   0.366
  368   1HG   GLU  45          2HG       GLU  45 -14.738 -11.898   1.152
  369   2HG   GLU  45          1HG       GLU  45 -15.554 -11.394   2.632
  370    H    MET  46           H        MET  46 -12.062  -8.828   0.419
  371    HA   MET  46           HA       MET  46 -10.747 -11.440   0.007
  372   1HB   MET  46          2HB       MET  46 -10.422  -8.693  -1.249
  373   2HB   MET  46          1HB       MET  46  -9.660 -10.168  -1.844
  374   1HG   MET  46          2HG       MET  46 -11.865 -11.181  -2.217
  375   2HG   MET  46          1HG       MET  46 -12.650  -9.737  -1.577
  376   1HE   MET  46          1HE       MET  46 -13.681  -8.792  -4.997
  377   2HE   MET  46          2HE       MET  46 -13.916  -8.528  -3.271
  378   3HE   MET  46          3HE       MET  46 -13.955 -10.166  -3.918
  379    H    TRP  47           H        TRP  47  -9.900  -8.164   1.131
  380    HA   TRP  47           HA       TRP  47  -7.109  -8.476   1.478
  381   1HB   TRP  47          2HB       TRP  47  -8.495  -6.390   1.685
  382   2HB   TRP  47          1HB       TRP  47  -9.052  -6.969   3.255
  383    HD1  TRP  47           HD       TRP  47  -7.628  -6.305   5.254
  384    HE1  TRP  47           1HE      TRP  47  -5.233  -5.414   5.597
  385    HE3  TRP  47           3HE      TRP  47  -5.903  -6.543   0.455
  386    HZ2  TRP  47           2HZ      TRP  47  -2.894  -4.873   4.039
  387    HZ3  TRP  47           3HZ      TRP  47  -3.591  -5.836  -0.088
  388    HH2  TRP  47           HH       TRP  47  -2.085  -5.002   1.696
  389    H    SER  48           H        SER  48  -9.748  -9.811   3.371
  390    HA   SER  48           HA       SER  48  -8.054 -10.448   5.692
  391   1HB   SER  48          2HB       SER  48 -10.497  -9.840   5.762
  392   2HB   SER  48          1HB       SER  48 -10.850 -11.352   4.931
  393    HG   SER  48           HG       SER  48 -10.850 -11.213   7.388
  394    H    GLU  49           H        GLU  49  -9.441 -12.112   2.880
  395    HA   GLU  49           HA       GLU  49  -8.792 -14.802   3.629
  396   1HB   GLU  49          2HB       GLU  49  -9.170 -13.337   1.007
  397   2HB   GLU  49          1HB       GLU  49  -8.885 -15.077   1.068
  398   1HG   GLU  49          2HG       GLU  49 -10.838 -15.135   2.766
  399   2HG   GLU  49          1HG       GLU  49 -11.221 -13.519   2.173
  400    H    GLN  50           H        GLN  50  -6.918 -12.226   2.106
  401    HA   GLN  50           HA       GLN  50  -4.676 -13.792   1.227
  402   1HB   GLN  50          2HB       GLN  50  -4.967 -10.900   2.105
  403   2HB   GLN  50          1HB       GLN  50  -3.553 -11.542   1.267
  404   1HG   GLN  50          2HG       GLN  50  -6.287 -11.962   0.093
  405   2HG   GLN  50          1HG       GLN  50  -5.472 -10.412  -0.127
  406   1HE2  GLN  50          1HE2      GLN  50  -4.413 -10.391  -2.109
  407   2HE2  GLN  50          2HE2      GLN  50  -3.580 -11.705  -2.787
  408    H    SER  51           H        SER  51  -2.673 -14.180   2.273
  409    HA   SER  51           HA       SER  51  -2.776 -14.086   5.260
  410   1HB   SER  51          2HB       SER  51  -0.972 -15.653   3.389
  411   2HB   SER  51          1HB       SER  51  -1.203 -15.933   5.113
  412    HG   SER  51           HG       SER  51  -3.193 -16.711   4.729
  413    H    ALA  52           H        ALA  52   0.125 -14.450   5.468
  414    HA   ALA  52           HA       ALA  52   0.948 -11.639   5.305
  415   1HB   ALA  52          1HB       ALA  52   1.496 -13.135   7.200
  416   2HB   ALA  52          2HB       ALA  52   2.967 -12.543   6.426
  417   3HB   ALA  52          3HB       ALA  52   2.402 -14.184   6.109
  418    H    LYS  53           H        LYS  53   0.502 -12.183   2.724
  419    HA   LYS  53           HA       LYS  53   3.233 -12.567   1.556
  420   1HB   LYS  53          2HB       LYS  53   1.284 -14.456   1.483
  421   2HB   LYS  53          1HB       LYS  53   0.871 -13.535   0.036
  422   1HG   LYS  53          2HG       LYS  53   3.006 -13.904  -0.941
  423   2HG   LYS  53          1HG       LYS  53   3.695 -14.457   0.587
  424   1HD   LYS  53          2HD       LYS  53   2.018 -16.375   0.504
  425   2HD   LYS  53          1HD       LYS  53   1.678 -15.888  -1.156
  426   1HE   LYS  53          2HE       LYS  53   3.949 -16.313  -1.839
  427   2HE   LYS  53          1HE       LYS  53   4.472 -16.528  -0.156
  428   1HZ   LYS  53          1HZ       LYS  53   4.030 -18.665  -1.235
  429   2HZ   LYS  53          2HZ       LYS  53   2.429 -18.185  -1.543
  430   3HZ   LYS  53          3HZ       LYS  53   2.964 -18.391   0.056
  431    H    ASP  54           H        ASP  54  -0.125 -11.561   0.796
  432    HA   ASP  54           HA       ASP  54   0.618  -9.857  -1.420
  433   1HB   ASP  54          2HB       ASP  54  -1.626 -10.968  -0.822
  434   2HB   ASP  54          1HB       ASP  54  -1.849  -9.638   0.317
  435    H    LYS  55           H        LYS  55   0.367  -9.334   2.063
  436    HA   LYS  55           HA       LYS  55   0.387  -6.417   1.866
  437   1HB   LYS  55          2HB       LYS  55  -0.648  -7.765   3.703
  438   2HB   LYS  55          1HB       LYS  55   0.967  -8.276   4.193
  439   1HG   LYS  55          2HG       LYS  55   1.598  -6.061   4.792
  440   2HG   LYS  55          1HG       LYS  55   0.214  -5.359   3.954
  441   1HD   LYS  55          2HD       LYS  55  -0.450  -5.301   6.209
  442   2HD   LYS  55          1HD       LYS  55  -1.217  -6.771   5.606
  443   1HE   LYS  55          2HE       LYS  55   0.392  -8.175   6.644
  444   2HE   LYS  55          1HE       LYS  55   1.526  -6.831   6.886
  445   1HZ   LYS  55          1HZ       LYS  55   0.311  -7.313   8.927
  446   2HZ   LYS  55          2HZ       LYS  55  -1.166  -7.070   8.125
  447   3HZ   LYS  55          3HZ       LYS  55  -0.090  -5.773   8.340
  448    H    GLN  56           H        GLN  56   2.793  -8.962   2.512
  449    HA   GLN  56           HA       GLN  56   5.005  -7.603   3.434
  450   1HB   GLN  56          2HB       GLN  56   4.471  -9.911   1.673
  451   2HB   GLN  56          1HB       GLN  56   6.106  -9.262   1.552
  452   1HG   GLN  56          2HG       GLN  56   4.810  -9.850   4.219
  453   2HG   GLN  56          1HG       GLN  56   5.725 -11.070   3.332
  454   1HE2  GLN  56          1HE2      GLN  56   8.055 -10.603   2.919
  455   2HE2  GLN  56          2HE2      GLN  56   8.887  -9.512   3.919
  456    HA   PRO  57           HA       PRO  57   6.362  -6.069  -0.863
  457   1HB   PRO  57          2HB       PRO  57   4.717  -6.369  -3.011
  458   2HB   PRO  57          1HB       PRO  57   5.878  -7.612  -2.505
  459   1HG   PRO  57          2HG       PRO  57   2.952  -7.476  -2.088
  460   2HG   PRO  57          1HG       PRO  57   3.981  -8.882  -2.391
  461   1HD   PRO  57          2HD       PRO  57   2.986  -8.155   0.078
  462   2HD   PRO  57          1HD       PRO  57   4.417  -9.176  -0.179
  463    H    TYR  58           H        TYR  58   2.830  -5.818  -0.482
  464    HA   TYR  58           HA       TYR  58   2.709  -3.103  -1.569
  465   1HB   TYR  58          2HB       TYR  58   0.989  -5.276  -1.057
  466   2HB   TYR  58          1HB       TYR  58   0.407  -3.981  -0.016
  467    HD1  TYR  58           1HD      TYR  58   1.297  -4.837  -3.527
  468    HD2  TYR  58           2HD      TYR  58  -0.735  -2.092  -0.922
  469    HE1  TYR  58           1HE      TYR  58   0.258  -3.741  -5.494
  470    HE2  TYR  58           2HE      TYR  58  -1.773  -0.996  -2.890
  471    HH   TYR  58           HH       TYR  58  -0.788  -1.029  -5.744
  472    H    GLU  59           H        GLU  59   3.378  -4.396   1.563
  473    HA   GLU  59           HA       GLU  59   2.342  -2.102   3.071
  474   1HB   GLU  59          2HB       GLU  59   3.227  -3.330   4.977
  475   2HB   GLU  59          1HB       GLU  59   2.441  -4.467   3.890
  476   1HG   GLU  59          2HG       GLU  59   4.365  -5.657   3.972
  477   2HG   GLU  59          1HG       GLU  59   5.046  -4.405   2.938
  478    H    GLN  60           H        GLN  60   5.389  -2.988   1.588
  479    HA   GLN  60           HA       GLN  60   6.993  -1.073   3.110
  480   1HB   GLN  60          2HB       GLN  60   8.736  -1.753   1.472
  481   2HB   GLN  60          1HB       GLN  60   7.930  -3.143   2.196
  482   1HG   GLN  60          2HG       GLN  60   6.716  -3.614   0.250
  483   2HG   GLN  60          1HG       GLN  60   6.918  -1.985  -0.392
  484   1HE2  GLN  60          1HE2      GLN  60   8.406  -1.910  -2.071
  485   2HE2  GLN  60          2HE2      GLN  60   9.759  -2.923  -2.227
  486    H    LYS  61           H        LYS  61   5.002  -0.935   0.253
  487    HA   LYS  61           HA       LYS  61   6.245   1.244  -1.127
  488   1HB   LYS  61          2HB       LYS  61   4.503  -0.246  -2.055
  489   2HB   LYS  61          1HB       LYS  61   3.334   0.395  -0.901
  490   1HG   LYS  61          2HG       LYS  61   3.347   2.544  -1.923
  491   2HG   LYS  61          1HG       LYS  61   4.805   2.181  -2.847
  492   1HD   LYS  61          2HD       LYS  61   3.336   0.239  -3.850
  493   2HD   LYS  61          1HD       LYS  61   1.991   1.244  -3.306
  494   1HE   LYS  61          2HE       LYS  61   4.253   2.371  -4.978
  495   2HE   LYS  61          1HE       LYS  61   2.787   1.679  -5.704
  496   1HZ   LYS  61          1HZ       LYS  61   2.858   3.833  -3.655
  497   2HZ   LYS  61          2HZ       LYS  61   1.452   3.149  -4.321
  498   3HZ   LYS  61          3HZ       LYS  61   2.508   4.051  -5.300
  499    H    ALA  62           H        ALA  62   3.605   1.235   1.300
  500    HA   ALA  62           HA       ALA  62   3.582   4.166   1.439
  501   1HB   ALA  62          1HB       ALA  62   2.057   3.403   3.488
  502   2HB   ALA  62          2HB       ALA  62   2.159   1.837   2.684
  503   3HB   ALA  62          3HB       ALA  62   1.488   3.225   1.828
  504    H    ALA  63           H        ALA  63   5.441   1.647   2.886
  505    HA   ALA  63           HA       ALA  63   5.940   2.742   5.489
  506   1HB   ALA  63          1HB       ALA  63   6.518   0.448   4.734
  507   2HB   ALA  63          2HB       ALA  63   7.939   1.280   5.365
  508   3HB   ALA  63          3HB       ALA  63   7.711   1.120   3.623
  509    H    LYS  64           H        LYS  64   7.147   3.518   2.267
  510    HA   LYS  64           HA       LYS  64   9.347   5.206   3.221
  511   1HB   LYS  64          2HB       LYS  64   9.569   4.026   1.144
  512   2HB   LYS  64          1HB       LYS  64   8.008   4.603   0.588
  513   1HG   LYS  64          2HG       LYS  64   8.928   6.451  -0.300
  514   2HG   LYS  64          1HG       LYS  64   9.704   6.856   1.233
  515   1HD   LYS  64          2HD       LYS  64  11.468   6.560  -0.371
  516   2HD   LYS  64          1HD       LYS  64  11.480   5.134   0.667
  517   1HE   LYS  64          2HE       LYS  64  10.486   3.768  -0.995
  518   2HE   LYS  64          1HE       LYS  64   9.919   5.168  -1.926
  519   1HZ   LYS  64          1HZ       LYS  64  12.744   4.364  -1.472
  520   2HZ   LYS  64          2HZ       LYS  64  12.269   5.815  -2.218
  521   3HZ   LYS  64          3HZ       LYS  64  11.907   4.323  -2.947
  522    H    LEU  65           H        LEU  65   6.508   5.939   1.185
  523    HA   LEU  65           HA       LEU  65   6.429   8.707   1.396
  524   1HB   LEU  65          2HB       LEU  65   4.292   6.587   1.204
  525   2HB   LEU  65          1HB       LEU  65   3.884   8.302   1.136
  526    HG   LEU  65           HG       LEU  65   5.962   8.217  -0.628
  527   1HD1  LEU  65          1HD1      LEU  65   6.384   5.944  -0.817
  528   2HD1  LEU  65          2HD1      LEU  65   5.164   6.140  -2.075
  529   3HD1  LEU  65          3HD1      LEU  65   4.708   5.500  -0.496
  530   1HD2  LEU  65          1HD2      LEU  65   3.027   7.665  -1.180
  531   2HD2  LEU  65          2HD2      LEU  65   4.195   8.185  -2.395
  532   3HD2  LEU  65          3HD2      LEU  65   3.786   9.252  -1.052
  533    H    LYS  66           H        LYS  66   5.611   6.431   3.950
  534    HA   LYS  66           HA       LYS  66   3.936   8.142   5.548
  535   1HB   LYS  66          2HB       LYS  66   4.216   5.671   5.782
  536   2HB   LYS  66          1HB       LYS  66   5.860   5.937   6.363
  537   1HG   LYS  66          2HG       LYS  66   4.607   5.744   8.350
  538   2HG   LYS  66          1HG       LYS  66   4.755   7.488   8.128
  539   1HD   LYS  66          2HD       LYS  66   2.540   7.719   7.411
  540   2HD   LYS  66          1HD       LYS  66   2.411   6.021   6.947
  541   1HE   LYS  66          2HE       LYS  66   2.798   5.579   9.520
  542   2HE   LYS  66          1HE       LYS  66   2.220   7.250   9.685
  543   1HZ   LYS  66          1HZ       LYS  66   0.346   5.744   9.686
  544   2HZ   LYS  66          2HZ       LYS  66   0.854   5.053   8.219
  545   3HZ   LYS  66          3HZ       LYS  66   0.325   6.667   8.263
  546    H    GLU  67           H        GLU  67   7.448   7.522   5.571
  547    HA   GLU  67           HA       GLU  67   8.088   9.302   7.739
  548   1HB   GLU  67          2HB       GLU  67   9.558   7.999   5.454
  549   2HB   GLU  67          1HB       GLU  67  10.397   9.135   6.512
  550   1HG   GLU  67          2HG       GLU  67   9.687   7.782   8.478
  551   2HG   GLU  67          1HG       GLU  67   8.950   6.616   7.379
  552    H    LYS  68           H        LYS  68   8.498   9.734   4.196
  553    HA   LYS  68           HA       LYS  68   9.347  12.436   4.219
  554   1HB   LYS  68          2HB       LYS  68   7.822  10.694   2.281
  555   2HB   LYS  68          1HB       LYS  68   8.235  12.360   1.870
  556   1HG   LYS  68          2HG       LYS  68  10.623  11.865   2.325
  557   2HG   LYS  68          1HG       LYS  68  10.196  10.189   2.675
  558   1HD   LYS  68          2HD       LYS  68   9.580   9.753   0.441
  559   2HD   LYS  68          1HD       LYS  68   9.426  11.467   0.055
  560   1HE   LYS  68          2HE       LYS  68  11.777  11.786  -0.008
  561   2HE   LYS  68          1HE       LYS  68  12.087  10.267   0.858
  562   1HZ   LYS  68          1HZ       LYS  68  12.420  10.002  -1.534
  563   2HZ   LYS  68          2HZ       LYS  68  10.819  10.494  -1.822
  564   3HZ   LYS  68          3HZ       LYS  68  11.129   9.047  -0.988
  565    H    TYR  69           H        TYR  69   6.113  11.074   4.530
  566    HA   TYR  69           HA       TYR  69   4.680  13.577   4.119
  567   1HB   TYR  69          2HB       TYR  69   4.134  10.770   4.981
  568   2HB   TYR  69          1HB       TYR  69   2.947  11.989   5.427
  569    HD1  TYR  69           1HD      TYR  69   5.100  11.544   2.377
  570    HD2  TYR  69           2HD      TYR  69   1.131  11.880   3.983
  571    HE1  TYR  69           1HE      TYR  69   4.167  11.508   0.080
  572    HE2  TYR  69           2HE      TYR  69   0.197  11.845   1.686
  573    HH   TYR  69           HH       TYR  69   1.414  12.559  -0.801
  574    H    GLU  70           H        GLU  70   4.775  11.532   7.033
  575    HA   GLU  70           HA       GLU  70   3.968  13.411   8.943
  576   1HB   GLU  70          2HB       GLU  70   5.740  10.991   8.939
  577   2HB   GLU  70          1HB       GLU  70   5.568  11.918  10.430
  578   1HG   GLU  70          2HG       GLU  70   3.140  11.079   8.855
  579   2HG   GLU  70          1HG       GLU  70   3.899   9.971   9.999
  580    H    LYS  71           H        LYS  71   7.159  13.080   7.477
  581    HA   LYS  71           HA       LYS  71   8.454  14.902   9.388
  582   1HB   LYS  71          2HB       LYS  71   9.480  12.905   8.177
  583   2HB   LYS  71          1HB       LYS  71   9.438  13.885   6.711
  584   1HG   LYS  71          2HG       LYS  71  10.691  15.671   8.084
  585   2HG   LYS  71          1HG       LYS  71  11.002  14.380   9.244
  586   1HD   LYS  71          2HD       LYS  71  11.631  14.062   6.307
  587   2HD   LYS  71          1HD       LYS  71  12.792  14.762   7.436
  588   1HE   LYS  71          2HE       LYS  71  11.483  12.138   8.121
  589   2HE   LYS  71          1HE       LYS  71  12.861  12.169   7.002
  590   1HZ   LYS  71          1HZ       LYS  71  12.793  13.439   9.690
  591   2HZ   LYS  71          2HZ       LYS  71  14.106  13.463   8.612
  592   3HZ   LYS  71          3HZ       LYS  71  13.603  11.997   9.309
  593    H    ASP  72           H        ASP  72   7.906  15.013   5.844
  594    HA   ASP  72           HA       ASP  72   8.575  17.780   5.538
  595   1HB   ASP  72          2HB       ASP  72   8.384  15.878   3.820
  596   2HB   ASP  72          1HB       ASP  72   6.649  16.196   3.828
  597    H    ILE  73           H        ILE  73   5.527  16.185   6.378
  598    HA   ILE  73           HA       ILE  73   3.837  18.485   5.887
  599    HB   ILE  73           HB       ILE  73   3.225  16.008   6.022
  600   1HG1  ILE  73          2HG1      ILE  73   1.021  16.511   7.170
  601   2HG1  ILE  73          1HG1      ILE  73   1.683  18.095   7.577
  602   1HG2  ILE  73          1HG2      ILE  73   2.855  14.975   8.126
  603   2HG2  ILE  73          2HG2      ILE  73   3.027  16.499   8.995
  604   3HG2  ILE  73          3HG2      ILE  73   4.440  15.733   8.274
  605   1HD1  ILE  73          1HD1      ILE  73   1.580  17.021   4.748
  606   2HD1  ILE  73          2HD1      ILE  73   1.949  18.669   5.256
  607   3HD1  ILE  73          3HD1      ILE  73   0.314  18.033   5.444
  608    H    ALA  74           H        ALA  74   5.612  17.290   8.713
  609    HA   ALA  74           HA       ALA  74   4.475  18.962  10.723
  610   1HB   ALA  74          1HB       ALA  74   6.530  18.428  11.933
  611   2HB   ALA  74          2HB       ALA  74   7.346  18.016  10.424
  612   3HB   ALA  74          3HB       ALA  74   6.026  17.008  11.018
  613    H    ALA  75           H        ALA  75   7.348  19.503   8.658
  614    HA   ALA  75           HA       ALA  75   7.751  22.230   9.625
  615   1HB   ALA  75          1HB       ALA  75   9.499  20.608   8.778
  616   2HB   ALA  75          2HB       ALA  75   9.567  22.201   8.024
  617   3HB   ALA  75          3HB       ALA  75   8.844  20.846   7.158
  618    H    TYR  76           H        TYR  76   5.623  20.818   7.321
  619    HA   TYR  76           HA       TYR  76   5.509  23.127   5.508
  620   1HB   TYR  76          2HB       TYR  76   5.146  20.748   4.836
  621   2HB   TYR  76          1HB       TYR  76   3.700  20.708   5.846
  622    HD1  TYR  76           1HD      TYR  76   1.634  21.381   4.954
  623    HD2  TYR  76           2HD      TYR  76   5.270  22.637   3.044
  624    HE1  TYR  76           1HE      TYR  76   0.318  22.377   3.104
  625    HE2  TYR  76           2HE      TYR  76   3.955  23.632   1.193
  626    HH   TYR  76           HH       TYR  76   1.343  24.579   1.098
  627    H    ARG  77           H        ARG  77   3.764  21.913   8.323
  628    HA   ARG  77           HA       ARG  77   1.553  23.835   8.027
  629   1HB   ARG  77          2HB       ARG  77   2.386  21.819  10.130
  630   2HB   ARG  77          1HB       ARG  77   0.905  22.773  10.228
  631   1HG   ARG  77          2HG       ARG  77   0.046  21.798   8.204
  632   2HG   ARG  77          1HG       ARG  77   1.592  21.023   7.856
  633   1HD   ARG  77          2HD       ARG  77   1.304  19.394   9.511
  634   2HD   ARG  77          1HD       ARG  77   0.174  20.401  10.440
  635    HE   ARG  77           HE       ARG  77  -0.593  19.403   7.730
  636   1HH1  ARG  77          1HH2      ARG  77  -2.327  21.077   9.660
  637   2HH1  ARG  77          2HH2      ARG  77  -3.383  19.849  10.276
  638   1HH2  ARG  77          1HH1      ARG  77  -1.421  17.222   9.150
  639   2HH2  ARG  77          2HH1      ARG  77  -2.870  17.667   9.987
  640    H    ALA  78           H        ALA  78   4.694  24.324   8.908
  641    HA   ALA  78           HA       ALA  78   5.805  25.901  10.268
  642   1HB   ALA  78          1HB       ALA  78   4.748  28.029  10.206
  643   2HB   ALA  78          2HB       ALA  78   3.135  27.317  10.242
  644   3HB   ALA  78          3HB       ALA  78   4.125  27.185   8.789
  645    H    LYS  79           H        LYS  79   5.956  24.529  12.176
  646    HA   LYS  79           HA       LYS  79   3.983  25.230  14.330
  647   1HB   LYS  79          2HB       LYS  79   4.404  22.789  13.165
  648   2HB   LYS  79          1HB       LYS  79   5.528  22.712  14.522
  649   1HG   LYS  79          2HG       LYS  79   3.595  21.951  15.551
  650   2HG   LYS  79          1HG       LYS  79   3.454  23.679  15.865
  651   1HD   LYS  79          2HD       LYS  79   2.272  23.575  13.439
  652   2HD   LYS  79          1HD       LYS  79   1.884  21.956  14.022
  653   1HE   LYS  79          2HE       LYS  79   1.051  23.049  16.170
  654   2HE   LYS  79          1HE       LYS  79   1.186  24.604  15.323
  655   1HZ   LYS  79          1HZ       LYS  79  -1.019  23.620  15.028
  656   2HZ   LYS  79          2HZ       LYS  79  -0.318  22.234  14.340
  657   3HZ   LYS  79          3HZ       LYS  79  -0.196  23.734  13.551
  Start of MODEL   15
    1   1H    MET   1          1HT       MET   1 -12.077  14.643  -4.338
    2   2H    MET   1          2HT       MET   1 -11.948  14.433  -6.018
    3   3H    MET   1          3HT       MET   1 -10.640  15.061  -5.137
    4    HA   MET   1           HA       MET   1 -11.728  12.321  -4.736
    5   1HB   MET   1          2HB       MET   1 -10.789  12.970  -7.044
    6   2HB   MET   1          1HB       MET   1  -9.235  13.159  -6.230
    7   1HG   MET   1          2HG       MET   1  -9.186  10.925  -6.980
    8   2HG   MET   1          1HG       MET   1  -9.677  10.780  -5.292
    9   1HE   MET   1          1HE       MET   1 -10.353   9.680  -8.784
   10   2HE   MET   1          2HE       MET   1 -10.922  11.345  -8.875
   11   3HE   MET   1          3HE       MET   1 -12.062  10.020  -9.091
   12    H    LYS   2           H        LYS   2 -11.105  14.186  -2.646
   13    HA   LYS   2           HA       LYS   2  -9.754  14.403  -0.719
   14   1HB   LYS   2          2HB       LYS   2  -9.541  11.584  -1.693
   15   2HB   LYS   2          1HB       LYS   2  -8.453  12.082  -0.396
   16   1HG   LYS   2          2HG       LYS   2 -10.294  11.385   0.838
   17   2HG   LYS   2          1HG       LYS   2 -10.665  13.099   0.640
   18   1HD   LYS   2          2HD       LYS   2 -12.671  11.991   0.034
   19   2HD   LYS   2          1HD       LYS   2 -11.913  12.392  -1.507
   20   1HE   LYS   2          2HE       LYS   2 -10.802   9.926  -0.941
   21   2HE   LYS   2          1HE       LYS   2 -12.458   9.763  -0.321
   22   1HZ   LYS   2          1HZ       LYS   2 -12.434   9.269  -2.670
   23   2HZ   LYS   2          2HZ       LYS   2 -11.676  10.750  -3.014
   24   3HZ   LYS   2          3HZ       LYS   2 -13.265  10.724  -2.414
   25    H    LYS   3           H        LYS   3  -8.302  16.033  -1.518
   26    HA   LYS   3           HA       LYS   3  -5.525  15.245  -1.674
   27   1HB   LYS   3          2HB       LYS   3  -6.517  14.670  -3.948
   28   2HB   LYS   3          1HB       LYS   3  -6.775  16.400  -4.180
   29   1HG   LYS   3          2HG       LYS   3  -4.380  16.824  -3.914
   30   2HG   LYS   3          1HG       LYS   3  -4.092  15.114  -3.591
   31   1HD   LYS   3          2HD       LYS   3  -5.022  14.580  -5.852
   32   2HD   LYS   3          1HD       LYS   3  -5.139  16.311  -6.171
   33   1HE   LYS   3          2HE       LYS   3  -2.698  16.546  -5.838
   34   2HE   LYS   3          1HE       LYS   3  -2.577  14.802  -5.532
   35   1HZ   LYS   3          1HZ       LYS   3  -3.575  14.383  -7.690
   36   2HZ   LYS   3          2HZ       LYS   3  -2.161  15.309  -7.868
   37   3HZ   LYS   3          3HZ       LYS   3  -3.687  16.048  -7.993
   38    H    LYS   4           H        LYS   4  -5.095  16.860  -0.145
   39    HA   LYS   4           HA       LYS   4  -6.180  19.488  -0.092
   40   1HB   LYS   4          2HB       LYS   4  -3.667  18.175   0.941
   41   2HB   LYS   4          1HB       LYS   4  -3.983  19.885   1.242
   42   1HG   LYS   4          2HG       LYS   4  -5.936  19.428   2.489
   43   2HG   LYS   4          1HG       LYS   4  -6.062  17.787   1.854
   44   1HD   LYS   4          2HD       LYS   4  -5.170  17.364   3.958
   45   2HD   LYS   4          1HD       LYS   4  -3.695  17.500   2.998
   46   1HE   LYS   4          2HE       LYS   4  -3.263  18.916   4.848
   47   2HE   LYS   4          1HE       LYS   4  -3.839  20.051   3.611
   48   1HZ   LYS   4          1HZ       LYS   4  -5.044  20.344   5.699
   49   2HZ   LYS   4          2HZ       LYS   4  -5.537  18.718   5.656
   50   3HZ   LYS   4          3HZ       LYS   4  -6.082  19.806   4.469
   51    H    ASP   5           H        ASP   5  -2.850  18.601  -1.094
   52    HA   ASP   5           HA       ASP   5  -2.983  20.333  -3.463
   53   1HB   ASP   5          2HB       ASP   5  -1.811  21.149  -0.844
   54   2HB   ASP   5          1HB       ASP   5  -0.897  21.580  -2.290
   55    HA   PRO   6           HA       PRO   6   0.328  17.682  -4.674
   56   1HB   PRO   6          2HB       PRO   6   1.893  19.295  -6.236
   57   2HB   PRO   6          1HB       PRO   6   0.309  18.686  -6.760
   58   1HG   PRO   6          2HG       PRO   6   1.051  21.364  -5.694
   59   2HG   PRO   6          1HG       PRO   6  -0.091  20.935  -6.978
   60   1HD   PRO   6          2HD       PRO   6  -0.848  21.600  -4.441
   61   2HD   PRO   6          1HD       PRO   6  -1.797  20.541  -5.509
   62    H    ASN   7           H        ASN   7   1.420  20.890  -3.579
   63    HA   ASN   7           HA       ASN   7   4.082  19.970  -2.822
   64   1HB   ASN   7          2HB       ASN   7   3.306  22.295  -3.553
   65   2HB   ASN   7          1HB       ASN   7   2.625  22.469  -1.935
   66   1HD2  ASN   7          1HD2      ASN   7   4.037  23.478  -0.511
   67   2HD2  ASN   7          2HD2      ASN   7   5.731  23.391  -0.583
   68    H    ALA   8           H        ALA   8   1.000  19.735  -1.298
   69    HA   ALA   8           HA       ALA   8   2.232  19.553   1.417
   70   1HB   ALA   8          1HB       ALA   8  -0.302  19.513   1.997
   71   2HB   ALA   8          2HB       ALA   8  -0.550  19.966   0.311
   72   3HB   ALA   8          3HB       ALA   8   0.368  21.024   1.382
   73    HA   PRO   9           HA       PRO   9   1.856  15.140   0.805
   74   1HB   PRO   9          2HB       PRO   9   2.434  14.319   3.348
   75   2HB   PRO   9          1HB       PRO   9   3.674  14.864   2.201
   76   1HG   PRO   9          2HG       PRO   9   2.425  16.320   4.469
   77   2HG   PRO   9          1HG       PRO   9   4.094  16.358   3.884
   78   1HD   PRO   9          2HD       PRO   9   2.246  18.310   3.358
   79   2HD   PRO   9          1HD       PRO   9   3.646  17.960   2.319
   80    H    LYS  10           H        LYS  10  -0.209  14.388   0.572
   81    HA   LYS  10           HA       LYS  10  -2.454  15.086   2.168
   82   1HB   LYS  10          2HB       LYS  10  -3.517  13.199   0.950
   83   2HB   LYS  10          1HB       LYS  10  -2.538  14.191  -0.128
   84   1HG   LYS  10          2HG       LYS  10  -0.779  12.237   0.917
   85   2HG   LYS  10          1HG       LYS  10  -2.261  11.376   0.511
   86   1HD   LYS  10          2HD       LYS  10  -2.203  12.215  -1.760
   87   2HD   LYS  10          1HD       LYS  10  -0.842  13.272  -1.381
   88   1HE   LYS  10          2HE       LYS  10   0.540  11.254  -0.858
   89   2HE   LYS  10          1HE       LYS  10  -0.819  10.232  -1.368
   90   1HZ   LYS  10          1HZ       LYS  10   0.780  10.727  -3.184
   91   2HZ   LYS  10          2HZ       LYS  10   0.376  12.371  -3.047
   92   3HZ   LYS  10          3HZ       LYS  10  -0.802  11.241  -3.518
   93    H    ARG  11           H        ARG  11  -3.684  12.652   2.851
   94    HA   ARG  11           HA       ARG  11  -2.643  12.138   5.475
   95   1HB   ARG  11          2HB       ARG  11  -4.799  11.218   3.684
   96   2HB   ARG  11          1HB       ARG  11  -4.264   9.993   4.834
   97   1HG   ARG  11          2HG       ARG  11  -6.001  11.219   5.935
   98   2HG   ARG  11          1HG       ARG  11  -4.485  11.779   6.642
   99   1HD   ARG  11          2HD       ARG  11  -4.684  13.533   4.586
  100   2HD   ARG  11          1HD       ARG  11  -6.405  13.243   4.908
  101    HE   ARG  11           HE       ARG  11  -4.524  13.923   7.134
  102   1HH1  ARG  11          1HH2      ARG  11  -6.382  15.676   5.097
  103   2HH1  ARG  11          2HH2      ARG  11  -7.515  16.255   6.273
  104   1HH2  ARG  11          1HH1      ARG  11  -6.433  14.098   8.764
  105   2HH2  ARG  11          2HH1      ARG  11  -7.543  15.361   8.349
  106    HA   PRO  12           HA       PRO  12   0.431   9.126   4.408
  107   1HB   PRO  12          2HB       PRO  12   0.766   7.926   6.841
  108   2HB   PRO  12          1HB       PRO  12   1.405   9.539   6.466
  109   1HG   PRO  12          2HG       PRO  12  -1.010   8.773   8.013
  110   2HG   PRO  12          1HG       PRO  12   0.123  10.105   8.269
  111   1HD   PRO  12          2HD       PRO  12  -2.356  10.382   7.121
  112   2HD   PRO  12          1HD       PRO  12  -0.997  11.496   6.857
  113    HA   PRO  13           HA       PRO  13  -2.311   5.616   3.888
  114   1HB   PRO  13          2HB       PRO  13  -0.739   4.166   2.191
  115   2HB   PRO  13          1HB       PRO  13  -1.675   5.580   1.670
  116   1HG   PRO  13          2HG       PRO  13   1.222   5.309   2.137
  117   2HG   PRO  13          1HG       PRO  13   0.345   6.397   1.053
  118   1HD   PRO  13          2HD       PRO  13   1.459   7.057   3.548
  119   2HD   PRO  13          1HD       PRO  13   0.341   8.052   2.593
  120    H    SER  14           H        SER  14  -1.782   3.030   3.875
  121    HA   SER  14           HA       SER  14   0.460   2.238   5.580
  122   1HB   SER  14          2HB       SER  14  -0.861   1.752   7.549
  123   2HB   SER  14          1HB       SER  14  -1.192   3.418   7.084
  124    HG   SER  14           HG       SER  14  -3.142   2.413   7.435
  125    H    ALA  15           H        ALA  15   0.009   1.110   3.184
  126    HA   ALA  15           HA       ALA  15  -0.237  -0.961   2.150
  127   1HB   ALA  15          1HB       ALA  15  -1.265  -2.526   4.356
  128   2HB   ALA  15          2HB       ALA  15   0.051  -1.499   4.922
  129   3HB   ALA  15          3HB       ALA  15   0.318  -2.614   3.585
  130    H    PHE  16           H        PHE  16  -2.836  -1.348   4.598
  131    HA   PHE  16           HA       PHE  16  -4.840  -2.308   2.942
  132   1HB   PHE  16          2HB       PHE  16  -4.719  -1.851   5.481
  133   2HB   PHE  16          1HB       PHE  16  -5.345  -0.249   5.090
  134    HD1  PHE  16           1HD      PHE  16  -6.223  -3.622   5.803
  135    HD2  PHE  16           2HD      PHE  16  -7.464  -0.186   3.545
  136    HE1  PHE  16           1HE      PHE  16  -8.520  -4.546   5.659
  137    HE2  PHE  16           2HE      PHE  16  -9.761  -1.110   3.399
  138    HZ   PHE  16           HZ       PHE  16 -10.289  -3.291   4.456
  139    H    PHE  17           H        PHE  17  -4.340   1.161   3.699
  140    HA   PHE  17           HA       PHE  17  -6.382   2.226   2.033
  141   1HB   PHE  17          2HB       PHE  17  -4.852   3.321   3.804
  142   2HB   PHE  17          1HB       PHE  17  -3.676   3.494   2.501
  143    HD1  PHE  17           1HD      PHE  17  -7.133   4.370   3.561
  144    HD2  PHE  17           2HD      PHE  17  -3.921   5.171   0.823
  145    HE1  PHE  17           1HE      PHE  17  -8.323   6.392   2.756
  146    HE2  PHE  17           2HE      PHE  17  -5.111   7.192   0.018
  147    HZ   PHE  17           HZ       PHE  17  -7.312   7.802   0.985
  148    H    LEU  18           H        LEU  18  -3.033   1.291   1.280
  149    HA   LEU  18           HA       LEU  18  -2.992   2.333  -1.411
  150   1HB   LEU  18          2HB       LEU  18  -1.422   0.028  -0.207
  151   2HB   LEU  18          1HB       LEU  18  -0.944   1.019  -1.580
  152    HG   LEU  18           HG       LEU  18  -1.205   1.920   1.308
  153   1HD1  LEU  18          1HD1      LEU  18   1.185   2.268   1.168
  154   2HD1  LEU  18          2HD1      LEU  18   1.185   1.868  -0.549
  155   3HD1  LEU  18          3HD1      LEU  18   0.834   0.620   0.646
  156   1HD2  LEU  18          1HD2      LEU  18  -0.137   4.060   0.216
  157   2HD2  LEU  18          2HD2      LEU  18  -1.884   3.836   0.120
  158   3HD2  LEU  18          3HD2      LEU  18  -0.868   3.449  -1.269
  159    H    PHE  19           H        PHE  19  -3.809  -0.841  -0.020
  160    HA   PHE  19           HA       PHE  19  -4.128  -2.202  -2.557
  161   1HB   PHE  19          2HB       PHE  19  -3.669  -3.233  -0.315
  162   2HB   PHE  19          1HB       PHE  19  -5.311  -2.810   0.170
  163    HD1  PHE  19           1HD      PHE  19  -3.283  -4.876  -2.139
  164    HD2  PHE  19           2HD      PHE  19  -7.222  -4.028  -0.650
  165    HE1  PHE  19           1HE      PHE  19  -4.136  -6.937  -3.224
  166    HE2  PHE  19           2HE      PHE  19  -8.074  -6.089  -1.735
  167    HZ   PHE  19           HZ       PHE  19  -6.531  -7.543  -3.021
  168    H    CYS  20           H        CYS  20  -6.529  -0.992  -0.182
  169    HA   CYS  20           HA       CYS  20  -8.877  -1.561  -1.662
  170   1HB   CYS  20          2HB       CYS  20  -8.637  -0.813   0.738
  171   2HB   CYS  20          1HB       CYS  20  -8.355   0.823   0.141
  172    HG   CYS  20           HG       CYS  20 -10.865   0.871   0.365
  173    H    SER  21           H        SER  21  -7.105   1.555  -1.509
  174    HA   SER  21           HA       SER  21  -8.633   2.987  -3.414
  175   1HB   SER  21          2HB       SER  21  -6.814   3.796  -1.842
  176   2HB   SER  21          1HB       SER  21  -5.637   3.150  -2.981
  177    HG   SER  21           HG       SER  21  -7.614   5.132  -3.470
  178    H    GLU  22           H        GLU  22  -6.114   0.565  -3.904
  179    HA   GLU  22           HA       GLU  22  -5.931   1.124  -6.801
  180   1HB   GLU  22          2HB       GLU  22  -4.557  -0.537  -4.748
  181   2HB   GLU  22          1HB       GLU  22  -4.422  -1.045  -6.428
  182   1HG   GLU  22          2HG       GLU  22  -3.801   1.753  -5.441
  183   2HG   GLU  22          1HG       GLU  22  -2.584   0.505  -5.709
  184    H    TYR  23           H        TYR  23  -7.460  -1.184  -4.621
  185    HA   TYR  23           HA       TYR  23  -8.221  -2.969  -6.868
  186   1HB   TYR  23          2HB       TYR  23  -8.157  -3.025  -3.887
  187   2HB   TYR  23          1HB       TYR  23  -9.347  -4.054  -4.683
  188    HD1  TYR  23           1HD      TYR  23  -5.717  -3.141  -4.796
  189    HD2  TYR  23           2HD      TYR  23  -8.702  -6.134  -5.556
  190    HE1  TYR  23           1HE      TYR  23  -3.936  -4.777  -5.347
  191    HE2  TYR  23           2HE      TYR  23  -6.921  -7.771  -6.106
  192    HH   TYR  23           HH       TYR  23  -4.542  -8.121  -5.642
  193    H    ARG  24           H        ARG  24  -9.423  -0.102  -6.082
  194    HA   ARG  24           HA       ARG  24 -12.243  -0.807  -5.681
  195   1HB   ARG  24          2HB       ARG  24 -10.533   1.626  -5.684
  196   2HB   ARG  24          1HB       ARG  24 -12.248   1.829  -6.040
  197   1HG   ARG  24          2HG       ARG  24 -12.903   0.847  -3.965
  198   2HG   ARG  24          1HG       ARG  24 -11.267   0.269  -3.645
  199   1HD   ARG  24          2HD       ARG  24 -11.171   2.187  -2.364
  200   2HD   ARG  24          1HD       ARG  24 -10.789   2.937  -3.927
  201    HE   ARG  24           HE       ARG  24 -13.313   3.279  -4.163
  202   1HH1  ARG  24          1HH2      ARG  24 -13.512   1.771  -1.392
  203   2HH1  ARG  24          2HH2      ARG  24 -13.960   3.107  -0.384
  204   1HH2  ARG  24          1HH1      ARG  24 -13.140   5.507  -2.748
  205   2HH2  ARG  24          2HH1      ARG  24 -13.748   5.223  -1.152
  206    HA   PRO  25           HA       PRO  25 -12.502   1.231 -10.054
  207   1HB   PRO  25          2HB       PRO  25 -10.298   1.004 -11.667
  208   2HB   PRO  25          1HB       PRO  25 -10.649   2.431 -10.673
  209   1HG   PRO  25          2HG       PRO  25  -8.784   0.174 -10.152
  210   2HG   PRO  25          1HG       PRO  25  -8.578   1.905  -9.840
  211   1HD   PRO  25          2HD       PRO  25  -9.194   0.132  -7.919
  212   2HD   PRO  25          1HD       PRO  25  -9.735   1.820  -7.852
  213    H    LYS  26           H        LYS  26 -10.844  -1.694  -9.229
  214    HA   LYS  26           HA       LYS  26 -11.402  -3.196 -11.659
  215   1HB   LYS  26          2HB       LYS  26  -9.693  -3.682  -9.828
  216   2HB   LYS  26          1HB       LYS  26 -11.052  -4.155  -8.803
  217   1HG   LYS  26          2HG       LYS  26 -10.744  -5.370 -11.537
  218   2HG   LYS  26          1HG       LYS  26  -9.798  -5.997 -10.187
  219   1HD   LYS  26          2HD       LYS  26 -12.093  -6.034  -8.929
  220   2HD   LYS  26          1HD       LYS  26 -12.782  -5.983 -10.553
  221   1HE   LYS  26          2HE       LYS  26 -11.423  -7.988 -11.165
  222   2HE   LYS  26          1HE       LYS  26 -10.847  -8.070  -9.488
  223   1HZ   LYS  26          1HZ       LYS  26 -13.115  -8.205  -8.721
  224   2HZ   LYS  26          2HZ       LYS  26 -12.833  -9.447  -9.846
  225   3HZ   LYS  26          3HZ       LYS  26 -13.705  -8.062 -10.305
  226    H    ILE  27           H        ILE  27 -12.863  -3.027  -8.418
  227    HA   ILE  27           HA       ILE  27 -15.085  -4.726  -8.747
  228    HB   ILE  27           HB       ILE  27 -14.969  -2.078  -7.258
  229   1HG1  ILE  27          2HG1      ILE  27 -13.029  -3.292  -6.528
  230   2HG1  ILE  27          1HG1      ILE  27 -14.252  -3.520  -5.292
  231   1HG2  ILE  27          1HG2      ILE  27 -17.191  -2.984  -7.279
  232   2HG2  ILE  27          2HG2      ILE  27 -16.508  -3.288  -5.682
  233   3HG2  ILE  27          3HG2      ILE  27 -16.599  -4.593  -6.866
  234   1HD1  ILE  27          1HD1      ILE  27 -13.383  -5.679  -5.617
  235   2HD1  ILE  27          2HD1      ILE  27 -13.301  -5.480  -7.368
  236   3HD1  ILE  27          3HD1      ILE  27 -14.865  -5.677  -6.575
  237    H    LYS  28           H        LYS  28 -14.649  -1.363  -9.712
  238    HA   LYS  28           HA       LYS  28 -17.421  -0.842 -10.312
  239   1HB   LYS  28          2HB       LYS  28 -15.196   0.620 -11.710
  240   2HB   LYS  28          1HB       LYS  28 -16.686   1.251 -11.027
  241   1HG   LYS  28          2HG       LYS  28 -14.139   0.517  -9.619
  242   2HG   LYS  28          1HG       LYS  28 -14.949   2.064  -9.632
  243   1HD   LYS  28          2HD       LYS  28 -15.858  -0.452  -8.194
  244   2HD   LYS  28          1HD       LYS  28 -15.262   1.032  -7.463
  245   1HE   LYS  28          2HE       LYS  28 -17.731   0.970  -9.232
  246   2HE   LYS  28          1HE       LYS  28 -17.800   0.810  -7.465
  247   1HZ   LYS  28          1HZ       LYS  28 -17.976   3.121  -8.008
  248   2HZ   LYS  28          2HZ       LYS  28 -16.607   3.050  -9.012
  249   3HZ   LYS  28          3HZ       LYS  28 -16.442   2.862  -7.331
  250    H    SER  29           H        SER  29 -14.682  -1.945 -12.289
  251    HA   SER  29           HA       SER  29 -15.869  -1.758 -14.862
  252   1HB   SER  29          2HB       SER  29 -13.485  -2.268 -14.287
  253   2HB   SER  29          1HB       SER  29 -13.986  -3.880 -13.782
  254    HG   SER  29           HG       SER  29 -13.251  -3.807 -15.964
  255    H    GLU  30           H        GLU  30 -16.453  -4.043 -12.268
  256    HA   GLU  30           HA       GLU  30 -18.201  -5.657 -14.098
  257   1HB   GLU  30          2HB       GLU  30 -16.193  -6.267 -12.048
  258   2HB   GLU  30          1HB       GLU  30 -17.704  -7.136 -11.790
  259   1HG   GLU  30          2HG       GLU  30 -16.458  -7.037 -14.530
  260   2HG   GLU  30          1HG       GLU  30 -15.900  -8.210 -13.336
  261    H    HIS  31           H        HIS  31 -18.067  -3.775 -11.149
  262    HA   HIS  31           HA       HIS  31 -20.945  -4.447 -10.618
  263   1HB   HIS  31          2HB       HIS  31 -18.845  -3.478  -8.649
  264   2HB   HIS  31          1HB       HIS  31 -20.452  -4.082  -8.269
  265    HD1  HIS  31           1HD      HIS  31 -17.000  -5.188  -9.081
  266    HD2  HIS  31           2HD      HIS  31 -20.745  -6.949  -8.584
  267    HE1  HIS  31           1HE      HIS  31 -16.598  -7.677  -8.888
  268    HA   PRO  32           HA       PRO  32 -20.854  -0.008 -11.689
  269   1HB   PRO  32          2HB       PRO  32 -23.394   0.087 -12.696
  270   2HB   PRO  32          1HB       PRO  32 -21.994  -0.428 -13.648
  271   1HG   PRO  32          2HG       PRO  32 -24.120  -2.057 -12.390
  272   2HG   PRO  32          1HG       PRO  32 -23.225  -2.327 -13.893
  273   1HD   PRO  32          2HD       PRO  32 -22.736  -3.625 -11.507
  274   2HD   PRO  32          1HD       PRO  32 -21.577  -3.473 -12.845
  275    H    GLY  33           H        GLY  33 -23.252  -1.904  -9.950
  276   1HA   GLY  33          2HA       GLY  33 -24.438   0.453  -8.661
  277   2HA   GLY  33          1HA       GLY  33 -24.872  -1.226  -8.360
  278    H    LEU  34           H        LEU  34 -21.704  -1.535  -8.098
  279    HA   LEU  34           HA       LEU  34 -21.610  -1.684  -5.252
  280   1HB   LEU  34          2HB       LEU  34 -19.927  -2.146  -7.547
  281   2HB   LEU  34          1HB       LEU  34 -18.988  -1.303  -6.322
  282    HG   LEU  34           HG       LEU  34 -18.873  -3.784  -6.089
  283   1HD1  LEU  34          1HD1      LEU  34 -19.850  -1.925  -3.999
  284   2HD1  LEU  34          2HD1      LEU  34 -18.399  -2.927  -4.034
  285   3HD1  LEU  34          3HD1      LEU  34 -19.953  -3.642  -3.607
  286   1HD2  LEU  34          1HD2      LEU  34 -20.718  -5.109  -6.001
  287   2HD2  LEU  34          2HD2      LEU  34 -21.576  -3.721  -6.667
  288   3HD2  LEU  34          3HD2      LEU  34 -21.572  -4.002  -4.927
  289    H    SER  35           H        SER  35 -22.459   0.457  -4.597
  290    HA   SER  35           HA       SER  35 -21.029   2.916  -5.188
  291   1HB   SER  35          2HB       SER  35 -22.510   3.779  -3.367
  292   2HB   SER  35          1HB       SER  35 -23.399   2.831  -4.557
  293    HG   SER  35           HG       SER  35 -23.945   2.181  -2.460
  294    H    ILE  36           H        ILE  36 -20.066   4.231  -3.273
  295    HA   ILE  36           HA       ILE  36 -17.760   2.991  -2.220
  296    HB   ILE  36           HB       ILE  36 -19.392   5.406  -1.398
  297   1HG1  ILE  36          2HG1      ILE  36 -16.994   6.313  -2.264
  298   2HG1  ILE  36          1HG1      ILE  36 -17.073   4.801  -3.166
  299   1HG2  ILE  36          1HG2      ILE  36 -17.214   6.049  -0.154
  300   2HG2  ILE  36          2HG2      ILE  36 -16.825   4.329  -0.210
  301   3HG2  ILE  36          3HG2      ILE  36 -18.272   4.878   0.636
  302   1HD1  ILE  36          1HD1      ILE  36 -19.486   6.574  -3.123
  303   2HD1  ILE  36          2HD1      ILE  36 -18.938   5.460  -4.377
  304   3HD1  ILE  36          3HD1      ILE  36 -18.129   7.013  -4.162
  305    H    GLY  37           H        GLY  37 -21.045   3.045  -0.966
  306   1HA   GLY  37          2HA       GLY  37 -20.527   2.264   1.727
  307   2HA   GLY  37          1HA       GLY  37 -22.022   1.924   0.851
  308    H    ASP  38           H        ASP  38 -21.825   0.083  -0.789
  309    HA   ASP  38           HA       ASP  38 -20.935  -2.316   0.534
  310   1HB   ASP  38          2HB       ASP  38 -22.771  -1.860  -1.262
  311   2HB   ASP  38          1HB       ASP  38 -21.456  -2.041  -2.424
  312    H    THR  39           H        THR  39 -19.415  -0.151  -1.766
  313    HA   THR  39           HA       THR  39 -17.331  -1.922  -2.695
  314    HB   THR  39           HB       THR  39 -17.613   1.086  -2.504
  315    HG1  THR  39           1HG      THR  39 -17.878  -0.766  -4.628
  316   1HG2  THR  39          1HG2      THR  39 -15.253   0.684  -2.672
  317   2HG2  THR  39          2HG2      THR  39 -15.812   1.086  -4.296
  318   3HG2  THR  39          3HG2      THR  39 -15.497  -0.595  -3.864
  319    H    ALA  40           H        ALA  40 -17.739   0.056   0.179
  320    HA   ALA  40           HA       ALA  40 -14.938  -0.025   0.996
  321   1HB   ALA  40          1HB       ALA  40 -16.446   1.757   1.703
  322   2HB   ALA  40          2HB       ALA  40 -15.953   0.846   3.130
  323   3HB   ALA  40          3HB       ALA  40 -17.548   0.584   2.425
  324    H    LYS  41           H        LYS  41 -17.912  -1.730   2.012
  325    HA   LYS  41           HA       LYS  41 -16.449  -3.516   3.802
  326   1HB   LYS  41          2HB       LYS  41 -18.676  -4.432   4.214
  327   2HB   LYS  41          1HB       LYS  41 -18.761  -2.674   4.186
  328   1HG   LYS  41          2HG       LYS  41 -19.339  -2.983   1.658
  329   2HG   LYS  41          1HG       LYS  41 -19.717  -4.641   2.118
  330   1HD   LYS  41          2HD       LYS  41 -21.765  -3.406   2.302
  331   2HD   LYS  41          1HD       LYS  41 -21.194  -3.682   3.947
  332   1HE   LYS  41          2HE       LYS  41 -19.952  -1.290   3.294
  333   2HE   LYS  41          1HE       LYS  41 -21.535  -1.144   2.503
  334   1HZ   LYS  41          1HZ       LYS  41 -22.583  -1.886   4.565
  335   2HZ   LYS  41          2HZ       LYS  41 -21.694  -0.459   4.810
  336   3HZ   LYS  41          3HZ       LYS  41 -21.069  -1.952   5.326
  337    H    LYS  42           H        LYS  42 -17.234  -3.566   0.413
  338    HA   LYS  42           HA       LYS  42 -17.265  -6.469   0.107
  339   1HB   LYS  42          2HB       LYS  42 -18.401  -4.905  -1.436
  340   2HB   LYS  42          1HB       LYS  42 -16.847  -4.189  -1.859
  341   1HG   LYS  42          2HG       LYS  42 -17.539  -5.807  -3.571
  342   2HG   LYS  42          1HG       LYS  42 -16.092  -6.380  -2.740
  343   1HD   LYS  42          2HD       LYS  42 -17.187  -8.132  -1.758
  344   2HD   LYS  42          1HD       LYS  42 -18.674  -7.211  -1.535
  345   1HE   LYS  42          2HE       LYS  42 -19.525  -7.850  -3.567
  346   2HE   LYS  42          1HE       LYS  42 -17.934  -7.822  -4.354
  347   1HZ   LYS  42          1HZ       LYS  42 -17.325  -9.811  -3.133
  348   2HZ   LYS  42          2HZ       LYS  42 -18.727 -10.099  -4.048
  349   3HZ   LYS  42          3HZ       LYS  42 -18.840  -9.844  -2.372
  350    H    LEU  43           H        LEU  43 -14.920  -3.973  -0.970
  351    HA   LEU  43           HA       LEU  43 -12.800  -5.557  -1.811
  352   1HB   LEU  43          2HB       LEU  43 -12.854  -2.966  -0.243
  353   2HB   LEU  43          1HB       LEU  43 -11.397  -3.595  -1.013
  354    HG   LEU  43           HG       LEU  43 -13.963  -3.222  -2.559
  355   1HD1  LEU  43          1HD1      LEU  43 -13.227  -1.028  -3.226
  356   2HD1  LEU  43          2HD1      LEU  43 -11.695  -1.222  -2.373
  357   3HD1  LEU  43          3HD1      LEU  43 -13.197  -1.066  -1.463
  358   1HD2  LEU  43          1HD2      LEU  43 -11.036  -3.307  -3.360
  359   2HD2  LEU  43          2HD2      LEU  43 -12.404  -3.175  -4.464
  360   3HD2  LEU  43          3HD2      LEU  43 -12.173  -4.646  -3.520
  361    H    GLY  44           H        GLY  44 -13.815  -5.011   1.518
  362   1HA   GLY  44          2HA       GLY  44 -11.408  -5.911   2.809
  363   2HA   GLY  44          1HA       GLY  44 -13.011  -5.885   3.546
  364    H    GLU  45           H        GLU  45 -14.277  -7.568   1.572
  365    HA   GLU  45           HA       GLU  45 -14.018 -10.138   2.660
  366   1HB   GLU  45          2HB       GLU  45 -15.628  -8.966   0.882
  367   2HB   GLU  45          1HB       GLU  45 -14.592  -9.819  -0.261
  368   1HG   GLU  45          2HG       GLU  45 -15.017 -11.938   0.980
  369   2HG   GLU  45          1HG       GLU  45 -16.134 -11.066   2.031
  370    H    MET  46           H        MET  46 -12.194  -8.725  -0.051
  371    HA   MET  46           HA       MET  46 -10.759 -11.223  -0.626
  372   1HB   MET  46          2HB       MET  46 -10.587  -8.343  -1.548
  373   2HB   MET  46          1HB       MET  46  -9.507  -9.598  -2.157
  374   1HG   MET  46          2HG       MET  46 -11.471 -10.915  -2.895
  375   2HG   MET  46          1HG       MET  46 -12.535  -9.630  -2.322
  376   1HE   MET  46          1HE       MET  46 -12.524 -10.595  -5.598
  377   2HE   MET  46          2HE       MET  46 -13.115  -8.964  -5.904
  378   3HE   MET  46          3HE       MET  46 -13.585  -9.802  -4.426
  379    H    TRP  47           H        TRP  47 -10.004  -8.078   0.873
  380    HA   TRP  47           HA       TRP  47  -7.261  -8.293   1.335
  381   1HB   TRP  47          2HB       TRP  47  -8.780  -6.380   1.868
  382   2HB   TRP  47          1HB       TRP  47  -9.358  -7.274   3.274
  383    HD1  TRP  47           HD       TRP  47  -8.110  -6.796   5.430
  384    HE1  TRP  47           1HE      TRP  47  -5.782  -5.883   6.059
  385    HE3  TRP  47           3HE      TRP  47  -6.072  -6.300   0.774
  386    HZ2  TRP  47           2HZ      TRP  47  -3.371  -5.054   4.757
  387    HZ3  TRP  47           3HZ      TRP  47  -3.762  -5.448   0.497
  388    HH2  TRP  47           HH       TRP  47  -2.410  -4.825   2.480
  389    H    SER  48           H        SER  48  -9.859  -9.953   3.127
  390    HA   SER  48           HA       SER  48  -7.918 -11.044   5.080
  391   1HB   SER  48          2HB       SER  48 -10.210 -10.164   5.654
  392   2HB   SER  48          1HB       SER  48 -10.897 -11.503   4.738
  393    HG   SER  48           HG       SER  48 -10.599 -11.818   7.078
  394    H    GLU  49           H        GLU  49  -9.629 -12.002   2.171
  395    HA   GLU  49           HA       GLU  49  -9.554 -14.852   2.490
  396   1HB   GLU  49          2HB       GLU  49  -9.726 -12.878   0.232
  397   2HB   GLU  49          1HB       GLU  49  -9.503 -14.587  -0.146
  398   1HG   GLU  49          2HG       GLU  49 -11.623 -13.788   1.823
  399   2HG   GLU  49          1HG       GLU  49 -11.937 -13.608   0.096
  400    H    GLN  50           H        GLN  50  -7.244 -12.560   1.026
  401    HA   GLN  50           HA       GLN  50  -5.331 -14.468   0.093
  402   1HB   GLN  50          2HB       GLN  50  -5.138 -11.593   1.035
  403   2HB   GLN  50          1HB       GLN  50  -3.802 -12.443   0.256
  404   1HG   GLN  50          2HG       GLN  50  -6.510 -12.395  -1.050
  405   2HG   GLN  50          1HG       GLN  50  -5.428 -11.012  -1.217
  406   1HE2  GLN  50          1HE2      GLN  50  -6.264 -13.846  -2.750
  407   2HE2  GLN  50          2HE2      GLN  50  -4.810 -14.161  -3.568
  408    H    SER  51           H        SER  51  -3.258 -15.026   1.061
  409    HA   SER  51           HA       SER  51  -3.439 -15.517   3.969
  410   1HB   SER  51          2HB       SER  51  -2.736 -17.210   2.239
  411   2HB   SER  51          1HB       SER  51  -1.311 -16.226   1.916
  412    HG   SER  51           HG       SER  51  -0.482 -17.327   3.506
  413    H    ALA  52           H        ALA  52  -0.431 -15.438   4.200
  414    HA   ALA  52           HA       ALA  52  -0.184 -12.600   4.926
  415   1HB   ALA  52          1HB       ALA  52   1.727 -14.957   5.072
  416   2HB   ALA  52          2HB       ALA  52   0.621 -14.455   6.351
  417   3HB   ALA  52          3HB       ALA  52   1.956 -13.406   5.879
  418    H    LYS  53           H        LYS  53  -0.486 -12.575   2.218
  419    HA   LYS  53           HA       LYS  53   2.287 -12.086   1.181
  420   1HB   LYS  53          2HB       LYS  53   0.655 -14.124   0.431
  421   2HB   LYS  53          1HB       LYS  53   0.121 -12.873  -0.693
  422   1HG   LYS  53          2HG       LYS  53   2.318 -12.596  -1.586
  423   2HG   LYS  53          1HG       LYS  53   3.042 -13.534  -0.280
  424   1HD   LYS  53          2HD       LYS  53   1.763 -15.534  -1.075
  425   2HD   LYS  53          1HD       LYS  53   1.202 -14.580  -2.449
  426   1HE   LYS  53          2HE       LYS  53   3.673 -14.135  -2.973
  427   2HE   LYS  53          1HE       LYS  53   4.040 -15.423  -1.809
  428   1HZ   LYS  53          1HZ       LYS  53   3.770 -16.339  -4.030
  429   2HZ   LYS  53          2HZ       LYS  53   2.218 -15.658  -4.148
  430   3HZ   LYS  53          3HZ       LYS  53   2.527 -16.884  -3.013
  431    H    ASP  54           H        ASP  54  -1.165 -11.220   1.003
  432    HA   ASP  54           HA       ASP  54  -1.010  -9.102  -0.878
  433   1HB   ASP  54          2HB       ASP  54  -3.117  -8.368   0.231
  434   2HB   ASP  54          1HB       ASP  54  -3.091 -10.108  -0.046
  435    H    LYS  55           H        LYS  55  -0.434  -9.068   2.653
  436    HA   LYS  55           HA       LYS  55   0.107  -6.160   2.586
  437   1HB   LYS  55          2HB       LYS  55  -1.217  -7.414   4.360
  438   2HB   LYS  55          1HB       LYS  55   0.313  -8.114   4.888
  439   1HG   LYS  55          2HG       LYS  55   1.191  -5.989   5.495
  440   2HG   LYS  55          1HG       LYS  55  -0.072  -5.129   4.615
  441   1HD   LYS  55          2HD       LYS  55  -1.741  -6.204   6.210
  442   2HD   LYS  55          1HD       LYS  55  -0.355  -6.719   7.173
  443   1HE   LYS  55          2HE       LYS  55  -0.825  -3.827   6.380
  444   2HE   LYS  55          1HE       LYS  55  -1.366  -4.517   7.923
  445   1HZ   LYS  55          1HZ       LYS  55   1.416  -4.506   6.876
  446   2HZ   LYS  55          2HZ       LYS  55   0.919  -5.296   8.295
  447   3HZ   LYS  55          3HZ       LYS  55   0.837  -3.602   8.188
  448    H    GLN  56           H        GLN  56   1.979  -8.289   1.322
  449    HA   GLN  56           HA       GLN  56   4.398  -7.873   3.009
  450   1HB   GLN  56          2HB       GLN  56   3.431  -9.832   1.050
  451   2HB   GLN  56          1HB       GLN  56   5.116  -9.388   0.800
  452   1HG   GLN  56          2HG       GLN  56   4.094 -10.079   3.550
  453   2HG   GLN  56          1HG       GLN  56   4.602 -11.343   2.429
  454   1HE2  GLN  56          1HE2      GLN  56   5.803  -9.690   4.971
  455   2HE2  GLN  56          2HE2      GLN  56   7.435  -9.566   4.522
  456    HA   PRO  57           HA       PRO  57   5.837  -5.795  -0.973
  457   1HB   PRO  57          2HB       PRO  57   4.308  -5.773  -3.218
  458   2HB   PRO  57          1HB       PRO  57   5.386  -7.122  -2.811
  459   1HG   PRO  57          2HG       PRO  57   2.459  -6.921  -2.608
  460   2HG   PRO  57          1HG       PRO  57   3.471  -8.338  -2.903
  461   1HD   PRO  57          2HD       PRO  57   2.259  -7.626  -0.482
  462   2HD   PRO  57          1HD       PRO  57   3.531  -8.842  -0.708
  463    H    TYR  58           H        TYR  58   2.337  -5.513  -0.551
  464    HA   TYR  58           HA       TYR  58   2.228  -2.703  -1.369
  465   1HB   TYR  58          2HB       TYR  58   0.410  -4.858  -0.414
  466   2HB   TYR  58          1HB       TYR  58  -0.133  -3.199  -0.161
  467    HD1  TYR  58           1HD      TYR  58   0.599  -5.796  -2.631
  468    HD2  TYR  58           2HD      TYR  58  -0.443  -1.665  -2.083
  469    HE1  TYR  58           1HE      TYR  58  -0.047  -5.642  -5.021
  470    HE2  TYR  58           2HE      TYR  58  -1.089  -1.510  -4.472
  471    HH   TYR  58           HH       TYR  58  -0.197  -3.203  -6.729
  472    H    GLU  59           H        GLU  59   3.393  -4.129   1.453
  473    HA   GLU  59           HA       GLU  59   2.263  -2.108   3.297
  474   1HB   GLU  59          2HB       GLU  59   3.341  -3.485   4.993
  475   2HB   GLU  59          1HB       GLU  59   2.510  -4.532   3.853
  476   1HG   GLU  59          2HG       GLU  59   4.501  -5.641   3.745
  477   2HG   GLU  59          1HG       GLU  59   4.979  -4.323   2.678
  478    H    GLN  60           H        GLN  60   5.204  -2.717   1.491
  479    HA   GLN  60           HA       GLN  60   6.871  -0.901   3.064
  480   1HB   GLN  60          2HB       GLN  60   8.480  -1.337   1.214
  481   2HB   GLN  60          1HB       GLN  60   7.794  -2.826   1.856
  482   1HG   GLN  60          2HG       GLN  60   6.429  -3.155  -0.014
  483   2HG   GLN  60          1HG       GLN  60   6.506  -1.462  -0.496
  484   1HE2  GLN  60          1HE2      GLN  60   7.356  -4.142  -1.873
  485   2HE2  GLN  60          2HE2      GLN  60   8.926  -3.809  -2.423
  486    H    LYS  61           H        LYS  61   4.684  -0.614   0.350
  487    HA   LYS  61           HA       LYS  61   5.669   1.786  -0.853
  488   1HB   LYS  61          2HB       LYS  61   3.956   0.270  -1.804
  489   2HB   LYS  61          1HB       LYS  61   2.838   0.731  -0.522
  490   1HG   LYS  61          2HG       LYS  61   2.687   2.973  -1.321
  491   2HG   LYS  61          1HG       LYS  61   4.074   2.760  -2.391
  492   1HD   LYS  61          2HD       LYS  61   2.759   1.040  -3.658
  493   2HD   LYS  61          1HD       LYS  61   1.362   1.431  -2.654
  494   1HE   LYS  61          2HE       LYS  61   1.273   3.682  -3.497
  495   2HE   LYS  61          1HE       LYS  61   2.853   3.511  -4.288
  496   1HZ   LYS  61          1HZ       LYS  61   0.448   1.871  -4.893
  497   2HZ   LYS  61          2HZ       LYS  61   1.960   1.749  -5.658
  498   3HZ   LYS  61          3HZ       LYS  61   1.018   3.149  -5.851
  499    H    ALA  62           H        ALA  62   3.316   1.288   1.797
  500    HA   ALA  62           HA       ALA  62   2.815   4.106   2.242
  501   1HB   ALA  62          1HB       ALA  62   2.127   2.931   4.563
  502   2HB   ALA  62          2HB       ALA  62   2.275   1.485   3.563
  503   3HB   ALA  62          3HB       ALA  62   1.148   2.763   3.106
  504    H    ALA  63           H        ALA  63   5.525   2.117   2.967
  505    HA   ALA  63           HA       ALA  63   6.344   3.634   5.364
  506   1HB   ALA  63          1HB       ALA  63   6.689   1.168   5.036
  507   2HB   ALA  63          2HB       ALA  63   8.191   2.039   5.348
  508   3HB   ALA  63          3HB       ALA  63   7.786   1.540   3.705
  509    H    LYS  64           H        LYS  64   6.259   4.491   2.203
  510    HA   LYS  64           HA       LYS  64   8.978   5.733   2.171
  511   1HB   LYS  64          2HB       LYS  64   6.920   4.968   0.088
  512   2HB   LYS  64          1HB       LYS  64   8.247   6.062  -0.294
  513   1HG   LYS  64          2HG       LYS  64   8.620   3.300   0.896
  514   2HG   LYS  64          1HG       LYS  64   8.741   3.654  -0.829
  515   1HD   LYS  64          2HD       LYS  64  10.488   5.411  -0.211
  516   2HD   LYS  64          1HD       LYS  64  10.498   4.697   1.403
  517   1HE   LYS  64          2HE       LYS  64  11.304   2.604   0.590
  518   2HE   LYS  64          1HE       LYS  64  10.935   3.033  -1.093
  519   1HZ   LYS  64          1HZ       LYS  64  12.532   4.811  -0.991
  520   2HZ   LYS  64          2HZ       LYS  64  13.300   3.365  -0.537
  521   3HZ   LYS  64          3HZ       LYS  64  12.849   4.499   0.645
  522    H    LEU  65           H        LEU  65   5.516   6.296   1.957
  523    HA   LEU  65           HA       LEU  65   5.745   9.192   1.549
  524   1HB   LEU  65          2HB       LEU  65   3.602   7.125   1.954
  525   2HB   LEU  65          1HB       LEU  65   3.187   8.827   2.140
  526    HG   LEU  65           HG       LEU  65   4.405   9.128  -0.148
  527   1HD1  LEU  65          1HD1      LEU  65   4.032   6.988  -1.536
  528   2HD1  LEU  65          2HD1      LEU  65   3.942   6.146   0.012
  529   3HD1  LEU  65          3HD1      LEU  65   5.416   7.001  -0.444
  530   1HD2  LEU  65          1HD2      LEU  65   1.728   7.739   0.175
  531   2HD2  LEU  65          2HD2      LEU  65   2.277   8.457  -1.340
  532   3HD2  LEU  65          3HD2      LEU  65   2.021   9.476   0.077
  533    H    LYS  66           H        LYS  66   6.194   7.174   4.227
  534    HA   LYS  66           HA       LYS  66   4.910   8.850   6.254
  535   1HB   LYS  66          2HB       LYS  66   5.191   6.406   6.482
  536   2HB   LYS  66          1HB       LYS  66   6.941   6.590   6.373
  537   1HG   LYS  66          2HG       LYS  66   6.762   6.590   8.661
  538   2HG   LYS  66          1HG       LYS  66   6.463   8.308   8.391
  539   1HD   LYS  66          2HD       LYS  66   4.697   7.569   9.818
  540   2HD   LYS  66          1HD       LYS  66   3.983   7.702   8.211
  541   1HE   LYS  66          2HE       LYS  66   4.647   5.180   7.969
  542   2HE   LYS  66          1HE       LYS  66   4.726   5.214   9.743
  543   1HZ   LYS  66          1HZ       LYS  66   2.514   6.230   9.763
  544   2HZ   LYS  66          2HZ       LYS  66   2.484   4.698   9.028
  545   3HZ   LYS  66          3HZ       LYS  66   2.431   6.103   8.074
  546    H    GLU  67           H        GLU  67   8.108   8.478   4.782
  547    HA   GLU  67           HA       GLU  67   9.563  10.067   6.721
  548   1HB   GLU  67          2HB       GLU  67   9.938   8.873   4.031
  549   2HB   GLU  67          1HB       GLU  67  10.952  10.277   4.373
  550   1HG   GLU  67          2HG       GLU  67  12.028   9.230   6.162
  551   2HG   GLU  67          1HG       GLU  67  10.706   8.092   6.422
  552    H    LYS  68           H        LYS  68   8.662  10.881   3.351
  553    HA   LYS  68           HA       LYS  68   9.155  13.655   3.467
  554   1HB   LYS  68          2HB       LYS  68   7.504  11.775   1.852
  555   2HB   LYS  68          1HB       LYS  68   7.141  13.492   1.677
  556   1HG   LYS  68          2HG       LYS  68   8.818  13.373   0.119
  557   2HG   LYS  68          1HG       LYS  68   9.833  13.604   1.543
  558   1HD   LYS  68          2HD       LYS  68  10.761  11.726   0.404
  559   2HD   LYS  68          1HD       LYS  68   9.857  11.053   1.761
  560   1HE   LYS  68          2HE       LYS  68   7.878  10.809   0.145
  561   2HE   LYS  68          1HE       LYS  68   9.041  11.134  -1.156
  562   1HZ   LYS  68          1HZ       LYS  68   8.902   8.757  -0.683
  563   2HZ   LYS  68          2HZ       LYS  68   9.329   9.040   0.936
  564   3HZ   LYS  68          3HZ       LYS  68  10.442   9.359  -0.306
  565    H    TYR  69           H        TYR  69   6.447  11.845   4.763
  566    HA   TYR  69           HA       TYR  69   4.666  14.151   5.029
  567   1HB   TYR  69          2HB       TYR  69   3.856  11.848   4.751
  568   2HB   TYR  69          1HB       TYR  69   4.680  11.358   6.229
  569    HD1  TYR  69           1HD      TYR  69   2.535  14.312   5.328
  570    HD2  TYR  69           2HD      TYR  69   3.140  10.948   7.928
  571    HE1  TYR  69           1HE      TYR  69   0.555  14.986   6.659
  572    HE2  TYR  69           2HE      TYR  69   1.160  11.623   9.261
  573    HH   TYR  69           HH       TYR  69  -1.055  13.061   8.660
  574    H    GLU  70           H        GLU  70   5.974  12.018   7.583
  575    HA   GLU  70           HA       GLU  70   5.652  13.905   9.703
  576   1HB   GLU  70          2HB       GLU  70   7.415  11.472   9.325
  577   2HB   GLU  70          1HB       GLU  70   7.216  12.293  10.875
  578   1HG   GLU  70          2HG       GLU  70   4.713  11.976  10.602
  579   2HG   GLU  70          1HG       GLU  70   5.073  10.926   9.231
  580    H    LYS  71           H        LYS  71   8.077  13.798   7.233
  581    HA   LYS  71           HA       LYS  71  10.048  15.286   8.893
  582   1HB   LYS  71          2HB       LYS  71  10.495  13.292   7.300
  583   2HB   LYS  71          1HB       LYS  71  10.295  14.465   6.000
  584   1HG   LYS  71          2HG       LYS  71  12.170  15.714   6.668
  585   2HG   LYS  71          1HG       LYS  71  12.157  15.036   8.297
  586   1HD   LYS  71          2HD       LYS  71  12.807  12.836   7.393
  587   2HD   LYS  71          1HD       LYS  71  12.817  13.507   5.762
  588   1HE   LYS  71          2HE       LYS  71  14.837  14.532   6.070
  589   2HE   LYS  71          1HE       LYS  71  14.445  15.009   7.734
  590   1HZ   LYS  71          1HZ       LYS  71  15.083  12.245   6.844
  591   2HZ   LYS  71          2HZ       LYS  71  14.720  12.722   8.434
  592   3HZ   LYS  71          3HZ       LYS  71  16.145  13.268   7.683
  593    H    ASP  72           H        ASP  72   7.768  15.759   6.255
  594    HA   ASP  72           HA       ASP  72   8.798  18.529   5.807
  595   1HB   ASP  72          2HB       ASP  72   8.401  16.747   3.981
  596   2HB   ASP  72          1HB       ASP  72   6.684  17.056   4.235
  597    H    ILE  73           H        ILE  73   6.041  16.754   7.068
  598    HA   ILE  73           HA       ILE  73   4.116  18.900   6.926
  599    HB   ILE  73           HB       ILE  73   3.728  16.403   7.217
  600   1HG1  ILE  73          2HG1      ILE  73   1.916  16.895   9.098
  601   2HG1  ILE  73          1HG1      ILE  73   2.420  18.564   8.817
  602   1HG2  ILE  73          1HG2      ILE  73   3.906  15.396   9.369
  603   2HG2  ILE  73          2HG2      ILE  73   4.201  16.947  10.154
  604   3HG2  ILE  73          3HG2      ILE  73   5.438  16.233   9.119
  605   1HD1  ILE  73          1HD1      ILE  73   1.617  16.676   6.588
  606   2HD1  ILE  73          2HD1      ILE  73   1.875  18.417   6.477
  607   3HD1  ILE  73          3HD1      ILE  73   0.490  17.787   7.368
  608    H    ALA  74           H        ALA  74   6.621  18.045   9.249
  609    HA   ALA  74           HA       ALA  74   5.748  19.617  11.477
  610   1HB   ALA  74          1HB       ALA  74   8.096  19.390  12.170
  611   2HB   ALA  74          2HB       ALA  74   8.559  18.965  10.522
  612   3HB   ALA  74          3HB       ALA  74   7.540  17.875  11.460
  613    H    ALA  75           H        ALA  75   7.941  20.408   8.767
  614    HA   ALA  75           HA       ALA  75   8.200  23.210   9.601
  615   1HB   ALA  75          1HB       ALA  75   8.986  21.815   7.023
  616   2HB   ALA  75          2HB       ALA  75   9.968  21.801   8.488
  617   3HB   ALA  75          3HB       ALA  75   9.652  23.322   7.652
  618    H    TYR  76           H        TYR  76   6.062  21.359   7.560
  619    HA   TYR  76           HA       TYR  76   5.233  23.433   5.743
  620   1HB   TYR  76          2HB       TYR  76   4.876  20.968   5.497
  621   2HB   TYR  76          1HB       TYR  76   3.710  21.034   6.819
  622    HD1  TYR  76           1HD      TYR  76   4.463  22.500   3.461
  623    HD2  TYR  76           2HD      TYR  76   1.462  21.600   6.400
  624    HE1  TYR  76           1HE      TYR  76   2.693  23.185   1.863
  625    HE2  TYR  76           2HE      TYR  76  -0.308  22.285   4.803
  626    HH   TYR  76           HH       TYR  76  -0.591  22.489   2.350
  627    H    ARG  77           H        ARG  77   4.159  22.468   8.985
  628    HA   ARG  77           HA       ARG  77   2.072  24.601   8.961
  629   1HB   ARG  77          2HB       ARG  77   2.708  22.223  10.724
  630   2HB   ARG  77          1HB       ARG  77   1.452  23.395  11.126
  631   1HG   ARG  77          2HG       ARG  77   0.218  22.887   9.131
  632   2HG   ARG  77          1HG       ARG  77   1.550  21.932   8.479
  633   1HD   ARG  77          2HD       ARG  77   1.218  20.182  10.059
  634   2HD   ARG  77          1HD       ARG  77   0.186  21.201  11.083
  635    HE   ARG  77           HE       ARG  77  -0.703  20.692   8.294
  636   1HH1  ARG  77          1HH1      ARG  77  -2.423  21.891  10.485
  637   2HH1  ARG  77          2HH1      ARG  77  -3.409  20.537  10.926
  638   1HH2  ARG  77          1HH2      ARG  77  -1.364  18.204   9.377
  639   2HH2  ARG  77          2HH2      ARG  77  -2.810  18.450  10.299
  640    H    ALA  78           H        ALA  78   5.274  24.626   9.559
  641    HA   ALA  78           HA       ALA  78   6.700  25.884  10.955
  642   1HB   ALA  78          1HB       ALA  78   5.888  28.081  11.331
  643   2HB   ALA  78          2HB       ALA  78   4.226  27.524  11.517
  644   3HB   ALA  78          3HB       ALA  78   4.982  27.525   9.924
  645    H    LYS  79           H        LYS  79   6.753  24.048  12.526
  646    HA   LYS  79           HA       LYS  79   5.307  24.709  15.072
  647   1HB   LYS  79          2HB       LYS  79   5.588  22.270  13.455
  648   2HB   LYS  79          1HB       LYS  79   5.932  22.017  15.165
  649   1HG   LYS  79          2HG       LYS  79   3.764  23.150  15.712
  650   2HG   LYS  79          1HG       LYS  79   3.412  23.221  13.985
  651   1HD   LYS  79          2HD       LYS  79   3.376  20.831  13.803
  652   2HD   LYS  79          1HD       LYS  79   4.046  20.635  15.423
  653   1HE   LYS  79          2HE       LYS  79   1.468  22.148  15.124
  654   2HE   LYS  79          1HE       LYS  79   1.436  20.374  15.043
  655   1HZ   LYS  79          1HZ       LYS  79   2.706  21.992  17.190
  656   2HZ   LYS  79          2HZ       LYS  79   2.719  20.296  17.096
  657   3HZ   LYS  79          3HZ       LYS  79   1.255  21.125  17.336
  Start of MODEL   16
    1   1H    MET   1          1HT       MET   1 -15.577  16.370   1.424
    2   2H    MET   1          2HT       MET   1 -16.121  15.028   0.534
    3   3H    MET   1          3HT       MET   1 -16.695  16.584   0.167
    4    HA   MET   1           HA       MET   1 -15.094  16.084  -1.493
    5   1HB   MET   1          2HB       MET   1 -15.147  18.306  -0.159
    6   2HB   MET   1          1HB       MET   1 -13.666  17.725   0.603
    7   1HG   MET   1          2HG       MET   1 -12.469  17.738  -1.422
    8   2HG   MET   1          1HG       MET   1 -13.939  17.739  -2.396
    9   1HE   MET   1          1HE       MET   1 -13.429  21.128  -3.630
   10   2HE   MET   1          2HE       MET   1 -14.047  19.491  -3.832
   11   3HE   MET   1          3HE       MET   1 -12.314  19.755  -3.667
   12    H    LYS   2           H        LYS   2 -13.783  15.568   1.788
   13    HA   LYS   2           HA       LYS   2 -12.019  14.195   2.556
   14   1HB   LYS   2          2HB       LYS   2 -13.460  12.812   0.371
   15   2HB   LYS   2          1HB       LYS   2 -11.883  12.134   0.780
   16   1HG   LYS   2          2HG       LYS   2 -12.979  12.610   3.272
   17   2HG   LYS   2          1HG       LYS   2 -14.385  12.125   2.328
   18   1HD   LYS   2          2HD       LYS   2 -12.797  10.206   1.480
   19   2HD   LYS   2          1HD       LYS   2 -11.898  10.573   2.953
   20   1HE   LYS   2          2HE       LYS   2 -14.806  10.364   3.380
   21   2HE   LYS   2          1HE       LYS   2 -14.048   8.862   2.817
   22   1HZ   LYS   2          1HZ       LYS   2 -12.341   9.121   4.506
   23   2HZ   LYS   2          2HZ       LYS   2 -13.877   9.072   5.229
   24   3HZ   LYS   2          3HZ       LYS   2 -13.064  10.553   5.055
   25    H    LYS   3           H        LYS   3 -10.047  12.762   1.343
   26    HA   LYS   3           HA       LYS   3  -7.929  13.020   0.337
   27   1HB   LYS   3          2HB       LYS   3 -10.032  13.562  -1.524
   28   2HB   LYS   3          1HB       LYS   3  -8.702  14.658  -1.890
   29   1HG   LYS   3          2HG       LYS   3  -8.104  11.764  -1.365
   30   2HG   LYS   3          1HG       LYS   3  -8.746  12.235  -2.938
   31   1HD   LYS   3          2HD       LYS   3  -6.919  13.950  -3.101
   32   2HD   LYS   3          1HD       LYS   3  -6.232  13.290  -1.616
   33   1HE   LYS   3          2HE       LYS   3  -5.796  11.168  -2.647
   34   2HE   LYS   3          1HE       LYS   3  -6.776  11.585  -4.067
   35   1HZ   LYS   3          1HZ       LYS   3  -5.268  13.445  -4.494
   36   2HZ   LYS   3          2HZ       LYS   3  -4.441  11.961  -4.533
   37   3HZ   LYS   3          3HZ       LYS   3  -4.304  12.978  -3.179
   38    H    LYS   4           H        LYS   4  -6.800  15.136  -1.100
   39    HA   LYS   4           HA       LYS   4  -7.256  17.701   0.153
   40   1HB   LYS   4          2HB       LYS   4  -5.833  15.788   1.627
   41   2HB   LYS   4          1HB       LYS   4  -4.581  16.824   0.945
   42   1HG   LYS   4          2HG       LYS   4  -5.701  18.810   1.851
   43   2HG   LYS   4          1HG       LYS   4  -7.001  17.804   2.490
   44   1HD   LYS   4          2HD       LYS   4  -5.321  16.579   3.872
   45   2HD   LYS   4          1HD       LYS   4  -4.081  17.694   3.298
   46   1HE   LYS   4          2HE       LYS   4  -5.009  19.523   4.453
   47   2HE   LYS   4          1HE       LYS   4  -6.600  18.749   4.586
   48   1HZ   LYS   4          1HZ       LYS   4  -4.101  17.786   5.878
   49   2HZ   LYS   4          2HZ       LYS   4  -5.629  17.051   5.998
   50   3HZ   LYS   4          3HZ       LYS   4  -5.367  18.588   6.673
   51    H    ASP   5           H        ASP   5  -4.508  18.583  -0.073
   52    HA   ASP   5           HA       ASP   5  -4.360  19.224  -2.862
   53   1HB   ASP   5          2HB       ASP   5  -2.687  19.489  -0.409
   54   2HB   ASP   5          1HB       ASP   5  -1.876  19.732  -1.957
   55    HA   PRO   6           HA       PRO   6  -2.301  15.651  -4.454
   56   1HB   PRO   6          2HB       PRO   6  -0.965  16.731  -6.582
   57   2HB   PRO   6          1HB       PRO   6  -2.720  16.471  -6.577
   58   1HG   PRO   6          2HG       PRO   6  -1.178  18.974  -6.146
   59   2HG   PRO   6          1HG       PRO   6  -2.715  18.724  -6.987
   60   1HD   PRO   6          2HD       PRO   6  -2.504  19.739  -4.453
   61   2HD   PRO   6          1HD       PRO   6  -3.937  18.887  -5.067
   62    H    ASN   7           H        ASN   7  -0.252  18.581  -4.294
   63    HA   ASN   7           HA       ASN   7   2.225  17.059  -4.033
   64   1HB   ASN   7          2HB       ASN   7   1.458  19.971  -3.675
   65   2HB   ASN   7          1HB       ASN   7   3.121  19.388  -3.614
   66   1HD2  ASN   7          1HD2      ASN   7   4.047  19.993  -5.589
   67   2HD2  ASN   7          2HD2      ASN   7   3.345  19.713  -7.109
   68    H    ALA   8           H        ALA   8  -0.161  18.326  -1.801
   69    HA   ALA   8           HA       ALA   8   1.591  18.315   0.543
   70   1HB   ALA   8          1HB       ALA   8  -1.433  18.191   0.461
   71   2HB   ALA   8          2HB       ALA   8  -0.556  19.673   0.082
   72   3HB   ALA   8          3HB       ALA   8  -0.411  18.948   1.683
   73    HA   PRO   9           HA       PRO   9   1.259  13.944   1.217
   74   1HB   PRO   9          2HB       PRO   9   1.891  13.827   3.877
   75   2HB   PRO   9          1HB       PRO   9   3.099  14.100   2.607
   76   1HG   PRO   9          2HG       PRO   9   1.794  16.053   4.431
   77   2HG   PRO   9          1HG       PRO   9   3.470  15.983   3.862
   78   1HD   PRO   9          2HD       PRO   9   1.603  17.689   2.835
   79   2HD   PRO   9          1HD       PRO   9   2.987  17.074   1.904
   80    H    LYS  10           H        LYS  10  -0.977  13.543   0.994
   81    HA   LYS  10           HA       LYS  10  -2.999  14.383   2.846
   82   1HB   LYS  10          2HB       LYS  10  -4.369  12.742   1.585
   83   2HB   LYS  10          1HB       LYS  10  -3.382  13.711   0.495
   84   1HG   LYS  10          2HG       LYS  10  -1.674  11.652   1.010
   85   2HG   LYS  10          1HG       LYS  10  -3.224  10.819   1.112
   86   1HD   LYS  10          2HD       LYS  10  -3.835  11.480  -1.104
   87   2HD   LYS  10          1HD       LYS  10  -2.503  12.633  -1.199
   88   1HE   LYS  10          2HE       LYS  10  -1.866   9.737  -0.701
   89   2HE   LYS  10          1HE       LYS  10  -2.251  10.268  -2.350
   90   1HZ   LYS  10          1HZ       LYS  10   0.118  10.528  -1.872
   91   2HZ   LYS  10          2HZ       LYS  10  -0.249  11.537  -0.556
   92   3HZ   LYS  10          3HZ       LYS  10  -0.620  12.031  -2.138
   93    H    ARG  11           H        ARG  11  -4.320  11.829   3.319
   94    HA   ARG  11           HA       ARG  11  -3.334  11.100   5.866
   95   1HB   ARG  11          2HB       ARG  11  -5.194  10.034   3.812
   96   2HB   ARG  11          1HB       ARG  11  -4.634   8.860   5.004
   97   1HG   ARG  11          2HG       ARG  11  -6.573   9.801   5.986
   98   2HG   ARG  11          1HG       ARG  11  -5.237  10.647   6.770
   99   1HD   ARG  11          2HD       ARG  11  -5.491  12.448   4.966
  100   2HD   ARG  11          1HD       ARG  11  -7.029  11.667   4.550
  101    HE   ARG  11           HE       ARG  11  -7.813  12.126   6.830
  102   1HH1  ARG  11          1HH1      ARG  11  -5.311  12.254   8.356
  103   2HH1  ARG  11          2HH1      ARG  11  -5.060  13.956   8.567
  104   1HH2  ARG  11          1HH2      ARG  11  -7.269  14.862   6.053
  105   2HH2  ARG  11          2HH2      ARG  11  -6.168  15.432   7.263
  106    HA   PRO  12           HA       PRO  12   0.180   8.627   4.822
  107   1HB   PRO  12          2HB       PRO  12   0.424   7.148   7.109
  108   2HB   PRO  12          1HB       PRO  12   0.884   8.859   7.007
  109   1HG   PRO  12          2HG       PRO  12  -1.562   7.622   8.153
  110   2HG   PRO  12          1HG       PRO  12  -0.631   9.018   8.708
  111   1HD   PRO  12          2HD       PRO  12  -2.991   9.203   7.334
  112   2HD   PRO  12          1HD       PRO  12  -1.742  10.467   7.344
  113    HA   PRO  13           HA       PRO  13  -2.020   4.916   3.556
  114   1HB   PRO  13          2HB       PRO  13  -0.197   4.043   1.718
  115   2HB   PRO  13          1HB       PRO  13  -1.335   5.363   1.393
  116   1HG   PRO  13          2HG       PRO  13   1.555   5.467   1.953
  117   2HG   PRO  13          1HG       PRO  13   0.540   6.577   1.026
  118   1HD   PRO  13          2HD       PRO  13   1.477   6.952   3.650
  119   2HD   PRO  13          1HD       PRO  13   0.243   7.920   2.820
  120    H    SER  14           H        SER  14  -1.313   2.486   3.383
  121    HA   SER  14           HA       SER  14   1.131   1.651   4.710
  122   1HB   SER  14          2HB       SER  14  -0.132   2.680   6.586
  123   2HB   SER  14          1HB       SER  14  -1.467   1.574   6.280
  124    HG   SER  14           HG       SER  14   0.769   1.173   7.692
  125    H    ALA  15           H        ALA  15   0.443   0.546   2.416
  126    HA   ALA  15           HA       ALA  15   0.098  -1.507   1.392
  127   1HB   ALA  15          1HB       ALA  15  -0.898  -3.007   3.687
  128   2HB   ALA  15          2HB       ALA  15   0.568  -2.115   4.091
  129   3HB   ALA  15          3HB       ALA  15   0.574  -3.256   2.747
  130    H    PHE  16           H        PHE  16  -2.405  -1.727   3.967
  131    HA   PHE  16           HA       PHE  16  -4.521  -2.645   2.435
  132   1HB   PHE  16          2HB       PHE  16  -4.332  -2.159   4.932
  133   2HB   PHE  16          1HB       PHE  16  -4.775  -0.495   4.547
  134    HD1  PHE  16           1HD      PHE  16  -7.020  -0.022   4.919
  135    HD2  PHE  16           2HD      PHE  16  -5.917  -3.900   3.438
  136    HE1  PHE  16           1HE      PHE  16  -9.414  -0.667   4.825
  137    HE2  PHE  16           2HE      PHE  16  -8.311  -4.545   3.345
  138    HZ   PHE  16           HZ       PHE  16 -10.057  -2.929   4.036
  139    H    PHE  17           H        PHE  17  -3.864   0.834   3.038
  140    HA   PHE  17           HA       PHE  17  -5.916   1.889   1.370
  141   1HB   PHE  17          2HB       PHE  17  -4.251   2.967   3.083
  142   2HB   PHE  17          1HB       PHE  17  -3.198   3.159   1.681
  143    HD1  PHE  17           1HD      PHE  17  -3.726   4.715  -0.092
  144    HD2  PHE  17           2HD      PHE  17  -6.453   4.096   3.169
  145    HE1  PHE  17           1HE      PHE  17  -5.013   6.718  -0.789
  146    HE2  PHE  17           2HE      PHE  17  -7.740   6.098   2.472
  147    HZ   PHE  17           HZ       PHE  17  -7.020   7.408   0.493
  148    H    LEU  18           H        LEU  18  -2.574   0.915   0.611
  149    HA   LEU  18           HA       LEU  18  -2.520   1.826  -2.108
  150   1HB   LEU  18          2HB       LEU  18  -1.106  -0.544  -0.832
  151   2HB   LEU  18          1HB       LEU  18  -0.586   0.324  -2.271
  152    HG   LEU  18           HG       LEU  18  -0.717   1.423   0.558
  153   1HD1  LEU  18          1HD1      LEU  18   1.808   1.805  -0.255
  154   2HD1  LEU  18          2HD1      LEU  18   1.420   0.396  -1.243
  155   3HD1  LEU  18          3HD1      LEU  18   1.286   0.307   0.514
  156   1HD2  LEU  18          1HD2      LEU  18   0.319   3.467  -0.485
  157   2HD2  LEU  18          2HD2      LEU  18  -1.346   3.194  -1.002
  158   3HD2  LEU  18          3HD2      LEU  18  -0.009   2.772  -2.073
  159    H    PHE  19           H        PHE  19  -3.418  -1.304  -0.650
  160    HA   PHE  19           HA       PHE  19  -3.959  -2.667  -3.137
  161   1HB   PHE  19          2HB       PHE  19  -3.486  -3.724  -0.927
  162   2HB   PHE  19          1HB       PHE  19  -5.032  -3.121  -0.331
  163    HD1  PHE  19           1HD      PHE  19  -3.467  -5.320  -2.897
  164    HD2  PHE  19           2HD      PHE  19  -7.066  -4.255  -0.808
  165    HE1  PHE  19           1HE      PHE  19  -4.610  -7.299  -3.859
  166    HE2  PHE  19           2HE      PHE  19  -8.209  -6.234  -1.772
  167    HZ   PHE  19           HZ       PHE  19  -6.982  -7.756  -3.297
  168    H    CYS  20           H        CYS  20  -6.151  -1.207  -0.706
  169    HA   CYS  20           HA       CYS  20  -8.613  -1.634  -2.032
  170   1HB   CYS  20          2HB       CYS  20  -7.476   0.223  -0.006
  171   2HB   CYS  20          1HB       CYS  20  -8.994   0.729  -0.746
  172    HG   CYS  20           HG       CYS  20  -9.329  -0.902   1.405
  173    H    SER  21           H        SER  21  -6.637   1.359  -2.115
  174    HA   SER  21           HA       SER  21  -8.139   2.779  -4.048
  175   1HB   SER  21          2HB       SER  21  -6.024   4.036  -4.345
  176   2HB   SER  21          1HB       SER  21  -6.327   3.692  -2.644
  177    HG   SER  21           HG       SER  21  -4.211   3.150  -3.112
  178    H    GLU  22           H        GLU  22  -5.738   0.221  -4.491
  179    HA   GLU  22           HA       GLU  22  -5.610   0.611  -7.408
  180   1HB   GLU  22          2HB       GLU  22  -4.332  -1.066  -5.308
  181   2HB   GLU  22          1HB       GLU  22  -4.278  -1.659  -6.965
  182   1HG   GLU  22          2HG       GLU  22  -3.406   1.119  -6.122
  183   2HG   GLU  22          1HG       GLU  22  -2.303  -0.237  -6.357
  184    H    TYR  23           H        TYR  23  -7.290  -1.462  -5.106
  185    HA   TYR  23           HA       TYR  23  -8.268  -3.225  -7.298
  186   1HB   TYR  23          2HB       TYR  23  -8.012  -3.309  -4.330
  187   2HB   TYR  23          1HB       TYR  23  -9.322  -4.244  -5.046
  188    HD1  TYR  23           1HD      TYR  23  -5.644  -3.623  -5.309
  189    HD2  TYR  23           2HD      TYR  23  -8.896  -6.327  -6.060
  190    HE1  TYR  23           1HE      TYR  23  -4.029  -5.379  -5.987
  191    HE2  TYR  23           2HE      TYR  23  -7.282  -8.083  -6.737
  192    HH   TYR  23           HH       TYR  23  -4.944  -8.184  -7.622
  193    H    ARG  24           H        ARG  24  -9.228  -0.290  -6.442
  194    HA   ARG  24           HA       ARG  24 -12.054  -0.806  -5.845
  195   1HB   ARG  24          2HB       ARG  24 -10.183   1.497  -5.973
  196   2HB   ARG  24          1HB       ARG  24 -11.890   1.831  -6.266
  197   1HG   ARG  24          2HG       ARG  24 -12.535   0.918  -4.151
  198   2HG   ARG  24          1HG       ARG  24 -10.929   0.242  -3.881
  199   1HD   ARG  24          2HD       ARG  24 -10.634   2.169  -2.654
  200   2HD   ARG  24          1HD       ARG  24 -10.311   2.883  -4.246
  201    HE   ARG  24           HE       ARG  24 -13.128   2.857  -3.885
  202   1HH1  ARG  24          1HH1      ARG  24 -11.347   5.262  -4.511
  203   2HH1  ARG  24          2HH1      ARG  24 -11.680   6.281  -3.151
  204   1HH2  ARG  24          1HH2      ARG  24 -13.112   3.747  -1.267
  205   2HH2  ARG  24          2HH2      ARG  24 -12.679   5.423  -1.314
  206    HA   PRO  25           HA       PRO  25 -12.497   1.208 -10.214
  207   1HB   PRO  25          2HB       PRO  25 -10.415   0.870 -11.961
  208   2HB   PRO  25          1HB       PRO  25 -10.633   2.317 -10.958
  209   1HG   PRO  25          2HG       PRO  25  -8.849  -0.025 -10.539
  210   2HG   PRO  25          1HG       PRO  25  -8.540   1.696 -10.256
  211   1HD   PRO  25          2HD       PRO  25  -9.114  -0.031  -8.283
  212   2HD   PRO  25          1HD       PRO  25  -9.574   1.681  -8.200
  213    H    LYS  26           H        LYS  26 -10.924  -1.788  -9.477
  214    HA   LYS  26           HA       LYS  26 -11.698  -3.273 -11.855
  215   1HB   LYS  26          2HB       LYS  26  -9.915  -3.811 -10.090
  216   2HB   LYS  26          1HB       LYS  26 -11.250  -4.262  -9.025
  217   1HG   LYS  26          2HG       LYS  26 -11.116  -5.442 -11.782
  218   2HG   LYS  26          1HG       LYS  26 -10.081  -6.100 -10.514
  219   1HD   LYS  26          2HD       LYS  26 -12.232  -6.198  -9.081
  220   2HD   LYS  26          1HD       LYS  26 -13.095  -5.991 -10.606
  221   1HE   LYS  26          2HE       LYS  26 -10.966  -8.117 -10.339
  222   2HE   LYS  26          1HE       LYS  26 -12.633  -8.426  -9.813
  223   1HZ   LYS  26          1HZ       LYS  26 -13.430  -7.717 -11.968
  224   2HZ   LYS  26          2HZ       LYS  26 -12.310  -8.979 -12.165
  225   3HZ   LYS  26          3HZ       LYS  26 -11.850  -7.374 -12.481
  226    H    ILE  27           H        ILE  27 -12.966  -3.002  -8.539
  227    HA   ILE  27           HA       ILE  27 -15.276  -4.609  -8.728
  228    HB   ILE  27           HB       ILE  27 -14.978  -1.959  -7.271
  229   1HG1  ILE  27          2HG1      ILE  27 -13.040  -3.224  -6.637
  230   2HG1  ILE  27          1HG1      ILE  27 -14.199  -3.405  -5.334
  231   1HG2  ILE  27          1HG2      ILE  27 -16.458  -3.117  -5.599
  232   2HG2  ILE  27          2HG2      ILE  27 -16.664  -4.416  -6.774
  233   3HG2  ILE  27          3HG2      ILE  27 -17.222  -2.787  -7.153
  234   1HD1  ILE  27          1HD1      ILE  27 -13.433  -5.408  -7.445
  235   2HD1  ILE  27          2HD1      ILE  27 -14.944  -5.555  -6.546
  236   3HD1  ILE  27          3HD1      ILE  27 -13.401  -5.589  -5.692
  237    H    LYS  28           H        LYS  28 -14.740  -1.274  -9.728
  238    HA   LYS  28           HA       LYS  28 -17.513  -0.627 -10.183
  239   1HB   LYS  28          2HB       LYS  28 -15.313   0.742 -11.705
  240   2HB   LYS  28          1HB       LYS  28 -16.725   1.434 -10.923
  241   1HG   LYS  28          2HG       LYS  28 -14.130   0.570  -9.683
  242   2HG   LYS  28          1HG       LYS  28 -14.858   2.158  -9.648
  243   1HD   LYS  28          2HD       LYS  28 -15.812  -0.310  -8.154
  244   2HD   LYS  28          1HD       LYS  28 -15.084   1.134  -7.461
  245   1HE   LYS  28          2HE       LYS  28 -17.646   1.257  -9.084
  246   2HE   LYS  28          1HE       LYS  28 -17.639   1.035  -7.322
  247   1HZ   LYS  28          1HZ       LYS  28 -16.150   2.995  -7.188
  248   2HZ   LYS  28          2HZ       LYS  28 -17.702   3.369  -7.770
  249   3HZ   LYS  28          3HZ       LYS  28 -16.391   3.259  -8.846
  250    H    SER  29           H        SER  29 -14.935  -1.845 -12.303
  251    HA   SER  29           HA       SER  29 -16.276  -1.609 -14.801
  252   1HB   SER  29          2HB       SER  29 -13.870  -2.173 -14.378
  253   2HB   SER  29          1HB       SER  29 -14.375  -3.778 -13.853
  254    HG   SER  29           HG       SER  29 -14.308  -2.643 -16.394
  255    H    GLU  30           H        GLU  30 -16.767  -3.868 -12.170
  256    HA   GLU  30           HA       GLU  30 -18.643  -5.454 -13.895
  257   1HB   GLU  30          2HB       GLU  30 -16.560  -6.092 -11.917
  258   2HB   GLU  30          1HB       GLU  30 -18.069  -6.956 -11.641
  259   1HG   GLU  30          2HG       GLU  30 -16.830  -6.819 -14.388
  260   2HG   GLU  30          1HG       GLU  30 -16.343  -8.053 -13.225
  261    H    HIS  31           H        HIS  31 -18.339  -3.514 -11.011
  262    HA   HIS  31           HA       HIS  31 -21.189  -4.155 -10.313
  263   1HB   HIS  31          2HB       HIS  31 -18.968  -3.214  -8.467
  264   2HB   HIS  31          1HB       HIS  31 -20.575  -3.748  -7.994
  265    HD1  HIS  31           1HD      HIS  31 -17.216  -5.002  -8.959
  266    HD2  HIS  31           2HD      HIS  31 -20.996  -6.604  -8.246
  267    HE1  HIS  31           1HE      HIS  31 -16.900  -7.501  -8.741
  268    HA   PRO  32           HA       PRO  32 -21.097   0.269 -11.438
  269   1HB   PRO  32          2HB       PRO  32 -23.685   0.385 -12.314
  270   2HB   PRO  32          1HB       PRO  32 -22.341  -0.157 -13.331
  271   1HG   PRO  32          2HG       PRO  32 -24.417  -1.750 -11.948
  272   2HG   PRO  32          1HG       PRO  32 -23.608  -2.043 -13.493
  273   1HD   PRO  32          2HD       PRO  32 -23.004  -3.327 -11.129
  274   2HD   PRO  32          1HD       PRO  32 -21.913  -3.194 -12.524
  275    H    GLY  33           H        GLY  33 -23.416  -1.585  -9.555
  276   1HA   GLY  33          2HA       GLY  33 -24.525   0.787  -8.233
  277   2HA   GLY  33          1HA       GLY  33 -24.931  -0.888  -7.879
  278    H    LEU  34           H        LEU  34 -21.776  -1.228  -7.785
  279    HA   LEU  34           HA       LEU  34 -21.504  -1.296  -4.949
  280   1HB   LEU  34          2HB       LEU  34 -19.968  -1.829  -7.334
  281   2HB   LEU  34          1HB       LEU  34 -18.949  -0.985  -6.177
  282    HG   LEU  34           HG       LEU  34 -18.861  -3.461  -5.908
  283   1HD1  LEU  34          1HD1      LEU  34 -18.262  -2.562  -3.899
  284   2HD1  LEU  34          2HD1      LEU  34 -19.790  -3.272  -3.376
  285   3HD1  LEU  34          3HD1      LEU  34 -19.710  -1.561  -3.796
  286   1HD2  LEU  34          1HD2      LEU  34 -21.597  -3.353  -6.330
  287   2HD2  LEU  34          2HD2      LEU  34 -21.490  -3.630  -4.593
  288   3HD2  LEU  34          3HD2      LEU  34 -20.720  -4.753  -5.714
  289    H    SER  35           H        SER  35 -22.297   0.886  -4.322
  290    HA   SER  35           HA       SER  35 -20.811   3.287  -5.048
  291   1HB   SER  35          2HB       SER  35 -23.164   3.340  -4.398
  292   2HB   SER  35          1HB       SER  35 -22.785   2.611  -2.840
  293    HG   SER  35           HG       SER  35 -22.183   4.497  -2.131
  294    H    ILE  36           H        ILE  36 -19.799   4.644  -3.179
  295    HA   ILE  36           HA       ILE  36 -17.503   3.408  -2.119
  296    HB   ILE  36           HB       ILE  36 -19.116   5.776  -1.111
  297   1HG1  ILE  36          2HG1      ILE  36 -18.373   5.977  -3.459
  298   2HG1  ILE  36          1HG1      ILE  36 -17.485   7.095  -2.428
  299   1HG2  ILE  36          1HG2      ILE  36 -16.313   4.828  -0.467
  300   2HG2  ILE  36          2HG2      ILE  36 -17.627   5.170   0.660
  301   3HG2  ILE  36          3HG2      ILE  36 -16.836   6.492  -0.199
  302   1HD1  ILE  36          1HD1      ILE  36 -15.657   5.337  -2.278
  303   2HD1  ILE  36          2HD1      ILE  36 -15.870   6.056  -3.873
  304   3HD1  ILE  36          3HD1      ILE  36 -16.514   4.448  -3.538
  305    H    GLY  37           H        GLY  37 -20.773   3.470  -0.831
  306   1HA   GLY  37          2HA       GLY  37 -20.209   2.746   1.870
  307   2HA   GLY  37          1HA       GLY  37 -21.721   2.398   1.028
  308    H    ASP  38           H        ASP  38 -21.572   0.522  -0.569
  309    HA   ASP  38           HA       ASP  38 -20.647  -1.847   0.787
  310   1HB   ASP  38          2HB       ASP  38 -22.565  -1.479  -0.901
  311   2HB   ASP  38          1HB       ASP  38 -21.322  -1.591  -2.149
  312    H    THR  39           H        THR  39 -19.172   0.264  -1.596
  313    HA   THR  39           HA       THR  39 -17.161  -1.576  -2.564
  314    HB   THR  39           HB       THR  39 -17.304   1.454  -2.424
  315    HG1  THR  39           1HG      THR  39 -18.086   1.255  -4.481
  316   1HG2  THR  39          1HG2      THR  39 -15.640   1.309  -4.331
  317   2HG2  THR  39          2HG2      THR  39 -15.421  -0.391  -3.915
  318   3HG2  THR  39          3HG2      THR  39 -14.993   0.864  -2.751
  319    H    ALA  40           H        ALA  40 -17.415   0.510   0.255
  320    HA   ALA  40           HA       ALA  40 -14.595   0.398   0.981
  321   1HB   ALA  40          1HB       ALA  40 -15.459   1.387   3.083
  322   2HB   ALA  40          2HB       ALA  40 -17.105   1.000   2.584
  323   3HB   ALA  40          3HB       ALA  40 -16.166   2.184   1.676
  324    H    LYS  41           H        LYS  41 -17.541  -1.268   2.128
  325    HA   LYS  41           HA       LYS  41 -16.019  -3.042   3.887
  326   1HB   LYS  41          2HB       LYS  41 -18.241  -3.939   4.397
  327   2HB   LYS  41          1HB       LYS  41 -18.292  -2.179   4.387
  328   1HG   LYS  41          2HG       LYS  41 -18.976  -2.506   1.859
  329   2HG   LYS  41          1HG       LYS  41 -19.425  -4.121   2.396
  330   1HD   LYS  41          2HD       LYS  41 -21.361  -2.637   2.563
  331   2HD   LYS  41          1HD       LYS  41 -20.837  -3.116   4.177
  332   1HE   LYS  41          2HE       LYS  41 -19.376  -0.750   3.504
  333   2HE   LYS  41          1HE       LYS  41 -21.084  -0.455   3.116
  334   1HZ   LYS  41          1HZ       LYS  41 -20.688  -0.009   5.446
  335   2HZ   LYS  41          2HZ       LYS  41 -20.032  -1.560   5.668
  336   3HZ   LYS  41          3HZ       LYS  41 -21.678  -1.378   5.289
  337    H    LYS  42           H        LYS  42 -16.880  -3.116   0.528
  338    HA   LYS  42           HA       LYS  42 -17.025  -6.019   0.257
  339   1HB   LYS  42          2HB       LYS  42 -18.129  -4.477  -1.303
  340   2HB   LYS  42          1HB       LYS  42 -16.580  -3.746  -1.713
  341   1HG   LYS  42          2HG       LYS  42 -17.295  -5.356  -3.439
  342   2HG   LYS  42          1HG       LYS  42 -15.811  -5.895  -2.649
  343   1HD   LYS  42          2HD       LYS  42 -16.821  -7.706  -1.698
  344   2HD   LYS  42          1HD       LYS  42 -18.311  -6.824  -1.366
  345   1HE   LYS  42          2HE       LYS  42 -19.279  -7.498  -3.316
  346   2HE   LYS  42          1HE       LYS  42 -17.782  -7.271  -4.242
  347   1HZ   LYS  42          1HZ       LYS  42 -18.364  -9.633  -4.002
  348   2HZ   LYS  42          2HZ       LYS  42 -18.276  -9.478  -2.312
  349   3HZ   LYS  42          3HZ       LYS  42 -16.882  -9.268  -3.263
  350    H    LEU  43           H        LEU  43 -14.593  -3.623  -0.853
  351    HA   LEU  43           HA       LEU  43 -12.542  -5.317  -1.680
  352   1HB   LEU  43          2HB       LEU  43 -12.494  -2.679  -0.192
  353   2HB   LEU  43          1HB       LEU  43 -11.059  -3.386  -0.935
  354    HG   LEU  43           HG       LEU  43 -13.597  -2.991  -2.516
  355   1HD1  LEU  43          1HD1      LEU  43 -12.793  -0.823  -1.447
  356   2HD1  LEU  43          2HD1      LEU  43 -12.845  -0.822  -3.210
  357   3HD1  LEU  43          3HD1      LEU  43 -11.305  -1.018  -2.374
  358   1HD2  LEU  43          1HD2      LEU  43 -10.659  -3.141  -3.270
  359   2HD2  LEU  43          2HD2      LEU  43 -12.008  -3.007  -4.399
  360   3HD2  LEU  43          3HD2      LEU  43 -11.818  -4.462  -3.421
  361    H    GLY  44           H        GLY  44 -13.529  -4.641   1.629
  362   1HA   GLY  44          2HA       GLY  44 -11.167  -5.557   2.970
  363   2HA   GLY  44          1HA       GLY  44 -12.783  -5.513   3.679
  364    H    GLU  45           H        GLU  45 -14.066  -7.224   1.789
  365    HA   GLU  45           HA       GLU  45 -13.766  -9.787   2.898
  366   1HB   GLU  45          2HB       GLU  45 -15.457  -8.648   1.194
  367   2HB   GLU  45          1HB       GLU  45 -14.443  -9.458   0.000
  368   1HG   GLU  45          2HG       GLU  45 -16.160 -11.024   0.510
  369   2HG   GLU  45          1HG       GLU  45 -14.749 -11.581   1.409
  370    H    MET  46           H        MET  46 -12.099  -8.412   0.067
  371    HA   MET  46           HA       MET  46 -10.694 -10.861  -0.638
  372   1HB   MET  46          2HB       MET  46 -10.391  -7.917  -1.289
  373   2HB   MET  46          1HB       MET  46  -9.335  -9.148  -1.986
  374   1HG   MET  46          2HG       MET  46 -12.341  -9.376  -2.140
  375   2HG   MET  46          1HG       MET  46 -11.419  -8.485  -3.350
  376   1HE   MET  46          1HE       MET  46 -11.356 -11.172  -5.787
  377   2HE   MET  46          2HE       MET  46 -10.628  -9.599  -5.473
  378   3HE   MET  46          3HE       MET  46 -12.341  -9.850  -5.142
  379    H    TRP  47           H        TRP  47  -9.796  -7.874   1.085
  380    HA   TRP  47           HA       TRP  47  -7.086  -8.370   1.639
  381   1HB   TRP  47          2HB       TRP  47  -8.498  -6.331   2.143
  382   2HB   TRP  47          1HB       TRP  47  -9.125  -7.192   3.548
  383    HD1  TRP  47           HD       TRP  47  -7.887  -6.613   5.675
  384    HE1  TRP  47           1HE      TRP  47  -5.476  -5.941   6.296
  385    HE3  TRP  47           3HE      TRP  47  -5.725  -6.713   1.051
  386    HZ2  TRP  47           2HZ      TRP  47  -2.964  -5.503   5.001
  387    HZ3  TRP  47           3HZ      TRP  47  -3.324  -6.165   0.773
  388    HH2  TRP  47           HH       TRP  47  -1.942  -5.560   2.741
  389    H    SER  48           H        SER  48  -9.806  -9.157   3.866
  390    HA   SER  48           HA       SER  48  -8.277 -10.654   5.739
  391   1HB   SER  48          2HB       SER  48 -10.655  -9.738   5.888
  392   2HB   SER  48          1HB       SER  48 -11.161 -11.137   4.943
  393    HG   SER  48           HG       SER  48 -11.324 -11.548   7.173
  394    H    GLU  49           H        GLU  49  -9.768 -11.607   2.683
  395    HA   GLU  49           HA       GLU  49  -9.576 -14.453   2.978
  396   1HB   GLU  49          2HB       GLU  49  -9.949 -12.429   0.845
  397   2HB   GLU  49          1HB       GLU  49  -9.318 -13.981   0.296
  398   1HG   GLU  49          2HG       GLU  49 -11.202 -15.068   1.634
  399   2HG   GLU  49          1HG       GLU  49 -11.891 -13.452   1.793
  400    H    GLN  50           H        GLN  50  -7.311 -12.040   1.649
  401    HA   GLN  50           HA       GLN  50  -5.282 -13.878   0.781
  402   1HB   GLN  50          2HB       GLN  50  -5.217 -10.984   1.694
  403   2HB   GLN  50          1HB       GLN  50  -3.866 -11.794   0.901
  404   1HG   GLN  50          2HG       GLN  50  -6.604 -11.794  -0.356
  405   2HG   GLN  50          1HG       GLN  50  -5.511 -10.426  -0.578
  406   1HE2  GLN  50          1HE2      GLN  50  -6.448 -13.117  -2.176
  407   2HE2  GLN  50          2HE2      GLN  50  -4.998 -13.537  -2.954
  408    H    SER  51           H        SER  51  -3.266 -14.391   1.826
  409    HA   SER  51           HA       SER  51  -3.471 -14.558   4.797
  410   1HB   SER  51          2HB       SER  51  -1.884 -16.373   4.521
  411   2HB   SER  51          1HB       SER  51  -3.123 -16.564   3.282
  412    HG   SER  51           HG       SER  51  -0.627 -16.519   2.830
  413    H    ALA  52           H        ALA  52  -0.517 -14.916   5.002
  414    HA   ALA  52           HA       ALA  52   0.222 -12.089   5.253
  415   1HB   ALA  52          1HB       ALA  52   0.883 -13.635   6.971
  416   2HB   ALA  52          2HB       ALA  52   2.359 -13.203   6.107
  417   3HB   ALA  52          3HB       ALA  52   1.571 -14.749   5.788
  418    H    LYS  53           H        LYS  53  -0.196 -12.293   2.608
  419    HA   LYS  53           HA       LYS  53   2.554 -12.413   1.427
  420   1HB   LYS  53          2HB       LYS  53   0.699 -14.337   1.055
  421   2HB   LYS  53          1HB       LYS  53   0.194 -13.214  -0.209
  422   1HG   LYS  53          2HG       LYS  53   2.388 -13.250  -1.218
  423   2HG   LYS  53          1HG       LYS  53   3.045 -14.180   0.130
  424   1HD   LYS  53          2HD       LYS  53   1.881 -16.133  -0.489
  425   2HD   LYS  53          1HD       LYS  53   0.738 -15.241  -1.493
  426   1HE   LYS  53          2HE       LYS  53   2.349 -14.889  -3.212
  427   2HE   LYS  53          1HE       LYS  53   3.695 -15.343  -2.146
  428   1HZ   LYS  53          1HZ       LYS  53   1.475 -17.132  -2.993
  429   2HZ   LYS  53          2HZ       LYS  53   2.745 -17.559  -1.947
  430   3HZ   LYS  53          3HZ       LYS  53   3.067 -17.196  -3.576
  431    H    ASP  54           H        ASP  54  -0.808 -11.272   1.024
  432    HA   ASP  54           HA       ASP  54  -0.310  -9.387  -1.071
  433   1HB   ASP  54          2HB       ASP  54  -2.483 -10.391   0.088
  434   2HB   ASP  54          1HB       ASP  54  -2.375  -8.916   1.050
  435    H    LYS  55           H        LYS  55   0.018  -9.129   2.461
  436    HA   LYS  55           HA       LYS  55   0.545  -6.225   2.293
  437   1HB   LYS  55          2HB       LYS  55  -0.827  -7.370   4.073
  438   2HB   LYS  55          1HB       LYS  55   0.656  -8.128   4.650
  439   1HG   LYS  55          2HG       LYS  55   1.593  -6.062   5.306
  440   2HG   LYS  55          1HG       LYS  55   0.463  -5.136   4.316
  441   1HD   LYS  55          2HD       LYS  55  -0.501  -4.852   6.404
  442   2HD   LYS  55          1HD       LYS  55  -1.337  -6.312   5.874
  443   1HE   LYS  55          2HE       LYS  55   0.347  -7.699   7.070
  444   2HE   LYS  55          1HE       LYS  55   1.132  -6.216   7.648
  445   1HZ   LYS  55          1HZ       LYS  55  -1.700  -6.996   8.108
  446   2HZ   LYS  55          2HZ       LYS  55  -1.005  -5.521   8.587
  447   3HZ   LYS  55          3HZ       LYS  55  -0.469  -6.979   9.274
  448    H    GLN  56           H        GLN  56   2.471  -8.417   1.191
  449    HA   GLN  56           HA       GLN  56   4.834  -7.904   2.924
  450   1HB   GLN  56          2HB       GLN  56   3.961  -9.919   0.954
  451   2HB   GLN  56          1HB       GLN  56   5.672  -9.509   0.858
  452   1HG   GLN  56          2HG       GLN  56   4.340 -10.146   3.493
  453   2HG   GLN  56          1HG       GLN  56   5.022 -11.409   2.468
  454   1HE2  GLN  56          1HE2      GLN  56   5.802  -9.279   4.971
  455   2HE2  GLN  56          2HE2      GLN  56   7.490  -9.286   4.795
  456    HA   PRO  57           HA       PRO  57   6.458  -6.020  -1.090
  457   1HB   PRO  57          2HB       PRO  57   5.017  -6.088  -3.393
  458   2HB   PRO  57          1HB       PRO  57   6.080  -7.418  -2.890
  459   1HG   PRO  57          2HG       PRO  57   3.138  -7.196  -2.761
  460   2HG   PRO  57          1HG       PRO  57   4.148  -8.618  -3.040
  461   1HD   PRO  57          2HD       PRO  57   2.908  -7.962  -0.650
  462   2HD   PRO  57          1HD       PRO  57   4.269  -9.087  -0.836
  463    H    TYR  58           H        TYR  58   2.956  -5.706  -0.761
  464    HA   TYR  58           HA       TYR  58   2.870  -2.952  -1.754
  465   1HB   TYR  58          2HB       TYR  58   1.052  -5.081  -0.809
  466   2HB   TYR  58          1HB       TYR  58   0.487  -3.442  -0.491
  467    HD1  TYR  58           1HD      TYR  58   1.844  -5.632  -3.200
  468    HD2  TYR  58           2HD      TYR  58  -0.469  -2.149  -2.216
  469    HE1  TYR  58           1HE      TYR  58   1.178  -5.403  -5.578
  470    HE2  TYR  58           2HE      TYR  58  -1.135  -1.920  -4.594
  471    HH   TYR  58           HH       TYR  58  -1.348  -3.437  -6.596
  472    H    GLU  59           H        GLU  59   3.735  -4.312   1.271
  473    HA   GLU  59           HA       GLU  59   2.647  -2.133   2.918
  474   1HB   GLU  59          2HB       GLU  59   3.678  -3.388   4.729
  475   2HB   GLU  59          1HB       GLU  59   2.899  -4.516   3.631
  476   1HG   GLU  59          2HG       GLU  59   4.905  -5.604   3.671
  477   2HG   GLU  59          1HG       GLU  59   5.402  -4.358   2.528
  478    H    GLN  60           H        GLN  60   5.660  -2.832   1.263
  479    HA   GLN  60           HA       GLN  60   7.255  -0.901   2.772
  480   1HB   GLN  60          2HB       GLN  60   8.933  -1.440   1.016
  481   2HB   GLN  60          1HB       GLN  60   8.229  -2.891   1.726
  482   1HG   GLN  60          2HG       GLN  60   6.946  -3.354  -0.168
  483   2HG   GLN  60          1HG       GLN  60   7.010  -1.690  -0.748
  484   1HE2  GLN  60          1HE2      GLN  60   9.061  -4.601  -0.284
  485   2HE2  GLN  60          2HE2      GLN  60  10.174  -4.200  -1.500
  486    H    LYS  61           H        LYS  61   5.138  -0.764   0.005
  487    HA   LYS  61           HA       LYS  61   6.209   1.579  -1.283
  488   1HB   LYS  61          2HB       LYS  61   4.660   0.055  -2.382
  489   2HB   LYS  61          1HB       LYS  61   3.444   0.325  -1.137
  490   1HG   LYS  61          2HG       LYS  61   3.106   2.598  -1.844
  491   2HG   LYS  61          1HG       LYS  61   4.503   2.533  -2.920
  492   1HD   LYS  61          2HD       LYS  61   3.172   0.496  -3.979
  493   2HD   LYS  61          1HD       LYS  61   1.786   1.321  -3.261
  494   1HE   LYS  61          2HE       LYS  61   2.525   3.436  -4.419
  495   2HE   LYS  61          1HE       LYS  61   3.757   2.475  -5.263
  496   1HZ   LYS  61          1HZ       LYS  61   2.089   1.063  -6.162
  497   2HZ   LYS  61          2HZ       LYS  61   1.596   2.659  -6.472
  498   3HZ   LYS  61          3HZ       LYS  61   0.874   1.772  -5.216
  499    H    ALA  62           H        ALA  62   3.688   1.157   1.220
  500    HA   ALA  62           HA       ALA  62   3.257   4.045   1.469
  501   1HB   ALA  62          1HB       ALA  62   2.300   1.508   2.762
  502   2HB   ALA  62          2HB       ALA  62   1.364   2.768   1.959
  503   3HB   ALA  62          3HB       ALA  62   2.001   3.042   3.579
  504    H    ALA  63           H        ALA  63   5.530   1.767   2.739
  505    HA   ALA  63           HA       ALA  63   6.063   2.843   5.327
  506   1HB   ALA  63          1HB       ALA  63   7.923   1.603   3.264
  507   2HB   ALA  63          2HB       ALA  63   6.942   0.708   4.425
  508   3HB   ALA  63          3HB       ALA  63   8.259   1.735   4.991
  509    H    LYS  64           H        LYS  64   7.005   3.902   2.073
  510    HA   LYS  64           HA       LYS  64   8.974   5.855   2.949
  511   1HB   LYS  64          2HB       LYS  64   9.047   4.888   0.739
  512   2HB   LYS  64          1HB       LYS  64   7.380   5.344   0.436
  513   1HG   LYS  64          2HG       LYS  64   7.997   7.366  -0.327
  514   2HG   LYS  64          1HG       LYS  64   8.915   7.691   1.144
  515   1HD   LYS  64          2HD       LYS  64  10.489   7.764  -0.666
  516   2HD   LYS  64          1HD       LYS  64  10.762   6.236   0.175
  517   1HE   LYS  64          2HE       LYS  64   9.764   4.967  -1.535
  518   2HE   LYS  64          1HE       LYS  64   8.861   6.359  -2.168
  519   1HZ   LYS  64          1HZ       LYS  64  10.774   5.944  -3.561
  520   2HZ   LYS  64          2HZ       LYS  64  11.814   6.004  -2.218
  521   3HZ   LYS  64          3HZ       LYS  64  10.996   7.404  -2.726
  522    H    LEU  65           H        LEU  65   5.775   6.273   1.419
  523    HA   LEU  65           HA       LEU  65   5.281   8.957   1.778
  524   1HB   LEU  65          2HB       LEU  65   3.528   6.517   2.003
  525   2HB   LEU  65          1HB       LEU  65   2.839   8.136   2.102
  526    HG   LEU  65           HG       LEU  65   4.569   8.244  -0.112
  527   1HD1  LEU  65          1HD1      LEU  65   4.769   5.855  -0.254
  528   2HD1  LEU  65          2HD1      LEU  65   3.625   6.342  -1.504
  529   3HD1  LEU  65          3HD1      LEU  65   3.039   5.634   0.001
  530   1HD2  LEU  65          1HD2      LEU  65   1.600   7.679  -0.258
  531   2HD2  LEU  65          2HD2      LEU  65   2.573   8.672  -1.342
  532   3HD2  LEU  65          3HD2      LEU  65   2.233   9.229   0.296
  533    H    LYS  66           H        LYS  66   5.343   6.581   4.388
  534    HA   LYS  66           HA       LYS  66   3.893   8.093   6.368
  535   1HB   LYS  66          2HB       LYS  66   4.496   5.669   6.475
  536   2HB   LYS  66          1HB       LYS  66   6.188   6.123   6.672
  537   1HG   LYS  66          2HG       LYS  66   5.473   5.811   8.889
  538   2HG   LYS  66          1HG       LYS  66   5.334   7.555   8.671
  539   1HD   LYS  66          2HD       LYS  66   3.169   7.385   9.272
  540   2HD   LYS  66          1HD       LYS  66   2.879   6.521   7.764
  541   1HE   LYS  66          2HE       LYS  66   3.808   5.164  10.319
  542   2HE   LYS  66          1HE       LYS  66   2.115   5.241   9.795
  543   1HZ   LYS  66          1HZ       LYS  66   3.211   3.225   8.981
  544   2HZ   LYS  66          2HZ       LYS  66   4.368   4.173   8.174
  545   3HZ   LYS  66          3HZ       LYS  66   2.737   4.230   7.700
  546    H    GLU  67           H        GLU  67   7.347   7.876   5.519
  547    HA   GLU  67           HA       GLU  67   8.308   9.722   7.509
  548   1HB   GLU  67          2HB       GLU  67   9.304   8.681   4.850
  549   2HB   GLU  67          1HB       GLU  67  10.254   9.823   5.802
  550   1HG   GLU  67          2HG       GLU  67  10.134   8.260   7.739
  551   2HG   GLU  67          1HG       GLU  67   9.277   7.103   6.720
  552    H    LYS  68           H        LYS  68   7.831  10.201   3.978
  553    HA   LYS  68           HA       LYS  68   8.285  12.965   3.816
  554   1HB   LYS  68          2HB       LYS  68   6.675  10.925   2.355
  555   2HB   LYS  68          1HB       LYS  68   6.350  12.616   1.973
  556   1HG   LYS  68          2HG       LYS  68   8.071  12.112   0.474
  557   2HG   LYS  68          1HG       LYS  68   8.960  12.809   1.829
  558   1HD   LYS  68          2HD       LYS  68   9.501  10.605   2.684
  559   2HD   LYS  68          1HD       LYS  68   8.477   9.839   1.469
  560   1HE   LYS  68          2HE       LYS  68  10.763  11.636   0.642
  561   2HE   LYS  68          1HE       LYS  68  11.024   9.913   0.981
  562   1HZ   LYS  68          1HZ       LYS  68   9.053  11.058  -0.927
  563   2HZ   LYS  68          2HZ       LYS  68   9.167   9.410  -0.528
  564   3HZ   LYS  68          3HZ       LYS  68  10.449  10.183  -1.330
  565    H    TYR  69           H        TYR  69   5.408  11.279   4.983
  566    HA   TYR  69           HA       TYR  69   3.707  13.651   5.088
  567   1HB   TYR  69          2HB       TYR  69   2.813  11.374   4.878
  568   2HB   TYR  69          1HB       TYR  69   3.595  10.900   6.384
  569    HD1  TYR  69           1HD      TYR  69   0.727  12.572   4.874
  570    HD2  TYR  69           2HD      TYR  69   2.830  11.888   8.556
  571    HE1  TYR  69           1HE      TYR  69  -1.256  13.336   6.151
  572    HE2  TYR  69           2HE      TYR  69   0.848  12.652   9.832
  573    HH   TYR  69           HH       TYR  69  -1.436  14.426   8.788
  574    H    GLU  70           H        GLU  70   4.992  11.582   7.691
  575    HA   GLU  70           HA       GLU  70   4.598  13.424   9.826
  576   1HB   GLU  70          2HB       GLU  70   6.451  11.089   9.341
  577   2HB   GLU  70          1HB       GLU  70   6.428  11.940  10.886
  578   1HG   GLU  70          2HG       GLU  70   3.848  11.582  10.778
  579   2HG   GLU  70          1HG       GLU  70   4.234  10.341   9.585
  580    H    LYS  71           H        LYS  71   7.045  13.429   7.343
  581    HA   LYS  71           HA       LYS  71   8.850  15.165   8.954
  582   1HB   LYS  71          2HB       LYS  71   9.060  13.805   6.253
  583   2HB   LYS  71          1HB       LYS  71  10.337  14.799   6.953
  584   1HG   LYS  71          2HG       LYS  71   9.147  12.501   8.499
  585   2HG   LYS  71          1HG       LYS  71  10.453  12.237   7.342
  586   1HD   LYS  71          2HD       LYS  71  10.648  14.339   9.502
  587   2HD   LYS  71          1HD       LYS  71  11.138  12.668   9.785
  588   1HE   LYS  71          2HE       LYS  71  12.883  12.780   8.191
  589   2HE   LYS  71          1HE       LYS  71  12.192  14.218   7.412
  590   1HZ   LYS  71          1HZ       LYS  71  12.545  15.456   9.459
  591   2HZ   LYS  71          2HZ       LYS  71  14.016  14.828   8.887
  592   3HZ   LYS  71          3HZ       LYS  71  13.226  14.088  10.196
  593    H    ASP  72           H        ASP  72   6.551  15.354   6.304
  594    HA   ASP  72           HA       ASP  72   7.463  18.126   5.655
  595   1HB   ASP  72          2HB       ASP  72   7.168  16.334   3.898
  596   2HB   ASP  72          1HB       ASP  72   5.441  16.350   4.259
  597    H    ILE  73           H        ILE  73   4.738  16.311   6.974
  598    HA   ILE  73           HA       ILE  73   2.766  18.393   6.796
  599    HB   ILE  73           HB       ILE  73   2.454  15.909   7.212
  600   1HG1  ILE  73          2HG1      ILE  73   0.680  16.434   9.124
  601   2HG1  ILE  73          1HG1      ILE  73   1.122  18.100   8.747
  602   1HG2  ILE  73          1HG2      ILE  73   4.223  15.915   9.092
  603   2HG2  ILE  73          2HG2      ILE  73   2.753  14.981   9.369
  604   3HG2  ILE  73          3HG2      ILE  73   2.944  16.566  10.118
  605   1HD1  ILE  73          1HD1      ILE  73   0.567  17.770   6.401
  606   2HD1  ILE  73          2HD1      ILE  73  -0.809  17.266   7.383
  607   3HD1  ILE  73          3HD1      ILE  73   0.263  16.055   6.679
  608    H    ALA  74           H        ALA  74   5.228  17.626   9.229
  609    HA   ALA  74           HA       ALA  74   4.363  19.389  11.308
  610   1HB   ALA  74          1HB       ALA  74   6.054  17.663  11.623
  611   2HB   ALA  74          2HB       ALA  74   6.792  19.226  11.968
  612   3HB   ALA  74          3HB       ALA  74   7.105  18.424  10.430
  613    H    ALA  75           H        ALA  75   6.695  19.911   8.645
  614    HA   ALA  75           HA       ALA  75   7.085  22.733   9.265
  615   1HB   ALA  75          1HB       ALA  75   8.320  22.648   7.092
  616   2HB   ALA  75          2HB       ALA  75   7.699  21.018   6.835
  617   3HB   ALA  75          3HB       ALA  75   8.791  21.344   8.182
  618    H    TYR  76           H        TYR  76   4.797  20.894   7.367
  619    HA   TYR  76           HA       TYR  76   3.957  22.961   5.543
  620   1HB   TYR  76          2HB       TYR  76   3.535  20.505   5.341
  621   2HB   TYR  76          1HB       TYR  76   2.427  20.609   6.710
  622    HD1  TYR  76           1HD      TYR  76   3.026  21.739   3.223
  623    HD2  TYR  76           2HD      TYR  76   0.213  21.499   6.461
  624    HE1  TYR  76           1HE      TYR  76   1.205  22.442   1.693
  625    HE2  TYR  76           2HE      TYR  76  -1.608  22.202   4.931
  626    HH   TYR  76           HH       TYR  76  -1.477  22.052   1.729
  627    H    ARG  77           H        ARG  77   3.096  22.141   8.866
  628    HA   ARG  77           HA       ARG  77   1.044  24.319   8.892
  629   1HB   ARG  77          2HB       ARG  77   1.624  21.989  10.747
  630   2HB   ARG  77          1HB       ARG  77   0.308  23.143  10.968
  631   1HG   ARG  77          2HG       ARG  77  -0.789  22.435   8.980
  632   2HG   ARG  77          1HG       ARG  77   0.636  21.565   8.413
  633   1HD   ARG  77          2HD       ARG  77  -0.631  19.795   9.262
  634   2HD   ARG  77          1HD       ARG  77   0.301  20.235  10.707
  635    HE   ARG  77           HE       ARG  77  -1.654  21.667  11.378
  636   1HH1  ARG  77          1HH2      ARG  77  -2.717  20.946   8.438
  637   2HH1  ARG  77          2HH2      ARG  77  -4.119  20.038   8.894
  638   1HH2  ARG  77          1HH1      ARG  77  -3.178  19.750  12.219
  639   2HH2  ARG  77          2HH1      ARG  77  -4.381  19.361  11.035
  640    H    ALA  78           H        ALA  78   4.268  24.139   9.436
  641    HA   ALA  78           HA       ALA  78   5.787  25.341  10.777
  642   1HB   ALA  78          1HB       ALA  78   5.108  27.563  11.178
  643   2HB   ALA  78          2HB       ALA  78   3.442  27.090  11.511
  644   3HB   ALA  78          3HB       ALA  78   4.052  27.065   9.856
  645    H    LYS  79           H        LYS  79   5.615  23.337  12.232
  646    HA   LYS  79           HA       LYS  79   4.665  24.172  14.948
  647   1HB   LYS  79          2HB       LYS  79   3.303  22.437  13.418
  648   2HB   LYS  79          1HB       LYS  79   4.475  21.315  14.113
  649   1HG   LYS  79          2HG       LYS  79   2.884  21.230  15.774
  650   2HG   LYS  79          1HG       LYS  79   3.805  22.615  16.355
  651   1HD   LYS  79          2HD       LYS  79   1.630  23.147  14.383
  652   2HD   LYS  79          1HD       LYS  79   1.150  22.731  16.029
  653   1HE   LYS  79          2HE       LYS  79   3.098  24.530  16.583
  654   2HE   LYS  79          1HE       LYS  79   2.525  25.170  15.029
  655   1HZ   LYS  79          1HZ       LYS  79   0.292  25.163  15.814
  656   2HZ   LYS  79          2HZ       LYS  79   1.228  25.957  16.989
  657   3HZ   LYS  79          3HZ       LYS  79   0.722  24.355  17.243
  Start of MODEL   17
    1   1H    MET   1          1HT       MET   1  -9.108  17.484  -3.140
    2   2H    MET   1          2HT       MET   1  -9.988  18.115  -4.449
    3   3H    MET   1          3HT       MET   1  -8.875  16.855  -4.698
    4    HA   MET   1           HA       MET   1 -11.427  16.675  -3.175
    5   1HB   MET   1          2HB       MET   1 -11.257  16.836  -5.772
    6   2HB   MET   1          1HB       MET   1 -10.578  15.211  -5.673
    7   1HG   MET   1          2HG       MET   1 -12.571  14.401  -4.528
    8   2HG   MET   1          1HG       MET   1 -13.240  16.032  -4.475
    9   1HE   MET   1          1HE       MET   1 -13.175  17.482  -6.411
   10   2HE   MET   1          2HE       MET   1 -14.844  16.977  -6.664
   11   3HE   MET   1          3HE       MET   1 -13.737  17.050  -8.032
   12    H    LYS   2           H        LYS   2  -8.916  14.630  -4.724
   13    HA   LYS   2           HA       LYS   2  -8.763  13.018  -2.205
   14   1HB   LYS   2          2HB       LYS   2  -9.735  12.299  -4.891
   15   2HB   LYS   2          1HB       LYS   2  -8.535  11.175  -4.255
   16   1HG   LYS   2          2HG       LYS   2 -10.471  10.268  -3.356
   17   2HG   LYS   2          1HG       LYS   2 -10.000  11.363  -2.055
   18   1HD   LYS   2          2HD       LYS   2 -11.701  12.844  -2.498
   19   2HD   LYS   2          1HD       LYS   2 -11.696  12.498  -4.227
   20   1HE   LYS   2          2HE       LYS   2 -12.490  10.079  -3.150
   21   2HE   LYS   2          1HE       LYS   2 -13.269  11.262  -2.080
   22   1HZ   LYS   2          1HZ       LYS   2 -13.344  11.305  -5.051
   23   2HZ   LYS   2          2HZ       LYS   2 -14.067  12.452  -4.027
   24   3HZ   LYS   2          3HZ       LYS   2 -14.629  10.850  -4.042
   25    H    LYS   3           H        LYS   3  -6.911  11.168  -2.951
   26    HA   LYS   3           HA       LYS   3  -4.587  10.872  -3.210
   27   1HB   LYS   3          2HB       LYS   3  -5.705  11.771  -5.545
   28   2HB   LYS   3          1HB       LYS   3  -4.443  12.976  -5.286
   29   1HG   LYS   3          2HG       LYS   3  -2.926  10.893  -4.797
   30   2HG   LYS   3          1HG       LYS   3  -4.169  10.009  -5.683
   31   1HD   LYS   3          2HD       LYS   3  -3.876  11.427  -7.629
   32   2HD   LYS   3          1HD       LYS   3  -2.764  12.475  -6.746
   33   1HE   LYS   3          2HE       LYS   3  -1.235  10.488  -6.446
   34   2HE   LYS   3          1HE       LYS   3  -2.303   9.579  -7.535
   35   1HZ   LYS   3          1HZ       LYS   3  -0.477  10.708  -8.725
   36   2HZ   LYS   3          2HZ       LYS   3  -1.069  12.205  -8.182
   37   3HZ   LYS   3          3HZ       LYS   3  -2.008  11.243  -9.223
   38    H    LYS   4           H        LYS   4  -2.514  12.555  -3.758
   39    HA   LYS   4           HA       LYS   4  -2.782  14.921  -2.029
   40   1HB   LYS   4          2HB       LYS   4  -0.738  14.166  -0.828
   41   2HB   LYS   4          1HB       LYS   4  -2.089  13.071  -0.597
   42   1HG   LYS   4          2HG       LYS   4  -0.543  11.485  -1.162
   43   2HG   LYS   4          1HG       LYS   4  -0.936  11.972  -2.807
   44   1HD   LYS   4          2HD       LYS   4   1.446  12.045  -2.663
   45   2HD   LYS   4          1HD       LYS   4   0.913  13.724  -2.584
   46   1HE   LYS   4          2HE       LYS   4   2.492  13.534  -0.812
   47   2HE   LYS   4          1HE       LYS   4   0.925  13.373   0.004
   48   1HZ   LYS   4          1HZ       LYS   4   1.080  11.011  -0.100
   49   2HZ   LYS   4          2HZ       LYS   4   2.538  11.580   0.563
   50   3HZ   LYS   4          3HZ       LYS   4   2.477  11.076  -1.059
   51    H    ASP   5           H        ASP   5  -0.567  16.158  -2.113
   52    HA   ASP   5           HA       ASP   5   0.253  16.292  -4.976
   53   1HB   ASP   5          2HB       ASP   5  -0.460  18.151  -2.989
   54   2HB   ASP   5          1HB       ASP   5   1.283  18.346  -3.172
   55    HA   PRO   6           HA       PRO   6   4.247  14.650  -4.078
   56   1HB   PRO   6          2HB       PRO   6   5.836  16.034  -5.823
   57   2HB   PRO   6          1HB       PRO   6   4.726  14.748  -6.334
   58   1HG   PRO   6          2HG       PRO   6   4.383  17.702  -6.463
   59   2HG   PRO   6          1HG       PRO   6   3.921  16.460  -7.638
   60   1HD   PRO   6          2HD       PRO   6   2.152  17.636  -5.943
   61   2HD   PRO   6          1HD       PRO   6   1.959  15.979  -6.557
   62    H    ASN   7           H        ASN   7   3.688  18.092  -3.828
   63    HA   ASN   7           HA       ASN   7   6.234  18.538  -2.358
   64   1HB   ASN   7          2HB       ASN   7   4.035  20.219  -3.550
   65   2HB   ASN   7          1HB       ASN   7   5.159  20.928  -2.390
   66   1HD2  ASN   7          1HD2      ASN   7   6.883  21.923  -3.426
   67   2HD2  ASN   7          2HD2      ASN   7   7.596  21.394  -4.873
   68    H    ALA   8           H        ALA   8   2.764  18.234  -1.838
   69    HA   ALA   8           HA       ALA   8   3.090  18.971   1.042
   70   1HB   ALA   8          1HB       ALA   8   0.617  19.168   0.935
   71   2HB   ALA   8          2HB       ALA   8   0.657  18.624  -0.742
   72   3HB   ALA   8          3HB       ALA   8   1.394  20.163  -0.295
   73    HA   PRO   9           HA       PRO   9   2.859  14.412   1.283
   74   1HB   PRO   9          2HB       PRO   9   3.960  14.204   3.777
   75   2HB   PRO   9          1HB       PRO   9   4.935  14.359   2.304
   76   1HG   PRO   9          2HG       PRO   9   4.202  16.432   4.310
   77   2HG   PRO   9          1HG       PRO   9   5.731  16.182   3.453
   78   1HD   PRO   9          2HD       PRO   9   3.917  18.088   2.751
   79   2HD   PRO   9          1HD       PRO   9   5.027  17.321   1.593
   80    H    LYS  10           H        LYS  10   0.504  14.689   1.423
   81    HA   LYS  10           HA       LYS  10  -0.904  15.571   3.738
   82   1HB   LYS  10          2HB       LYS  10  -1.438  14.601   1.149
   83   2HB   LYS  10          1HB       LYS  10  -2.259  13.477   2.229
   84   1HG   LYS  10          2HG       LYS  10  -3.775  15.295   1.693
   85   2HG   LYS  10          1HG       LYS  10  -3.305  15.435   3.387
   86   1HD   LYS  10          2HD       LYS  10  -2.969  17.621   2.692
   87   2HD   LYS  10          1HD       LYS  10  -1.371  16.946   2.369
   88   1HE   LYS  10          2HE       LYS  10  -1.711  16.888   0.061
   89   2HE   LYS  10          1HE       LYS  10  -3.477  16.805   0.224
   90   1HZ   LYS  10          1HZ       LYS  10  -3.496  19.045   1.081
   91   2HZ   LYS  10          2HZ       LYS  10  -2.717  19.034  -0.429
   92   3HZ   LYS  10          3HZ       LYS  10  -1.805  19.136   1.001
   93    H    ARG  11           H        ARG  11  -2.647  13.296   4.181
   94    HA   ARG  11           HA       ARG  11  -1.364  12.021   6.384
   95   1HB   ARG  11          2HB       ARG  11  -3.907  12.028   5.010
   96   2HB   ARG  11          1HB       ARG  11  -3.464  10.364   5.395
   97   1HG   ARG  11          2HG       ARG  11  -4.638  11.157   7.308
   98   2HG   ARG  11          1HG       ARG  11  -2.933  11.219   7.756
   99   1HD   ARG  11          2HD       ARG  11  -2.830  13.599   7.370
  100   2HD   ARG  11          1HD       ARG  11  -4.447  13.602   6.637
  101    HE   ARG  11           HE       ARG  11  -3.896  13.059   9.524
  102   1HH1  ARG  11          1HH2      ARG  11  -5.401  15.457   8.207
  103   2HH1  ARG  11          2HH2      ARG  11  -7.031  15.045   8.622
  104   1HH2  ARG  11          1HH1      ARG  11  -6.265  11.780   9.499
  105   2HH2  ARG  11          2HH1      ARG  11  -7.521  12.964   9.354
  106    HA   PRO  12           HA       PRO  12   0.929   8.977   4.052
  107   1HB   PRO  12          2HB       PRO  12   1.870   7.494   6.146
  108   2HB   PRO  12          1HB       PRO  12   2.551   9.071   5.700
  109   1HG   PRO  12          2HG       PRO  12   0.709   8.363   7.911
  110   2HG   PRO  12          1HG       PRO  12   1.991   9.580   7.848
  111   1HD   PRO  12          2HD       PRO  12  -0.709  10.113   7.610
  112   2HD   PRO  12          1HD       PRO  12   0.594  11.178   7.044
  113    HA   PRO  13           HA       PRO  13  -2.186   5.779   4.117
  114   1HB   PRO  13          2HB       PRO  13  -1.181   4.187   2.139
  115   2HB   PRO  13          1HB       PRO  13  -2.007   5.724   1.818
  116   1HG   PRO  13          2HG       PRO  13   0.876   5.082   1.742
  117   2HG   PRO  13          1HG       PRO  13  -0.048   6.258   0.799
  118   1HD   PRO  13          2HD       PRO  13   1.575   6.831   2.995
  119   2HD   PRO  13          1HD       PRO  13   0.358   7.913   2.289
  120    H    SER  14           H        SER  14  -1.847   3.088   3.808
  121    HA   SER  14           HA       SER  14   0.508   2.102   5.256
  122   1HB   SER  14          2HB       SER  14  -0.680   1.509   7.275
  123   2HB   SER  14          1HB       SER  14  -1.003   3.210   6.954
  124    HG   SER  14           HG       SER  14  -3.011   2.707   6.276
  125    H    ALA  15           H        ALA  15  -0.017   1.099   2.877
  126    HA   ALA  15           HA       ALA  15  -0.410  -0.886   1.720
  127   1HB   ALA  15          1HB       ALA  15  -0.117  -1.586   4.476
  128   2HB   ALA  15          2HB       ALA  15   0.162  -2.604   3.067
  129   3HB   ALA  15          3HB       ALA  15  -1.430  -2.562   3.820
  130    H    PHE  16           H        PHE  16  -2.927  -1.331   4.227
  131    HA   PHE  16           HA       PHE  16  -5.034  -2.074   2.571
  132   1HB   PHE  16          2HB       PHE  16  -4.790  -1.877   5.125
  133   2HB   PHE  16          1HB       PHE  16  -5.350  -0.219   4.928
  134    HD1  PHE  16           1HD      PHE  16  -6.335  -3.662   5.194
  135    HD2  PHE  16           2HD      PHE  16  -7.560   0.156   3.652
  136    HE1  PHE  16           1HE      PHE  16  -8.679  -4.463   5.072
  137    HE2  PHE  16           2HE      PHE  16  -9.904  -0.645   3.530
  138    HZ   PHE  16           HZ       PHE  16 -10.463  -2.954   4.240
  139    H    PHE  17           H        PHE  17  -4.266   1.278   3.579
  140    HA   PHE  17           HA       PHE  17  -6.375   2.572   2.169
  141   1HB   PHE  17          2HB       PHE  17  -4.696   3.437   3.935
  142   2HB   PHE  17          1HB       PHE  17  -3.594   3.691   2.582
  143    HD1  PHE  17           1HD      PHE  17  -6.794   4.714   4.112
  144    HD2  PHE  17           2HD      PHE  17  -4.016   5.402   0.909
  145    HE1  PHE  17           1HE      PHE  17  -7.944   6.844   3.572
  146    HE2  PHE  17           2HE      PHE  17  -5.165   7.532   0.370
  147    HZ   PHE  17           HZ       PHE  17  -7.130   8.253   1.701
  148    H    LEU  18           H        LEU  18  -3.171   1.481   1.122
  149    HA   LEU  18           HA       LEU  18  -3.217   2.779  -1.470
  150   1HB   LEU  18          2HB       LEU  18  -1.721   0.293  -0.561
  151   2HB   LEU  18          1HB       LEU  18  -1.267   1.368  -1.877
  152    HG   LEU  18           HG       LEU  18  -1.310   2.055   1.081
  153   1HD1  LEU  18          1HD1      LEU  18   0.662   0.863   0.704
  154   2HD1  LEU  18          2HD1      LEU  18   1.176   2.525   0.418
  155   3HD1  LEU  18          3HD1      LEU  18   0.827   1.463  -0.946
  156   1HD2  LEU  18          1HD2      LEU  18  -1.819   4.128   0.172
  157   2HD2  LEU  18          2HD2      LEU  18  -1.117   3.728  -1.396
  158   3HD2  LEU  18          3HD2      LEU  18  -0.068   4.151  -0.042
  159    H    PHE  19           H        PHE  19  -4.289  -0.332  -0.195
  160    HA   PHE  19           HA       PHE  19  -4.804  -1.584  -2.763
  161   1HB   PHE  19          2HB       PHE  19  -4.406  -2.616  -0.436
  162   2HB   PHE  19          1HB       PHE  19  -6.090  -2.217  -0.100
  163    HD1  PHE  19           1HD      PHE  19  -7.913  -3.195  -1.518
  164    HD2  PHE  19           2HD      PHE  19  -3.819  -4.446  -1.861
  165    HE1  PHE  19           1HE      PHE  19  -8.639  -5.239  -2.720
  166    HE2  PHE  19           2HE      PHE  19  -4.544  -6.490  -3.064
  167    HZ   PHE  19           HZ       PHE  19  -6.954  -6.887  -3.493
  168    H    CYS  20           H        CYS  20  -6.986  -0.190  -0.270
  169    HA   CYS  20           HA       CYS  20  -9.397  -0.470  -1.774
  170   1HB   CYS  20          2HB       CYS  20 -10.313   0.981  -0.075
  171   2HB   CYS  20          1HB       CYS  20  -9.060   0.020   0.702
  172    HG   CYS  20           HG       CYS  20  -8.450   2.365   1.454
  173    H    SER  21           H        SER  21  -6.914   2.006  -1.806
  174    HA   SER  21           HA       SER  21  -8.381   4.009  -3.277
  175   1HB   SER  21          2HB       SER  21  -6.172   5.042  -3.460
  176   2HB   SER  21          1HB       SER  21  -6.377   4.366  -1.847
  177    HG   SER  21           HG       SER  21  -4.361   3.899  -3.161
  178    H    GLU  22           H        GLU  22  -6.600   1.142  -4.331
  179    HA   GLU  22           HA       GLU  22  -6.798   2.135  -7.152
  180   1HB   GLU  22          2HB       GLU  22  -4.942   0.581  -7.580
  181   2HB   GLU  22          1HB       GLU  22  -4.546   1.676  -6.259
  182   1HG   GLU  22          2HG       GLU  22  -4.123  -0.110  -4.956
  183   2HG   GLU  22          1HG       GLU  22  -5.826  -0.550  -5.062
  184    H    TYR  23           H        TYR  23  -7.821  -0.497  -5.006
  185    HA   TYR  23           HA       TYR  23  -8.592  -2.273  -7.197
  186   1HB   TYR  23          2HB       TYR  23  -8.621  -2.188  -4.233
  187   2HB   TYR  23          1HB       TYR  23  -9.873  -3.184  -4.972
  188    HD1  TYR  23           1HD      TYR  23  -9.355  -5.279  -5.972
  189    HD2  TYR  23           2HD      TYR  23  -6.198  -2.586  -4.864
  190    HE1  TYR  23           1HE      TYR  23  -7.683  -7.055  -6.418
  191    HE2  TYR  23           2HE      TYR  23  -4.525  -4.362  -5.311
  192    HH   TYR  23           HH       TYR  23  -5.417  -7.640  -5.808
  193    H    ARG  24           H        ARG  24 -10.275   0.041  -5.074
  194    HA   ARG  24           HA       ARG  24 -12.947  -0.538  -5.538
  195   1HB   ARG  24          2HB       ARG  24 -11.448   2.069  -5.299
  196   2HB   ARG  24          1HB       ARG  24 -13.211   1.993  -5.347
  197   1HG   ARG  24          2HG       ARG  24 -13.261   0.555  -3.390
  198   2HG   ARG  24          1HG       ARG  24 -11.500   0.459  -3.374
  199   1HD   ARG  24          2HD       ARG  24 -11.769   2.170  -1.834
  200   2HD   ARG  24          1HD       ARG  24 -11.788   3.150  -3.313
  201    HE   ARG  24           HE       ARG  24 -14.363   2.652  -3.238
  202   1HH1  ARG  24          1HH2      ARG  24 -13.828   1.368  -0.457
  203   2HH1  ARG  24          2HH2      ARG  24 -14.375   2.646   0.575
  204   1HH2  ARG  24          1HH1      ARG  24 -14.398   5.029  -1.943
  205   2HH2  ARG  24          2HH1      ARG  24 -14.699   4.719  -0.266
  206    HA   PRO  25           HA       PRO  25 -12.977   2.156  -9.593
  207   1HB   PRO  25          2HB       PRO  25 -10.561   2.335 -10.899
  208   2HB   PRO  25          1HB       PRO  25 -11.175   3.577  -9.786
  209   1HG   PRO  25          2HG       PRO  25  -9.256   1.345  -9.248
  210   2HG   PRO  25          1HG       PRO  25  -9.147   3.055  -8.786
  211   1HD   PRO  25          2HD       PRO  25  -9.924   1.249  -7.018
  212   2HD   PRO  25          1HD       PRO  25 -10.732   2.829  -7.082
  213    H    LYS  26           H        LYS  26 -10.848  -0.594  -9.111
  214    HA   LYS  26           HA       LYS  26 -11.183  -1.804 -11.730
  215   1HB   LYS  26          2HB       LYS  26  -9.452  -2.246  -9.851
  216   2HB   LYS  26          1HB       LYS  26 -10.729  -3.199  -9.088
  217   1HG   LYS  26          2HG       LYS  26  -9.994  -3.679 -11.968
  218   2HG   LYS  26          1HG       LYS  26  -9.046  -4.413 -10.674
  219   1HD   LYS  26          2HD       LYS  26 -11.369  -5.160  -9.736
  220   2HD   LYS  26          1HD       LYS  26 -11.936  -4.857 -11.378
  221   1HE   LYS  26          2HE       LYS  26  -9.466  -6.529 -10.931
  222   2HE   LYS  26          1HE       LYS  26 -11.079  -7.258 -10.806
  223   1HZ   LYS  26          1HZ       LYS  26 -10.081  -5.651 -13.100
  224   2HZ   LYS  26          2HZ       LYS  26 -11.632  -6.335 -12.969
  225   3HZ   LYS  26          3HZ       LYS  26 -10.264  -7.337 -13.089
  226    H    ILE  27           H        ILE  27 -12.716  -2.225  -8.555
  227    HA   ILE  27           HA       ILE  27 -14.594  -4.258  -9.161
  228    HB   ILE  27           HB       ILE  27 -14.817  -1.840  -7.324
  229   1HG1  ILE  27          2HG1      ILE  27 -12.787  -3.136  -6.850
  230   2HG1  ILE  27          1HG1      ILE  27 -13.965  -3.375  -5.571
  231   1HG2  ILE  27          1HG2      ILE  27 -16.977  -2.924  -7.600
  232   2HG2  ILE  27          2HG2      ILE  27 -16.340  -3.300  -6.000
  233   3HG2  ILE  27          3HG2      ILE  27 -16.260  -4.504  -7.286
  234   1HD1  ILE  27          1HD1      ILE  27 -13.227  -5.268  -7.798
  235   2HD1  ILE  27          2HD1      ILE  27 -14.711  -5.458  -6.865
  236   3HD1  ILE  27          3HD1      ILE  27 -13.145  -5.543  -6.057
  237    H    LYS  28           H        LYS  28 -14.650  -0.798  -9.822
  238    HA   LYS  28           HA       LYS  28 -17.481  -0.635 -10.386
  239   1HB   LYS  28          2HB       LYS  28 -15.411   1.244 -11.524
  240   2HB   LYS  28          1HB       LYS  28 -17.030   1.609 -10.945
  241   1HG   LYS  28          2HG       LYS  28 -14.514   1.163  -9.388
  242   2HG   LYS  28          1HG       LYS  28 -15.628   2.504  -9.286
  243   1HD   LYS  28          2HD       LYS  28 -16.045  -0.304  -8.204
  244   2HD   LYS  28          1HD       LYS  28 -15.842   1.176  -7.277
  245   1HE   LYS  28          2HE       LYS  28 -18.119   0.877  -9.256
  246   2HE   LYS  28          1HE       LYS  28 -18.266   0.349  -7.569
  247   1HZ   LYS  28          1HZ       LYS  28 -18.932   2.644  -7.735
  248   2HZ   LYS  28          2HZ       LYS  28 -17.476   3.055  -8.508
  249   3HZ   LYS  28          3HZ       LYS  28 -17.468   2.555  -6.884
  250    H    SER  29           H        SER  29 -14.617  -1.216 -12.397
  251    HA   SER  29           HA       SER  29 -15.907  -0.961 -14.953
  252   1HB   SER  29          2HB       SER  29 -13.453  -0.956 -14.492
  253   2HB   SER  29          1HB       SER  29 -13.548  -2.671 -14.099
  254    HG   SER  29           HG       SER  29 -13.137  -2.793 -16.187
  255    H    GLU  30           H        GLU  30 -15.915  -3.510 -12.560
  256    HA   GLU  30           HA       GLU  30 -17.258  -5.349 -14.511
  257   1HB   GLU  30          2HB       GLU  30 -15.351  -5.657 -12.227
  258   2HB   GLU  30          1HB       GLU  30 -16.485  -6.968 -12.535
  259   1HG   GLU  30          2HG       GLU  30 -15.643  -6.498 -15.063
  260   2HG   GLU  30          1HG       GLU  30 -14.196  -6.025 -14.173
  261    H    HIS  31           H        HIS  31 -17.684  -3.517 -11.604
  262    HA   HIS  31           HA       HIS  31 -20.325  -4.870 -11.170
  263   1HB   HIS  31          2HB       HIS  31 -18.508  -3.733  -9.016
  264   2HB   HIS  31          1HB       HIS  31 -19.985  -4.655  -8.774
  265    HD1  HIS  31           1HD      HIS  31 -16.370  -5.032  -9.620
  266    HD2  HIS  31           2HD      HIS  31 -19.727  -7.476  -9.264
  267    HE1  HIS  31           1HE      HIS  31 -15.518  -7.414  -9.599
  268    HA   PRO  32           HA       PRO  32 -21.029  -0.412 -11.864
  269   1HB   PRO  32          2HB       PRO  32 -23.492  -0.703 -13.020
  270   2HB   PRO  32          1HB       PRO  32 -21.974  -0.847 -13.920
  271   1HG   PRO  32          2HG       PRO  32 -23.796  -2.967 -12.947
  272   2HG   PRO  32          1HG       PRO  32 -22.799  -2.913 -14.408
  273   1HD   PRO  32          2HD       PRO  32 -22.169  -4.322 -12.125
  274   2HD   PRO  32          1HD       PRO  32 -21.001  -3.812 -13.359
  275    H    GLY  33           H        GLY  33 -23.274  -2.844 -10.596
  276   1HA   GLY  33          2HA       GLY  33 -24.898  -0.922  -9.140
  277   2HA   GLY  33          1HA       GLY  33 -24.952  -2.674  -8.961
  278    H    LEU  34           H        LEU  34 -21.883  -2.518  -8.544
  279    HA   LEU  34           HA       LEU  34 -21.778  -2.770  -5.740
  280   1HB   LEU  34          2HB       LEU  34 -20.009  -2.692  -8.009
  281   2HB   LEU  34          1HB       LEU  34 -19.283  -1.763  -6.708
  282    HG   LEU  34           HG       LEU  34 -18.665  -4.200  -6.692
  283   1HD1  LEU  34          1HD1      LEU  34 -19.314  -4.499  -4.219
  284   2HD1  LEU  34          2HD1      LEU  34 -20.117  -2.937  -4.373
  285   3HD1  LEU  34          3HD1      LEU  34 -18.380  -3.066  -4.645
  286   1HD2  LEU  34          1HD2      LEU  34 -21.293  -4.917  -5.505
  287   2HD2  LEU  34          2HD2      LEU  34 -20.212  -5.880  -6.513
  288   3HD2  LEU  34          3HD2      LEU  34 -21.280  -4.689  -7.254
  289    H    SER  35           H        SER  35 -23.010  -0.933  -4.872
  290    HA   SER  35           HA       SER  35 -22.015   1.806  -5.218
  291   1HB   SER  35          2HB       SER  35 -24.391   1.284  -4.864
  292   2HB   SER  35          1HB       SER  35 -24.012   0.515  -3.324
  293    HG   SER  35           HG       SER  35 -24.314   3.152  -3.948
  294    H    ILE  36           H        ILE  36 -21.482   3.073  -3.104
  295    HA   ILE  36           HA       ILE  36 -19.115   2.120  -1.900
  296    HB   ILE  36           HB       ILE  36 -21.216   4.057  -0.865
  297   1HG1  ILE  36          2HG1      ILE  36 -20.311   4.654  -3.084
  298   2HG1  ILE  36          1HG1      ILE  36 -19.728   5.774  -1.858
  299   1HG2  ILE  36          1HG2      ILE  36 -19.204   5.037   0.364
  300   2HG2  ILE  36          2HG2      ILE  36 -18.355   3.539  -0.016
  301   3HG2  ILE  36          3HG2      ILE  36 -19.804   3.500   0.988
  302   1HD1  ILE  36          1HD1      ILE  36 -17.641   4.340  -1.686
  303   2HD1  ILE  36          2HD1      ILE  36 -17.835   5.189  -3.219
  304   3HD1  ILE  36          3HD1      ILE  36 -18.213   3.470  -3.110
  305    H    GLY  37           H        GLY  37 -22.457   1.452  -1.057
  306   1HA   GLY  37          2HA       GLY  37 -22.092   0.551   1.624
  307   2HA   GLY  37          1HA       GLY  37 -23.387   0.017   0.549
  308    H    ASP  38           H        ASP  38 -22.671  -1.614  -1.161
  309    HA   ASP  38           HA       ASP  38 -21.420  -3.883   0.122
  310   1HB   ASP  38          2HB       ASP  38 -23.211  -3.758  -1.728
  311   2HB   ASP  38          1HB       ASP  38 -21.872  -3.477  -2.841
  312    H    THR  39           H        THR  39 -20.234  -1.331  -1.985
  313    HA   THR  39           HA       THR  39 -17.778  -2.628  -2.805
  314    HB   THR  39           HB       THR  39 -18.575   0.294  -2.558
  315    HG1  THR  39           1HG      THR  39 -19.176   0.068  -4.662
  316   1HG2  THR  39          1HG2      THR  39 -16.261  -1.052  -3.979
  317   2HG2  THR  39          2HG2      THR  39 -16.166   0.159  -2.699
  318   3HG2  THR  39          3HG2      THR  39 -16.769   0.607  -4.296
  319    H    ALA  40           H        ALA  40 -18.743  -0.708  -0.009
  320    HA   ALA  40           HA       ALA  40 -16.082  -0.254   1.035
  321   1HB   ALA  40          1HB       ALA  40 -17.976   1.109   1.702
  322   2HB   ALA  40          2HB       ALA  40 -17.423   0.232   3.130
  323   3HB   ALA  40          3HB       ALA  40 -18.858  -0.313   2.262
  324    H    LYS  41           H        LYS  41 -18.560  -2.754   1.552
  325    HA   LYS  41           HA       LYS  41 -16.817  -4.194   3.446
  326   1HB   LYS  41          2HB       LYS  41 -18.793  -5.577   3.787
  327   2HB   LYS  41          1HB       LYS  41 -19.263  -3.882   3.807
  328   1HG   LYS  41          2HG       LYS  41 -19.765  -4.200   1.286
  329   2HG   LYS  41          1HG       LYS  41 -19.690  -5.924   1.628
  330   1HD   LYS  41          2HD       LYS  41 -22.000  -5.228   1.825
  331   2HD   LYS  41          1HD       LYS  41 -21.391  -5.571   3.444
  332   1HE   LYS  41          2HE       LYS  41 -20.777  -2.862   3.066
  333   2HE   LYS  41          1HE       LYS  41 -22.394  -3.052   2.360
  334   1HZ   LYS  41          1HZ       LYS  41 -22.532  -2.689   4.751
  335   2HZ   LYS  41          2HZ       LYS  41 -21.545  -4.042   5.031
  336   3HZ   LYS  41          3HZ       LYS  41 -23.088  -4.240   4.347
  337    H    LYS  42           H        LYS  42 -17.443  -4.261   0.017
  338    HA   LYS  42           HA       LYS  42 -16.800  -7.109  -0.312
  339   1HB   LYS  42          2HB       LYS  42 -18.366  -5.815  -1.766
  340   2HB   LYS  42          1HB       LYS  42 -17.019  -4.807  -2.285
  341   1HG   LYS  42          2HG       LYS  42 -17.491  -6.579  -3.933
  342   2HG   LYS  42          1HG       LYS  42 -15.893  -6.794  -3.226
  343   1HD   LYS  42          2HD       LYS  42 -16.512  -8.688  -2.060
  344   2HD   LYS  42          1HD       LYS  42 -18.184  -8.156  -1.881
  345   1HE   LYS  42          2HE       LYS  42 -18.724  -8.768  -4.133
  346   2HE   LYS  42          1HE       LYS  42 -17.013  -8.983  -4.554
  347   1HZ   LYS  42          1HZ       LYS  42 -18.015 -11.116  -4.050
  348   2HZ   LYS  42          2HZ       LYS  42 -18.527 -10.550  -2.532
  349   3HZ   LYS  42          3HZ       LYS  42 -16.869 -10.723  -2.864
  350    H    LEU  43           H        LEU  43 -14.916  -4.485   0.512
  351    HA   LEU  43           HA       LEU  43 -12.596  -5.232  -1.199
  352   1HB   LEU  43          2HB       LEU  43 -13.320  -2.968   0.666
  353   2HB   LEU  43          1HB       LEU  43 -11.662  -3.186   0.107
  354    HG   LEU  43           HG       LEU  43 -13.956  -3.125  -1.846
  355   1HD1  LEU  43          1HD1      LEU  43 -13.863  -0.780  -2.014
  356   2HD1  LEU  43          2HD1      LEU  43 -12.329  -0.686  -1.148
  357   3HD1  LEU  43          3HD1      LEU  43 -13.816  -1.054  -0.273
  358   1HD2  LEU  43          1HD2      LEU  43 -12.055  -2.219  -3.286
  359   2HD2  LEU  43          2HD2      LEU  43 -11.881  -3.897  -2.771
  360   3HD2  LEU  43          3HD2      LEU  43 -10.970  -2.625  -1.956
  361    H    GLY  44           H        GLY  44 -13.738  -5.183   2.148
  362   1HA   GLY  44          2HA       GLY  44 -11.258  -6.059   3.347
  363   2HA   GLY  44          1HA       GLY  44 -12.851  -6.139   4.107
  364    H    GLU  45           H        GLU  45 -14.028  -7.676   1.897
  365    HA   GLU  45           HA       GLU  45 -13.685 -10.332   2.811
  366   1HB   GLU  45          2HB       GLU  45 -14.731  -8.976   0.354
  367   2HB   GLU  45          1HB       GLU  45 -14.549 -10.729   0.318
  368   1HG   GLU  45          2HG       GLU  45 -15.868 -10.849   2.451
  369   2HG   GLU  45          1HG       GLU  45 -16.157  -9.114   2.315
  370    H    MET  46           H        MET  46 -12.194  -8.738  -0.024
  371    HA   MET  46           HA       MET  46 -10.552 -11.017  -0.762
  372   1HB   MET  46          2HB       MET  46 -10.367  -8.041  -1.355
  373   2HB   MET  46          1HB       MET  46  -9.454  -9.289  -2.202
  374   1HG   MET  46          2HG       MET  46 -11.413 -10.241  -3.144
  375   2HG   MET  46          1HG       MET  46 -12.467  -9.376  -2.026
  376   1HE   MET  46          1HE       MET  46 -10.951  -8.153  -6.058
  377   2HE   MET  46          2HE       MET  46 -11.829  -9.587  -5.532
  378   3HE   MET  46          3HE       MET  46 -10.166  -9.339  -5.006
  379    H    TRP  47           H        TRP  47  -9.886  -7.927   0.902
  380    HA   TRP  47           HA       TRP  47  -7.149  -8.253   1.487
  381   1HB   TRP  47          2HB       TRP  47  -8.649  -6.262   1.886
  382   2HB   TRP  47          1HB       TRP  47  -9.281  -7.093   3.308
  383    HD1  TRP  47           HD       TRP  47  -7.962  -6.852   5.483
  384    HE1  TRP  47           1HE      TRP  47  -5.667  -5.872   6.130
  385    HE3  TRP  47           3HE      TRP  47  -6.063  -5.909   0.836
  386    HZ2  TRP  47           2HZ      TRP  47  -3.335  -4.825   4.846
  387    HZ3  TRP  47           3HZ      TRP  47  -3.806  -4.921   0.577
  388    HH2  TRP  47           HH       TRP  47  -2.440  -4.379   2.574
  389    H    SER  48           H        SER  48  -9.847  -9.076   3.725
  390    HA   SER  48           HA       SER  48  -8.251 -10.437   5.656
  391   1HB   SER  48          2HB       SER  48 -10.561  -9.630   5.992
  392   2HB   SER  48          1HB       SER  48 -11.151 -10.822   4.838
  393    HG   SER  48           HG       SER  48 -11.045 -12.277   6.348
  394    H    GLU  49           H        GLU  49  -9.797 -11.579   2.678
  395    HA   GLU  49           HA       GLU  49  -9.557 -14.388   3.040
  396   1HB   GLU  49          2HB       GLU  49  -9.830 -12.437   0.830
  397   2HB   GLU  49          1HB       GLU  49  -9.156 -13.996   0.356
  398   1HG   GLU  49          2HG       GLU  49 -11.062 -15.176   1.222
  399   2HG   GLU  49          1HG       GLU  49 -11.680 -13.722   2.007
  400    H    GLN  50           H        GLN  50  -7.192 -12.011   1.845
  401    HA   GLN  50           HA       GLN  50  -5.148 -13.908   1.103
  402   1HB   GLN  50          2HB       GLN  50  -5.236 -10.972   1.817
  403   2HB   GLN  50          1HB       GLN  50  -3.721 -11.767   1.387
  404   1HG   GLN  50          2HG       GLN  50  -6.146 -12.040  -0.379
  405   2HG   GLN  50          1HG       GLN  50  -5.096 -10.630  -0.509
  406   1HE2  GLN  50          1HE2      GLN  50  -5.566 -13.480  -2.017
  407   2HE2  GLN  50          2HE2      GLN  50  -3.973 -13.877  -2.444
  408    H    SER  51           H        SER  51  -3.034 -14.100   2.293
  409    HA   SER  51           HA       SER  51  -3.156 -13.673   5.230
  410   1HB   SER  51          2HB       SER  51  -2.797 -16.375   3.894
  411   2HB   SER  51          1HB       SER  51  -2.723 -16.073   5.627
  412    HG   SER  51           HG       SER  51  -4.903 -16.116   3.889
  413    H    ALA  52           H        ALA  52  -1.257 -12.495   5.372
  414    HA   ALA  52           HA       ALA  52   1.041 -11.970   5.217
  415   1HB   ALA  52          1HB       ALA  52   2.431 -13.810   5.755
  416   2HB   ALA  52          2HB       ALA  52   1.422 -14.944   4.856
  417   3HB   ALA  52          3HB       ALA  52   0.853 -14.281   6.388
  418    H    LYS  53           H        LYS  53  -0.276 -11.668   2.768
  419    HA   LYS  53           HA       LYS  53   1.917 -12.291   0.863
  420   1HB   LYS  53          2HB       LYS  53  -0.944 -13.247   0.746
  421   2HB   LYS  53          1HB       LYS  53   0.004 -13.061  -0.729
  422   1HG   LYS  53          2HG       LYS  53   1.741 -14.555   0.207
  423   2HG   LYS  53          1HG       LYS  53   0.767 -14.763   1.663
  424   1HD   LYS  53          2HD       LYS  53   0.200 -16.643   0.362
  425   2HD   LYS  53          1HD       LYS  53  -1.113 -15.511   0.035
  426   1HE   LYS  53          2HE       LYS  53  -0.193 -14.897  -2.087
  427   2HE   LYS  53          1HE       LYS  53   1.356 -15.681  -1.718
  428   1HZ   LYS  53          1HZ       LYS  53  -0.043 -17.118  -3.085
  429   2HZ   LYS  53          2HZ       LYS  53  -1.273 -17.058  -1.913
  430   3HZ   LYS  53          3HZ       LYS  53   0.212 -17.801  -1.553
  431    H    ASP  54           H        ASP  54  -1.464 -11.113   0.709
  432    HA   ASP  54           HA       ASP  54  -1.002  -9.075  -1.219
  433   1HB   ASP  54          2HB       ASP  54  -3.168 -10.147  -0.286
  434   2HB   ASP  54          1HB       ASP  54  -3.057  -8.934   0.990
  435    H    LYS  55           H        LYS  55  -0.635  -9.041   2.311
  436    HA   LYS  55           HA       LYS  55  -0.113  -6.118   2.296
  437   1HB   LYS  55          2HB       LYS  55  -1.555  -7.421   3.973
  438   2HB   LYS  55          1HB       LYS  55  -0.041  -8.037   4.629
  439   1HG   LYS  55          2HG       LYS  55   0.605  -5.452   4.603
  440   2HG   LYS  55          1HG       LYS  55  -1.146  -5.260   4.686
  441   1HD   LYS  55          2HD       LYS  55  -1.243  -6.656   6.689
  442   2HD   LYS  55          1HD       LYS  55   0.491  -6.966   6.584
  443   1HE   LYS  55          2HE       LYS  55  -0.363  -4.103   6.628
  444   2HE   LYS  55          1HE       LYS  55  -0.477  -5.013   8.148
  445   1HZ   LYS  55          1HZ       LYS  55   1.740  -4.084   7.880
  446   2HZ   LYS  55          2HZ       LYS  55   1.912  -4.867   6.382
  447   3HZ   LYS  55          3HZ       LYS  55   1.799  -5.777   7.812
  448    H    GLN  56           H        GLN  56   1.805  -8.317   1.192
  449    HA   GLN  56           HA       GLN  56   4.124  -7.869   3.006
  450   1HB   GLN  56          2HB       GLN  56   3.236  -9.899   1.081
  451   2HB   GLN  56          1HB       GLN  56   4.942  -9.492   0.912
  452   1HG   GLN  56          2HG       GLN  56   3.694 -10.107   3.597
  453   2HG   GLN  56          1HG       GLN  56   4.382 -11.365   2.569
  454   1HE2  GLN  56          1HE2      GLN  56   6.433 -11.851   3.370
  455   2HE2  GLN  56          2HE2      GLN  56   7.585 -10.702   3.855
  456    HA   PRO  57           HA       PRO  57   5.805  -6.003  -0.986
  457   1HB   PRO  57          2HB       PRO  57   4.376  -6.030  -3.296
  458   2HB   PRO  57          1HB       PRO  57   5.397  -7.387  -2.787
  459   1HG   PRO  57          2HG       PRO  57   2.475  -7.111  -2.744
  460   2HG   PRO  57          1HG       PRO  57   3.464  -8.565  -2.899
  461   1HD   PRO  57          2HD       PRO  57   2.143  -7.660  -0.592
  462   2HD   PRO  57          1HD       PRO  57   3.357  -8.953  -0.683
  463    H    TYR  58           H        TYR  58   2.273  -5.586  -0.885
  464    HA   TYR  58           HA       TYR  58   2.364  -2.786  -1.723
  465   1HB   TYR  58          2HB       TYR  58   0.370  -4.842  -0.914
  466   2HB   TYR  58          1HB       TYR  58  -0.117  -3.156  -0.738
  467    HD1  TYR  58           1HD      TYR  58  -0.167  -1.647  -2.705
  468    HD2  TYR  58           2HD      TYR  58   0.713  -5.834  -3.087
  469    HE1  TYR  58           1HE      TYR  58  -0.579  -1.511  -5.148
  470    HE2  TYR  58           2HE      TYR  58   0.301  -5.698  -5.529
  471    HH   TYR  58           HH       TYR  58  -1.245  -3.929  -7.035
  472    H    GLU  59           H        GLU  59   3.375  -4.108   1.140
  473    HA   GLU  59           HA       GLU  59   2.112  -2.064   2.888
  474   1HB   GLU  59          2HB       GLU  59   2.977  -3.466   4.675
  475   2HB   GLU  59          1HB       GLU  59   2.241  -4.506   3.466
  476   1HG   GLU  59          2HG       GLU  59   4.211  -5.656   3.565
  477   2HG   GLU  59          1HG       GLU  59   4.817  -4.360   2.538
  478    H    GLN  60           H        GLN  60   5.100  -2.719   1.217
  479    HA   GLN  60           HA       GLN  60   6.803  -1.064   2.911
  480   1HB   GLN  60          2HB       GLN  60   8.431  -1.494   1.110
  481   2HB   GLN  60          1HB       GLN  60   7.590  -2.980   1.541
  482   1HG   GLN  60          2HG       GLN  60   5.947  -2.027  -0.418
  483   2HG   GLN  60          1HG       GLN  60   7.504  -1.420  -0.977
  484   1HE2  GLN  60          1HE2      GLN  60   7.906  -2.920  -2.675
  485   2HE2  GLN  60          2HE2      GLN  60   8.058  -4.592  -2.426
  486    H    LYS  61           H        LYS  61   4.673  -0.519   0.185
  487    HA   LYS  61           HA       LYS  61   5.742   1.891  -0.887
  488   1HB   LYS  61          2HB       LYS  61   3.916   0.517  -1.855
  489   2HB   LYS  61          1HB       LYS  61   2.857   1.005  -0.532
  490   1HG   LYS  61          2HG       LYS  61   2.765   3.241  -1.269
  491   2HG   LYS  61          1HG       LYS  61   4.207   3.066  -2.270
  492   1HD   LYS  61          2HD       LYS  61   2.858   1.348  -3.624
  493   2HD   LYS  61          1HD       LYS  61   1.439   1.970  -2.783
  494   1HE   LYS  61          2HE       LYS  61   1.489   3.320  -4.709
  495   2HE   LYS  61          1HE       LYS  61   2.388   4.321  -3.552
  496   1HZ   LYS  61          1HZ       LYS  61   3.620   4.025  -5.634
  497   2HZ   LYS  61          2HZ       LYS  61   3.601   2.341  -5.410
  498   3HZ   LYS  61          3HZ       LYS  61   4.443   3.336  -4.321
  499    H    ALA  62           H        ALA  62   3.406   1.402   1.781
  500    HA   ALA  62           HA       ALA  62   3.124   4.226   2.379
  501   1HB   ALA  62          1HB       ALA  62   1.367   2.785   3.034
  502   2HB   ALA  62          2HB       ALA  62   2.186   3.149   4.554
  503   3HB   ALA  62          3HB       ALA  62   2.478   1.611   3.740
  504    H    ALA  63           H        ALA  63   5.679   2.015   2.953
  505    HA   ALA  63           HA       ALA  63   6.595   3.248   5.469
  506   1HB   ALA  63          1HB       ALA  63   6.800   0.803   4.781
  507   2HB   ALA  63          2HB       ALA  63   8.298   1.553   5.335
  508   3HB   ALA  63          3HB       ALA  63   8.012   1.321   3.610
  509    H    LYS  64           H        LYS  64   6.602   4.311   2.324
  510    HA   LYS  64           HA       LYS  64   9.350   5.473   2.428
  511   1HB   LYS  64          2HB       LYS  64   7.258   4.993   0.295
  512   2HB   LYS  64          1HB       LYS  64   8.667   6.005  -0.002
  513   1HG   LYS  64          2HG       LYS  64   8.913   3.195   1.077
  514   2HG   LYS  64          1HG       LYS  64   8.875   3.528  -0.654
  515   1HD   LYS  64          2HD       LYS  64  10.853   4.899  -0.513
  516   2HD   LYS  64          1HD       LYS  64  10.827   4.847   1.250
  517   1HE   LYS  64          2HE       LYS  64  12.466   3.227   0.624
  518   2HE   LYS  64          1HE       LYS  64  11.014   2.268   0.976
  519   1HZ   LYS  64          1HZ       LYS  64  11.934   1.659  -1.176
  520   2HZ   LYS  64          2HZ       LYS  64  11.825   3.271  -1.703
  521   3HZ   LYS  64          3HZ       LYS  64  10.414   2.387  -1.367
  522    H    LEU  65           H        LEU  65   5.919   6.222   2.274
  523    HA   LEU  65           HA       LEU  65   6.285   9.116   2.012
  524   1HB   LEU  65          2HB       LEU  65   4.025   7.170   2.409
  525   2HB   LEU  65          1HB       LEU  65   3.731   8.899   2.585
  526    HG   LEU  65           HG       LEU  65   5.049   9.011   0.282
  527   1HD1  LEU  65          1HD1      LEU  65   4.048   6.173   0.498
  528   2HD1  LEU  65          2HD1      LEU  65   5.629   6.741  -0.037
  529   3HD1  LEU  65          3HD1      LEU  65   4.217   6.962  -1.070
  530   1HD2  LEU  65          1HD2      LEU  65   2.613   9.604   0.851
  531   2HD2  LEU  65          2HD2      LEU  65   2.204   7.987   0.280
  532   3HD2  LEU  65          3HD2      LEU  65   2.941   9.150  -0.821
  533    H    LYS  66           H        LYS  66   6.921   7.125   4.593
  534    HA   LYS  66           HA       LYS  66   5.704   8.871   6.667
  535   1HB   LYS  66          2HB       LYS  66   5.675   6.306   6.650
  536   2HB   LYS  66          1HB       LYS  66   7.404   6.385   6.990
  537   1HG   LYS  66          2HG       LYS  66   7.024   7.569   9.052
  538   2HG   LYS  66          1HG       LYS  66   5.314   7.780   8.678
  539   1HD   LYS  66          2HD       LYS  66   4.999   5.327   8.751
  540   2HD   LYS  66          1HD       LYS  66   6.704   5.128   9.157
  541   1HE   LYS  66          2HE       LYS  66   6.377   6.439  11.227
  542   2HE   LYS  66          1HE       LYS  66   4.660   6.642  10.824
  543   1HZ   LYS  66          1HZ       LYS  66   4.966   4.726  12.263
  544   2HZ   LYS  66          2HZ       LYS  66   6.075   4.050  11.168
  545   3HZ   LYS  66          3HZ       LYS  66   4.444   4.228  10.727
  546    H    GLU  67           H        GLU  67   8.784   8.079   5.165
  547    HA   GLU  67           HA       GLU  67  10.392   9.430   7.225
  548   1HB   GLU  67          2HB       GLU  67  10.787   7.923   4.672
  549   2HB   GLU  67          1HB       GLU  67  12.090   8.989   5.204
  550   1HG   GLU  67          2HG       GLU  67  12.261   7.845   7.321
  551   2HG   GLU  67          1HG       GLU  67  10.809   6.902   6.986
  552    H    LYS  68           H        LYS  68   8.638  10.372   4.402
  553    HA   LYS  68           HA       LYS  68  10.279  12.843   4.048
  554   1HB   LYS  68          2HB       LYS  68   8.366  11.209   2.416
  555   2HB   LYS  68          1HB       LYS  68   8.528  12.924   2.040
  556   1HG   LYS  68          2HG       LYS  68  10.979  11.213   2.376
  557   2HG   LYS  68          1HG       LYS  68  10.109  11.226   0.842
  558   1HD   LYS  68          2HD       LYS  68  10.240  13.823   1.069
  559   2HD   LYS  68          1HD       LYS  68  11.537  13.489   2.218
  560   1HE   LYS  68          2HE       LYS  68  12.918  12.532   0.580
  561   2HE   LYS  68          1HE       LYS  68  11.552  12.167  -0.494
  562   1HZ   LYS  68          1HZ       LYS  68  12.810  14.148  -1.209
  563   2HZ   LYS  68          2HZ       LYS  68  12.424  14.906   0.262
  564   3HZ   LYS  68          3HZ       LYS  68  11.194  14.504  -0.839
  565    H    TYR  69           H        TYR  69   7.117  11.640   5.009
  566    HA   TYR  69           HA       TYR  69   5.780  14.229   5.048
  567   1HB   TYR  69          2HB       TYR  69   4.520  12.188   4.761
  568   2HB   TYR  69          1HB       TYR  69   5.238  11.471   6.199
  569    HD1  TYR  69           1HD      TYR  69   3.522  11.139   7.748
  570    HD2  TYR  69           2HD      TYR  69   3.732  14.870   5.628
  571    HE1  TYR  69           1HE      TYR  69   1.666  12.029   9.130
  572    HE2  TYR  69           2HE      TYR  69   1.873  15.756   7.010
  573    HH   TYR  69           HH       TYR  69  -0.202  14.060   8.606
  574    H    GLU  70           H        GLU  70   6.982  12.043   7.627
  575    HA   GLU  70           HA       GLU  70   6.525  13.843   9.804
  576   1HB   GLU  70          2HB       GLU  70   8.362  11.487   9.335
  577   2HB   GLU  70          1HB       GLU  70   8.236  12.284  10.904
  578   1HG   GLU  70          2HG       GLU  70   5.790  11.307   9.429
  579   2HG   GLU  70          1HG       GLU  70   6.706  10.248  10.502
  580    H    LYS  71           H        LYS  71   8.944  13.957   7.333
  581    HA   LYS  71           HA       LYS  71  10.732  15.628   9.052
  582   1HB   LYS  71          2HB       LYS  71  11.048  13.979   6.549
  583   2HB   LYS  71          1HB       LYS  71  12.250  15.197   6.975
  584   1HG   LYS  71          2HG       LYS  71  11.360  13.212   9.045
  585   2HG   LYS  71          1HG       LYS  71  12.548  12.731   7.834
  586   1HD   LYS  71          2HD       LYS  71  13.684  15.028   8.518
  587   2HD   LYS  71          1HD       LYS  71  12.782  14.772  10.013
  588   1HE   LYS  71          2HE       LYS  71  14.390  12.500   8.867
  589   2HE   LYS  71          1HE       LYS  71  15.202  13.764   9.810
  590   1HZ   LYS  71          1HZ       LYS  71  12.814  12.217  10.669
  591   2HZ   LYS  71          2HZ       LYS  71  13.550  13.463  11.559
  592   3HZ   LYS  71          3HZ       LYS  71  14.389  12.015  11.266
  593    H    ASP  72           H        ASP  72   8.831  15.638   6.056
  594    HA   ASP  72           HA       ASP  72   9.755  18.346   5.324
  595   1HB   ASP  72          2HB       ASP  72   9.292  16.387   3.758
  596   2HB   ASP  72          1HB       ASP  72   7.579  16.647   4.087
  597    H    ILE  73           H        ILE  73   6.796  16.797   6.583
  598    HA   ILE  73           HA       ILE  73   5.102  19.099   6.343
  599    HB   ILE  73           HB       ILE  73   4.599  16.579   6.746
  600   1HG1  ILE  73          2HG1      ILE  73   2.507  17.317   8.145
  601   2HG1  ILE  73          1HG1      ILE  73   3.163  18.940   7.916
  602   1HG2  ILE  73          1HG2      ILE  73   4.550  17.424   9.645
  603   2HG2  ILE  73          2HG2      ILE  73   5.949  16.606   8.949
  604   3HG2  ILE  73          3HG2      ILE  73   4.379  15.802   8.972
  605   1HD1  ILE  73          1HD1      ILE  73   2.669  16.988   5.650
  606   2HD1  ILE  73          2HD1      ILE  73   3.117  18.688   5.508
  607   3HD1  ILE  73          3HD1      ILE  73   1.527  18.243   6.129
  608    H    ALA  74           H        ALA  74   7.655  18.376   8.580
  609    HA   ALA  74           HA       ALA  74   6.750  19.946  10.831
  610   1HB   ALA  74          1HB       ALA  74   9.513  19.161   9.839
  611   2HB   ALA  74          2HB       ALA  74   8.509  18.234  10.955
  612   3HB   ALA  74          3HB       ALA  74   9.166  19.794  11.449
  613    H    ALA  75           H        ALA  75   8.900  20.663   8.068
  614    HA   ALA  75           HA       ALA  75   9.116  23.503   8.836
  615   1HB   ALA  75          1HB       ALA  75  10.079  21.970   6.399
  616   2HB   ALA  75          2HB       ALA  75  10.989  22.134   7.901
  617   3HB   ALA  75          3HB       ALA  75  10.643  23.557   6.919
  618    H    TYR  76           H        TYR  76   7.278  21.493   6.620
  619    HA   TYR  76           HA       TYR  76   6.439  23.467   4.730
  620   1HB   TYR  76          2HB       TYR  76   6.193  20.961   4.608
  621   2HB   TYR  76          1HB       TYR  76   4.900  21.079   5.803
  622    HD1  TYR  76           1HD      TYR  76   2.709  21.286   5.036
  623    HD2  TYR  76           2HD      TYR  76   5.938  22.636   2.546
  624    HE1  TYR  76           1HE      TYR  76   1.092  21.830   3.236
  625    HE2  TYR  76           2HE      TYR  76   4.321  23.179   0.745
  626    HH   TYR  76           HH       TYR  76   1.267  23.666   1.104
  627    H    ARG  77           H        ARG  77   4.836  22.315   7.723
  628    HA   ARG  77           HA       ARG  77   3.040  24.705   7.622
  629   1HB   ARG  77          2HB       ARG  77   2.938  21.959   8.866
  630   2HB   ARG  77          1HB       ARG  77   1.845  23.235   9.406
  631   1HG   ARG  77          2HG       ARG  77   0.836  23.431   7.271
  632   2HG   ARG  77          1HG       ARG  77   2.141  22.545   6.481
  633   1HD   ARG  77          2HD       ARG  77   1.445  20.463   7.461
  634   2HD   ARG  77          1HD       ARG  77   0.315  21.287   8.555
  635    HE   ARG  77           HE       ARG  77  -0.076  20.897   5.646
  636   1HH1  ARG  77          1HH2      ARG  77  -2.008  20.376   8.014
  637   2HH1  ARG  77          2HH2      ARG  77  -3.166  21.637   7.747
  638   1HH2  ARG  77          1HH1      ARG  77  -1.143  23.396   5.548
  639   2HH2  ARG  77          2HH1      ARG  77  -2.676  23.346   6.351
  640    H    ALA  78           H        ALA  78   5.977  24.112   8.902
  641    HA   ALA  78           HA       ALA  78   7.163  24.929  10.766
  642   1HB   ALA  78          1HB       ALA  78   4.788  26.704  11.302
  643   2HB   ALA  78          2HB       ALA  78   5.742  26.933   9.837
  644   3HB   ALA  78          3HB       ALA  78   6.505  27.089  11.419
  645    H    LYS  79           H        LYS  79   6.462  22.669  11.618
  646    HA   LYS  79           HA       LYS  79   4.558  22.871  13.913
  647   1HB   LYS  79          2HB       LYS  79   4.812  21.060  11.891
  648   2HB   LYS  79          1HB       LYS  79   5.797  20.292  13.135
  649   1HG   LYS  79          2HG       LYS  79   3.748  19.455  13.762
  650   2HG   LYS  79          1HG       LYS  79   3.697  20.974  14.657
  651   1HD   LYS  79          2HD       LYS  79   2.749  21.824  12.269
  652   2HD   LYS  79          1HD       LYS  79   2.188  20.152  12.233
  653   1HE   LYS  79          2HE       LYS  79   1.232  20.531  14.563
  654   2HE   LYS  79          1HE       LYS  79   1.575  22.257  14.329
  655   1HZ   LYS  79          1HZ       LYS  79  -0.675  21.615  13.572
  656   2HZ   LYS  79          2HZ       LYS  79   0.029  20.576  12.427
  657   3HZ   LYS  79          3HZ       LYS  79   0.282  22.252  12.325
  Start of MODEL   18
    1   1H    MET   1          1HT       MET   1 -13.234  23.779  -3.265
    2   2H    MET   1          2HT       MET   1 -13.867  22.575  -4.282
    3   3H    MET   1          3HT       MET   1 -12.518  23.484  -4.772
    4    HA   MET   1           HA       MET   1 -12.580  21.560  -2.500
    5   1HB   MET   1          2HB       MET   1 -12.720  20.841  -5.001
    6   2HB   MET   1          1HB       MET   1 -11.046  21.391  -5.092
    7   1HG   MET   1          2HG       MET   1 -10.494  19.890  -3.170
    8   2HG   MET   1          1HG       MET   1 -12.147  19.277  -3.218
    9   1HE   MET   1          1HE       MET   1  -8.925  19.910  -4.880
   10   2HE   MET   1          2HE       MET   1  -8.660  18.595  -6.021
   11   3HE   MET   1          3HE       MET   1  -8.643  18.266  -4.291
   12    H    LYS   2           H        LYS   2 -10.970  21.970  -1.044
   13    HA   LYS   2           HA       LYS   2  -8.761  23.833  -1.848
   14   1HB   LYS   2          2HB       LYS   2 -10.375  23.346   0.631
   15   2HB   LYS   2          1HB       LYS   2  -8.732  23.964   0.807
   16   1HG   LYS   2          2HG       LYS   2  -9.874  25.964   0.594
   17   2HG   LYS   2          1HG       LYS   2  -9.537  25.633  -1.106
   18   1HD   LYS   2          2HD       LYS   2 -11.853  26.148  -1.048
   19   2HD   LYS   2          1HD       LYS   2 -11.793  24.387  -1.128
   20   1HE   LYS   2          2HE       LYS   2 -11.697  24.846   1.595
   21   2HE   LYS   2          1HE       LYS   2 -12.783  26.126   1.020
   22   1HZ   LYS   2          1HZ       LYS   2 -14.009  24.073   1.393
   23   2HZ   LYS   2          2HZ       LYS   2 -12.981  23.243   0.326
   24   3HZ   LYS   2          3HZ       LYS   2 -14.002  24.469  -0.256
   25    H    LYS   3           H        LYS   3  -6.634  23.355  -0.850
   26    HA   LYS   3           HA       LYS   3  -6.114  20.827   0.451
   27   1HB   LYS   3          2HB       LYS   3  -6.615  20.595  -2.204
   28   2HB   LYS   3          1HB       LYS   3  -4.879  20.904  -2.252
   29   1HG   LYS   3          2HG       LYS   3  -4.491  19.055  -0.678
   30   2HG   LYS   3          1HG       LYS   3  -6.227  18.753  -0.592
   31   1HD   LYS   3          2HD       LYS   3  -5.935  18.646  -3.257
   32   2HD   LYS   3          1HD       LYS   3  -4.305  18.158  -2.792
   33   1HE   LYS   3          2HE       LYS   3  -5.582  16.552  -1.120
   34   2HE   LYS   3          1HE       LYS   3  -6.912  16.761  -2.276
   35   1HZ   LYS   3          1HZ       LYS   3  -4.133  15.921  -2.914
   36   2HZ   LYS   3          2HZ       LYS   3  -5.331  16.251  -4.072
   37   3HZ   LYS   3          3HZ       LYS   3  -5.521  14.949  -2.998
   38    H    LYS   4           H        LYS   4  -3.894  20.676   1.101
   39    HA   LYS   4           HA       LYS   4  -2.503  23.118   1.538
   40   1HB   LYS   4          2HB       LYS   4  -1.787  20.186   1.634
   41   2HB   LYS   4          1HB       LYS   4  -0.598  21.424   2.042
   42   1HG   LYS   4          2HG       LYS   4  -1.505  21.128   4.135
   43   2HG   LYS   4          1HG       LYS   4  -2.648  22.325   3.524
   44   1HD   LYS   4          2HD       LYS   4  -4.291  20.703   3.059
   45   2HD   LYS   4          1HD       LYS   4  -3.123  19.381   3.091
   46   1HE   LYS   4          2HE       LYS   4  -4.305  19.216   5.167
   47   2HE   LYS   4          1HE       LYS   4  -2.772  20.007   5.584
   48   1HZ   LYS   4          1HZ       LYS   4  -3.836  22.155   5.314
   49   2HZ   LYS   4          2HZ       LYS   4  -4.669  21.236   6.475
   50   3HZ   LYS   4          3HZ       LYS   4  -5.305  21.409   4.909
   51    H    ASP   5           H        ASP   5  -1.169  20.418  -0.385
   52    HA   ASP   5           HA       ASP   5  -0.612  22.126  -2.701
   53   1HB   ASP   5          2HB       ASP   5   1.336  21.611  -0.514
   54   2HB   ASP   5          1HB       ASP   5   1.963  21.469  -2.157
   55    HA   PRO   6           HA       PRO   6  -0.475  18.116  -4.542
   56   1HB   PRO   6          2HB       PRO   6   1.058  18.572  -6.762
   57   2HB   PRO   6          1HB       PRO   6  -0.615  19.144  -6.610
   58   1HG   PRO   6          2HG       PRO   6   1.934  20.636  -6.260
   59   2HG   PRO   6          1HG       PRO   6   0.410  21.160  -6.993
   60   1HD   PRO   6          2HD       PRO   6   1.194  21.857  -4.473
   61   2HD   PRO   6          1HD       PRO   6  -0.506  21.747  -4.983
   62    H    ASN   7           H        ASN   7   2.704  19.764  -4.545
   63    HA   ASN   7           HA       ASN   7   4.185  17.237  -4.437
   64   1HB   ASN   7          2HB       ASN   7   4.812  19.493  -5.524
   65   2HB   ASN   7          1HB       ASN   7   5.218  20.022  -3.890
   66   1HD2  ASN   7          1HD2      ASN   7   7.449  19.859  -3.632
   67   2HD2  ASN   7          2HD2      ASN   7   8.397  18.554  -4.160
   68    H    ALA   8           H        ALA   8   2.411  18.788  -2.081
   69    HA   ALA   8           HA       ALA   8   4.373  18.440   0.113
   70   1HB   ALA   8          1HB       ALA   8   2.545  19.498   1.424
   71   2HB   ALA   8          2HB       ALA   8   1.499  19.415   0.008
   72   3HB   ALA   8          3HB       ALA   8   2.935  20.439  -0.015
   73    HA   PRO   9           HA       PRO   9   2.635  14.439   0.985
   74   1HB   PRO   9          2HB       PRO   9   3.724  14.018   3.451
   75   2HB   PRO   9          1HB       PRO   9   4.669  13.910   1.955
   76   1HG   PRO   9          2HG       PRO   9   4.579  16.061   3.985
   77   2HG   PRO   9          1HG       PRO   9   5.921  15.516   2.972
   78   1HD   PRO   9          2HD       PRO   9   4.377  17.784   2.527
   79   2HD   PRO   9          1HD       PRO   9   5.404  16.981   1.322
   80    H    LYS  10           H        LYS  10   0.400  15.274   1.203
   81    HA   LYS  10           HA       LYS  10  -0.410  15.879   3.987
   82   1HB   LYS  10          2HB       LYS  10  -2.331  17.003   2.941
   83   2HB   LYS  10          1HB       LYS  10  -0.823  17.596   2.251
   84   1HG   LYS  10          2HG       LYS  10  -1.499  15.383   0.660
   85   2HG   LYS  10          1HG       LYS  10  -3.028  16.212   0.942
   86   1HD   LYS  10          2HD       LYS  10  -2.179  18.271   0.056
   87   2HD   LYS  10          1HD       LYS  10  -0.527  17.653   0.034
   88   1HE   LYS  10          2HE       LYS  10  -2.546  16.080  -1.496
   89   2HE   LYS  10          1HE       LYS  10  -2.063  17.646  -2.177
   90   1HZ   LYS  10          1HZ       LYS  10  -0.187  15.547  -1.223
   91   2HZ   LYS  10          2HZ       LYS  10   0.244  17.034  -1.923
   92   3HZ   LYS  10          3HZ       LYS  10  -0.550  15.852  -2.851
   93    H    ARG  11           H        ARG  11   0.009  13.176   2.738
   94    HA   ARG  11           HA       ARG  11  -2.492  11.953   3.705
   95   1HB   ARG  11          2HB       ARG  11  -2.891  12.651   1.325
   96   2HB   ARG  11          1HB       ARG  11  -1.559  11.602   0.838
   97   1HG   ARG  11          2HG       ARG  11  -2.749   9.674   1.231
   98   2HG   ARG  11          1HG       ARG  11  -3.667  10.391   2.555
   99   1HD   ARG  11          2HD       ARG  11  -4.218  11.645  -0.051
  100   2HD   ARG  11          1HD       ARG  11  -4.686   9.938   0.037
  101    HE   ARG  11           HE       ARG  11  -5.494  11.202   2.462
  102   1HH1  ARG  11          1HH2      ARG  11  -6.930   9.691   0.021
  103   2HH1  ARG  11          2HH2      ARG  11  -8.253  10.784  -0.205
  104   1HH2  ARG  11          1HH1      ARG  11  -6.877  13.278   1.772
  105   2HH2  ARG  11          2HH1      ARG  11  -8.223  12.816   0.786
  106    HA   PRO  12           HA       PRO  12   1.193   9.335   4.399
  107   1HB   PRO  12          2HB       PRO  12   0.451   8.428   6.864
  108   2HB   PRO  12          1HB       PRO  12   1.291   9.970   6.612
  109   1HG   PRO  12          2HG       PRO  12  -1.569   9.444   7.170
  110   2HG   PRO  12          1HG       PRO  12  -0.546  10.800   7.656
  111   1HD   PRO  12          2HD       PRO  12  -2.390  10.863   5.598
  112   2HD   PRO  12          1HD       PRO  12  -1.030  11.989   5.789
  113    HA   PRO  13           HA       PRO  13  -1.508   5.908   3.172
  114   1HB   PRO  13          2HB       PRO  13   0.366   4.537   1.729
  115   2HB   PRO  13          1HB       PRO  13  -0.516   5.933   1.084
  116   1HG   PRO  13          2HG       PRO  13   2.272   5.737   2.021
  117   2HG   PRO  13          1HG       PRO  13   1.554   6.818   0.822
  118   1HD   PRO  13          2HD       PRO  13   2.219   7.466   3.472
  119   2HD   PRO  13          1HD       PRO  13   1.237   8.442   2.364
  120    H    SER  14           H        SER  14  -1.392   3.502   3.595
  121    HA   SER  14           HA       SER  14   0.785   2.551   5.350
  122   1HB   SER  14          2HB       SER  14  -0.704   2.226   7.258
  123   2HB   SER  14          1HB       SER  14  -0.766   3.916   6.762
  124    HG   SER  14           HG       SER  14  -2.764   3.648   6.082
  125    H    ALA  15           H        ALA  15   0.189   1.445   2.910
  126    HA   ALA  15           HA       ALA  15  -0.222  -0.629   1.913
  127   1HB   ALA  15          1HB       ALA  15  -1.253  -2.097   4.181
  128   2HB   ALA  15          2HB       ALA  15   0.139  -1.141   4.687
  129   3HB   ALA  15          3HB       ALA  15   0.294  -2.288   3.358
  130    H    PHE  16           H        PHE  16  -2.710  -0.792   4.488
  131    HA   PHE  16           HA       PHE  16  -4.868  -1.626   2.944
  132   1HB   PHE  16          2HB       PHE  16  -4.615  -1.224   5.453
  133   2HB   PHE  16          1HB       PHE  16  -5.040   0.455   5.128
  134    HD1  PHE  16           1HD      PHE  16  -7.296   1.095   4.967
  135    HD2  PHE  16           2HD      PHE  16  -6.231  -3.043   4.544
  136    HE1  PHE  16           1HE      PHE  16  -9.698   0.482   4.914
  137    HE2  PHE  16           2HE      PHE  16  -8.633  -3.657   4.493
  138    HZ   PHE  16           HZ       PHE  16 -10.367  -1.895   4.676
  139    H    PHE  17           H        PHE  17  -4.044   1.790   3.657
  140    HA   PHE  17           HA       PHE  17  -6.093   3.024   2.118
  141   1HB   PHE  17          2HB       PHE  17  -4.235   3.909   3.776
  142   2HB   PHE  17          1HB       PHE  17  -3.304   4.139   2.296
  143    HD1  PHE  17           1HD      PHE  17  -6.316   5.159   4.166
  144    HD2  PHE  17           2HD      PHE  17  -3.964   5.778   0.625
  145    HE1  PHE  17           1HE      PHE  17  -7.566   7.250   3.701
  146    HE2  PHE  17           2HE      PHE  17  -5.214   7.869   0.159
  147    HZ   PHE  17           HZ       PHE  17  -7.015   8.606   1.698
  148    H    LEU  18           H        LEU  18  -2.844   1.902   1.190
  149    HA   LEU  18           HA       LEU  18  -2.848   2.872  -1.503
  150   1HB   LEU  18          2HB       LEU  18  -1.515   0.400  -0.344
  151   2HB   LEU  18          1HB       LEU  18  -1.008   1.279  -1.781
  152    HG   LEU  18           HG       LEU  18  -0.970   2.308   1.078
  153   1HD1  LEU  18          1HD1      LEU  18   0.881   0.850   0.680
  154   2HD1  LEU  18          2HD1      LEU  18   1.504   2.492   0.520
  155   3HD1  LEU  18          3HD1      LEU  18   1.162   1.534  -0.921
  156   1HD2  LEU  18          1HD2      LEU  18   0.356   4.203  -0.241
  157   2HD2  LEU  18          2HD2      LEU  18  -1.400   4.276  -0.096
  158   3HD2  LEU  18          3HD2      LEU  18  -0.662   3.672  -1.580
  159    H    PHE  19           H        PHE  19  -3.822  -0.284  -0.120
  160    HA   PHE  19           HA       PHE  19  -4.495  -1.534  -2.619
  161   1HB   PHE  19          2HB       PHE  19  -4.061  -2.632  -0.398
  162   2HB   PHE  19          1HB       PHE  19  -5.620  -2.024   0.157
  163    HD1  PHE  19           1HD      PHE  19  -3.955  -4.257  -2.293
  164    HD2  PHE  19           2HD      PHE  19  -7.682  -3.033  -0.545
  165    HE1  PHE  19           1HE      PHE  19  -5.086  -6.192  -3.354
  166    HE2  PHE  19           2HE      PHE  19  -8.814  -4.969  -1.604
  167    HZ   PHE  19           HZ       PHE  19  -7.517  -6.548  -3.009
  168    H    CYS  20           H        CYS  20  -6.584  -0.012  -0.132
  169    HA   CYS  20           HA       CYS  20  -9.024  -0.240  -1.660
  170   1HB   CYS  20          2HB       CYS  20  -8.784   0.096   0.817
  171   2HB   CYS  20          1HB       CYS  20  -8.250   1.748   0.501
  172    HG   CYS  20           HG       CYS  20 -10.990   1.340   0.884
  173    H    SER  21           H        SER  21  -6.360   1.999  -1.767
  174    HA   SER  21           HA       SER  21  -7.762   4.236  -2.958
  175   1HB   SER  21          2HB       SER  21  -4.943   3.359  -2.496
  176   2HB   SER  21          1HB       SER  21  -5.224   4.675  -3.632
  177    HG   SER  21           HG       SER  21  -4.942   5.234  -1.327
  178    H    GLU  22           H        GLU  22  -6.474   1.245  -4.306
  179    HA   GLU  22           HA       GLU  22  -6.964   2.383  -7.041
  180   1HB   GLU  22          2HB       GLU  22  -5.082   0.960  -7.773
  181   2HB   GLU  22          1HB       GLU  22  -4.585   2.095  -6.520
  182   1HG   GLU  22          2HG       GLU  22  -4.783   0.336  -4.820
  183   2HG   GLU  22          1HG       GLU  22  -5.346  -0.803  -6.042
  184    H    TYR  23           H        TYR  23  -7.761  -0.230  -4.858
  185    HA   TYR  23           HA       TYR  23  -8.505  -2.080  -7.031
  186   1HB   TYR  23          2HB       TYR  23  -8.335  -2.056  -4.054
  187   2HB   TYR  23          1HB       TYR  23  -9.432  -3.220  -4.791
  188    HD1  TYR  23           1HD      TYR  23  -5.905  -2.086  -4.621
  189    HD2  TYR  23           2HD      TYR  23  -8.614  -5.094  -6.062
  190    HE1  TYR  23           1HE      TYR  23  -3.983  -3.542  -5.197
  191    HE2  TYR  23           2HE      TYR  23  -6.690  -6.549  -6.638
  192    HH   TYR  23           HH       TYR  23  -4.295  -6.812  -5.886
  193    H    ARG  24           H        ARG  24  -9.969   0.667  -6.317
  194    HA   ARG  24           HA       ARG  24 -12.688  -0.358  -5.816
  195   1HB   ARG  24          2HB       ARG  24 -11.532   2.416  -6.153
  196   2HB   ARG  24          1HB       ARG  24 -13.218   2.065  -5.759
  197   1HG   ARG  24          2HG       ARG  24 -12.490   0.848  -3.736
  198   2HG   ARG  24          1HG       ARG  24 -10.813   1.241  -4.114
  199   1HD   ARG  24          2HD       ARG  24 -11.307   3.002  -2.672
  200   2HD   ARG  24          1HD       ARG  24 -11.832   3.729  -4.204
  201    HE   ARG  24           HE       ARG  24 -13.778   2.159  -2.573
  202   1HH1  ARG  24          1HH2      ARG  24 -13.890   4.044  -5.179
  203   2HH1  ARG  24          2HH2      ARG  24 -14.877   5.309  -4.525
  204   1HH2  ARG  24          1HH1      ARG  24 -14.549   4.228  -1.246
  205   2HH2  ARG  24          2HH1      ARG  24 -15.249   5.413  -2.298
  206    HA   PRO  25           HA       PRO  25 -13.299   1.640 -10.153
  207   1HB   PRO  25          2HB       PRO  25 -11.120   1.757 -11.808
  208   2HB   PRO  25          1HB       PRO  25 -11.653   3.107 -10.787
  209   1HG   PRO  25          2HG       PRO  25  -9.460   1.151 -10.346
  210   2HG   PRO  25          1HG       PRO  25  -9.517   2.885  -9.992
  211   1HD   PRO  25          2HD       PRO  25  -9.822   0.971  -8.117
  212   2HD   PRO  25          1HD       PRO  25 -10.574   2.571  -7.977
  213    H    LYS  26           H        LYS  26 -11.274  -1.038  -9.346
  214    HA   LYS  26           HA       LYS  26 -11.634  -2.579 -11.797
  215   1HB   LYS  26          2HB       LYS  26  -9.842  -2.835  -9.990
  216   2HB   LYS  26          1HB       LYS  26 -11.107  -3.509  -8.957
  217   1HG   LYS  26          2HG       LYS  26 -10.678  -4.637 -11.711
  218   2HG   LYS  26          1HG       LYS  26  -9.621  -5.133 -10.389
  219   1HD   LYS  26          2HD       LYS  26 -11.842  -5.532  -9.079
  220   2HD   LYS  26          1HD       LYS  26 -12.589  -5.533 -10.677
  221   1HE   LYS  26          2HE       LYS  26 -12.063  -7.814 -10.348
  222   2HE   LYS  26          1HE       LYS  26 -10.667  -7.231 -11.277
  223   1HZ   LYS  26          1HZ       LYS  26  -9.526  -6.761  -9.192
  224   2HZ   LYS  26          2HZ       LYS  26  -9.939  -8.406  -9.291
  225   3HZ   LYS  26          3HZ       LYS  26 -10.849  -7.356  -8.312
  226    H    ILE  27           H        ILE  27 -12.995  -2.745  -8.502
  227    HA   ILE  27           HA       ILE  27 -15.002  -4.667  -8.815
  228    HB   ILE  27           HB       ILE  27 -15.148  -2.035  -7.294
  229   1HG1  ILE  27          2HG1      ILE  27 -13.087  -3.141  -6.651
  230   2HG1  ILE  27          1HG1      ILE  27 -14.256  -3.375  -5.365
  231   1HG2  ILE  27          1HG2      ILE  27 -16.553  -3.395  -5.717
  232   2HG2  ILE  27          2HG2      ILE  27 -16.546  -4.688  -6.916
  233   3HG2  ILE  27          3HG2      ILE  27 -17.284  -3.134  -7.301
  234   1HD1  ILE  27          1HD1      ILE  27 -13.402  -5.372  -7.460
  235   2HD1  ILE  27          2HD1      ILE  27 -14.824  -5.602  -6.441
  236   3HD1  ILE  27          3HD1      ILE  27 -13.223  -5.492  -5.709
  237    H    LYS  28           H        LYS  28 -14.930  -1.362  -9.996
  238    HA   LYS  28           HA       LYS  28 -17.809  -1.185 -10.456
  239   1HB   LYS  28          2HB       LYS  28 -15.816   0.561 -11.881
  240   2HB   LYS  28          1HB       LYS  28 -17.369   0.989 -11.177
  241   1HG   LYS  28          2HG       LYS  28 -14.744   0.553  -9.785
  242   2HG   LYS  28          1HG       LYS  28 -15.703   2.014  -9.816
  243   1HD   LYS  28          2HD       LYS  28 -16.400  -0.569  -8.374
  244   2HD   LYS  28          1HD       LYS  28 -15.909   0.950  -7.634
  245   1HE   LYS  28          2HE       LYS  28 -18.371   0.711  -9.399
  246   2HE   LYS  28          1HE       LYS  28 -18.420   0.558  -7.631
  247   1HZ   LYS  28          1HZ       LYS  28 -17.197   2.702  -7.525
  248   2HZ   LYS  28          2HZ       LYS  28 -18.763   2.845  -8.169
  249   3HZ   LYS  28          3HZ       LYS  28 -17.412   2.870  -9.199
  250    H    SER  29           H        SER  29 -14.993  -2.125 -12.354
  251    HA   SER  29           HA       SER  29 -16.241  -2.088 -14.949
  252   1HB   SER  29          2HB       SER  29 -13.780  -2.188 -14.372
  253   2HB   SER  29          1HB       SER  29 -14.014  -3.874 -13.920
  254    HG   SER  29           HG       SER  29 -14.025  -2.654 -16.421
  255    H    GLU  30           H        GLU  30 -16.434  -4.327 -12.267
  256    HA   GLU  30           HA       GLU  30 -17.905  -6.273 -14.016
  257   1HB   GLU  30          2HB       GLU  30 -15.884  -6.495 -11.848
  258   2HB   GLU  30          1HB       GLU  30 -17.160  -7.711 -11.844
  259   1HG   GLU  30          2HG       GLU  30 -15.672  -7.034 -14.378
  260   2HG   GLU  30          1HG       GLU  30 -15.026  -8.208 -13.231
  261    H    HIS  31           H        HIS  31 -18.182  -4.124 -11.327
  262    HA   HIS  31           HA       HIS  31 -20.850  -5.330 -10.681
  263   1HB   HIS  31          2HB       HIS  31 -18.958  -4.031  -8.691
  264   2HB   HIS  31          1HB       HIS  31 -20.450  -4.889  -8.332
  265    HD1  HIS  31           1HD      HIS  31 -16.848  -5.407  -8.878
  266    HD2  HIS  31           2HD      HIS  31 -20.275  -7.779  -8.853
  267    HE1  HIS  31           1HE      HIS  31 -16.056  -7.806  -8.730
  268    HA   PRO  32           HA       PRO  32 -21.434  -0.945 -11.810
  269   1HB   PRO  32          2HB       PRO  32 -23.928  -1.270 -12.887
  270   2HB   PRO  32          1HB       PRO  32 -22.436  -1.555 -13.798
  271   1HG   PRO  32          2HG       PRO  32 -24.303  -3.503 -12.578
  272   2HG   PRO  32          1HG       PRO  32 -23.337  -3.632 -14.056
  273   1HD   PRO  32          2HD       PRO  32 -22.704  -4.820 -11.649
  274   2HD   PRO  32          1HD       PRO  32 -21.548  -4.484 -12.955
  275    H    GLY  33           H        GLY  33 -23.696  -3.184 -10.263
  276   1HA   GLY  33          2HA       GLY  33 -25.243  -1.089  -8.964
  277   2HA   GLY  33          1HA       GLY  33 -25.342  -2.816  -8.627
  278    H    LEU  34           H        LEU  34 -22.212  -2.591  -8.320
  279    HA   LEU  34           HA       LEU  34 -22.064  -2.653  -5.496
  280   1HB   LEU  34          2HB       LEU  34 -20.350  -2.826  -7.772
  281   2HB   LEU  34          1HB       LEU  34 -19.608  -1.681  -6.663
  282    HG   LEU  34           HG       LEU  34 -18.884  -4.034  -6.262
  283   1HD1  LEU  34          1HD1      LEU  34 -18.791  -3.729  -3.985
  284   2HD1  LEU  34          2HD1      LEU  34 -20.499  -3.306  -3.863
  285   3HD1  LEU  34          3HD1      LEU  34 -19.337  -2.120  -4.458
  286   1HD2  LEU  34          1HD2      LEU  34 -21.399  -4.798  -4.932
  287   2HD2  LEU  34          2HD2      LEU  34 -20.347  -5.750  -5.978
  288   3HD2  LEU  34          3HD2      LEU  34 -21.544  -4.666  -6.685
  289    H    SER  35           H        SER  35 -23.270  -0.786  -4.716
  290    HA   SER  35           HA       SER  35 -22.377   1.938  -5.333
  291   1HB   SER  35          2HB       SER  35 -24.098   2.490  -3.625
  292   2HB   SER  35          1HB       SER  35 -24.717   1.346  -4.813
  293    HG   SER  35           HG       SER  35 -25.201   0.302  -3.021
  294    H    ILE  36           H        ILE  36 -21.731   3.403  -3.416
  295    HA   ILE  36           HA       ILE  36 -19.297   2.654  -2.238
  296    HB   ILE  36           HB       ILE  36 -21.456   4.563  -1.278
  297   1HG1  ILE  36          2HG1      ILE  36 -20.595   5.022  -3.549
  298   2HG1  ILE  36          1HG1      ILE  36 -20.064   6.263  -2.417
  299   1HG2  ILE  36          1HG2      ILE  36 -20.039   4.257   0.604
  300   2HG2  ILE  36          2HG2      ILE  36 -19.421   5.710  -0.182
  301   3HG2  ILE  36          3HG2      ILE  36 -18.590   4.170  -0.398
  302   1HD1  ILE  36          1HD1      ILE  36 -18.441   3.952  -3.511
  303   2HD1  ILE  36          2HD1      ILE  36 -17.908   4.939  -2.151
  304   3HD1  ILE  36          3HD1      ILE  36 -18.145   5.677  -3.735
  305    H    GLY  37           H        GLY  37 -22.559   1.921  -1.166
  306   1HA   GLY  37          2HA       GLY  37 -22.044   1.239   1.544
  307   2HA   GLY  37          1HA       GLY  37 -23.338   0.541   0.563
  308    H    ASP  38           H        ASP  38 -22.504  -1.142  -1.096
  309    HA   ASP  38           HA       ASP  38 -21.028  -3.179   0.371
  310   1HB   ASP  38          2HB       ASP  38 -22.982  -3.587  -1.104
  311   2HB   ASP  38          1HB       ASP  38 -22.021  -3.076  -2.492
  312    H    THR  39           H        THR  39 -20.059  -0.693  -1.862
  313    HA   THR  39           HA       THR  39 -17.837  -1.969  -3.141
  314    HB   THR  39           HB       THR  39 -18.344   0.909  -2.311
  315    HG1  THR  39           1HG      THR  39 -19.203   1.089  -4.300
  316   1HG2  THR  39          1HG2      THR  39 -16.243  -0.302  -4.125
  317   2HG2  THR  39          2HG2      THR  39 -15.982   0.719  -2.712
  318   3HG2  THR  39          3HG2      THR  39 -16.686   1.404  -4.177
  319    H    ALA  40           H        ALA  40 -18.127  -0.254  -0.043
  320    HA   ALA  40           HA       ALA  40 -15.347  -0.371   0.693
  321   1HB   ALA  40          1HB       ALA  40 -17.908  -0.268   2.328
  322   2HB   ALA  40          2HB       ALA  40 -17.001   1.122   1.733
  323   3HB   ALA  40          3HB       ALA  40 -16.300   0.074   2.965
  324    H    LYS  41           H        LYS  41 -18.100  -2.559   1.181
  325    HA   LYS  41           HA       LYS  41 -16.746  -4.430   2.905
  326   1HB   LYS  41          2HB       LYS  41 -19.221  -4.417   1.177
  327   2HB   LYS  41          1HB       LYS  41 -18.719  -5.894   1.998
  328   1HG   LYS  41          2HG       LYS  41 -20.283  -4.741   3.446
  329   2HG   LYS  41          1HG       LYS  41 -18.676  -4.577   4.159
  330   1HD   LYS  41          2HD       LYS  41 -18.510  -2.331   3.558
  331   2HD   LYS  41          1HD       LYS  41 -19.669  -2.507   2.253
  332   1HE   LYS  41          2HE       LYS  41 -21.240  -1.683   3.639
  333   2HE   LYS  41          1HE       LYS  41 -21.100  -3.173   4.590
  334   1HZ   LYS  41          1HZ       LYS  41 -19.367  -0.772   4.874
  335   2HZ   LYS  41          2HZ       LYS  41 -19.234  -2.204   5.777
  336   3HZ   LYS  41          3HZ       LYS  41 -20.606  -1.216   5.943
  337    H    LYS  42           H        LYS  42 -17.022  -4.107  -0.638
  338    HA   LYS  42           HA       LYS  42 -15.976  -6.742  -1.246
  339   1HB   LYS  42          2HB       LYS  42 -17.011  -4.381  -2.569
  340   2HB   LYS  42          1HB       LYS  42 -15.518  -4.883  -3.360
  341   1HG   LYS  42          2HG       LYS  42 -17.226  -6.092  -4.470
  342   2HG   LYS  42          1HG       LYS  42 -16.514  -7.257  -3.353
  343   1HD   LYS  42          2HD       LYS  42 -18.819  -5.587  -2.413
  344   2HD   LYS  42          1HD       LYS  42 -19.146  -6.947  -3.486
  345   1HE   LYS  42          2HE       LYS  42 -17.404  -8.071  -1.664
  346   2HE   LYS  42          1HE       LYS  42 -18.354  -6.964  -0.652
  347   1HZ   LYS  42          1HZ       LYS  42 -19.482  -9.100  -0.917
  348   2HZ   LYS  42          2HZ       LYS  42 -19.475  -8.908  -2.604
  349   3HZ   LYS  42          3HZ       LYS  42 -20.375  -7.848  -1.629
  350    H    LEU  43           H        LEU  43 -14.509  -3.861  -0.079
  351    HA   LEU  43           HA       LEU  43 -11.873  -4.460  -1.308
  352   1HB   LEU  43          2HB       LEU  43 -12.955  -2.225   0.432
  353   2HB   LEU  43          1HB       LEU  43 -11.312  -2.272  -0.209
  354    HG   LEU  43           HG       LEU  43 -13.761  -2.461  -1.976
  355   1HD1  LEU  43          1HD1      LEU  43 -13.453  -0.282  -0.556
  356   2HD1  LEU  43          2HD1      LEU  43 -13.744  -0.139  -2.290
  357   3HD1  LEU  43          3HD1      LEU  43 -12.109   0.033  -1.653
  358   1HD2  LEU  43          1HD2      LEU  43 -11.647  -3.299  -2.922
  359   2HD2  LEU  43          2HD2      LEU  43 -10.846  -1.785  -2.499
  360   3HD2  LEU  43          3HD2      LEU  43 -12.122  -1.797  -3.717
  361    H    GLY  44           H        GLY  44 -13.595  -4.625   1.756
  362   1HA   GLY  44          2HA       GLY  44 -11.133  -5.236   3.267
  363   2HA   GLY  44          1HA       GLY  44 -12.756  -5.101   3.944
  364    H    GLU  45           H        GLU  45 -14.180  -6.872   2.358
  365    HA   GLU  45           HA       GLU  45 -13.797  -9.385   3.546
  366   1HB   GLU  45          2HB       GLU  45 -15.755  -8.471   2.204
  367   2HB   GLU  45          1HB       GLU  45 -14.854  -8.896   0.748
  368   1HG   GLU  45          2HG       GLU  45 -14.826 -11.232   1.365
  369   2HG   GLU  45          1HG       GLU  45 -15.510 -10.872   2.950
  370    H    MET  46           H        MET  46 -12.265  -8.075   0.641
  371    HA   MET  46           HA       MET  46 -10.987 -10.650  -0.043
  372   1HB   MET  46          2HB       MET  46 -10.865  -7.822  -1.137
  373   2HB   MET  46          1HB       MET  46  -9.990  -9.179  -1.848
  374   1HG   MET  46          2HG       MET  46 -12.236 -10.381  -1.996
  375   2HG   MET  46          1HG       MET  46 -12.986  -8.834  -1.600
  376   1HE   MET  46          1HE       MET  46 -10.975 -10.268  -5.378
  377   2HE   MET  46          2HE       MET  46 -11.120 -11.033  -3.797
  378   3HE   MET  46          3HE       MET  46  -9.846  -9.850  -4.081
  379    H    TRP  47           H        TRP  47 -10.056  -7.444   1.208
  380    HA   TRP  47           HA       TRP  47  -7.245  -7.789   1.330
  381   1HB   TRP  47          2HB       TRP  47  -8.523  -5.687   1.708
  382   2HB   TRP  47          1HB       TRP  47  -9.091  -6.328   3.250
  383    HD1  TRP  47           HD       TRP  47  -7.598  -5.947   5.285
  384    HE1  TRP  47           1HE      TRP  47  -5.194  -5.094   5.661
  385    HE3  TRP  47           3HE      TRP  47  -5.996  -5.659   0.444
  386    HZ2  TRP  47           2HZ      TRP  47  -2.896  -4.383   4.113
  387    HZ3  TRP  47           3HZ      TRP  47  -3.698  -4.891  -0.075
  388    HH2  TRP  47           HH       TRP  47  -2.148  -4.253   1.751
  389    H    SER  48           H        SER  48  -9.751  -9.234   3.315
  390    HA   SER  48           HA       SER  48  -7.821 -10.026   5.422
  391   1HB   SER  48          2HB       SER  48 -10.707  -9.696   5.071
  392   2HB   SER  48          1HB       SER  48 -10.309 -11.203   5.889
  393    HG   SER  48           HG       SER  48  -9.931 -10.034   7.580
  394    H    GLU  49           H        GLU  49  -9.764 -11.433   2.807
  395    HA   GLU  49           HA       GLU  49  -9.336 -14.201   3.377
  396   1HB   GLU  49          2HB       GLU  49  -9.986 -12.512   0.983
  397   2HB   GLU  49          1HB       GLU  49  -9.618 -14.219   0.734
  398   1HG   GLU  49          2HG       GLU  49 -11.333 -14.735   2.538
  399   2HG   GLU  49          1HG       GLU  49 -11.810 -13.039   2.456
  400    H    GLN  50           H        GLN  50  -7.360 -11.805   1.678
  401    HA   GLN  50           HA       GLN  50  -5.448 -13.504   0.443
  402   1HB   GLN  50          2HB       GLN  50  -5.263 -10.739   1.676
  403   2HB   GLN  50          1HB       GLN  50  -3.993 -11.441   0.673
  404   1HG   GLN  50          2HG       GLN  50  -6.783 -11.471  -0.395
  405   2HG   GLN  50          1HG       GLN  50  -5.918  -9.933  -0.391
  406   1HE2  GLN  50          1HE2      GLN  50  -4.936  -9.612  -2.388
  407   2HE2  GLN  50          2HE2      GLN  50  -4.183 -10.821  -3.312
  408    H    SER  51           H        SER  51  -3.410 -14.281   1.168
  409    HA   SER  51           HA       SER  51  -3.251 -14.851   4.067
  410   1HB   SER  51          2HB       SER  51  -2.937 -16.539   2.208
  411   2HB   SER  51          1HB       SER  51  -1.463 -15.686   1.758
  412    HG   SER  51           HG       SER  51  -2.066 -16.962   4.222
  413    H    ALA  52           H        ALA  52  -0.302 -15.052   4.010
  414    HA   ALA  52           HA       ALA  52   0.328 -12.247   4.634
  415   1HB   ALA  52          1HB       ALA  52   1.052 -14.085   6.077
  416   2HB   ALA  52          2HB       ALA  52   2.474 -13.310   5.377
  417   3HB   ALA  52          3HB       ALA  52   1.897 -14.845   4.727
  418    H    LYS  53           H        LYS  53  -0.191 -12.227   1.966
  419    HA   LYS  53           HA       LYS  53   2.522 -11.976   0.726
  420   1HB   LYS  53          2HB       LYS  53   0.080 -13.485  -0.160
  421   2HB   LYS  53          1HB       LYS  53   1.167 -12.820  -1.380
  422   1HG   LYS  53          2HG       LYS  53   3.071 -13.988  -0.273
  423   2HG   LYS  53          1HG       LYS  53   1.932 -14.717   0.859
  424   1HD   LYS  53          2HD       LYS  53   0.772 -15.847  -0.956
  425   2HD   LYS  53          1HD       LYS  53   1.774 -15.026  -2.153
  426   1HE   LYS  53          2HE       LYS  53   2.812 -17.147  -1.930
  427   2HE   LYS  53          1HE       LYS  53   3.778 -16.115  -0.858
  428   1HZ   LYS  53          1HZ       LYS  53   1.430 -17.739  -0.030
  429   2HZ   LYS  53          2HZ       LYS  53   2.360 -16.746   0.988
  430   3HZ   LYS  53          3HZ       LYS  53   3.050 -18.130   0.285
  431    H    ASP  54           H        ASP  54  -0.945 -11.137   0.521
  432    HA   ASP  54           HA       ASP  54  -0.728  -9.069  -1.444
  433   1HB   ASP  54          2HB       ASP  54  -2.772 -10.293  -0.431
  434   2HB   ASP  54          1HB       ASP  54  -2.670  -9.106   0.871
  435    H    LYS  55           H        LYS  55  -0.378  -8.994   2.110
  436    HA   LYS  55           HA       LYS  55   0.124  -6.069   2.020
  437   1HB   LYS  55          2HB       LYS  55  -1.390  -7.124   3.692
  438   2HB   LYS  55          1HB       LYS  55  -0.024  -8.046   4.317
  439   1HG   LYS  55          2HG       LYS  55   1.018  -6.152   5.203
  440   2HG   LYS  55          1HG       LYS  55   0.170  -5.055   4.113
  441   1HD   LYS  55          2HD       LYS  55  -0.909  -4.718   6.185
  442   2HD   LYS  55          1HD       LYS  55  -1.979  -5.835   5.337
  443   1HE   LYS  55          2HE       LYS  55  -0.915  -7.743   6.519
  444   2HE   LYS  55          1HE       LYS  55   0.118  -6.601   7.401
  445   1HZ   LYS  55          1HZ       LYS  55  -1.892  -5.462   8.167
  446   2HZ   LYS  55          2HZ       LYS  55  -1.862  -7.081   8.686
  447   3HZ   LYS  55          3HZ       LYS  55  -2.855  -6.620   7.387
  448    H    GLN  56           H        GLN  56   2.081  -8.343   1.071
  449    HA   GLN  56           HA       GLN  56   4.323  -7.958   2.960
  450   1HB   GLN  56          2HB       GLN  56   3.579  -9.740   0.733
  451   2HB   GLN  56          1HB       GLN  56   5.290  -9.320   0.764
  452   1HG   GLN  56          2HG       GLN  56   5.044  -9.859   3.346
  453   2HG   GLN  56          1HG       GLN  56   3.667 -10.814   2.793
  454   1HE2  GLN  56          1HE2      GLN  56   4.135 -12.865   1.945
  455   2HE2  GLN  56          2HE2      GLN  56   5.691 -13.400   1.528
  456    HA   PRO  57           HA       PRO  57   6.134  -5.589  -0.710
  457   1HB   PRO  57          2HB       PRO  57   4.826  -5.424  -3.084
  458   2HB   PRO  57          1HB       PRO  57   5.887  -6.788  -2.677
  459   1HG   PRO  57          2HG       PRO  57   2.938  -6.626  -2.693
  460   2HG   PRO  57          1HG       PRO  57   3.992  -7.994  -3.068
  461   1HD   PRO  57          2HD       PRO  57   2.607  -7.619  -0.691
  462   2HD   PRO  57          1HD       PRO  57   3.990  -8.706  -0.928
  463    H    TYR  58           H        TYR  58   2.652  -5.414  -0.333
  464    HA   TYR  58           HA       TYR  58   2.394  -2.625  -1.167
  465   1HB   TYR  58          2HB       TYR  58   0.732  -4.885  -0.231
  466   2HB   TYR  58          1HB       TYR  58   0.105  -3.294   0.182
  467    HD1  TYR  58           1HD      TYR  58  -0.462  -1.660  -1.583
  468    HD2  TYR  58           2HD      TYR  58   0.892  -5.625  -2.531
  469    HE1  TYR  58           1HE      TYR  58  -1.260  -1.375  -3.915
  470    HE2  TYR  58           2HE      TYR  58   0.094  -5.340  -4.863
  471    HH   TYR  58           HH       TYR  58  -0.332  -2.907  -6.375
  472    H    GLU  59           H        GLU  59   3.144  -4.236   1.855
  473    HA   GLU  59           HA       GLU  59   2.261  -1.992   3.530
  474   1HB   GLU  59          2HB       GLU  59   3.058  -3.385   5.337
  475   2HB   GLU  59          1HB       GLU  59   2.267  -4.434   4.170
  476   1HG   GLU  59          2HG       GLU  59   4.224  -5.633   4.518
  477   2HG   GLU  59          1HG       GLU  59   4.733  -4.607   3.177
  478    H    GLN  60           H        GLN  60   5.180  -2.880   1.838
  479    HA   GLN  60           HA       GLN  60   6.928  -1.154   3.449
  480   1HB   GLN  60          2HB       GLN  60   8.606  -1.863   1.760
  481   2HB   GLN  60          1HB       GLN  60   7.731  -3.240   2.425
  482   1HG   GLN  60          2HG       GLN  60   6.447  -3.521   0.471
  483   2HG   GLN  60          1HG       GLN  60   6.796  -1.894  -0.107
  484   1HE2  GLN  60          1HE2      GLN  60   8.521  -4.966   0.674
  485   2HE2  GLN  60          2HE2      GLN  60   9.680  -4.797  -0.555
  486    H    LYS  61           H        LYS  61   4.959  -0.875   0.573
  487    HA   LYS  61           HA       LYS  61   6.238   1.346  -0.702
  488   1HB   LYS  61          2HB       LYS  61   4.479  -0.091  -1.693
  489   2HB   LYS  61          1HB       LYS  61   3.309   0.544  -0.535
  490   1HG   LYS  61          2HG       LYS  61   3.425   2.738  -1.478
  491   2HG   LYS  61          1HG       LYS  61   4.849   2.328  -2.434
  492   1HD   LYS  61          2HD       LYS  61   3.421   0.596  -3.619
  493   2HD   LYS  61          1HD       LYS  61   2.024   1.306  -2.807
  494   1HE   LYS  61          2HE       LYS  61   2.654   3.534  -3.801
  495   2HE   LYS  61          1HE       LYS  61   3.908   2.699  -4.740
  496   1HZ   LYS  61          1HZ       LYS  61   1.009   2.038  -4.739
  497   2HZ   LYS  61          2HZ       LYS  61   2.209   1.205  -5.606
  498   3HZ   LYS  61          3HZ       LYS  61   1.842   2.818  -5.993
  499    H    ALA  62           H        ALA  62   3.597   1.235   1.709
  500    HA   ALA  62           HA       ALA  62   3.428   4.126   1.958
  501   1HB   ALA  62          1HB       ALA  62   2.106   3.316   4.072
  502   2HB   ALA  62          2HB       ALA  62   2.348   1.709   3.386
  503   3HB   ALA  62          3HB       ALA  62   1.471   2.936   2.471
  504    H    ALA  63           H        ALA  63   5.688   1.853   3.144
  505    HA   ALA  63           HA       ALA  63   6.271   3.273   5.659
  506   1HB   ALA  63          1HB       ALA  63   7.770   1.084   4.184
  507   2HB   ALA  63          2HB       ALA  63   6.445   0.790   5.309
  508   3HB   ALA  63          3HB       ALA  63   7.945   1.515   5.885
  509    H    LYS  64           H        LYS  64   6.896   3.952   2.425
  510    HA   LYS  64           HA       LYS  64   9.614   5.074   2.935
  511   1HB   LYS  64          2HB       LYS  64   7.948   4.362   0.510
  512   2HB   LYS  64          1HB       LYS  64   9.442   5.281   0.379
  513   1HG   LYS  64          2HG       LYS  64   9.275   2.609   1.786
  514   2HG   LYS  64          1HG       LYS  64   9.676   2.761   0.074
  515   1HD   LYS  64          2HD       LYS  64  11.589   4.223   0.659
  516   2HD   LYS  64          1HD       LYS  64  11.203   4.029   2.369
  517   1HE   LYS  64          2HE       LYS  64  11.868   1.784   2.402
  518   2HE   LYS  64          1HE       LYS  64  11.633   1.588   0.654
  519   1HZ   LYS  64          1HZ       LYS  64  13.481   2.983   0.206
  520   2HZ   LYS  64          2HZ       LYS  64  14.006   1.853   1.362
  521   3HZ   LYS  64          3HZ       LYS  64  13.628   3.442   1.833
  522    H    LEU  65           H        LEU  65   6.303   5.854   2.132
  523    HA   LEU  65           HA       LEU  65   6.864   8.699   1.579
  524   1HB   LEU  65          2HB       LEU  65   4.510   6.829   1.569
  525   2HB   LEU  65          1HB       LEU  65   4.224   8.570   1.578
  526    HG   LEU  65           HG       LEU  65   6.000   8.575  -0.366
  527   1HD1  LEU  65          1HD1      LEU  65   5.066   5.710  -0.200
  528   2HD1  LEU  65          2HD1      LEU  65   6.708   6.320  -0.399
  529   3HD1  LEU  65          3HD1      LEU  65   5.565   6.415  -1.737
  530   1HD2  LEU  65          1HD2      LEU  65   3.165   7.548  -0.724
  531   2HD2  LEU  65          2HD2      LEU  65   4.149   8.282  -1.990
  532   3HD2  LEU  65          3HD2      LEU  65   3.640   9.242  -0.601
  533    H    LYS  66           H        LYS  66   6.206   6.697   4.322
  534    HA   LYS  66           HA       LYS  66   4.828   8.684   5.947
  535   1HB   LYS  66          2HB       LYS  66   4.654   6.220   6.244
  536   2HB   LYS  66          1HB       LYS  66   6.371   6.159   6.642
  537   1HG   LYS  66          2HG       LYS  66   5.626   6.362   8.787
  538   2HG   LYS  66          1HG       LYS  66   5.535   8.077   8.384
  539   1HD   LYS  66          2HD       LYS  66   3.230   8.040   8.136
  540   2HD   LYS  66          1HD       LYS  66   3.199   6.331   7.699
  541   1HE   LYS  66          2HE       LYS  66   3.878   5.806  10.092
  542   2HE   LYS  66          1HE       LYS  66   3.583   7.517  10.466
  543   1HZ   LYS  66          1HZ       LYS  66   1.647   5.600   9.278
  544   2HZ   LYS  66          2HZ       LYS  66   1.366   7.267   9.440
  545   3HZ   LYS  66          3HZ       LYS  66   1.561   6.297  10.821
  546    H    GLU  67           H        GLU  67   8.170   7.745   5.312
  547    HA   GLU  67           HA       GLU  67   9.389   9.113   7.545
  548   1HB   GLU  67          2HB       GLU  67  10.297   8.198   4.806
  549   2HB   GLU  67          1HB       GLU  67  11.404   8.967   5.944
  550   1HG   GLU  67          2HG       GLU  67  10.726   7.227   7.646
  551   2HG   GLU  67          1HG       GLU  67   9.845   6.403   6.357
  552    H    LYS  68           H        LYS  68   9.272  10.037   4.077
  553    HA   LYS  68           HA       LYS  68  10.180  12.713   4.419
  554   1HB   LYS  68          2HB       LYS  68   8.434  11.333   2.362
  555   2HB   LYS  68          1HB       LYS  68   9.025  12.982   2.158
  556   1HG   LYS  68          2HG       LYS  68  10.984  10.823   2.857
  557   2HG   LYS  68          1HG       LYS  68  10.411  10.948   1.193
  558   1HD   LYS  68          2HD       LYS  68  12.203  12.396   1.070
  559   2HD   LYS  68          1HD       LYS  68  10.959  13.532   1.593
  560   1HE   LYS  68          2HE       LYS  68  11.801  13.672   3.751
  561   2HE   LYS  68          1HE       LYS  68  12.475  12.031   3.702
  562   1HZ   LYS  68          1HZ       LYS  68  13.458  14.351   2.125
  563   2HZ   LYS  68          2HZ       LYS  68  14.092  12.776   2.069
  564   3HZ   LYS  68          3HZ       LYS  68  14.225  13.699   3.490
  565    H    TYR  69           H        TYR  69   7.008  11.282   4.907
  566    HA   TYR  69           HA       TYR  69   5.483  13.756   4.821
  567   1HB   TYR  69          2HB       TYR  69   4.540  11.480   4.515
  568   2HB   TYR  69          1HB       TYR  69   4.975  11.076   6.172
  569    HD1  TYR  69           1HD      TYR  69   2.495  12.557   4.029
  570    HD2  TYR  69           2HD      TYR  69   3.954  12.496   8.069
  571    HE1  TYR  69           1HE      TYR  69   0.352  13.517   4.823
  572    HE2  TYR  69           2HE      TYR  69   1.814  13.459   8.859
  573    HH   TYR  69           HH       TYR  69  -0.050  14.744   8.001
  574    H    GLU  70           H        GLU  70   6.226  11.655   7.586
  575    HA   GLU  70           HA       GLU  70   5.685  13.574   9.628
  576   1HB   GLU  70          2HB       GLU  70   7.240  11.011   9.403
  577   2HB   GLU  70          1HB       GLU  70   7.276  11.921  10.915
  578   1HG   GLU  70          2HG       GLU  70   4.707  11.958  10.750
  579   2HG   GLU  70          1HG       GLU  70   4.888  10.703   9.524
  580    H    LYS  71           H        LYS  71   8.450  13.273   7.539
  581    HA   LYS  71           HA       LYS  71  10.186  14.842   9.377
  582   1HB   LYS  71          2HB       LYS  71  10.589  13.394   6.749
  583   2HB   LYS  71          1HB       LYS  71  11.866  14.311   7.548
  584   1HG   LYS  71          2HG       LYS  71  11.578  12.909   9.578
  585   2HG   LYS  71          1HG       LYS  71  10.357  11.961   8.729
  586   1HD   LYS  71          2HD       LYS  71  12.047  11.382   6.998
  587   2HD   LYS  71          1HD       LYS  71  13.264  12.266   7.919
  588   1HE   LYS  71          2HE       LYS  71  12.926  10.755   9.844
  589   2HE   LYS  71          1HE       LYS  71  11.695   9.864   8.926
  590   1HZ   LYS  71          1HZ       LYS  71  13.347   9.471   7.188
  591   2HZ   LYS  71          2HZ       LYS  71  13.849   8.809   8.671
  592   3HZ   LYS  71          3HZ       LYS  71  14.526  10.265   8.114
  593    H    ASP  72           H        ASP  72   8.233  15.281   6.505
  594    HA   ASP  72           HA       ASP  72   9.549  17.914   5.964
  595   1HB   ASP  72          2HB       ASP  72   9.271  16.135   4.184
  596   2HB   ASP  72          1HB       ASP  72   7.528  16.378   4.310
  597    H    ILE  73           H        ILE  73   6.434  16.429   6.786
  598    HA   ILE  73           HA       ILE  73   4.814  18.773   6.426
  599    HB   ILE  73           HB       ILE  73   4.102  16.350   6.633
  600   1HG1  ILE  73          2HG1      ILE  73   2.063  16.940   8.068
  601   2HG1  ILE  73          1HG1      ILE  73   2.824  18.513   8.310
  602   1HG2  ILE  73          1HG2      ILE  73   5.551  16.096   8.797
  603   2HG2  ILE  73          2HG2      ILE  73   4.002  15.257   8.701
  604   3HG2  ILE  73          3HG2      ILE  73   4.135  16.760   9.613
  605   1HD1  ILE  73          1HD1      ILE  73   2.847  18.938   5.925
  606   2HD1  ILE  73          2HD1      ILE  73   1.211  18.460   6.378
  607   3HD1  ILE  73          3HD1      ILE  73   2.280  17.304   5.585
  608    H    ALA  74           H        ALA  74   6.847  17.667   9.082
  609    HA   ALA  74           HA       ALA  74   5.849  19.346  11.173
  610   1HB   ALA  74          1HB       ALA  74   7.448  17.409  11.349
  611   2HB   ALA  74          2HB       ALA  74   7.999  18.847  12.210
  612   3HB   ALA  74          3HB       ALA  74   8.697  18.436  10.644
  613    H    ALA  75           H        ALA  75   8.732  19.858   9.100
  614    HA   ALA  75           HA       ALA  75   9.133  22.598   9.887
  615   1HB   ALA  75          1HB       ALA  75  10.817  21.046   8.879
  616   2HB   ALA  75          2HB       ALA  75  10.716  22.581   8.017
  617   3HB   ALA  75          3HB       ALA  75   9.945  21.143   7.349
  618    H    TYR  76           H        TYR  76   6.938  21.108   7.629
  619    HA   TYR  76           HA       TYR  76   6.533  23.417   5.908
  620   1HB   TYR  76          2HB       TYR  76   6.086  21.008   5.347
  621   2HB   TYR  76          1HB       TYR  76   4.740  21.035   6.488
  622    HD1  TYR  76           1HD      TYR  76   6.025  22.399   3.295
  623    HD2  TYR  76           2HD      TYR  76   2.675  22.176   5.974
  624    HE1  TYR  76           1HE      TYR  76   4.562  23.377   1.547
  625    HE2  TYR  76           2HE      TYR  76   1.212  23.153   4.225
  626    HH   TYR  76           HH       TYR  76   1.640  24.707   2.129
  627    H    ARG  77           H        ARG  77   4.909  22.105   8.792
  628    HA   ARG  77           HA       ARG  77   2.729  24.014   8.784
  629   1HB   ARG  77          2HB       ARG  77   3.931  22.002  10.660
  630   2HB   ARG  77          1HB       ARG  77   2.749  23.147  11.293
  631   1HG   ARG  77          2HG       ARG  77   1.092  22.429   9.688
  632   2HG   ARG  77          1HG       ARG  77   2.275  21.433   8.840
  633   1HD   ARG  77          2HD       ARG  77   2.212  19.763  10.437
  634   2HD   ARG  77          1HD       ARG  77   1.874  20.899  11.758
  635    HE   ARG  77           HE       ARG  77  -0.204  20.378   9.675
  636   1HH1  ARG  77          1HH1      ARG  77  -0.054  21.986  12.457
  637   2HH1  ARG  77          2HH1      ARG  77  -1.181  21.027  13.357
  638   1HH2  ARG  77          1HH2      ARG  77  -1.249  18.451  11.036
  639   2HH2  ARG  77          2HH2      ARG  77  -1.857  19.025  12.552
  640    H    ALA  78           H        ALA  78   5.023  23.761  11.504
  641    HA   ALA  78           HA       ALA  78   6.098  26.448  11.178
  642   1HB   ALA  78          1HB       ALA  78   3.895  27.128  11.800
  643   2HB   ALA  78          2HB       ALA  78   4.845  27.252  13.280
  644   3HB   ALA  78          3HB       ALA  78   3.777  25.872  13.032
  645    H    LYS  79           H        LYS  79   7.135  23.787  11.736
  646    HA   LYS  79           HA       LYS  79   8.139  24.116  14.544
  647   1HB   LYS  79          2HB       LYS  79   7.218  21.870  12.875
  648   2HB   LYS  79          1HB       LYS  79   8.693  21.536  13.779
  649   1HG   LYS  79          2HG       LYS  79   7.633  22.053  15.867
  650   2HG   LYS  79          1HG       LYS  79   6.218  22.723  15.054
  651   1HD   LYS  79          2HD       LYS  79   7.026  19.862  14.579
  652   2HD   LYS  79          1HD       LYS  79   6.076  20.296  16.001
  653   1HE   LYS  79          2HE       LYS  79   5.176  21.341  13.336
  654   2HE   LYS  79          1HE       LYS  79   4.850  19.643  13.738
  655   1HZ   LYS  79          1HZ       LYS  79   3.908  20.353  15.845
  656   2HZ   LYS  79          2HZ       LYS  79   3.081  21.088  14.557
  657   3HZ   LYS  79          3HZ       LYS  79   4.210  21.978  15.464
  Start of MODEL   19
    1   1H    MET   1          1HT       MET   1 -17.414  17.172   2.644
    2   2H    MET   1          2HT       MET   1 -17.043  15.754   1.785
    3   3H    MET   1          3HT       MET   1 -17.749  17.075   0.984
    4    HA   MET   1           HA       MET   1 -15.373  16.943   0.487
    5   1HB   MET   1          2HB       MET   1 -16.825  19.062   0.788
    6   2HB   MET   1          1HB       MET   1 -15.982  19.264   2.325
    7   1HG   MET   1          2HG       MET   1 -13.806  19.107   1.046
    8   2HG   MET   1          1HG       MET   1 -14.751  19.176  -0.441
    9   1HE   MET   1          1HE       MET   1 -16.259  22.591  -0.629
   10   2HE   MET   1          2HE       MET   1 -16.940  20.998  -0.313
   11   3HE   MET   1          3HE       MET   1 -15.654  21.177  -1.504
   12    H    LYS   2           H        LYS   2 -13.584  15.955   1.322
   13    HA   LYS   2           HA       LYS   2 -12.903  16.422   4.204
   14   1HB   LYS   2          2HB       LYS   2 -13.420  13.945   2.667
   15   2HB   LYS   2          1HB       LYS   2 -12.004  13.897   3.720
   16   1HG   LYS   2          2HG       LYS   2 -13.894  15.115   5.330
   17   2HG   LYS   2          1HG       LYS   2 -14.859  13.954   4.423
   18   1HD   LYS   2          2HD       LYS   2 -12.899  12.299   5.013
   19   2HD   LYS   2          1HD       LYS   2 -12.574  13.460   6.299
   20   1HE   LYS   2          2HE       LYS   2 -15.426  12.776   6.058
   21   2HE   LYS   2          1HE       LYS   2 -14.391  11.395   6.467
   22   1HZ   LYS   2          1HZ       LYS   2 -13.342  12.732   8.189
   23   2HZ   LYS   2          2HZ       LYS   2 -15.015  12.622   8.461
   24   3HZ   LYS   2          3HZ       LYS   2 -14.348  14.045   7.814
   25    H    LYS   3           H        LYS   3 -11.897  17.547   1.550
   26    HA   LYS   3           HA       LYS   3  -9.329  16.445   0.935
   27   1HB   LYS   3          2HB       LYS   3 -11.017  18.398  -0.037
   28   2HB   LYS   3          1HB       LYS   3  -9.683  19.355   0.606
   29   1HG   LYS   3          2HG       LYS   3  -8.076  18.117  -0.725
   30   2HG   LYS   3          1HG       LYS   3  -9.328  16.998  -1.266
   31   1HD   LYS   3          2HD       LYS   3 -10.516  18.875  -2.363
   32   2HD   LYS   3          1HD       LYS   3  -9.230  19.971  -1.857
   33   1HE   LYS   3          2HE       LYS   3  -7.599  18.454  -3.099
   34   2HE   LYS   3          1HE       LYS   3  -9.020  17.648  -3.795
   35   1HZ   LYS   3          1HZ       LYS   3  -8.266  19.508  -5.181
   36   2HZ   LYS   3          2HZ       LYS   3  -8.498  20.575  -3.879
   37   3HZ   LYS   3          3HZ       LYS   3  -9.827  19.775  -4.572
   38    H    LYS   4           H        LYS   4  -7.581  18.638   1.143
   39    HA   LYS   4           HA       LYS   4  -7.393  19.302   4.010
   40   1HB   LYS   4          2HB       LYS   4  -5.279  17.863   2.370
   41   2HB   LYS   4          1HB       LYS   4  -5.067  18.405   4.034
   42   1HG   LYS   4          2HG       LYS   4  -7.241  17.002   4.480
   43   2HG   LYS   4          1HG       LYS   4  -6.790  16.186   2.981
   44   1HD   LYS   4          2HD       LYS   4  -5.792  14.979   4.834
   45   2HD   LYS   4          1HD       LYS   4  -4.505  15.804   3.954
   46   1HE   LYS   4          2HE       LYS   4  -4.282  17.481   5.621
   47   2HE   LYS   4          1HE       LYS   4  -5.849  17.075   6.351
   48   1HZ   LYS   4          1HZ       LYS   4  -5.009  14.917   6.953
   49   2HZ   LYS   4          2HZ       LYS   4  -3.962  16.101   7.577
   50   3HZ   LYS   4          3HZ       LYS   4  -3.528  15.225   6.186
   51    H    ASP   5           H        ASP   5  -4.531  20.177   3.472
   52    HA   ASP   5           HA       ASP   5  -5.198  22.771   2.213
   53   1HB   ASP   5          2HB       ASP   5  -3.226  21.611   4.089
   54   2HB   ASP   5          1HB       ASP   5  -2.592  22.881   3.042
   55    HA   PRO   6           HA       PRO   6  -3.082  21.871  -1.554
   56   1HB   PRO   6          2HB       PRO   6  -1.839  24.235  -2.142
   57   2HB   PRO   6          1HB       PRO   6  -3.594  24.008  -2.284
   58   1HG   PRO   6          2HG       PRO   6  -2.025  25.331  -0.131
   59   2HG   PRO   6          1HG       PRO   6  -3.588  25.781  -0.829
   60   1HD   PRO   6          2HD       PRO   6  -3.311  24.509   1.572
   61   2HD   PRO   6          1HD       PRO   6  -4.752  24.370   0.541
   62    H    ASN   7           H        ASN   7  -1.182  23.302   1.051
   63    HA   ASN   7           HA       ASN   7   1.338  22.198  -0.106
   64   1HB   ASN   7          2HB       ASN   7   2.383  23.670   1.597
   65   2HB   ASN   7          1HB       ASN   7   1.253  24.560   0.581
   66   1HD2  ASN   7          1HD2      ASN   7   2.169  24.404   3.717
   67   2HD2  ASN   7          2HD2      ASN   7   0.696  24.749   4.487
   68    H    ALA   8           H        ALA   8  -0.807  20.548   1.180
   69    HA   ALA   8           HA       ALA   8   0.523  19.620   3.680
   70   1HB   ALA   8          1HB       ALA   8  -2.147  19.088   2.348
   71   2HB   ALA   8          2HB       ALA   8  -1.853  20.037   3.805
   72   3HB   ALA   8          3HB       ALA   8  -1.633  18.287   3.833
   73    HA   PRO   9           HA       PRO   9   2.239  16.271   1.267
   74   1HB   PRO   9          2HB       PRO   9   3.134  14.703   3.323
   75   2HB   PRO   9          1HB       PRO   9   3.974  16.176   2.798
   76   1HG   PRO   9          2HG       PRO   9   2.160  15.758   5.117
   77   2HG   PRO   9          1HG       PRO   9   3.635  16.731   4.998
   78   1HD   PRO   9          2HD       PRO   9   1.115  17.782   4.904
   79   2HD   PRO   9          1HD       PRO   9   2.527  18.535   4.129
   80    H    LYS  10           H        LYS  10  -0.248  15.908   0.895
   81    HA   LYS  10           HA       LYS  10  -2.192  14.561   1.007
   82   1HB   LYS  10          2HB       LYS  10   0.243  13.345   0.145
   83   2HB   LYS  10          1HB       LYS  10  -0.745  12.103   0.900
   84   1HG   LYS  10          2HG       LYS  10  -1.280  12.261  -1.464
   85   2HG   LYS  10          1HG       LYS  10  -2.662  12.805  -0.523
   86   1HD   LYS  10          2HD       LYS  10  -2.346  15.035  -1.108
   87   2HD   LYS  10          1HD       LYS  10  -0.623  14.817  -1.414
   88   1HE   LYS  10          2HE       LYS  10  -2.520  13.303  -3.163
   89   2HE   LYS  10          1HE       LYS  10  -2.354  15.049  -3.439
   90   1HZ   LYS  10          1HZ       LYS  10   0.064  14.760  -3.429
   91   2HZ   LYS  10          2HZ       LYS  10  -0.664  13.863  -4.675
   92   3HZ   LYS  10          3HZ       LYS  10  -0.131  13.084  -3.262
   93    H    ARG  11           H        ARG  11  -2.389  11.847   1.897
   94    HA   ARG  11           HA       ARG  11  -2.477  12.263   4.863
   95   1HB   ARG  11          2HB       ARG  11  -4.104  10.754   2.826
   96   2HB   ARG  11          1HB       ARG  11  -4.152  10.261   4.519
   97   1HG   ARG  11          2HG       ARG  11  -5.913  11.808   4.386
   98   2HG   ARG  11          1HG       ARG  11  -4.579  12.789   4.994
   99   1HD   ARG  11          2HD       ARG  11  -4.392  13.984   3.035
  100   2HD   ARG  11          1HD       ARG  11  -4.837  12.591   2.028
  101    HE   ARG  11           HE       ARG  11  -6.947  13.744   3.768
  102   1HH1  ARG  11          1HH2      ARG  11  -6.038  15.402   1.303
  103   2HH1  ARG  11          2HH2      ARG  11  -7.237  14.916   0.152
  104   1HH2  ARG  11          1HH1      ARG  11  -8.299  12.189   2.012
  105   2HH2  ARG  11          2HH1      ARG  11  -8.517  13.096   0.552
  106    HA   PRO  12           HA       PRO  12   0.499   9.030   5.264
  107   1HB   PRO  12          2HB       PRO  12  -0.169   7.962   7.688
  108   2HB   PRO  12          1HB       PRO  12   0.644   9.529   7.506
  109   1HG   PRO  12          2HG       PRO  12  -2.215   8.931   8.047
  110   2HG   PRO  12          1HG       PRO  12  -1.189  10.234   8.661
  111   1HD   PRO  12          2HD       PRO  12  -3.025  10.555   6.659
  112   2HD   PRO  12          1HD       PRO  12  -1.586  11.577   6.863
  113    HA   PRO  13           HA       PRO  13  -2.136   5.600   3.910
  114   1HB   PRO  13          2HB       PRO  13  -0.285   4.411   2.295
  115   2HB   PRO  13          1HB       PRO  13  -1.236   5.818   1.790
  116   1HG   PRO  13          2HG       PRO  13   1.595   5.648   2.581
  117   2HG   PRO  13          1HG       PRO  13   0.785   6.800   1.514
  118   1HD   PRO  13          2HD       PRO  13   1.554   7.233   4.191
  119   2HD   PRO  13          1HD       PRO  13   0.524   8.282   3.198
  120    H    SER  14           H        SER  14  -1.707   3.106   3.945
  121    HA   SER  14           HA       SER  14   0.525   2.154   5.577
  122   1HB   SER  14          2HB       SER  14  -0.921   3.282   7.234
  123   2HB   SER  14          1HB       SER  14  -2.288   2.303   6.710
  124    HG   SER  14           HG       SER  14   0.078   1.517   8.039
  125    H    ALA  15           H        ALA  15   0.104   1.087   3.208
  126    HA   ALA  15           HA       ALA  15  -0.274  -0.932   2.094
  127   1HB   ALA  15          1HB       ALA  15   0.171  -2.631   3.514
  128   2HB   ALA  15          2HB       ALA  15  -1.441  -2.499   4.212
  129   3HB   ALA  15          3HB       ALA  15  -0.113  -1.547   4.874
  130    H    PHE  16           H        PHE  16  -2.928  -1.215   4.488
  131    HA   PHE  16           HA       PHE  16  -4.966  -1.986   2.769
  132   1HB   PHE  16          2HB       PHE  16  -4.847  -1.641   5.327
  133   2HB   PHE  16          1HB       PHE  16  -5.368   0.011   4.994
  134    HD1  PHE  16           1HD      PHE  16  -6.274  -3.379   3.646
  135    HD2  PHE  16           2HD      PHE  16  -7.648   0.321   5.341
  136    HE1  PHE  16           1HE      PHE  16  -8.620  -4.153   3.435
  137    HE2  PHE  16           2HE      PHE  16  -9.994  -0.453   5.130
  138    HZ   PHE  16           HZ       PHE  16 -10.480  -2.691   4.176
  139    H    PHE  17           H        PHE  17  -4.192   1.401   3.645
  140    HA   PHE  17           HA       PHE  17  -6.165   2.675   2.036
  141   1HB   PHE  17          2HB       PHE  17  -4.560   3.575   3.855
  142   2HB   PHE  17          1HB       PHE  17  -3.382   3.737   2.552
  143    HD1  PHE  17           1HD      PHE  17  -6.372   5.112   4.087
  144    HD2  PHE  17           2HD      PHE  17  -3.924   5.178   0.558
  145    HE1  PHE  17           1HE      PHE  17  -7.430   7.244   3.392
  146    HE2  PHE  17           2HE      PHE  17  -4.984   7.309  -0.137
  147    HZ   PHE  17           HZ       PHE  17  -6.736   8.343   1.281
  148    H    LEU  18           H        LEU  18  -2.901   1.511   1.240
  149    HA   LEU  18           HA       LEU  18  -2.824   2.664  -1.420
  150   1HB   LEU  18          2HB       LEU  18  -1.294   0.280  -0.330
  151   2HB   LEU  18          1HB       LEU  18  -0.792   1.361  -1.621
  152    HG   LEU  18           HG       LEU  18  -1.039   2.034   1.330
  153   1HD1  LEU  18          1HD1      LEU  18   1.398   2.560   1.011
  154   2HD1  LEU  18          2HD1      LEU  18   1.279   1.878  -0.611
  155   3HD1  LEU  18          3HD1      LEU  18   0.998   0.856   0.798
  156   1HD2  LEU  18          1HD2      LEU  18   0.079   4.239   0.336
  157   2HD2  LEU  18          2HD2      LEU  18  -1.676   4.071   0.385
  158   3HD2  LEU  18          3HD2      LEU  18  -0.803   3.764  -1.117
  159    H    PHE  19           H        PHE  19  -3.885  -0.432  -0.064
  160    HA   PHE  19           HA       PHE  19  -4.186  -1.742  -2.661
  161   1HB   PHE  19          2HB       PHE  19  -3.677  -2.871  -0.486
  162   2HB   PHE  19          1HB       PHE  19  -5.287  -2.429   0.083
  163    HD1  PHE  19           1HD      PHE  19  -3.414  -4.431  -2.415
  164    HD2  PHE  19           2HD      PHE  19  -7.248  -3.597  -0.666
  165    HE1  PHE  19           1HE      PHE  19  -4.359  -6.433  -3.533
  166    HE2  PHE  19           2HE      PHE  19  -8.193  -5.599  -1.784
  167    HZ   PHE  19           HZ       PHE  19  -6.748  -7.018  -3.217
  168    H    CYS  20           H        CYS  20  -6.535  -0.669  -0.167
  169    HA   CYS  20           HA       CYS  20  -8.905  -1.128  -1.651
  170   1HB   CYS  20          2HB       CYS  20  -8.475  -0.473   0.821
  171   2HB   CYS  20          1HB       CYS  20  -8.501   1.192   0.239
  172    HG   CYS  20           HG       CYS  20 -10.960   0.679   0.793
  173    H    SER  21           H        SER  21  -7.152   1.982  -1.276
  174    HA   SER  21           HA       SER  21  -8.706   3.546  -3.047
  175   1HB   SER  21          2HB       SER  21  -6.925   4.305  -1.460
  176   2HB   SER  21          1HB       SER  21  -5.713   3.655  -2.560
  177    HG   SER  21           HG       SER  21  -7.658   5.632  -3.188
  178    H    GLU  22           H        GLU  22  -6.366   1.048  -3.784
  179    HA   GLU  22           HA       GLU  22  -6.218   1.894  -6.634
  180   1HB   GLU  22          2HB       GLU  22  -4.690   0.117  -4.782
  181   2HB   GLU  22          1HB       GLU  22  -4.547  -0.141  -6.517
  182   1HG   GLU  22          2HG       GLU  22  -4.098   2.525  -5.143
  183   2HG   GLU  22          1HG       GLU  22  -2.807   1.418  -5.610
  184    H    TYR  23           H        TYR  23  -7.597  -0.589  -4.561
  185    HA   TYR  23           HA       TYR  23  -8.298  -2.291  -6.893
  186   1HB   TYR  23          2HB       TYR  23  -8.207  -2.519  -3.911
  187   2HB   TYR  23          1HB       TYR  23  -9.269  -3.613  -4.799
  188    HD1  TYR  23           1HD      TYR  23  -5.774  -2.247  -4.983
  189    HD2  TYR  23           2HD      TYR  23  -8.373  -5.614  -5.585
  190    HE1  TYR  23           1HE      TYR  23  -3.822  -3.643  -5.606
  191    HE2  TYR  23           2HE      TYR  23  -6.421  -7.010  -6.209
  192    HH   TYR  23           HH       TYR  23  -3.925  -6.985  -5.753
  193    H    ARG  24           H        ARG  24  -9.651   0.444  -5.825
  194    HA   ARG  24           HA       ARG  24 -12.412  -0.466  -5.446
  195   1HB   ARG  24          2HB       ARG  24 -10.908   2.125  -5.393
  196   2HB   ARG  24          1HB       ARG  24 -12.669   2.131  -5.514
  197   1HG   ARG  24          2HG       ARG  24 -12.952   1.071  -3.442
  198   2HG   ARG  24          1HG       ARG  24 -11.302   0.449  -3.429
  199   1HD   ARG  24          2HD       ARG  24 -10.390   2.508  -2.779
  200   2HD   ARG  24          1HD       ARG  24 -11.767   3.427  -3.416
  201    HE   ARG  24           HE       ARG  24 -12.765   1.691  -1.401
  202   1HH1  ARG  24          1HH1      ARG  24  -9.934   3.188  -0.791
  203   2HH1  ARG  24          2HH1      ARG  24 -10.532   4.339   0.357
  204   1HH2  ARG  24          1HH2      ARG  24 -13.868   3.697  -0.340
  205   2HH2  ARG  24          2HH2      ARG  24 -12.760   4.628   0.612
  206    HA   PRO  25           HA       PRO  25 -12.892   1.840  -9.658
  207   1HB   PRO  25          2HB       PRO  25 -10.691   1.965 -11.281
  208   2HB   PRO  25          1HB       PRO  25 -11.172   3.267 -10.175
  209   1HG   PRO  25          2HG       PRO  25  -9.083   1.178  -9.847
  210   2HG   PRO  25          1HG       PRO  25  -9.056   2.886  -9.383
  211   1HD   PRO  25          2HD       PRO  25  -9.473   0.885  -7.632
  212   2HD   PRO  25          1HD       PRO  25 -10.162   2.504  -7.406
  213    H    LYS  26           H        LYS  26 -10.984  -0.972  -9.035
  214    HA   LYS  26           HA       LYS  26 -11.360  -2.323 -11.587
  215   1HB   LYS  26          2HB       LYS  26  -9.637  -2.769  -9.747
  216   2HB   LYS  26          1HB       LYS  26 -10.957  -3.486  -8.817
  217   1HG   LYS  26          2HG       LYS  26 -10.478  -4.397 -11.639
  218   2HG   LYS  26          1HG       LYS  26  -9.459  -5.024 -10.343
  219   1HD   LYS  26          2HD       LYS  26 -11.700  -5.493  -9.110
  220   2HD   LYS  26          1HD       LYS  26 -12.436  -5.316 -10.702
  221   1HE   LYS  26          2HE       LYS  26 -10.659  -7.016 -11.513
  222   2HE   LYS  26          1HE       LYS  26 -10.423  -7.378  -9.791
  223   1HZ   LYS  26          1HZ       LYS  26 -12.783  -7.758  -9.559
  224   2HZ   LYS  26          2HZ       LYS  26 -12.170  -8.764 -10.783
  225   3HZ   LYS  26          3HZ       LYS  26 -13.048  -7.367 -11.188
  226    H    ILE  27           H        ILE  27 -12.872  -2.550  -8.368
  227    HA   ILE  27           HA       ILE  27 -14.909  -4.435  -8.867
  228    HB   ILE  27           HB       ILE  27 -15.091  -1.897  -7.199
  229   1HG1  ILE  27          2HG1      ILE  27 -13.044  -2.968  -6.516
  230   2HG1  ILE  27          1HG1      ILE  27 -14.259  -3.366  -5.315
  231   1HG2  ILE  27          1HG2      ILE  27 -16.526  -3.361  -5.749
  232   2HG2  ILE  27          2HG2      ILE  27 -16.454  -4.590  -7.011
  233   3HG2  ILE  27          3HG2      ILE  27 -17.206  -3.029  -7.342
  234   1HD1  ILE  27          1HD1      ILE  27 -13.164  -5.412  -5.748
  235   2HD1  ILE  27          2HD1      ILE  27 -13.146  -5.128  -7.490
  236   3HD1  ILE  27          3HD1      ILE  27 -14.664  -5.506  -6.673
  237    H    LYS  28           H        LYS  28 -14.761  -1.001  -9.597
  238    HA   LYS  28           HA       LYS  28 -17.560  -0.685 -10.238
  239   1HB   LYS  28          2HB       LYS  28 -15.468   1.096 -11.453
  240   2HB   LYS  28          1HB       LYS  28 -17.012   1.522 -10.730
  241   1HG   LYS  28          2HG       LYS  28 -14.415   0.879  -9.359
  242   2HG   LYS  28          1HG       LYS  28 -15.332   2.364  -9.267
  243   1HD   LYS  28          2HD       LYS  28 -16.108  -0.312  -8.056
  244   2HD   LYS  28          1HD       LYS  28 -15.577   1.123  -7.190
  245   1HE   LYS  28          2HE       LYS  28 -18.007   1.197  -9.001
  246   2HE   LYS  28          1HE       LYS  28 -18.126   0.736  -7.291
  247   1HZ   LYS  28          1HZ       LYS  28 -16.974   3.248  -8.381
  248   2HZ   LYS  28          2HZ       LYS  28 -16.872   2.782  -6.751
  249   3HZ   LYS  28          3HZ       LYS  28 -18.386   3.101  -7.454
  250    H    SER  29           H        SER  29 -14.681  -1.422 -12.174
  251    HA   SER  29           HA       SER  29 -15.800  -1.122 -14.775
  252   1HB   SER  29          2HB       SER  29 -13.390  -1.498 -14.068
  253   2HB   SER  29          1HB       SER  29 -13.792  -3.200 -13.859
  254    HG   SER  29           HG       SER  29 -13.933  -3.434 -15.968
  255    H    GLU  30           H        GLU  30 -16.208  -3.658 -12.383
  256    HA   GLU  30           HA       GLU  30 -17.764  -5.279 -14.373
  257   1HB   GLU  30          2HB       GLU  30 -15.812  -5.842 -12.241
  258   2HB   GLU  30          1HB       GLU  30 -17.233  -6.882 -12.185
  259   1HG   GLU  30          2HG       GLU  30 -15.769  -6.394 -14.776
  260   2HG   GLU  30          1HG       GLU  30 -15.243  -7.649 -13.654
  261    H    HIS  31           H        HIS  31 -17.892  -3.578 -11.322
  262    HA   HIS  31           HA       HIS  31 -20.723  -4.510 -10.951
  263   1HB   HIS  31          2HB       HIS  31 -18.800  -3.526  -8.817
  264   2HB   HIS  31          1HB       HIS  31 -20.360  -4.297  -8.567
  265    HD1  HIS  31           1HD      HIS  31 -16.787  -5.028  -9.254
  266    HD2  HIS  31           2HD      HIS  31 -20.377  -7.145  -9.129
  267    HE1  HIS  31           1HE      HIS  31 -16.169  -7.480  -9.232
  268    HA   PRO  32           HA       PRO  32 -20.927  -0.013 -11.721
  269   1HB   PRO  32          2HB       PRO  32 -23.425  -0.036 -12.832
  270   2HB   PRO  32          1HB       PRO  32 -21.953  -0.379 -13.753
  271   1HG   PRO  32          2HG       PRO  32 -23.992  -2.247 -12.696
  272   2HG   PRO  32          1HG       PRO  32 -23.030  -2.341 -14.179
  273   1HD   PRO  32          2HD       PRO  32 -22.520  -3.769 -11.877
  274   2HD   PRO  32          1HD       PRO  32 -21.326  -3.423 -13.146
  275    H    GLY  33           H        GLY  33 -23.285  -2.193 -10.277
  276   1HA   GLY  33          2HA       GLY  33 -24.718  -0.064  -8.878
  277   2HA   GLY  33          1HA       GLY  33 -24.964  -1.795  -8.671
  278    H    LEU  34           H        LEU  34 -21.849  -1.892  -8.297
  279    HA   LEU  34           HA       LEU  34 -21.790  -2.116  -5.469
  280   1HB   LEU  34          2HB       LEU  34 -20.024  -2.330  -7.739
  281   2HB   LEU  34          1HB       LEU  34 -19.187  -1.476  -6.451
  282    HG   LEU  34           HG       LEU  34 -18.871  -3.944  -6.332
  283   1HD1  LEU  34          1HD1      LEU  34 -18.519  -3.138  -4.228
  284   2HD1  LEU  34          2HD1      LEU  34 -20.004  -4.023  -3.878
  285   3HD1  LEU  34          3HD1      LEU  34 -20.062  -2.286  -4.182
  286   1HD2  LEU  34          1HD2      LEU  34 -20.599  -5.422  -6.349
  287   2HD2  LEU  34          2HD2      LEU  34 -21.551  -4.080  -6.985
  288   3HD2  LEU  34          3HD2      LEU  34 -21.573  -4.435  -5.259
  289    H    SER  35           H        SER  35 -22.841  -0.066  -4.769
  290    HA   SER  35           HA       SER  35 -21.623   2.524  -5.200
  291   1HB   SER  35          2HB       SER  35 -23.486   1.429  -3.067
  292   2HB   SER  35          1HB       SER  35 -23.139   3.141  -3.293
  293    HG   SER  35           HG       SER  35 -25.047   2.019  -4.413
  294    H    ILE  36           H        ILE  36 -20.795   3.814  -3.186
  295    HA   ILE  36           HA       ILE  36 -18.369   2.705  -2.224
  296    HB   ILE  36           HB       ILE  36 -20.164   4.971  -1.323
  297   1HG1  ILE  36          2HG1      ILE  36 -17.869   6.103  -2.119
  298   2HG1  ILE  36          1HG1      ILE  36 -17.738   4.599  -3.029
  299   1HG2  ILE  36          1HG2      ILE  36 -19.035   4.443   0.708
  300   2HG2  ILE  36          2HG2      ILE  36 -18.059   5.719  -0.022
  301   3HG2  ILE  36          3HG2      ILE  36 -17.541   4.037  -0.136
  302   1HD1  ILE  36          1HD1      ILE  36 -20.319   6.125  -3.087
  303   2HD1  ILE  36          2HD1      ILE  36 -19.636   5.042  -4.300
  304   3HD1  ILE  36          3HD1      ILE  36 -18.974   6.664  -4.093
  305    H    GLY  37           H        GLY  37 -21.643   2.467  -0.961
  306   1HA   GLY  37          2HA       GLY  37 -21.051   1.621   1.696
  307   2HA   GLY  37          1HA       GLY  37 -22.523   1.207   0.814
  308    H    ASP  38           H        ASP  38 -22.060  -0.486  -1.021
  309    HA   ASP  38           HA       ASP  38 -21.078  -2.897   0.240
  310   1HB   ASP  38          2HB       ASP  38 -22.892  -2.510  -1.571
  311   2HB   ASP  38          1HB       ASP  38 -21.548  -2.475  -2.713
  312    H    THR  39           H        THR  39 -19.682  -0.558  -2.002
  313    HA   THR  39           HA       THR  39 -17.441  -2.113  -2.907
  314    HB   THR  39           HB       THR  39 -17.887   0.862  -2.547
  315    HG1  THR  39           1HG      THR  39 -18.602   0.774  -4.592
  316   1HG2  THR  39          1HG2      THR  39 -15.521   0.589  -2.740
  317   2HG2  THR  39          2HG2      THR  39 -16.092   1.021  -4.351
  318   3HG2  THR  39          3HG2      THR  39 -15.699  -0.656  -3.975
  319    H    ALA  40           H        ALA  40 -18.021  -0.233   0.015
  320    HA   ALA  40           HA       ALA  40 -15.248  -0.229   0.913
  321   1HB   ALA  40          1HB       ALA  40 -16.785   1.483   1.646
  322   2HB   ALA  40          2HB       ALA  40 -16.396   0.504   3.061
  323   3HB   ALA  40          3HB       ALA  40 -17.934   0.277   2.227
  324    H    LYS  41           H        LYS  41 -18.148  -2.158   1.700
  325    HA   LYS  41           HA       LYS  41 -16.604  -3.890   3.509
  326   1HB   LYS  41          2HB       LYS  41 -18.782  -4.874   3.976
  327   2HB   LYS  41          1HB       LYS  41 -18.929  -3.119   3.966
  328   1HG   LYS  41          2HG       LYS  41 -19.605  -3.385   1.485
  329   2HG   LYS  41          1HG       LYS  41 -19.830  -5.089   1.864
  330   1HD   LYS  41          2HD       LYS  41 -21.963  -4.001   2.158
  331   2HD   LYS  41          1HD       LYS  41 -21.336  -4.385   3.761
  332   1HE   LYS  41          2HE       LYS  41 -20.281  -1.849   3.258
  333   2HE   LYS  41          1HE       LYS  41 -21.923  -1.766   2.591
  334   1HZ   LYS  41          1HZ       LYS  41 -21.192  -2.781   5.288
  335   2HZ   LYS  41          2HZ       LYS  41 -22.762  -2.753   4.640
  336   3HZ   LYS  41          3HZ       LYS  41 -21.947  -1.298   4.962
  337    H    LYS  42           H        LYS  42 -17.222  -3.866   0.129
  338    HA   LYS  42           HA       LYS  42 -17.317  -6.773  -0.233
  339   1HB   LYS  42          2HB       LYS  42 -18.415  -5.205  -1.774
  340   2HB   LYS  42          1HB       LYS  42 -16.871  -4.426  -2.114
  341   1HG   LYS  42          2HG       LYS  42 -17.429  -5.979  -3.918
  342   2HG   LYS  42          1HG       LYS  42 -16.025  -6.578  -3.036
  343   1HD   LYS  42          2HD       LYS  42 -17.111  -8.498  -2.586
  344   2HD   LYS  42          1HD       LYS  42 -18.369  -7.600  -1.740
  345   1HE   LYS  42          2HE       LYS  42 -19.745  -8.380  -3.391
  346   2HE   LYS  42          1HE       LYS  42 -18.991  -7.130  -4.402
  347   1HZ   LYS  42          1HZ       LYS  42 -17.230  -8.705  -4.957
  348   2HZ   LYS  42          2HZ       LYS  42 -18.748  -9.305  -5.428
  349   3HZ   LYS  42          3HZ       LYS  42 -17.990  -9.906  -4.030
  350    H    LEU  43           H        LEU  43 -14.941  -4.281  -1.256
  351    HA   LEU  43           HA       LEU  43 -12.807  -5.917  -2.000
  352   1HB   LEU  43          2HB       LEU  43 -12.959  -3.227  -0.630
  353   2HB   LEU  43          1HB       LEU  43 -11.427  -3.899  -1.190
  354    HG   LEU  43           HG       LEU  43 -13.782  -3.781  -3.055
  355   1HD1  LEU  43          1HD1      LEU  43 -11.779  -1.543  -2.643
  356   2HD1  LEU  43          2HD1      LEU  43 -13.436  -1.504  -2.040
  357   3HD1  LEU  43          3HD1      LEU  43 -13.130  -1.560  -3.777
  358   1HD2  LEU  43          1HD2      LEU  43 -10.804  -3.490  -3.532
  359   2HD2  LEU  43          2HD2      LEU  43 -12.053  -3.785  -4.740
  360   3HD2  LEU  43          3HD2      LEU  43 -11.645  -5.040  -3.570
  361    H    GLY  44           H        GLY  44 -13.930  -5.249   1.263
  362   1HA   GLY  44          2HA       GLY  44 -11.548  -6.031   2.671
  363   2HA   GLY  44          1HA       GLY  44 -13.176  -6.011   3.353
  364    H    GLU  45           H        GLU  45 -14.346  -7.820   1.439
  365    HA   GLU  45           HA       GLU  45 -14.025 -10.328   2.659
  366   1HB   GLU  45          2HB       GLU  45 -15.751  -9.405   0.964
  367   2HB   GLU  45          1HB       GLU  45 -14.628  -9.961  -0.278
  368   1HG   GLU  45          2HG       GLU  45 -14.670 -12.229   0.918
  369   2HG   GLU  45          1HG       GLU  45 -16.062 -11.613   1.808
  370    H    MET  46           H        MET  46 -12.176  -8.944  -0.036
  371    HA   MET  46           HA       MET  46 -10.677 -11.438  -0.507
  372   1HB   MET  46          2HB       MET  46 -10.405  -8.596  -1.543
  373   2HB   MET  46          1HB       MET  46  -9.537  -9.990  -2.185
  374   1HG   MET  46          2HG       MET  46 -11.853 -11.059  -2.528
  375   2HG   MET  46          1HG       MET  46 -12.505  -9.442  -2.269
  376   1HE   MET  46          1HE       MET  46 -11.134 -11.858  -5.017
  377   2HE   MET  46          2HE       MET  46 -12.129 -10.896  -6.106
  378   3HE   MET  46          3HE       MET  46 -12.779 -11.406  -4.551
  379    H    TRP  47           H        TRP  47 -10.049  -8.197   0.843
  380    HA   TRP  47           HA       TRP  47  -7.301  -8.342   1.370
  381   1HB   TRP  47          2HB       TRP  47  -8.846  -6.407   1.720
  382   2HB   TRP  47          1HB       TRP  47  -9.463  -7.202   3.168
  383    HD1  TRP  47           HD       TRP  47  -8.328  -6.442   5.301
  384    HE1  TRP  47           1HE      TRP  47  -6.010  -5.513   5.940
  385    HE3  TRP  47           3HE      TRP  47  -6.046  -6.550   0.734
  386    HZ2  TRP  47           2HZ      TRP  47  -3.516  -4.898   4.679
  387    HZ3  TRP  47           3HZ      TRP  47  -3.701  -5.789   0.481
  388    HH2  TRP  47           HH       TRP  47  -2.434  -4.964   2.446
  389    H    SER  48           H        SER  48  -9.960  -9.784   3.275
  390    HA   SER  48           HA       SER  48  -8.118 -10.742   5.361
  391   1HB   SER  48          2HB       SER  48 -10.560  -9.942   5.585
  392   2HB   SER  48          1HB       SER  48 -11.010 -11.494   4.886
  393    HG   SER  48           HG       SER  48 -10.081 -12.525   6.606
  394    H    GLU  49           H        GLU  49  -9.674 -11.959   2.450
  395    HA   GLU  49           HA       GLU  49  -9.483 -14.766   2.870
  396   1HB   GLU  49          2HB       GLU  49  -9.518 -12.886   0.535
  397   2HB   GLU  49          1HB       GLU  49  -9.159 -14.587   0.233
  398   1HG   GLU  49          2HG       GLU  49 -11.527 -13.799   1.919
  399   2HG   GLU  49          1HG       GLU  49 -11.646 -13.826   0.159
  400    H    GLN  50           H        GLN  50  -7.076 -12.433   1.673
  401    HA   GLN  50           HA       GLN  50  -5.036 -14.382   1.030
  402   1HB   GLN  50          2HB       GLN  50  -4.958 -11.426   1.722
  403   2HB   GLN  50          1HB       GLN  50  -3.595 -12.320   1.049
  404   1HG   GLN  50          2HG       GLN  50  -6.132 -12.649  -0.436
  405   2HG   GLN  50          1HG       GLN  50  -5.476 -11.012  -0.458
  406   1HE2  GLN  50          1HE2      GLN  50  -3.602 -14.070  -0.320
  407   2HE2  GLN  50          2HE2      GLN  50  -2.808 -13.830  -1.801
  408    H    SER  51           H        SER  51  -2.908 -14.452   2.284
  409    HA   SER  51           HA       SER  51  -3.200 -13.966   5.207
  410   1HB   SER  51          2HB       SER  51  -2.444 -16.642   4.001
  411   2HB   SER  51          1HB       SER  51  -2.707 -16.287   5.706
  412    HG   SER  51           HG       SER  51  -4.480 -17.034   3.894
  413    H    ALA  52           H        ALA  52  -1.448 -12.537   5.274
  414    HA   ALA  52           HA       ALA  52   0.798 -11.807   5.205
  415   1HB   ALA  52          1HB       ALA  52   1.270 -14.799   5.370
  416   2HB   ALA  52          2HB       ALA  52   0.802 -13.798   6.744
  417   3HB   ALA  52          3HB       ALA  52   2.349 -13.527   5.943
  418    H    LYS  53           H        LYS  53  -0.273 -11.911   2.637
  419    HA   LYS  53           HA       LYS  53   2.109 -12.740   1.039
  420   1HB   LYS  53          2HB       LYS  53  -0.096 -14.298   1.185
  421   2HB   LYS  53          1HB       LYS  53  -0.594 -13.218  -0.117
  422   1HG   LYS  53          2HG       LYS  53   1.624 -13.701  -1.238
  423   2HG   LYS  53          1HG       LYS  53   1.884 -14.954  -0.022
  424   1HD   LYS  53          2HD       LYS  53  -0.375 -15.913  -0.716
  425   2HD   LYS  53          1HD       LYS  53  -0.317 -14.812  -2.092
  426   1HE   LYS  53          2HE       LYS  53   0.642 -16.800  -2.953
  427   2HE   LYS  53          1HE       LYS  53   2.066 -15.847  -2.489
  428   1HZ   LYS  53          1HZ       LYS  53   0.691 -17.844  -0.769
  429   2HZ   LYS  53          2HZ       LYS  53   2.047 -16.921  -0.327
  430   3HZ   LYS  53          3HZ       LYS  53   2.172 -18.086  -1.558
  431    H    ASP  54           H        ASP  54  -1.159 -11.396   0.406
  432    HA   ASP  54           HA       ASP  54  -0.282  -9.552  -1.607
  433   1HB   ASP  54          2HB       ASP  54  -2.610 -10.497  -1.081
  434   2HB   ASP  54          1HB       ASP  54  -2.705  -9.268   0.182
  435    H    LYS  55           H        LYS  55  -0.356  -9.328   1.894
  436    HA   LYS  55           HA       LYS  55  -0.149  -6.409   1.982
  437   1HB   LYS  55          2HB       LYS  55   0.232  -8.644   3.997
  438   2HB   LYS  55          1HB       LYS  55   0.269  -6.931   4.417
  439   1HG   LYS  55          2HG       LYS  55  -1.994  -6.652   4.066
  440   2HG   LYS  55          1HG       LYS  55  -2.065  -7.913   2.836
  441   1HD   LYS  55          2HD       LYS  55  -3.190  -8.833   4.717
  442   2HD   LYS  55          1HD       LYS  55  -1.586  -9.570   4.741
  443   1HE   LYS  55          2HE       LYS  55  -0.830  -7.916   6.409
  444   2HE   LYS  55          1HE       LYS  55  -2.432  -7.151   6.379
  445   1HZ   LYS  55          1HZ       LYS  55  -3.424  -9.252   7.014
  446   2HZ   LYS  55          2HZ       LYS  55  -2.262  -8.794   8.165
  447   3HZ   LYS  55          3HZ       LYS  55  -1.904 -10.005   7.027
  448    H    GLN  56           H        GLN  56   2.092  -9.154   2.161
  449    HA   GLN  56           HA       GLN  56   4.447  -8.047   3.122
  450   1HB   GLN  56          2HB       GLN  56   3.655 -10.129   1.182
  451   2HB   GLN  56          1HB       GLN  56   5.323  -9.580   1.024
  452   1HG   GLN  56          2HG       GLN  56   4.125 -10.361   3.688
  453   2HG   GLN  56          1HG       GLN  56   4.933 -11.525   2.638
  454   1HE2  GLN  56          1HE2      GLN  56   5.448  -8.723   4.727
  455   2HE2  GLN  56          2HE2      GLN  56   7.144  -8.796   4.713
  456    HA   PRO  57           HA       PRO  57   5.647  -6.162  -1.076
  457   1HB   PRO  57          2HB       PRO  57   3.867  -6.156  -3.136
  458   2HB   PRO  57          1HB       PRO  57   4.981  -7.505  -2.834
  459   1HG   PRO  57          2HG       PRO  57   2.096  -7.260  -2.220
  460   2HG   PRO  57          1HG       PRO  57   3.022  -8.677  -2.728
  461   1HD   PRO  57          2HD       PRO  57   2.217  -8.163  -0.141
  462   2HD   PRO  57          1HD       PRO  57   3.570  -9.222  -0.590
  463    H    TYR  58           H        TYR  58   2.142  -5.806  -0.526
  464    HA   TYR  58           HA       TYR  58   2.123  -2.980  -1.250
  465   1HB   TYR  58          2HB       TYR  58   0.295  -5.125  -0.817
  466   2HB   TYR  58          1HB       TYR  58  -0.179  -3.823   0.266
  467    HD1  TYR  58           1HD      TYR  58  -0.220  -5.032  -3.109
  468    HD2  TYR  58           2HD      TYR  58  -0.391  -1.451  -0.743
  469    HE1  TYR  58           1HE      TYR  58  -1.212  -3.813  -5.027
  470    HE2  TYR  58           2HE      TYR  58  -1.384  -0.233  -2.662
  471    HH   TYR  58           HH       TYR  58  -1.228  -1.143  -5.695
  472    H    GLU  59           H        GLU  59   3.455  -4.356   1.457
  473    HA   GLU  59           HA       GLU  59   2.366  -2.312   3.340
  474   1HB   GLU  59          2HB       GLU  59   3.460  -3.695   5.051
  475   2HB   GLU  59          1HB       GLU  59   2.450  -4.697   4.016
  476   1HG   GLU  59          2HG       GLU  59   4.237  -5.977   3.523
  477   2HG   GLU  59          1HG       GLU  59   5.032  -4.577   2.805
  478    H    GLN  60           H        GLN  60   5.169  -2.982   1.392
  479    HA   GLN  60           HA       GLN  60   7.034  -1.382   2.978
  480   1HB   GLN  60          2HB       GLN  60   8.543  -1.873   1.118
  481   2HB   GLN  60          1HB       GLN  60   7.645  -3.330   1.526
  482   1HG   GLN  60          2HG       GLN  60   5.970  -2.420  -0.322
  483   2HG   GLN  60          1HG       GLN  60   7.404  -1.565  -0.884
  484   1HE2  GLN  60          1HE2      GLN  60   9.378  -3.546  -0.190
  485   2HE2  GLN  60          2HE2      GLN  60   9.132  -4.902  -1.181
  486    H    LYS  61           H        LYS  61   4.802  -0.834   0.322
  487    HA   LYS  61           HA       LYS  61   5.832   1.612  -0.724
  488   1HB   LYS  61          2HB       LYS  61   4.028   0.182  -1.691
  489   2HB   LYS  61          1HB       LYS  61   2.952   0.705  -0.395
  490   1HG   LYS  61          2HG       LYS  61   2.944   2.952  -1.161
  491   2HG   LYS  61          1HG       LYS  61   4.340   2.684  -2.206
  492   1HD   LYS  61          2HD       LYS  61   2.819   0.924  -3.385
  493   2HD   LYS  61          1HD       LYS  61   1.494   1.780  -2.593
  494   1HE   LYS  61          2HE       LYS  61   3.581   3.281  -4.188
  495   2HE   LYS  61          1HE       LYS  61   2.141   2.591  -4.962
  496   1HZ   LYS  61          1HZ       LYS  61   0.769   3.723  -3.311
  497   2HZ   LYS  61          2HZ       LYS  61   1.691   4.838  -4.201
  498   3HZ   LYS  61          3HZ       LYS  61   2.150   4.421  -2.618
  499    H    ALA  62           H        ALA  62   3.609   0.989   1.996
  500    HA   ALA  62           HA       ALA  62   3.092   3.765   2.612
  501   1HB   ALA  62          1HB       ALA  62   2.630   1.074   3.752
  502   2HB   ALA  62          2HB       ALA  62   1.523   2.439   3.611
  503   3HB   ALA  62          3HB       ALA  62   2.683   2.379   4.938
  504    H    ALA  63           H        ALA  63   5.910   1.841   3.048
  505    HA   ALA  63           HA       ALA  63   6.843   3.289   5.452
  506   1HB   ALA  63          1HB       ALA  63   7.176   0.812   4.914
  507   2HB   ALA  63          2HB       ALA  63   8.634   1.694   5.369
  508   3HB   ALA  63          3HB       ALA  63   8.316   1.331   3.673
  509    H    LYS  64           H        LYS  64   6.580   4.194   2.306
  510    HA   LYS  64           HA       LYS  64   9.268   5.497   2.157
  511   1HB   LYS  64          2HB       LYS  64   7.099   4.799   0.159
  512   2HB   LYS  64          1HB       LYS  64   8.448   5.856  -0.255
  513   1HG   LYS  64          2HG       LYS  64   8.802   3.074   0.892
  514   2HG   LYS  64          1HG       LYS  64   8.812   3.421  -0.838
  515   1HD   LYS  64          2HD       LYS  64  10.662   5.085  -0.409
  516   2HD   LYS  64          1HD       LYS  64  10.728   4.490   1.251
  517   1HE   LYS  64          2HE       LYS  64  11.431   2.319   0.562
  518   2HE   LYS  64          1HE       LYS  64  10.978   2.628  -1.127
  519   1HZ   LYS  64          1HZ       LYS  64  12.633   4.352  -1.257
  520   2HZ   LYS  64          2HZ       LYS  64  13.379   2.920  -0.731
  521   3HZ   LYS  64          3HZ       LYS  64  13.034   4.158   0.380
  522    H    LEU  65           H        LEU  65   5.783   6.029   2.051
  523    HA   LEU  65           HA       LEU  65   5.943   8.918   1.692
  524   1HB   LEU  65          2HB       LEU  65   3.890   6.806   2.182
  525   2HB   LEU  65          1HB       LEU  65   3.438   8.470   2.549
  526    HG   LEU  65           HG       LEU  65   4.354   9.056   0.218
  527   1HD1  LEU  65          1HD1      LEU  65   4.119   6.041  -0.008
  528   2HD1  LEU  65          2HD1      LEU  65   5.587   6.998  -0.203
  529   3HD1  LEU  65          3HD1      LEU  65   4.284   7.132  -1.384
  530   1HD2  LEU  65          1HD2      LEU  65   2.221   8.811  -0.679
  531   2HD2  LEU  65          2HD2      LEU  65   1.873   8.605   1.038
  532   3HD2  LEU  65          3HD2      LEU  65   2.015   7.192  -0.009
  533    H    LYS  66           H        LYS  66   6.745   7.031   4.353
  534    HA   LYS  66           HA       LYS  66   5.573   8.810   6.404
  535   1HB   LYS  66          2HB       LYS  66   5.821   6.239   6.473
  536   2HB   LYS  66          1HB       LYS  66   7.536   6.537   6.762
  537   1HG   LYS  66          2HG       LYS  66   7.161   7.498   8.843
  538   2HG   LYS  66          1HG       LYS  66   5.518   7.993   8.433
  539   1HD   LYS  66          2HD       LYS  66   4.647   5.836   8.763
  540   2HD   LYS  66          1HD       LYS  66   6.229   5.072   8.599
  541   1HE   LYS  66          2HE       LYS  66   5.753   7.013  10.854
  542   2HE   LYS  66          1HE       LYS  66   5.213   5.329  11.003
  543   1HZ   LYS  66          1HZ       LYS  66   7.947   6.180  10.206
  544   2HZ   LYS  66          2HZ       LYS  66   7.414   4.579  10.403
  545   3HZ   LYS  66          3HZ       LYS  66   7.519   5.613  11.747
  546    H    GLU  67           H        GLU  67   8.572   8.334   4.651
  547    HA   GLU  67           HA       GLU  67  10.222   9.836   6.569
  548   1HB   GLU  67          2HB       GLU  67  10.514   8.417   3.953
  549   2HB   GLU  67          1HB       GLU  67  11.735   9.621   4.369
  550   1HG   GLU  67          2HG       GLU  67  12.078   8.478   6.553
  551   2HG   GLU  67          1HG       GLU  67  10.925   7.238   6.059
  552    H    LYS  68           H        LYS  68   8.121  10.595   3.917
  553    HA   LYS  68           HA       LYS  68   9.418  13.246   3.479
  554   1HB   LYS  68          2HB       LYS  68   7.658  11.370   1.984
  555   2HB   LYS  68          1HB       LYS  68   7.387  13.089   1.692
  556   1HG   LYS  68          2HG       LYS  68   9.031  12.574   0.105
  557   2HG   LYS  68          1HG       LYS  68   9.990  13.194   1.448
  558   1HD   LYS  68          2HD       LYS  68  11.088  11.188   0.841
  559   2HD   LYS  68          1HD       LYS  68  10.117  10.738   2.243
  560   1HE   LYS  68          2HE       LYS  68   8.396   9.773   0.823
  561   2HE   LYS  68          1HE       LYS  68   9.214  10.369  -0.636
  562   1HZ   LYS  68          1HZ       LYS  68   9.824   8.069  -0.194
  563   2HZ   LYS  68          2HZ       LYS  68  10.369   8.489   1.359
  564   3HZ   LYS  68          3HZ       LYS  68  11.171   9.084  -0.017
  565    H    TYR  69           H        TYR  69   6.540  11.696   4.769
  566    HA   TYR  69           HA       TYR  69   4.941  14.137   4.969
  567   1HB   TYR  69          2HB       TYR  69   4.047  11.813   4.754
  568   2HB   TYR  69          1HB       TYR  69   4.721  11.430   6.336
  569    HD1  TYR  69           1HD      TYR  69   1.901  12.745   4.581
  570    HD2  TYR  69           2HD      TYR  69   3.981  12.923   8.333
  571    HE1  TYR  69           1HE      TYR  69  -0.135  13.658   5.664
  572    HE2  TYR  69           2HE      TYR  69   1.947  13.836   9.418
  573    HH   TYR  69           HH       TYR  69  -0.664  13.671   8.859
  574    H    GLU  70           H        GLU  70   6.632  12.043   7.316
  575    HA   GLU  70           HA       GLU  70   6.182  13.622   9.641
  576   1HB   GLU  70          2HB       GLU  70   8.199  11.578   8.750
  577   2HB   GLU  70          1HB       GLU  70   8.390  12.365  10.316
  578   1HG   GLU  70          2HG       GLU  70   5.900  11.742  10.696
  579   2HG   GLU  70          1HG       GLU  70   6.130  10.617   9.357
  580    H    LYS  71           H        LYS  71   8.281  14.269   6.940
  581    HA   LYS  71           HA       LYS  71   9.888  16.189   8.573
  582   1HB   LYS  71          2HB       LYS  71  10.239  14.833   5.887
  583   2HB   LYS  71          1HB       LYS  71  11.302  16.127   6.439
  584   1HG   LYS  71          2HG       LYS  71  11.801  14.792   8.489
  585   2HG   LYS  71          1HG       LYS  71  10.827  13.476   7.831
  586   1HD   LYS  71          2HD       LYS  71  12.354  13.684   5.739
  587   2HD   LYS  71          1HD       LYS  71  13.441  14.572   6.808
  588   1HE   LYS  71          2HE       LYS  71  13.627  12.680   8.310
  589   2HE   LYS  71          1HE       LYS  71  12.361  11.800   7.430
  590   1HZ   LYS  71          1HZ       LYS  71  13.702  11.791   5.468
  591   2HZ   LYS  71          2HZ       LYS  71  14.649  11.183   6.741
  592   3HZ   LYS  71          3HZ       LYS  71  14.879  12.774   6.191
  593    H    ASP  72           H        ASP  72   7.672  15.893   5.843
  594    HA   ASP  72           HA       ASP  72   7.952  18.718   5.057
  595   1HB   ASP  72          2HB       ASP  72   7.557  16.740   3.523
  596   2HB   ASP  72          1HB       ASP  72   5.932  16.625   4.201
  597    H    ILE  73           H        ILE  73   5.715  16.705   6.926
  598    HA   ILE  73           HA       ILE  73   3.546  18.591   7.056
  599    HB   ILE  73           HB       ILE  73   3.530  16.108   7.565
  600   1HG1  ILE  73          2HG1      ILE  73   2.043  16.443   9.668
  601   2HG1  ILE  73          1HG1      ILE  73   2.383  18.160   9.449
  602   1HG2  ILE  73          1HG2      ILE  73   4.315  15.273   9.640
  603   2HG2  ILE  73          2HG2      ILE  73   4.517  16.892  10.310
  604   3HG2  ILE  73          3HG2      ILE  73   5.621  16.310   9.065
  605   1HD1  ILE  73          1HD1      ILE  73   1.296  16.376   7.254
  606   2HD1  ILE  73          2HD1      ILE  73   1.457  18.131   7.217
  607   3HD1  ILE  73          3HD1      ILE  73   0.282  17.376   8.293
  608    H    ALA  74           H        ALA  74   6.538  18.237   8.861
  609    HA   ALA  74           HA       ALA  74   6.080  19.706  11.203
  610   1HB   ALA  74          1HB       ALA  74   8.451  19.598   9.318
  611   2HB   ALA  74          2HB       ALA  74   8.171  18.596  10.742
  612   3HB   ALA  74          3HB       ALA  74   8.533  20.312  10.929
  613    H    ALA  75           H        ALA  75   6.519  20.928   7.911
  614    HA   ALA  75           HA       ALA  75   6.725  23.736   8.679
  615   1HB   ALA  75          1HB       ALA  75   6.079  22.330   6.066
  616   2HB   ALA  75          2HB       ALA  75   7.683  22.816   6.613
  617   3HB   ALA  75          3HB       ALA  75   6.478  24.041   6.217
  618    H    TYR  76           H        TYR  76   4.108  21.551   8.609
  619    HA   TYR  76           HA       TYR  76   2.105  23.699   8.066
  620   1HB   TYR  76          2HB       TYR  76   2.104  21.525   6.789
  621   2HB   TYR  76          1HB       TYR  76   1.783  20.691   8.309
  622    HD1  TYR  76           1HD      TYR  76   0.474  23.438   6.128
  623    HD2  TYR  76           2HD      TYR  76  -0.423  20.451   9.082
  624    HE1  TYR  76           1HE      TYR  76  -1.945  23.925   5.885
  625    HE2  TYR  76           2HE      TYR  76  -2.843  20.938   8.839
  626    HH   TYR  76           HH       TYR  76  -4.285  22.045   6.666
  627    H    ARG  77           H        ARG  77   3.680  22.249  10.671
  628    HA   ARG  77           HA       ARG  77   1.315  22.638  12.477
  629   1HB   ARG  77          2HB       ARG  77   3.559  20.654  12.330
  630   2HB   ARG  77          1HB       ARG  77   2.856  21.021  13.906
  631   1HG   ARG  77          2HG       ARG  77   0.586  20.546  12.918
  632   2HG   ARG  77          1HG       ARG  77   1.403  19.986  11.458
  633   1HD   ARG  77          2HD       ARG  77   2.229  18.077  12.488
  634   2HD   ARG  77          1HD       ARG  77   2.272  18.838  14.092
  635    HE   ARG  77           HE       ARG  77  -0.355  18.287  12.782
  636   1HH1  ARG  77          1HH1      ARG  77  -0.089  19.439  15.568
  637   2HH1  ARG  77          2HH1      ARG  77  -0.330  18.031  16.550
  638   1HH2  ARG  77          1HH2      ARG  77   0.193  15.802  13.946
  639   2HH2  ARG  77          2HH2      ARG  77  -0.170  15.973  15.631
  640    H    ALA  78           H        ALA  78   4.743  23.309  11.939
  641    HA   ALA  78           HA       ALA  78   6.242  24.768  13.034
  642   1HB   ALA  78          1HB       ALA  78   5.222  26.873  13.640
  643   2HB   ALA  78          2HB       ALA  78   3.657  26.101  13.891
  644   3HB   ALA  78          3HB       ALA  78   4.323  26.236  12.263
  645    H    LYS  79           H        LYS  79   6.610  22.862  14.577
  646    HA   LYS  79           HA       LYS  79   5.574  23.457  17.326
  647   1HB   LYS  79          2HB       LYS  79   6.101  21.057  17.732
  648   2HB   LYS  79          1HB       LYS  79   4.968  21.265  16.398
  649   1HG   LYS  79          2HG       LYS  79   7.719  21.368  15.451
  650   2HG   LYS  79          1HG       LYS  79   7.412  19.871  16.329
  651   1HD   LYS  79          2HD       LYS  79   5.469  20.862  14.248
  652   2HD   LYS  79          1HD       LYS  79   6.887  19.921  13.786
  653   1HE   LYS  79          2HE       LYS  79   6.085  18.261  15.655
  654   2HE   LYS  79