*HEADER    DNA BINDING PROTEIN                     23-JAN-03   1J3D              
*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                                                      
*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 1J3D    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#  )  2.5  1.8  1.8 !        M1     
assign (resi    1  and name HA   ) (resi    1  and name HG#  )  3.8  2.8  2.8 !        M1     
assign (resi    1  and name HA   ) (resi    2  and name HA   )  3.7  1.7  1.7
assign (resi    1  and name HG#  ) (resi    2  and name HA   )  4.5  3.5  2.5 ! M1     


! K2
assign (resi    2  and name HA   ) (resi    2  and name HB#  )  2.8  2.0  2.0 !        K2     
assign (resi    2  and name HA   ) (resi    2  and name HG#  )  3.0  2.2  2.2 !        K2     
assign (resi    2  and name HA   ) (resi    2  and name HD#  )  3.5  2.5  2.5 !        K2     
assign (resi    2  and name HA   ) (resi    2  and name HE#  )  3.9  2.9  2.9 !        K2     
assign (resi    2  and name HA   ) (resi    3  and name HN   )  2.3  0.7  0.7
assign (resi    2  and name HB#  ) (resi    3  and name HA   )  2.6  3.6  4.4 ! K2     


! K3
assign (resi    3  and name HA   ) (resi    3  and name HB#  )  2.4  1.7  1.7 !        K3     
assign (resi    3  and name HA   ) (resi    3  and name HG#  )  2.9  2.1  2.1 !        K3     
assign (resi    3  and name HA   ) (resi    3  and name HD#  )  3.3  2.4  2.4 !        K3     
assign (resi    3  and name HA   ) (resi    3  and name HE#  )  3.1  4.1  3.9 !        K3     
assign (resi    3  and name HA   ) (resi    4  and name HA   )  4.0  2.0  2.0
assign (resi    3  and name HA   ) (resi    4  and name HB1  )  4.9  3.0  1.1
assign (resi    3  and name HA   ) (resi    4  and name HB2  )  4.6  2.6  1.4
assign (resi    3  and name HA   ) (resi    4  and name HN   )  2.2  0.6  0.6
assign (resi    3  and name HA   ) (resi    7  and name HN   )  5.4  3.6  0.6
assign (resi    3  and name HB#  ) (resi    3  and name HN   )  2.7  1.9  1.9 ! K3     
assign (resi    3  and name HB#  ) (resi    4  and name HA   )  4.3  3.3  2.7 ! K3     
assign (resi    3  and name HB#  ) (resi   10  and name HB#  )  2.7  4.7  5.3 ! K3     R10     
assign (resi    3  and name HG#  ) (resi    3  and name HN   )  3.7  2.7  2.7 ! K3     
assign (resi    3  and name HG#  ) (resi    8  and name HA   )  3.9  4.9  3.1 ! K3     
assign (resi    3  and name HE#  ) (resi    7  and name HB#  )  3.7  4.2  4.2 ! K3     A7     


! D4
assign (resi    4  and name HA   ) (resi    4  and name HB1  )  2.4  0.7  0.7
assign (resi    4  and name HA   ) (resi    4  and name HB2  )  2.8  0.9  0.9
assign (resi    4  and name HA   ) (resi    4  and name HN   )  2.9  1.1  1.1
assign (resi    4  and name HA   ) (resi    5  and name HA   )  3.8  1.8  1.8
assign (resi    4  and name HA   ) (resi    5  and name HG#  )  4.5  3.5  2.5 !        P5     
assign (resi    4  and name HA   ) (resi    5  and name HD#  )  2.0  1.5  1.5 !        P5     
assign (resi    4  and name HA   ) (resi    6  and name HN   )  4.0  2.0  2.0
assign (resi    4  and name HB1  ) (resi    4  and name HB2  )  1.7  0.4  0.5
assign (resi    4  and name HB1  ) (resi    4  and name HN   )  3.2  1.3  1.3
assign (resi    4  and name HB1  ) (resi    5  and name HD#  )  3.6  2.6  2.6 !        P5     
assign (resi    4  and name HB1  ) (resi    7  and name HB#  )  3.7  3.2  3.2 !        A7     
assign (resi    4  and name HB1  ) (resi    7  and name HN   )  4.5  2.6  1.5
assign (resi    4  and name HB2  ) (resi    4  and name HN   )  2.6  0.8  0.8
assign (resi    4  and name HB2  ) (resi    5  and name HD#  )  4.7  3.8  2.3 !        P5     
assign (resi    4  and name HB2  ) (resi    7  and name HB#  )  2.8  2.5  2.5 !        A7     
assign (resi    4  and name HB2  ) (resi   75  and name HE#  )  4.8  5.8  4.2 !        Y75     
assign (resi    4  and name HN   ) (resi    5  and name HD#  )  4.8  3.9  2.2 !        P5     
assign (resi    4  and name HN   ) (resi    7  and name HB#  )  4.0  3.5  3.5 !        A7     


! P5
assign (resi    5  and name HA   ) (resi    5  and name HB1  )  2.0  0.5  0.5
assign (resi    5  and name HA   ) (resi    5  and name HB2  )  2.6  0.9  0.9
assign (resi    5  and name HA   ) (resi    5  and name HG#  )  3.2  2.2  2.2 !        P5     
assign (resi    5  and name HA   ) (resi    5  and name HD#  )  3.1  2.2  2.2 !        P5     
assign (resi    5  and name HA   ) (resi    6  and name HB2  )  3.9  1.9  1.9
assign (resi    5  and name HA   ) (resi    6  and name HN   )  3.0  1.1  1.1
assign (resi    5  and name HA   ) (resi    7  and name HN   )  4.1  2.1  1.9
assign (resi    5  and name HB1  ) (resi    5  and name HB2  )  1.9  0.4  0.4
assign (resi    5  and name HB1  ) (resi    5  and name HD#  )  4.0  3.0  3.0 !        P5     
assign (resi    5  and name HB1  ) (resi    6  and name HN   )  4.8  2.9  1.2
assign (resi    5  and name HB1  ) (resi    7  and name HN   )  5.7  4.1  0.3
assign (resi    5  and name HB2  ) (resi    5  and name HD#  )  3.7  2.7  2.7 !        P5     
assign (resi    5  and name HB2  ) (resi    6  and name HD21 )  3.8  1.8  1.8
assign (resi    5  and name HB2  ) (resi    6  and name HD22 )  4.0  2.0  2.0
assign (resi    5  and name HB2  ) (resi    7  and name HN   )  5.3  3.5  0.7
assign (resi    5  and name HG#  ) (resi    6  and name HA   )  4.3  3.4  2.7 ! P5     
assign (resi    5  and name HD#  ) (resi    6  and name HN   )  3.0  2.1  2.1 ! P5     
assign (resi    5  and name HD#  ) (resi    7  and name HN   )  5.0  4.2  2.0 ! P5     


! N6
assign (resi    6  and name HA   ) (resi    6  and name HB1  )  2.2  0.6  0.6
assign (resi    6  and name HA   ) (resi    6  and name HB2  )  2.6  0.8  0.8
assign (resi    6  and name HA   ) (resi    6  and name HN   )  2.5  0.8  0.8
assign (resi    6  and name HB1  ) (resi    6  and name HB2  )  1.6  0.3  0.6
assign (resi    6  and name HB1  ) (resi    6  and name HN   )  3.3  1.4  1.4
assign (resi    6  and name HB1  ) (resi    7  and name HA   )  3.9  1.9  1.9
assign (resi    6  and name HB1  ) (resi    7  and name HN   )  3.6  1.6  1.6
assign (resi    6  and name HB2  ) (resi    6  and name HD21 )  3.2  1.3  1.3
assign (resi    6  and name HB2  ) (resi    6  and name HD22 )  3.2  1.3  1.3
assign (resi    6  and name HB2  ) (resi    6  and name HN   )  2.4  0.7  0.7
assign (resi    6  and name HB2  ) (resi    7  and name HN   )  3.0  1.2  1.2
assign (resi    6  and name HB2  ) (resi   75  and name HE#  )  3.3  4.3  4.3 !        Y75     
assign (resi    6  and name HD21 ) (resi    6  and name HD22 )  1.6  0.3  0.6
assign (resi    6  and name HD21 ) (resi    6  and name HN   )  3.9  1.9  1.9
assign (resi    6  and name HD22 ) (resi    6  and name HN   )  4.0  2.0  2.0
assign (resi    6  and name HN   ) (resi    7  and name HB#  )  4.6  4.2  2.9 !        A7     
assign (resi    6  and name HN   ) (resi    7  and name HN   )  2.6  0.8  0.8


! A7
assign (resi    7  and name HA   ) (resi    7  and name HB#  )  2.1  2.0  2.0 !        A7     
assign (resi    7  and name HA   ) (resi    7  and name HN   )  2.7  0.9  0.9
assign (resi    7  and name HA   ) (resi    8  and name HA   )  3.5  1.5  1.5
assign (resi    7  and name HA   ) (resi    8  and name HG1  )  4.1  2.1  1.9
assign (resi    7  and name HA   ) (resi    8  and name HG2  )  4.2  2.2  1.8
assign (resi    7  and name HA   ) (resi    8  and name HD1  )  1.9  0.4  0.4
assign (resi    7  and name HA   ) (resi    8  and name HD2  )  2.2  0.6  0.6
assign (resi    7  and name HA   ) (resi   75  and name HD#  )  2.5  2.8  2.8 !        Y75     
assign (resi    7  and name HA   ) (resi   75  and name HE#  )  2.6  3.8  3.8 !        Y75     
assign (resi    7  and name HB#  ) (resi    7  and name HN   )  2.3  2.2  2.2 ! A7     
assign (resi    7  and name HB#  ) (resi    8  and name HA   )  3.8  3.3  3.3 ! A7     
assign (resi    7  and name HB#  ) (resi    8  and name HD1  )  3.4  3.0  3.0 ! A7     
assign (resi    7  and name HB#  ) (resi    8  and name HD2  )  2.6  2.3  2.3 ! A7     
assign (resi    7  and name HB#  ) (resi    9  and name HA   )  3.8  3.3  3.3 ! A7     
assign (resi    7  and name HB#  ) (resi   68  and name HE#  )  4.4  6.9  6.1 ! A7     Y68     
assign (resi    7  and name HB#  ) (resi   72  and name HG2# )  3.4  4.4  4.4 ! A7     I72     
assign (resi    7  and name HB#  ) (resi   72  and name HD1# )  3.6  4.6  4.6 ! A7     I72     
assign (resi    7  and name HB#  ) (resi   75  and name HB1  )  4.2  3.7  3.3 ! A7     
assign (resi    7  and name HB#  ) (resi   75  and name HB2  )  4.7  4.2  2.8 ! A7     
assign (resi    7  and name HB#  ) (resi   75  and name HD#  )  4.6  6.2  4.9 ! A7     Y75     
assign (resi    7  and name HB#  ) (resi   75  and name HE#  )  2.5  7.0  8.0 ! A7     Y75     
assign (resi    7  and name HN   ) (resi    8  and name HD1  )  4.7  2.8  1.3
assign (resi    7  and name HN   ) (resi    8  and name HD2  )  5.0  3.2  1.0
assign (resi    7  and name HN   ) (resi   75  and name HE#  )  4.5  5.5  4.5 !        Y75     


! P8
assign (resi    8  and name HA   ) (resi    8  and name HB1  )  2.0  0.5  0.5
assign (resi    8  and name HA   ) (resi    8  and name HB2  )  2.7  0.9  0.9
assign (resi    8  and name HA   ) (resi    8  and name HG1  )  2.5  0.8  0.8
assign (resi    8  and name HA   ) (resi    8  and name HG2  )  3.4  1.5  1.5
assign (resi    8  and name HA   ) (resi    8  and name HD1  )  3.1  1.2  1.2
assign (resi    8  and name HA   ) (resi    8  and name HD2  )  3.4  1.4  1.4
assign (resi    8  and name HA   ) (resi    9  and name HN   )  2.0  0.5  0.5
assign (resi    8  and name HA   ) (resi   68  and name HE#  )  4.1  5.1  4.9 !        Y68     
assign (resi    8  and name HA   ) (resi   72  and name HD1# )  3.0  4.5  4.5 !        I72     
assign (resi    8  and name HB1  ) (resi    8  and name HB2  )  1.9  0.5  0.5
assign (resi    8  and name HB1  ) (resi    8  and name HD1  )  4.2  2.2  1.8
assign (resi    8  and name HB1  ) (resi    8  and name HD2  )  4.2  2.2  1.8
assign (resi    8  and name HB1  ) (resi    9  and name HN   )  3.4  1.4  1.4
assign (resi    8  and name HB1  ) (resi   71  and name HB1  )  3.7  1.7  1.7
assign (resi    8  and name HB1  ) (resi   71  and name HB2  )  3.6  1.6  1.6
assign (resi    8  and name HB1  ) (resi   72  and name HA   )  5.3  3.5  0.7
assign (resi    8  and name HB1  ) (resi   72  and name HD1# )  4.7  4.3  2.8 !        I72     
assign (resi    8  and name HB2  ) (resi    8  and name HD1  )  4.2  2.2  1.8
assign (resi    8  and name HB2  ) (resi    8  and name HD2  )  3.3  1.3  1.3
assign (resi    8  and name HB2  ) (resi    9  and name HN   )  3.4  1.4  1.4
assign (resi    8  and name HB2  ) (resi   72  and name HA   )  4.0  2.0  2.0
assign (resi    8  and name HB2  ) (resi   72  and name HD1# )  3.0  2.6  2.6 !        I72     
assign (resi    8  and name HG1  ) (resi   68  and name HA   )  4.4  2.4  1.6
assign (resi    8  and name HG1  ) (resi   72  and name HD1# )  4.3  3.8  3.2 !        I72     
assign (resi    8  and name HG1  ) (resi   72  and name HN   )  5.0  3.1  1.0
assign (resi    8  and name HG1  ) (resi   75  and name HD#  )  3.8  3.8  3.8 !        Y75     
assign (resi    8  and name HG1  ) (resi   75  and name HE#  )  5.8  7.3  3.2 !        Y75     
assign (resi    8  and name HG2  ) (resi   72  and name HA   )  2.6  0.9  0.9
assign (resi    8  and name HG2  ) (resi   72  and name HD1# )  2.7  2.4  2.4 !        I72     
assign (resi    8  and name HG2  ) (resi   72  and name HN   )  3.8  1.8  1.8
assign (resi    8  and name HG2  ) (resi   75  and name HB1  )  3.6  1.6  1.6
assign (resi    8  and name HG2  ) (resi   75  and name HB2  )  4.1  2.1  1.9
assign (resi    8  and name HD1  ) (resi    9  and name HN   )  3.6  3.6  2.4
assign (resi    8  and name HD1  ) (resi   72  and name HD1# )  4.6  4.1  2.9 !        I72     
assign (resi    8  and name HD1  ) (resi   75  and name HD#  )  2.9  4.9  5.1 !        Y75     
assign (resi    8  and name HD2  ) (resi   68  and name HE#  )  4.3  5.3  4.7 !        Y68     
assign (resi    8  and name HD2  ) (resi   72  and name HD1# )  2.5  2.3  2.3 !        I72     
assign (resi    8  and name HD2  ) (resi   75  and name HD#  )  3.7  3.7  3.7 !        Y75     
assign (resi    8  and name HD2  ) (resi   75  and name HE#  )  4.9  5.9  4.1 !        Y75     


! K9
assign (resi    9  and name HA   ) (resi    9  and name HB1  )  2.1  0.5  0.5
assign (resi    9  and name HA   ) (resi    9  and name HB2  )  3.1  1.2  1.2
assign (resi    9  and name HA   ) (resi    9  and name HG#  )  2.6  1.9  1.9 !        K9     
assign (resi    9  and name HA   ) (resi    9  and name HE#  )  3.6  2.6  2.6 !        K9     
assign (resi    9  and name HA   ) (resi    9  and name HN   )  2.1  2.1  3.9
assign (resi    9  and name HA   ) (resi   10  and name HA   )  4.0  2.0  2.0
assign (resi    9  and name HA   ) (resi   10  and name HN   )  2.1  0.5  0.5
assign (resi    9  and name HB1  ) (resi    9  and name HB2  )  1.8  0.4  0.4
assign (resi    9  and name HB1  ) (resi    9  and name HG#  )  2.8  2.0  2.0 !        K9     
assign (resi    9  and name HB1  ) (resi    9  and name HN   )  3.3  1.3  1.3
assign (resi    9  and name HB1  ) (resi   10  and name HG#  )  2.8  2.0  2.0 !        R10     
assign (resi    9  and name HB1  ) (resi   10  and name HN   )  2.8  1.0  1.0
assign (resi    9  and name HB2  ) (resi    9  and name HG#  )  2.9  2.0  2.0 !        K9     
assign (resi    9  and name HB2  ) (resi   10  and name HG#  )  2.4  3.4  4.6 !        R10     
assign (resi    9  and name HB2  ) (resi   10  and name HN   )  3.6  1.6  1.6
assign (resi    9  and name HG#  ) (resi    9  and name HN   )  2.9  2.0  2.0 ! K9     
assign (resi    9  and name HD#  ) (resi    9  and name HN   )  2.7  1.9  1.9 ! K9     
assign (resi    9  and name HE#  ) (resi    9  and name HN   )  4.8  3.9  2.2 ! K9     
assign (resi    9  and name HN   ) (resi   10  and name HG#  )  2.4  3.4  4.6 !        R10     
assign (resi    9  and name HN   ) (resi   10  and name HN   )  4.1  2.1  1.9
assign (resi    9  and name HN   ) (resi   68  and name HD#  )  3.3  3.3  3.3 !        Y68     
assign (resi    9  and name HN   ) (resi   68  and name HE#  )  3.3  4.4  4.4 !        Y68     


! R10
assign (resi   10  and name HA   ) (resi   10  and name HB#  )  2.5  1.8  1.8 !        R10    
assign (resi   10  and name HA   ) (resi   10  and name HG#  )  3.1  2.2  2.2 !        R10    
assign (resi   10  and name HA   ) (resi   10  and name HD#  )  3.7  2.7  2.7 !        R10    
assign (resi   10  and name HA   ) (resi   10  and name HN   )  2.8  1.0  1.0
assign (resi   10  and name HA   ) (resi   11  and name HG1  )  4.4  2.5  1.6
assign (resi   10  and name HA   ) (resi   11  and name HG2  )  4.7  2.7  1.3
assign (resi   10  and name HA   ) (resi   11  and name HD1  )  2.2  0.6  0.6
assign (resi   10  and name HA   ) (resi   11  and name HD2  )  2.4  0.7  0.7
assign (resi   10  and name HA   ) (resi   68  and name HD#  )  3.3  3.4  3.4 !        Y68    
assign (resi   10  and name HA   ) (resi   68  and name HE#  )  3.9  4.9  4.9 !        Y68    
assign (resi   10  and name HB#  ) (resi   10  and name HD#  )  3.3  3.4  3.4 ! R10    R10    
assign (resi   10  and name HB#  ) (resi   10  and name HN   )  2.4  1.7  1.7 ! R10    
assign (resi   10  and name HB#  ) (resi   11  and name HD1  )  4.2  3.2  2.8 ! R10    
assign (resi   10  and name HB#  ) (resi   11  and name HD2  )  3.5  2.6  2.6 ! R10    
assign (resi   10  and name HB#  ) (resi   68  and name HE#  )  4.3  6.3  5.7 ! R10    Y68    
assign (resi   10  and name HG#  ) (resi   10  and name HN   )  2.3  1.7  1.7 ! R10    
assign (resi   10  and name HG#  ) (resi   68  and name HE#  )  3.2  7.2  6.8 ! R10    Y68    
assign (resi   10  and name HD#  ) (resi   10  and name HN   )  4.7  3.7  2.3 ! R10    
assign (resi   10  and name HN   ) (resi   11  and name HD1  )  4.8  2.8  1.2
assign (resi   10  and name HN   ) (resi   11  and name HD2  )  5.0  3.2  1.0
assign (resi   10  and name HN   ) (resi   68  and name HD#  )  3.6  5.6  4.4 !        Y68    
assign (resi   10  and name HN   ) (resi   68  and name HE#  )  3.0  6.0  6.0 !        Y68    


! P11
assign (resi   11  and name HA   ) (resi   11  and name HB1  )  2.2  0.6  0.6
assign (resi   11  and name HA   ) (resi   11  and name HB2  )  2.7  0.9  0.9
assign (resi   11  and name HA   ) (resi   11  and name HG1  )  3.9  1.9  1.9
assign (resi   11  and name HA   ) (resi   11  and name HG2  )  3.4  1.4  1.4
assign (resi   11  and name HA   ) (resi   11  and name HD1  )  3.6  1.6  1.6
assign (resi   11  and name HA   ) (resi   11  and name HD2  )  3.7  1.7  1.7
assign (resi   11  and name HA   ) (resi   12  and name HB#  )  3.5  2.5  2.5 !        P12    
assign (resi   11  and name HA   ) (resi   12  and name HD1  )  2.0  0.5  0.5
assign (resi   11  and name HA   ) (resi   12  and name HD2  )  2.5  0.8  0.8
assign (resi   11  and name HA   ) (resi   64  and name HD2# )  4.9  4.5  2.6 !        L64    
assign (resi   11  and name HA   ) (resi   65  and name HA   )  4.5  2.5  1.5
assign (resi   11  and name HA   ) (resi   68  and name HD#  )  4.5  4.5  3.5 !        Y68    
assign (resi   11  and name HB2  ) (resi   68  and name HD#  )  3.8  3.8  3.8 !        Y68    
assign (resi   11  and name HG1  ) (resi   68  and name HE#  )  3.9  4.9  4.9 !        Y68    
assign (resi   11  and name HG2  ) (resi   68  and name HD#  )  3.2  3.3  3.3 !        Y68    
assign (resi   11  and name HD2  ) (resi   68  and name HD#  )  4.9  5.0  3.1 !        Y68    


! P12
assign (resi   12  and name HA   ) (resi   12  and name HB#  )  1.9  1.4  1.4 !        P12    
assign (resi   12  and name HA   ) (resi   12  and name HG#  )  2.8  2.0  2.0 !        P12    
assign (resi   12  and name HA   ) (resi   12  and name HD1  )  3.2  1.3  1.3
assign (resi   12  and name HA   ) (resi   12  and name HD2  )  3.4  1.4  1.4
assign (resi   12  and name HA   ) (resi   13  and name HN   )  2.3  0.7  0.7
assign (resi   12  and name HA   ) (resi   16  and name HB1  )  3.1  1.2  1.2
assign (resi   12  and name HA   ) (resi   16  and name HB2  )  3.4  1.4  1.4
assign (resi   12  and name HA   ) (resi   17  and name HD1# )  4.2  3.7  3.3 !        L17    
assign (resi   12  and name HA   ) (resi   17  and name HD2# )  4.8  4.3  2.7 !        L17    
assign (resi   12  and name HB#  ) (resi   12  and name HG#  )  2.1  2.5  2.5 ! P12    P12    
assign (resi   12  and name HB#  ) (resi   12  and name HD1  )  3.5  2.5  2.5 ! P12    
assign (resi   12  and name HB#  ) (resi   12  and name HD2  )  3.3  2.3  2.3 ! P12    
assign (resi   12  and name HB#  ) (resi   13  and name HN   )  2.4  1.7  1.7 ! P12    
assign (resi   12  and name HB#  ) (resi   14  and name HN   )  4.7  3.7  2.3 ! P12    
assign (resi   12  and name HB#  ) (resi   16  and name HB1  )  2.5  1.8  1.8 ! P12    
assign (resi   12  and name HB#  ) (resi   16  and name HB2  )  3.9  2.9  2.9 ! P12    
assign (resi   12  and name HB#  ) (resi   16  and name HN   )  4.2  3.2  2.8 ! P12    
assign (resi   12  and name HB#  ) (resi   17  and name HD1# )  3.1  3.7  3.7 ! P12    L17    
assign (resi   12  and name HB#  ) (resi   17  and name HD2# )  2.2  3.1  3.1 ! P12    L17    
assign (resi   12  and name HB#  ) (resi   62  and name HN   )  4.9  4.0  2.1 ! P12    
assign (resi   12  and name HG#  ) (resi   13  and name HN   )  4.4  3.4  2.6 ! P12    
assign (resi   12  and name HG#  ) (resi   16  and name HD#  )  3.6  4.6  4.6 ! P12    F16    
assign (resi   12  and name HG#  ) (resi   16  and name HE#  )  3.6  5.6  5.6 ! P12    F16    
assign (resi   12  and name HG#  ) (resi   17  and name HD1# )  2.4  3.2  3.2 ! P12    L17    
assign (resi   12  and name HG#  ) (resi   17  and name HD2# )  2.5  3.3  3.3 ! P12    L17    
assign (resi   12  and name HD1  ) (resi   13  and name HN   )  5.0  3.1  1.0
assign (resi   12  and name HD1  ) (resi   17  and name HD1# )  4.3  3.8  3.2 !        L17    
assign (resi   12  and name HD1  ) (resi   64  and name HD1# )  4.2  3.7  3.3 !        L64    
assign (resi   12  and name HD1  ) (resi   64  and name HD2# )  4.2  3.7  3.3 !        L64    
assign (resi   12  and name HD1  ) (resi   65  and name HA   )  5.0  3.1  1.0
assign (resi   12  and name HD2  ) (resi   17  and name HD1# )  4.3  3.9  3.2 !        L17    
assign (resi   12  and name HD2  ) (resi   64  and name HD2# )  3.7  3.2  3.2 !        L64    


! S13
assign (resi   13  and name HA   ) (resi   13  and name HB#  )  2.4  1.7  1.7 !        S13    
assign (resi   13  and name HA   ) (resi   13  and name HN   )  2.7  0.9  0.9
assign (resi   13  and name HA   ) (resi   14  and name HA   )  4.6  2.7  1.4
assign (resi   13  and name HA   ) (resi   14  and name HB#  )  2.7  2.4  2.4 !        A14    
assign (resi   13  and name HA   ) (resi   14  and name HN   )  2.3  0.6  0.6
assign (resi   13  and name HA   ) (resi   15  and name HN   )  3.3  1.4  1.4
assign (resi   13  and name HA   ) (resi   61  and name HB#  )  2.9  2.6  2.6 !        A61    
assign (resi   13  and name HB#  ) (resi   13  and name HN   )  3.0  2.1  2.1 ! S13    
assign (resi   13  and name HB#  ) (resi   14  and name HN   )  3.1  2.2  2.2 ! S13    
assign (resi   13  and name HN   ) (resi   14  and name HB#  )  4.8  4.3  2.7 !        A14    
assign (resi   13  and name HN   ) (resi   14  and name HN   )  3.5  1.5  1.5
assign (resi   13  and name HN   ) (resi   15  and name HN   )  4.4  2.4  1.6
assign (resi   13  and name HN   ) (resi   16  and name HB1  )  2.6  0.9  0.9
assign (resi   13  and name HN   ) (resi   16  and name HB2  )  3.3  1.3  1.3
assign (resi   13  and name HN   ) (resi   16  and name HN   )  3.3  1.4  1.4
assign (resi   13  and name HN   ) (resi   17  and name HD1# )  5.5  5.3  2.0 !        L17    
assign (resi   13  and name HN   ) (resi   17  and name HN   )  4.2  2.2  1.8


! A14
assign (resi   14  and name HA   ) (resi   14  and name HB#  )  1.8  1.9  1.9 !        A14    
assign (resi   14  and name HA   ) (resi   14  and name HN   )  2.5  0.8  0.8
assign (resi   14  and name HA   ) (resi   15  and name HN   )  3.4  1.5  1.5
assign (resi   14  and name HA   ) (resi   17  and name HB1  )  3.7  1.7  1.7
assign (resi   14  and name HA   ) (resi   46  and name HZ2  )  4.5  2.5  1.5
assign (resi   14  and name HA   ) (resi   46  and name HZ3  )  4.8  2.8  1.2
assign (resi   14  and name HA   ) (resi   57  and name HB1  )  2.5  0.8  0.8
assign (resi   14  and name HA   ) (resi   57  and name HB2  )  3.2  1.3  1.3
assign (resi   14  and name HA   ) (resi   57  and name HD#  )  3.7  3.8  3.8 !        Y57    
assign (resi   14  and name HB#  ) (resi   14  and name HN   )  2.4  2.2  2.2 ! A14    
assign (resi   14  and name HB#  ) (resi   15  and name HN   )  2.4  2.2  2.2 ! A14    
assign (resi   14  and name HB#  ) (resi   16  and name HN   )  4.0  3.5  3.5 ! A14    
assign (resi   14  and name HB#  ) (resi   17  and name HB1  )  4.3  3.8  3.2 ! A14    
assign (resi   14  and name HB#  ) (resi   17  and name HG   )  4.2  3.7  3.3 ! A14    
assign (resi   14  and name HB#  ) (resi   17  and name HD1# )  4.3  5.3  4.7 ! A14    L17    
assign (resi   14  and name HB#  ) (resi   17  and name HD2# )  4.2  5.3  4.8 ! A14    L17    
assign (resi   14  and name HB#  ) (resi   17  and name HN   )  4.4  3.9  3.1 ! A14    
assign (resi   14  and name HB#  ) (resi   46  and name HE1  )  3.5  3.0  3.0 ! A14    
assign (resi   14  and name HB#  ) (resi   46  and name HE3  )  4.2  3.7  3.3 ! A14    
assign (resi   14  and name HB#  ) (resi   46  and name HZ2  )  2.3  2.1  2.1 ! A14    
assign (resi   14  and name HB#  ) (resi   46  and name HZ3  )  2.6  4.1  4.9 ! A14    
assign (resi   14  and name HB#  ) (resi   46  and name HH2  )  3.2  2.7  2.7 ! A14    
assign (resi   14  and name HB#  ) (resi   54  and name HG1  )  3.7  3.2  3.2 ! A14    
assign (resi   14  and name HB#  ) (resi   54  and name HG2  )  3.8  3.3  3.3 ! A14    
assign (resi   14  and name HB#  ) (resi   57  and name HB1  )  3.4  3.0  3.0 ! A14    
assign (resi   14  and name HB#  ) (resi   57  and name HB2  )  3.3  2.9  2.9 ! A14    
assign (resi   14  and name HB#  ) (resi   57  and name HD#  )  3.6  7.1  5.9 ! A14    Y57    
assign (resi   14  and name HB#  ) (resi   57  and name HN   )  4.4  3.9  3.1 ! A14    
assign (resi   14  and name HB#  ) (resi   58  and name HA   )  2.5  2.3  2.3 ! A14    
assign (resi   14  and name HB#  ) (resi   58  and name HB1  )  2.8  4.3  4.7 ! A14    
assign (resi   14  and name HB#  ) (resi   58  and name HB2  )  3.8  3.3  3.3 ! A14    
assign (resi   14  and name HB#  ) (resi   58  and name HG#  )  3.5  4.0  4.0 ! A14    E58    
assign (resi   14  and name HB#  ) (resi   58  and name HN   )  3.3  2.8  2.8 ! A14    
assign (resi   14  and name HN   ) (resi   15  and name HB1  )  4.4  4.4  1.6
assign (resi   14  and name HN   ) (resi   15  and name HN   )  3.0  1.1  1.1
assign (resi   14  and name HN   ) (resi   16  and name HN   )  4.5  2.5  1.5
assign (resi   14  and name HN   ) (resi   17  and name HD2# )  3.6  3.2  3.2 !        L17    
assign (resi   14  and name HN   ) (resi   57  and name HB1  )  5.2  3.4  0.8
assign (resi   14  and name HN   ) (resi   58  and name HA   )  3.7  1.7  1.7
assign (resi   14  and name HN   ) (resi   61  and name HN   )  5.2  3.4  0.8


! F15
assign (resi   15  and name HA   ) (resi   15  and name HD#  )  3.6  3.6  3.6 !        F15    
assign (resi   15  and name HA   ) (resi   16  and name HN   )  3.2  1.3  1.3
assign (resi   15  and name HA   ) (resi   18  and name HN   )  3.3  1.3  1.3
assign (resi   15  and name HA   ) (resi   19  and name HN   )  4.0  2.0  2.0
assign (resi   15  and name HA   ) (resi   46  and name HZ2  )  3.1  1.2  1.2
assign (resi   15  and name HB1  ) (resi   15  and name HE#  )  4.3  5.3  4.7 !        F15    
assign (resi   15  and name HB1  ) (resi   15  and name HN   )  2.4  0.7  0.7
assign (resi   15  and name HB1  ) (resi   16  and name HN   )  2.8  2.8  3.2
assign (resi   15  and name HB1  ) (resi   46  and name HD1  )  4.8  2.9  1.2
assign (resi   15  and name HB1  ) (resi   46  and name HE1  )  4.4  2.4  1.6
assign (resi   15  and name HB2  ) (resi   15  and name HD#  )  4.1  4.1  3.9 !        F15    
assign (resi   15  and name HB2  ) (resi   15  and name HN   )  2.9  1.1  1.1
assign (resi   15  and name HB2  ) (resi   46  and name HD1  )  4.2  2.2  1.8
assign (resi   15  and name HB2  ) (resi   46  and name HE1  )  4.1  2.1  1.9
assign (resi   15  and name HB2  ) (resi   46  and name HZ2  )  4.6  2.7  1.4
assign (resi   15  and name HD#  ) (resi   15  and name HE#  )  2.2  5.6  5.6 ! F15    F15    
assign (resi   15  and name HD#  ) (resi   15  and name HZ   )  3.9  3.9  3.9 ! F15    
assign (resi   15  and name HD#  ) (resi   15  and name HN   )  4.5  4.6  3.5 ! F15    
assign (resi   15  and name HD#  ) (resi   16  and name HN   )  4.1  4.1  3.9 ! F15    
assign (resi   15  and name HD#  ) (resi   18  and name HB1  )  3.5  3.5  3.5 ! F15    
assign (resi   15  and name HD#  ) (resi   18  and name HB2  )  4.3  4.3  3.7 ! F15    
assign (resi   15  and name HD#  ) (resi   19  and name HB1  )  3.2  3.3  3.3 ! F15    
assign (resi   15  and name HD#  ) (resi   39  and name HA   )  4.9  5.0  3.1 ! F15    
assign (resi   15  and name HD#  ) (resi   42  and name HG   )  3.2  5.2  4.8 ! F15    
assign (resi   15  and name HD#  ) (resi   42  and name HD2# )  3.2  6.7  6.3 ! F15    L42    
assign (resi   15  and name HD#  ) (resi   43  and name HA2  )  3.5  3.5  3.5 ! F15    
assign (resi   15  and name HD#  ) (resi   46  and name HB1  )  4.1  4.1  3.9 ! F15    
assign (resi   15  and name HD#  ) (resi   46  and name HD1  )  2.7  2.9  2.9 ! F15    
assign (resi   15  and name HD#  ) (resi   46  and name HE1  )  4.4  4.5  3.6 ! F15    
assign (resi   15  and name HD#  ) (resi   46  and name HE3  )  3.1  5.1  4.9 ! F15    
assign (resi   15  and name HD#  ) (resi   46  and name HZ2  )  2.2  4.2  5.8 ! F15    
assign (resi   15  and name HD#  ) (resi   46  and name HN   )  5.0  5.2  3.0 ! F15    
assign (resi   15  and name HD#  ) (resi   47  and name HN   )  5.5  5.8  2.5 ! F15    
assign (resi   15  and name HE#  ) (resi   15  and name HZ   )  2.9  4.0  4.0 ! F15    
assign (resi   15  and name HE#  ) (resi   39  and name HA   )  4.7  5.8  4.3 ! F15    
assign (resi   15  and name HE#  ) (resi   43  and name HA2  )  3.0  4.2  4.2 ! F15    
assign (resi   15  and name HZ   ) (resi   19  and name HB1  )  4.7  2.8  1.3
assign (resi   15  and name HZ   ) (resi   35  and name HG2# )  3.7  5.2  3.8 !        I35    
assign (resi   15  and name HZ   ) (resi   39  and name HA   )  2.6  0.9  0.9
assign (resi   15  and name HZ   ) (resi   39  and name HB#  )  4.5  4.0  3.0 !        A39    
assign (resi   15  and name HZ   ) (resi   42  and name HB1  )  3.6  1.6  1.6
assign (resi   15  and name HZ   ) (resi   42  and name HG   )  4.4  2.4  1.6
assign (resi   15  and name HZ   ) (resi   42  and name HD1# )  5.3  5.0  2.2 !        L42    
assign (resi   15  and name HZ   ) (resi   42  and name HD2# )  4.0  3.5  3.5 !        L42    
assign (resi   15  and name HZ   ) (resi   43  and name HA1  )  3.9  1.9  1.9
assign (resi   15  and name HZ   ) (resi   43  and name HA2  )  3.8  1.8  1.8
assign (resi   15  and name HZ   ) (resi   43  and name HN   )  3.3  1.4  1.4
assign (resi   15  and name HN   ) (resi   16  and name HA   )  4.9  3.0  1.1
assign (resi   15  and name HN   ) (resi   16  and name HB1  )  5.2  3.4  0.8
assign (resi   15  and name HN   ) (resi   16  and name HB2  )  5.2  3.4  0.8
assign (resi   15  and name HN   ) (resi   16  and name HN   )  3.0  1.1  1.1
assign (resi   15  and name HN   ) (resi   46  and name HE1  )  4.5  2.5  1.5
assign (resi   15  and name HN   ) (resi   46  and name HZ2  )  4.5  2.5  1.5
assign (resi   15  and name HN   ) (resi   46  and name HH2  )  4.7  2.8  1.3


! F16
assign (resi   16  and name HA   ) (resi   16  and name HB1  )  2.8  1.0  1.0
assign (resi   16  and name HA   ) (resi   16  and name HB2  )  2.3  0.7  0.7
assign (resi   16  and name HA   ) (resi   16  and name HN   )  2.7  0.9  0.9
assign (resi   16  and name HA   ) (resi   17  and name HN   )  3.4  1.4  1.4
assign (resi   16  and name HA   ) (resi   19  and name HB1  )  2.7  0.9  0.9
assign (resi   16  and name HA   ) (resi   19  and name HB2  )  3.0  1.1  1.1
assign (resi   16  and name HA   ) (resi   19  and name HN   )  2.8  1.0  1.0
assign (resi   16  and name HA   ) (resi   20  and name HB#  )  2.6  3.6  4.4 !        S20    
assign (resi   16  and name HB1  ) (resi   16  and name HB2  )  1.8  0.4  0.4
assign (resi   16  and name HB1  ) (resi   16  and name HN   )  2.7  0.9  0.9
assign (resi   16  and name HB1  ) (resi   17  and name HN   )  2.7  0.9  0.9
assign (resi   16  and name HB2  ) (resi   16  and name HN   )  2.6  0.8  0.8
assign (resi   16  and name HB2  ) (resi   17  and name HN   )  4.1  2.1  1.9
assign (resi   16  and name HD#  ) (resi   16  and name HE#  )  3.0  6.2  6.2 ! F16    F16    
assign (resi   16  and name HD#  ) (resi   16  and name HN   )  4.4  4.5  3.6 ! F16    
assign (resi   16  and name HD#  ) (resi   19  and name HN   )  3.8  3.8  3.8 ! F16    
assign (resi   16  and name HE#  ) (resi   17  and name HD1# )  2.7  7.2  7.8 ! F16    L17    
assign (resi   16  and name HE#  ) (resi   17  and name HD2# )  2.5  7.0  8.0 ! F16    L17    
assign (resi   16  and name HE#  ) (resi   20  and name HA   )  2.5  5.5  6.5 ! F16    
assign (resi   16  and name HN   ) (resi   17  and name HB2  )  3.6  1.6  1.6
assign (resi   16  and name HN   ) (resi   17  and name HD1# )  4.5  4.0  3.0 !        L17    
assign (resi   16  and name HN   ) (resi   17  and name HD2# )  3.8  3.3  3.3 !        L17    
assign (resi   16  and name HN   ) (resi   17  and name HN   )  2.1  0.6  0.6


! L17
assign (resi   17  and name HA   ) (resi   17  and name HB1  )  2.6  0.8  0.8
assign (resi   17  and name HA   ) (resi   17  and name HB2  )  2.3  0.7  0.7
assign (resi   17  and name HA   ) (resi   17  and name HD1# )  2.3  2.1  2.1 !        L17    
assign (resi   17  and name HA   ) (resi   17  and name HD2# )  2.2  2.1  2.1 !        L17    
assign (resi   17  and name HA   ) (resi   17  and name HN   )  2.7  0.9  0.9
assign (resi   17  and name HA   ) (resi   18  and name HA   )  3.6  1.6  1.6
assign (resi   17  and name HA   ) (resi   18  and name HN   )  3.3  1.4  1.4
assign (resi   17  and name HA   ) (resi   20  and name HB#  )  2.9  2.0  2.0 !        S20    
assign (resi   17  and name HA   ) (resi   20  and name HN   )  3.2  1.3  1.3
assign (resi   17  and name HA   ) (resi   57  and name HD#  )  4.7  4.7  3.3 !        Y57    
assign (resi   17  and name HA   ) (resi   57  and name HE#  )  4.5  5.5  4.5 !        Y57    
assign (resi   17  and name HB1  ) (resi   17  and name HB2  )  2.1  0.5  0.5
assign (resi   17  and name HB1  ) (resi   17  and name HD1# )  2.6  2.3  2.3 !        L17    
assign (resi   17  and name HB1  ) (resi   17  and name HD2# )  3.2  2.8  2.8 !        L17    
assign (resi   17  and name HB1  ) (resi   17  and name HN   )  3.6  1.6  1.6
assign (resi   17  and name HB1  ) (resi   18  and name HN   )  3.4  1.4  1.4
assign (resi   17  and name HB1  ) (resi   20  and name HN   )  4.7  2.8  1.3
assign (resi   17  and name HB1  ) (resi   46  and name HH2  )  5.8  4.2  0.2
assign (resi   17  and name HB1  ) (resi   57  and name HA   )  3.8  1.8  1.8
assign (resi   17  and name HB1  ) (resi   57  and name HD#  )  2.5  2.8  2.8 !        Y57    
assign (resi   17  and name HB2  ) (resi   17  and name HD1# )  3.6  3.1  3.1 !        L17    
assign (resi   17  and name HB2  ) (resi   17  and name HD2# )  2.4  2.2  2.2 !        L17    
assign (resi   17  and name HB2  ) (resi   18  and name HN   )  2.8  1.0  1.0
assign (resi   17  and name HB2  ) (resi   46  and name HZ3  )  4.5  2.5  1.5
assign (resi   17  and name HB2  ) (resi   57  and name HE#  )  3.5  4.5  4.5 !        Y57    
assign (resi   17  and name HG   ) (resi   57  and name HD#  )  4.5  4.6  3.5 !        Y57    
assign (resi   17  and name HG   ) (resi   57  and name HE#  )  4.8  5.9  4.2 !        Y57    
assign (resi   17  and name HD1# ) (resi   17  and name HN   )  3.5  3.0  3.0 ! L17    
assign (resi   17  and name HD1# ) (resi   18  and name HN   )  4.5  4.0  3.0 ! L17    
assign (resi   17  and name HD1# ) (resi   20  and name HB#  )  2.9  3.6  3.6 ! L17    S20    
assign (resi   17  and name HD1# ) (resi   20  and name HN   )  4.9  4.5  2.6 ! L17    
assign (resi   17  and name HD1# ) (resi   57  and name HA   )  3.9  3.4  3.4 ! L17    
assign (resi   17  and name HD1# ) (resi   57  and name HB1  )  4.3  3.8  3.2 ! L17    
assign (resi   17  and name HD1# ) (resi   57  and name HB2  )  4.4  4.0  3.1 ! L17    
assign (resi   17  and name HD1# ) (resi   60  and name HD1  )  2.8  2.5  2.5 ! L17    
assign (resi   17  and name HD1# ) (resi   61  and name HB#  )  3.2  4.3  4.3 ! L17    A61    
assign (resi   17  and name HD1# ) (resi   61  and name HN   )  3.5  3.0  3.0 ! L17    
assign (resi   17  and name HD1# ) (resi   62  and name HN   )  5.3  5.0  2.2 ! L17    
assign (resi   17  and name HD2# ) (resi   17  and name HN   )  2.4  2.2  2.2 ! L17    
assign (resi   17  and name HD2# ) (resi   18  and name HN   )  4.2  3.7  3.3 ! L17    
assign (resi   17  and name HD2# ) (resi   20  and name HB#  )  3.0  5.5  5.5 ! L17    S20    
assign (resi   17  and name HD2# ) (resi   57  and name HA   )  3.7  3.2  3.2 ! L17    
assign (resi   17  and name HD2# ) (resi   57  and name HB1  )  3.7  3.2  3.2 ! L17    
assign (resi   17  and name HD2# ) (resi   57  and name HB2  )  4.9  4.5  2.6 ! L17    
assign (resi   17  and name HD2# ) (resi   60  and name HG#  )  3.3  3.9  3.9 ! L17    K60    
assign (resi   17  and name HD2# ) (resi   60  and name HD1  )  3.5  3.0  3.0 ! L17    
assign (resi   17  and name HD2# ) (resi   60  and name HN   )  4.2  3.7  3.3 ! L17    
assign (resi   17  and name HD2# ) (resi   61  and name HA   )  2.8  2.5  2.5 ! L17    
assign (resi   17  and name HD2# ) (resi   61  and name HB#  )  2.4  3.7  3.7 ! L17    A61    
assign (resi   17  and name HD2# ) (resi   61  and name HN   )  3.0  2.6  2.6 ! L17    
assign (resi   17  and name HD2# ) (resi   62  and name HN   )  5.0  4.6  2.5 ! L17    
assign (resi   17  and name HN   ) (resi   18  and name HB2  )  5.0  3.1  1.0
assign (resi   17  and name HN   ) (resi   18  and name HN   )  2.4  0.7  0.7
assign (resi   17  and name HN   ) (resi   19  and name HN   )  4.2  2.2  1.8
assign (resi   17  and name HN   ) (resi   46  and name HH2  )  4.6  2.7  1.4
assign (resi   17  and name HN   ) (resi   57  and name HD#  )  4.8  4.8  3.2 !        Y57    


! F18
assign (resi   18  and name HA   ) (resi   18  and name HB1  )  2.8  1.0  1.0
assign (resi   18  and name HA   ) (resi   18  and name HB2  )  2.6  0.8  0.8
assign (resi   18  and name HA   ) (resi   18  and name HN   )  2.7  0.9  0.9
assign (resi   18  and name HA   ) (resi   21  and name HB1  )  3.9  1.9  1.9
assign (resi   18  and name HA   ) (resi   21  and name HB2  )  4.4  2.4  1.6
assign (resi   18  and name HA   ) (resi   21  and name HN   )  4.2  2.2  1.8
assign (resi   18  and name HA   ) (resi   22  and name HD2  )  3.1  1.2  1.2
assign (resi   18  and name HA   ) (resi   22  and name HN   )  3.9  1.9  1.9
assign (resi   18  and name HA   ) (resi   46  and name HE3  )  5.1  3.2  0.9
assign (resi   18  and name HB1  ) (resi   18  and name HB2  )  2.3  0.7  0.7
assign (resi   18  and name HB1  ) (resi   18  and name HN   )  2.6  0.9  0.9
assign (resi   18  and name HB1  ) (resi   19  and name HA   )  3.5  1.5  1.5
assign (resi   18  and name HB1  ) (resi   46  and name HD1  )  4.7  2.8  1.3
assign (resi   18  and name HB1  ) (resi   46  and name HE3  )  3.9  1.9  1.9
assign (resi   18  and name HB1  ) (resi   46  and name HZ3  )  4.1  2.1  1.9
assign (resi   18  and name HB1  ) (resi   46  and name HH2  )  4.5  2.5  1.5
assign (resi   18  and name HB1  ) (resi   57  and name HD#  )  3.8  3.8  3.8 !        Y57    
assign (resi   18  and name HB1  ) (resi   57  and name HE#  )  4.1  5.1  4.9 !        Y57    
assign (resi   18  and name HB2  ) (resi   18  and name HD#  )  2.9  3.0  3.0 !        F18    
assign (resi   18  and name HB2  ) (resi   18  and name HN   )  2.8  1.0  1.0
assign (resi   18  and name HB2  ) (resi   46  and name HA   )  3.2  1.3  1.3
assign (resi   18  and name HB2  ) (resi   46  and name HE3  )  2.8  1.0  1.0
assign (resi   18  and name HB2  ) (resi   46  and name HH2  )  4.2  2.2  1.8
assign (resi   18  and name HB2  ) (resi   49  and name HB1  )  4.1  2.1  1.9
assign (resi   18  and name HB2  ) (resi   49  and name HB2  )  4.1  2.1  1.9
assign (resi   18  and name HB2  ) (resi   57  and name HE#  )  3.7  4.8  4.8 !        Y57    
assign (resi   18  and name HD#  ) (resi   21  and name HG#  )  3.7  4.7  4.7 ! F18    E21    
assign (resi   18  and name HD#  ) (resi   22  and name HD2  )  2.4  2.7  2.7 ! F18    
assign (resi   18  and name HD#  ) (resi   43  and name HA2  )  4.1  4.1  3.9 ! F18    
assign (resi   18  and name HD#  ) (resi   46  and name HB1  )  5.2  5.4  2.8 ! F18    
assign (resi   18  and name HD#  ) (resi   46  and name HE3  )  3.7  3.7  3.7 ! F18    
assign (resi   18  and name HD#  ) (resi   47  and name HN   )  4.7  4.7  3.3 ! F18    
assign (resi   18  and name HD#  ) (resi   57  and name HE#  )  3.7  6.7  6.7 ! F18    Y57    
assign (resi   18  and name HE#  ) (resi   18  and name HZ   )  3.0  4.1  4.1 ! F18    
assign (resi   18  and name HE#  ) (resi   45  and name HB#  )  2.1  4.6  4.6 ! F18    M45    
assign (resi   18  and name HE#  ) (resi   45  and name HG1  )  4.9  6.0  4.1 ! F18    
assign (resi   18  and name HE#  ) (resi   45  and name HN   )  5.1  6.3  3.9 ! F18    
assign (resi   18  and name HE#  ) (resi   46  and name HN   )  3.6  4.6  4.6 ! F18    
assign (resi   18  and name HZ   ) (resi   22  and name HD2  )  3.2  1.3  1.3
assign (resi   18  and name HZ   ) (resi   22  and name HE1  )  4.0  2.0  2.0
assign (resi   18  and name HZ   ) (resi   42  and name HN   )  5.1  3.3  0.9
assign (resi   18  and name HZ   ) (resi   48  and name HB2  )  4.6  2.6  1.4
assign (resi   18  and name HN   ) (resi   46  and name HZ3  )  4.5  2.5  1.5
assign (resi   18  and name HN   ) (resi   57  and name HD#  )  3.3  3.4  3.4 !        Y57    


! C19
assign (resi   19  and name HA   ) (resi   19  and name HB1  )  2.8  1.0  1.0
assign (resi   19  and name HA   ) (resi   19  and name HB2  )  2.8  1.0  1.0
assign (resi   19  and name HA   ) (resi   19  and name HN   )  2.7  0.9  0.9
assign (resi   19  and name HA   ) (resi   20  and name HA   )  3.8  1.8  1.8
assign (resi   19  and name HA   ) (resi   20  and name HB#  )  3.9  2.9  2.9 !        S20    
assign (resi   19  and name HA   ) (resi   20  and name HN   )  3.3  1.3  1.3
assign (resi   19  and name HA   ) (resi   23  and name HB#  )  3.5  2.6  2.6 !        R23    
assign (resi   19  and name HA   ) (resi   23  and name HN   )  3.9  1.9  1.9
assign (resi   19  and name HA   ) (resi   38  and name HG2# )  4.4  3.9  3.1 !        T38    
assign (resi   19  and name HA   ) (resi   42  and name HD1# )  3.2  2.7  2.7 !        L42    
assign (resi   19  and name HA   ) (resi   42  and name HD2# )  2.3  2.2  2.2 !        L42    
assign (resi   19  and name HB1  ) (resi   19  and name HB2  )  2.3  0.7  0.7
assign (resi   19  and name HB1  ) (resi   19  and name HN   )  2.9  1.1  1.1
assign (resi   19  and name HB1  ) (resi   20  and name HN   )  3.2  1.3  1.3
assign (resi   19  and name HB1  ) (resi   42  and name HD1# )  4.6  4.2  2.9 !        L42    
assign (resi   19  and name HB1  ) (resi   42  and name HD2# )  3.8  3.3  3.3 !        L42    
assign (resi   19  and name HB2  ) (resi   19  and name HN   )  2.9  1.1  1.1
assign (resi   19  and name HB2  ) (resi   20  and name HN   )  3.6  1.6  1.6
assign (resi   19  and name HB2  ) (resi   42  and name HD1# )  5.0  4.6  2.5 !        L42    
assign (resi   19  and name HB2  ) (resi   42  and name HD2# )  3.6  3.1  3.1 !        L42    
assign (resi   19  and name HN   ) (resi   20  and name HA   )  4.9  3.0  1.1
assign (resi   19  and name HN   ) (resi   20  and name HB#  )  4.9  4.0  2.1 !        S20    
assign (resi   19  and name HN   ) (resi   20  and name HN   )  3.0  1.1  1.1
assign (resi   19  and name HN   ) (resi   21  and name HN   )  4.9  2.9  1.1
assign (resi   19  and name HN   ) (resi   23  and name HB#  )  4.4  3.4  2.6 !        R23    
assign (resi   19  and name HN   ) (resi   42  and name HD2# )  4.7  4.3  2.8 !        L42    


! S20
assign (resi   20  and name HA   ) (resi   20  and name HB#  )  2.0  1.5  1.5 !        S20    
assign (resi   20  and name HA   ) (resi   20  and name HN   )  2.7  0.9  0.9
assign (resi   20  and name HA   ) (resi   22  and name HN   )  4.0  2.0  2.0
assign (resi   20  and name HA   ) (resi   23  and name HB#  )  2.7  1.9  1.9 !        R23    
assign (resi   20  and name HA   ) (resi   23  and name HN   )  3.2  1.3  1.3
assign (resi   20  and name HA   ) (resi   24  and name HD1  )  3.7  1.7  1.7
assign (resi   20  and name HA   ) (resi   24  and name HD2  )  4.2  2.2  1.8
assign (resi   20  and name HB#  ) (resi   20  and name HN   )  2.6  1.8  1.8 ! S20    
assign (resi   20  and name HB#  ) (resi   21  and name HN   )  3.0  2.2  2.2 ! S20    
assign (resi   20  and name HB#  ) (resi   22  and name HN   )  4.6  3.6  2.4 ! S20    
assign (resi   20  and name HN   ) (resi   21  and name HN   )  2.9  1.0  1.0
assign (resi   20  and name HN   ) (resi   22  and name HN   )  4.3  2.3  1.7
assign (resi   20  and name HN   ) (resi   23  and name HB#  )  3.1  4.1  3.9 !        R23    
assign (resi   20  and name HN   ) (resi   23  and name HE   )  3.6  3.6  2.4


! E21
assign (resi   21  and name HA   ) (resi   21  and name HB1  )  2.2  0.6  0.6
assign (resi   21  and name HA   ) (resi   21  and name HB2  )  2.3  0.7  0.7
assign (resi   21  and name HA   ) (resi   21  and name HG#  )  4.3  3.3  2.7 !        E21    
assign (resi   21  and name HA   ) (resi   21  and name HN   )  2.9  1.0  1.0
assign (resi   21  and name HA   ) (resi   22  and name HD2  )  4.0  2.0  2.0
assign (resi   21  and name HA   ) (resi   22  and name HN   )  3.2  1.3  1.3
assign (resi   21  and name HB1  ) (resi   21  and name HB2  )  2.0  0.5  0.5
assign (resi   21  and name HB1  ) (resi   22  and name HD2  )  4.0  2.0  2.0
assign (resi   21  and name HB2  ) (resi   21  and name HN   )  3.2  1.3  1.3
assign (resi   21  and name HB2  ) (resi   22  and name HD2  )  3.7  1.7  1.7
assign (resi   21  and name HB2  ) (resi   22  and name HN   )  3.6  1.6  1.6
assign (resi   21  and name HG#  ) (resi   21  and name HN   )  3.2  2.3  2.3 ! E21    
assign (resi   21  and name HG#  ) (resi   46  and name HZ3  )  2.7  3.7  4.3 ! E21    
assign (resi   21  and name HG#  ) (resi   57  and name HD#  )  3.6  4.6  4.6 ! E21    Y57    
assign (resi   21  and name HG#  ) (resi   57  and name HE#  )  4.3  6.3  5.7 ! E21    Y57    
assign (resi   21  and name HN   ) (resi   22  and name HA   )  4.5  2.6  1.5
assign (resi   21  and name HN   ) (resi   22  and name HB1  )  5.5  3.7  0.5
assign (resi   21  and name HN   ) (resi   22  and name HN   )  2.5  0.8  0.8
assign (resi   21  and name HN   ) (resi   23  and name HN   )  4.7  2.7  1.3


! H22
assign (resi   22  and name HA   ) (resi   22  and name HE1  )  5.1  3.3  0.9
assign (resi   22  and name HA   ) (resi   22  and name HN   )  2.8  1.0  1.0
assign (resi   22  and name HA   ) (resi   23  and name HN   )  4.0  2.0  2.0
assign (resi   22  and name HA   ) (resi   25  and name HN   )  3.8  1.8  1.8
assign (resi   22  and name HB1  ) (resi   22  and name HD2  )  3.4  1.5  1.5
assign (resi   22  and name HB1  ) (resi   22  and name HE1  )  4.5  2.5  1.5
assign (resi   22  and name HB1  ) (resi   22  and name HN   )  3.5  1.5  1.5
assign (resi   22  and name HB1  ) (resi   23  and name HN   )  4.5  2.5  1.5
assign (resi   22  and name HB1  ) (resi   25  and name HB#  )  4.0  3.0  3.0 !        K25    
assign (resi   22  and name HB2  ) (resi   22  and name HD2  )  2.8  0.9  0.9
assign (resi   22  and name HB2  ) (resi   22  and name HE1  )  4.9  3.0  1.1
assign (resi   22  and name HB2  ) (resi   22  and name HN   )  2.6  0.9  0.9
assign (resi   22  and name HB2  ) (resi   23  and name HN   )  3.5  1.5  1.5
assign (resi   22  and name HB2  ) (resi   42  and name HA   )  5.1  3.3  0.9
assign (resi   22  and name HD2  ) (resi   22  and name HE1  )  4.8  2.8  1.2
assign (resi   22  and name HD2  ) (resi   42  and name HA   )  5.6  3.9  0.4
assign (resi   22  and name HD2  ) (resi   42  and name HG   )  4.2  2.2  1.8
assign (resi   22  and name HD2  ) (resi   42  and name HD2# )  2.7  4.2  4.8 !        L42    
assign (resi   22  and name HD2  ) (resi   46  and name HE3  )  4.6  2.7  1.4
assign (resi   22  and name HD2  ) (resi   57  and name HE#  )  2.8  5.8  6.2 !        Y57    
assign (resi   22  and name HE1  ) (resi   25  and name HD#  )  4.0  3.0  3.0 !        K25    
assign (resi   22  and name HN   ) (resi   23  and name HB#  )  3.7  2.7  2.7 !        R23    
assign (resi   22  and name HN   ) (resi   23  and name HN   )  2.4  0.7  0.7
assign (resi   22  and name HN   ) (resi   24  and name HD1  )  4.6  2.6  1.4
assign (resi   22  and name HN   ) (resi   24  and name HD2  )  3.9  1.9  1.9
assign (resi   22  and name HN   ) (resi   42  and name HD1# )  2.8  4.3  4.7 !        L42    


! R23
assign (resi   23  and name HA   ) (resi   23  and name HB#  )  2.5  1.8  1.8 !        R23    
assign (resi   23  and name HA   ) (resi   23  and name HD1  )  4.2  2.2  1.8
assign (resi   23  and name HA   ) (resi   23  and name HD2  )  4.4  2.5  1.6
assign (resi   23  and name HA   ) (resi   23  and name HN   )  2.9  1.1  1.1
assign (resi   23  and name HA   ) (resi   24  and name HD1  )  4.4  2.5  1.6
assign (resi   23  and name HA   ) (resi   24  and name HD2  )  3.9  1.9  1.9
assign (resi   23  and name HA   ) (resi   26  and name HB   )  2.7  0.9  0.9
assign (resi   23  and name HA   ) (resi   26  and name HG11 )  3.2  1.3  1.3
assign (resi   23  and name HA   ) (resi   26  and name HG12 )  3.1  1.2  1.2
assign (resi   23  and name HA   ) (resi   26  and name HG2# )  3.8  3.3  3.3 !        I26    
assign (resi   23  and name HA   ) (resi   26  and name HD1# )  3.5  3.0  3.0 !        I26    
assign (resi   23  and name HA   ) (resi   38  and name HG2# )  3.5  3.0  3.0 !        T38    
assign (resi   23  and name HB#  ) (resi   23  and name HN   )  2.5  1.8  1.8 ! R23    
assign (resi   23  and name HB#  ) (resi   38  and name HG2# )  3.3  3.9  3.9 ! R23    T38    
assign (resi   23  and name HG#  ) (resi   23  and name HN   )  4.9  4.1  2.1 ! R23    
assign (resi   23  and name HG#  ) (resi   38  and name HG2# )  2.8  3.5  3.5 ! R23    T38    
assign (resi   23  and name HD1  ) (resi   38  and name HG2# )  3.5  3.1  3.1 !        T38    
assign (resi   23  and name HD1  ) (resi   42  and name HD2# )  3.2  4.7  4.3 !        L42    
assign (resi   23  and name HD2  ) (resi   38  and name HG2# )  3.8  3.3  3.3 !        T38    
assign (resi   23  and name HN   ) (resi   24  and name HG2  )  5.4  3.6  0.6
assign (resi   23  and name HN   ) (resi   24  and name HD1  )  3.4  1.5  1.5
assign (resi   23  and name HN   ) (resi   24  and name HD2  )  3.1  1.2  1.2
assign (resi   23  and name HN   ) (resi   42  and name HD1# )  3.6  3.1  3.1 !        L42    
assign (resi   23  and name HN   ) (resi   42  and name HD2# )  3.7  3.2  3.2 !        L42    


! P24
assign (resi   24  and name HA   ) (resi   24  and name HB1  )  2.2  0.6  0.6
assign (resi   24  and name HA   ) (resi   24  and name HB2  )  2.6  0.8  0.8
assign (resi   24  and name HA   ) (resi   24  and name HG1  )  2.9  1.1  1.1
assign (resi   24  and name HA   ) (resi   24  and name HG2  )  3.5  1.6  1.6
assign (resi   24  and name HA   ) (resi   24  and name HD1  )  3.3  1.3  1.3
assign (resi   24  and name HA   ) (resi   24  and name HD2  )  3.5  1.5  1.5
assign (resi   24  and name HA   ) (resi   27  and name HB1  )  3.2  1.3  1.3
assign (resi   24  and name HA   ) (resi   27  and name HB2  )  2.2  0.6  0.6
assign (resi   24  and name HA   ) (resi   27  and name HG#  )  3.2  2.3  2.3 !        K27    
assign (resi   24  and name HA   ) (resi   27  and name HD#  )  2.4  1.7  1.7 !        K27    
assign (resi   24  and name HA   ) (resi   27  and name HE#  )  4.0  3.0  3.0 !        K27    
assign (resi   24  and name HA   ) (resi   27  and name HN   )  3.4  1.5  1.5
assign (resi   24  and name HB1  ) (resi   24  and name HB2  )  2.0  0.5  0.5
assign (resi   24  and name HB1  ) (resi   24  and name HG1  )  2.6  0.8  0.8
assign (resi   24  and name HB1  ) (resi   24  and name HG2  )  3.2  1.3  1.3
assign (resi   24  and name HB1  ) (resi   24  and name HD1  )  4.0  2.0  2.0
assign (resi   24  and name HB1  ) (resi   24  and name HD2  )  4.3  2.4  1.7
assign (resi   24  and name HB1  ) (resi   25  and name HN   )  3.9  1.9  1.9
assign (resi   24  and name HB2  ) (resi   24  and name HG1  )  3.2  1.3  1.3
assign (resi   24  and name HB2  ) (resi   24  and name HG2  )  2.6  0.8  0.8
assign (resi   24  and name HB2  ) (resi   24  and name HD1  )  4.3  2.3  1.7
assign (resi   24  and name HB2  ) (resi   24  and name HD2  )  3.8  1.8  1.8
assign (resi   24  and name HB2  ) (resi   25  and name HN   )  3.9  1.9  1.9
assign (resi   24  and name HD1  ) (resi   25  and name HN   )  4.3  2.4  1.7
assign (resi   24  and name HD2  ) (resi   25  and name HN   )  3.7  1.7  1.7


! K25
assign (resi   25  and name HA   ) (resi   25  and name HB#  )  2.1  1.6  1.6 !        K25    
assign (resi   25  and name HA   ) (resi   25  and name HG#  )  2.8  2.0  2.0 !        K25    
assign (resi   25  and name HA   ) (resi   25  and name HD#  )  3.3  2.4  2.4 !        K25    
assign (resi   25  and name HA   ) (resi   25  and name HN   )  3.4  1.4  1.4
assign (resi   25  and name HA   ) (resi   26  and name HA   )  3.7  1.7  1.7
assign (resi   25  and name HA   ) (resi   26  and name HN   )  3.4  1.5  1.5
assign (resi   25  and name HA   ) (resi   28  and name HB#  )  2.5  1.8  1.8 !        S28    
assign (resi   25  and name HB#  ) (resi   25  and name HG#  )  2.5  2.8  2.8 ! K25    K25    
assign (resi   25  and name HB#  ) (resi   25  and name HD#  )  2.6  2.8  2.8 ! K25    K25    
assign (resi   25  and name HB#  ) (resi   25  and name HE#  )  4.1  4.1  3.9 ! K25    K25    
assign (resi   25  and name HB#  ) (resi   25  and name HN   )  2.7  1.9  1.9 ! K25    
assign (resi   25  and name HB#  ) (resi   28  and name HN   )  4.2  3.2  2.8 ! K25    
assign (resi   25  and name HG#  ) (resi   25  and name HN   )  4.5  3.5  2.5 ! K25    
assign (resi   25  and name HG#  ) (resi   30  and name HD2  )  4.5  3.5  2.5 ! K25    
assign (resi   25  and name HD#  ) (resi   25  and name HN   )  5.2  4.4  1.8 ! K25    
assign (resi   25  and name HN   ) (resi   26  and name HN   )  2.7  0.9  0.9
assign (resi   25  and name HN   ) (resi   27  and name HN   )  4.8  2.8  1.2


! I26
assign (resi   26  and name HA   ) (resi   26  and name HB   )  2.7  0.9  0.9
assign (resi   26  and name HA   ) (resi   26  and name HG11 )  3.5  1.5  1.5
assign (resi   26  and name HA   ) (resi   26  and name HG12 )  3.0  1.1  1.1
assign (resi   26  and name HA   ) (resi   26  and name HG2# )  2.5  2.3  2.3 !        I26    
assign (resi   26  and name HA   ) (resi   26  and name HD1# )  2.8  2.5  2.5 !        I26    
assign (resi   26  and name HA   ) (resi   26  and name HN   )  2.7  0.9  0.9
assign (resi   26  and name HA   ) (resi   29  and name HB1  )  4.4  2.5  1.6
assign (resi   26  and name HA   ) (resi   29  and name HB2  )  3.1  1.2  1.2
assign (resi   26  and name HA   ) (resi   38  and name HG2# )  5.0  4.6  2.5 !        T38    
assign (resi   26  and name HA   ) (resi   42  and name HD1# )  4.9  4.5  2.6 !        L42    
assign (resi   26  and name HB   ) (resi   26  and name HG11 )  2.9  1.1  1.1
assign (resi   26  and name HB   ) (resi   26  and name HG12 )  2.7  0.9  0.9
assign (resi   26  and name HB   ) (resi   26  and name HG2# )  2.2  2.1  2.1 !        I26    
assign (resi   26  and name HB   ) (resi   26  and name HD1# )  3.1  2.7  2.7 !        I26    
assign (resi   26  and name HB   ) (resi   26  and name HN   )  2.4  0.7  0.7
assign (resi   26  and name HB   ) (resi   27  and name HG#  )  3.6  2.6  2.6 !        K27    
assign (resi   26  and name HB   ) (resi   27  and name HN   )  2.7  0.9  0.9
assign (resi   26  and name HB   ) (resi   30  and name HD2  )  3.8  1.8  1.8
assign (resi   26  and name HB   ) (resi   33  and name HG   )  4.5  2.5  1.5
assign (resi   26  and name HB   ) (resi   38  and name HB   )  3.4  1.5  1.5
assign (resi   26  and name HB   ) (resi   38  and name HG2# )  3.0  2.7  2.7 !        T38    
assign (resi   26  and name HB   ) (resi   42  and name HD1# )  3.7  3.2  3.2 !        L42    
assign (resi   26  and name HG11 ) (resi   26  and name HG2# )  2.6  2.3  2.3 !        I26    
assign (resi   26  and name HG11 ) (resi   26  and name HD1# )  2.5  2.3  2.3 !        I26    
assign (resi   26  and name HG11 ) (resi   26  and name HN   )  4.0  2.0  2.0
assign (resi   26  and name HG11 ) (resi   27  and name HN   )  5.2  3.4  0.8
assign (resi   26  and name HG11 ) (resi   42  and name HD2# )  2.6  4.1  4.9 !        L42    
assign (resi   26  and name HG12 ) (resi   26  and name HG2# )  3.1  2.7  2.7 !        I26    
assign (resi   26  and name HG12 ) (resi   26  and name HD1# )  2.4  2.2  2.2 !        I26    
assign (resi   26  and name HG12 ) (resi   26  and name HN   )  2.4  0.7  0.7
assign (resi   26  and name HG12 ) (resi   27  and name HN   )  4.1  2.1  1.9
assign (resi   26  and name HG12 ) (resi   30  and name HD2  )  4.5  2.6  1.5
assign (resi   26  and name HG12 ) (resi   33  and name HD1# )  4.3  3.8  3.2 !        L33    
assign (resi   26  and name HG12 ) (resi   38  and name HG2# )  3.9  3.4  3.4 !        T38    
assign (resi   26  and name HG2# ) (resi   26  and name HD1# )  2.4  3.7  3.7 ! I26    I26    
assign (resi   26  and name HG2# ) (resi   26  and name HN   )  4.0  3.5  3.5 ! I26    
assign (resi   26  and name HG2# ) (resi   27  and name HN   )  3.6  3.1  3.1 ! I26    
assign (resi   26  and name HG2# ) (resi   28  and name HN   )  5.1  4.7  2.4 ! I26    
assign (resi   26  and name HG2# ) (resi   30  and name HB1  )  4.0  3.5  3.5 ! I26    
assign (resi   26  and name HG2# ) (resi   30  and name HB2  )  3.1  2.7  2.7 ! I26    
assign (resi   26  and name HG2# ) (resi   30  and name HD2  )  2.3  2.2  2.2 ! I26    
assign (resi   26  and name HG2# ) (resi   30  and name HN   )  4.3  3.8  3.2 ! I26    
assign (resi   26  and name HG2# ) (resi   33  and name HD1# )  2.7  3.9  3.9 ! I26    L33    
assign (resi   26  and name HG2# ) (resi   33  and name HD2# )  2.9  4.0  4.0 ! I26    L33    
assign (resi   26  and name HG2# ) (resi   33  and name HN   )  5.7  5.6  1.8 ! I26    
assign (resi   26  and name HG2# ) (resi   37  and name HN   )  5.2  4.9  2.3 ! I26    
assign (resi   26  and name HG2# ) (resi   38  and name HA   )  4.0  3.5  3.5 ! I26    
assign (resi   26  and name HG2# ) (resi   38  and name HB   )  2.9  2.6  2.6 ! I26    
assign (resi   26  and name HG2# ) (resi   38  and name HG2# )  2.8  4.0  4.0 ! I26    T38    
assign (resi   26  and name HG2# ) (resi   41  and name HE2  )  2.8  4.3  4.7 ! I26    
assign (resi   26  and name HG2# ) (resi   42  and name HD1# )  2.9  5.9  6.1 ! I26    L42    
assign (resi   26  and name HG2# ) (resi   42  and name HN   )  4.9  4.5  2.6 ! I26    
assign (resi   26  and name HD1# ) (resi   26  and name HN   )  4.1  3.6  3.4 ! I26    
assign (resi   26  and name HD1# ) (resi   27  and name HN   )  5.2  4.9  2.3 ! I26    
assign (resi   26  and name HD1# ) (resi   30  and name HD2  )  3.4  2.9  2.9 ! I26    
assign (resi   26  and name HD1# ) (resi   30  and name HE1  )  4.7  4.2  2.8 ! I26    
assign (resi   26  and name HD1# ) (resi   30  and name HN   )  5.2  4.9  2.3 ! I26    
assign (resi   26  and name HD1# ) (resi   38  and name HG2# )  3.7  4.7  4.7 ! I26    T38    
assign (resi   26  and name HD1# ) (resi   41  and name HE2  )  3.4  2.9  2.9 ! I26    
assign (resi   26  and name HD1# ) (resi   42  and name HA   )  4.1  3.6  3.4 ! I26    
assign (resi   26  and name HN   ) (resi   27  and name HB1  )  5.0  3.2  1.0
assign (resi   26  and name HN   ) (resi   27  and name HN   )  2.4  0.7  0.7
assign (resi   26  and name HN   ) (resi   38  and name HG2# )  3.6  5.1  3.9 !        T38    


! K27
assign (resi   27  and name HA   ) (resi   27  and name HB1  )  2.1  0.5  0.5
assign (resi   27  and name HA   ) (resi   27  and name HG#  )  2.7  1.9  1.9 !        K27    
assign (resi   27  and name HA   ) (resi   27  and name HD#  )  3.2  2.3  2.3 !        K27    
assign (resi   27  and name HA   ) (resi   27  and name HE#  )  3.6  2.6  2.6 !        K27    
assign (resi   27  and name HA   ) (resi   27  and name HN   )  2.8  1.0  1.0
assign (resi   27  and name HA   ) (resi   28  and name HN   )  3.4  1.4  1.4
assign (resi   27  and name HA   ) (resi   30  and name HN   )  2.9  1.0  1.0
assign (resi   27  and name HA   ) (resi   31  and name HA   )  3.0  1.1  1.1
assign (resi   27  and name HA   ) (resi   33  and name HB#  )  2.6  1.9  1.9 !        L33    
assign (resi   27  and name HA   ) (resi   33  and name HD1# )  4.3  3.8  3.2 !        L33    
assign (resi   27  and name HA   ) (resi   38  and name HG2# )  4.2  3.7  3.3 !        T38    
assign (resi   27  and name HB1  ) (resi   27  and name HG#  )  2.8  2.0  2.0 !        K27    
assign (resi   27  and name HB1  ) (resi   27  and name HD#  )  3.0  2.1  2.1 !        K27    
assign (resi   27  and name HB1  ) (resi   27  and name HE#  )  3.4  2.5  2.5 !        K27    
assign (resi   27  and name HB1  ) (resi   31  and name HA   )  3.5  1.5  1.5
assign (resi   27  and name HB2  ) (resi   27  and name HN   )  2.3  0.6  0.6
assign (resi   27  and name HB2  ) (resi   28  and name HN   )  2.7  0.9  0.9
assign (resi   27  and name HG#  ) (resi   27  and name HN   )  3.1  2.2  2.2 ! K27    
assign (resi   27  and name HG#  ) (resi   28  and name HN   )  5.1  4.2  1.9 ! K27    
assign (resi   27  and name HG#  ) (resi   30  and name HD2  )  4.4  3.4  2.6 ! K27    
assign (resi   27  and name HG#  ) (resi   31  and name HA   )  4.1  3.1  2.9 ! K27    
assign (resi   27  and name HD#  ) (resi   27  and name HN   )  3.9  2.9  2.9 ! K27    
assign (resi   27  and name HD#  ) (resi   28  and name HN   )  3.3  4.3  3.7 ! K27    
assign (resi   27  and name HD#  ) (resi   38  and name HG2# )  2.9  5.4  5.6 ! K27    T38    
assign (resi   27  and name HE#  ) (resi   27  and name HN   )  3.6  2.6  2.6 ! K27    
assign (resi   27  and name HE#  ) (resi   31  and name HA   )  2.8  3.8  4.2 ! K27    
assign (resi   27  and name HE#  ) (resi   35  and name HD1# )  3.8  4.3  4.3 ! K27    I35    
assign (resi   27  and name HE#  ) (resi   38  and name HG2# )  4.2  4.7  4.3 ! K27    T38    
assign (resi   27  and name HN   ) (resi   28  and name HB#  )  3.7  2.8  2.8 !        S28    
assign (resi   27  and name HN   ) (resi   28  and name HN   )  2.7  0.9  0.9
assign (resi   27  and name HN   ) (resi   29  and name HN   )  3.9  1.9  1.9
assign (resi   27  and name HN   ) (resi   38  and name HG2# )  3.6  3.1  3.1 !        T38    


! S28
assign (resi   28  and name HA   ) (resi   28  and name HB#  )  2.3  1.6  1.6 !        S28    
assign (resi   28  and name HA   ) (resi   28  and name HN   )  2.7  0.9  0.9
assign (resi   28  and name HA   ) (resi   29  and name HN   )  3.6  1.6  1.6
assign (resi   28  and name HA   ) (resi   30  and name HN   )  4.2  2.2  1.8
assign (resi   28  and name HA   ) (resi   31  and name HA   )  3.9  1.9  1.9
assign (resi   28  and name HB#  ) (resi   28  and name HN   )  2.6  1.8  1.8 ! S28    
assign (resi   28  and name HB#  ) (resi   29  and name HN   )  3.1  2.2  2.2 ! S28    
assign (resi   28  and name HN   ) (resi   29  and name HG2  )  4.9  3.0  1.1
assign (resi   28  and name HN   ) (resi   30  and name HN   )  3.8  1.8  1.8


! E29
assign (resi   29  and name HA   ) (resi   29  and name HB1  )  2.3  0.6  0.6
assign (resi   29  and name HA   ) (resi   29  and name HB2  )  2.7  0.9  0.9
assign (resi   29  and name HA   ) (resi   29  and name HN   )  3.0  1.1  1.1
assign (resi   29  and name HA   ) (resi   30  and name HA   )  3.9  1.9  1.9
assign (resi   29  and name HA   ) (resi   30  and name HD2  )  4.7  2.8  1.3
assign (resi   29  and name HA   ) (resi   31  and name HD1  )  3.2  1.3  1.3
assign (resi   29  and name HB1  ) (resi   29  and name HB2  )  2.0  0.5  0.5
assign (resi   29  and name HB1  ) (resi   29  and name HG1  )  3.1  1.2  1.2
assign (resi   29  and name HB1  ) (resi   29  and name HG2  )  3.4  1.4  1.4
assign (resi   29  and name HB1  ) (resi   29  and name HN   )  3.9  1.9  1.9
assign (resi   29  and name HB1  ) (resi   30  and name HD2  )  3.4  1.4  1.4
assign (resi   29  and name HB1  ) (resi   30  and name HE1  )  4.0  2.0  2.0
assign (resi   29  and name HB1  ) (resi   30  and name HN   )  3.9  1.9  1.9
assign (resi   29  and name HB2  ) (resi   29  and name HG1  )  2.5  0.8  0.8
assign (resi   29  and name HB2  ) (resi   29  and name HG2  )  3.2  1.3  1.3
assign (resi   29  and name HB2  ) (resi   29  and name HN   )  2.6  0.9  0.9
assign (resi   29  and name HB2  ) (resi   30  and name HD2  )  2.4  0.7  0.7
assign (resi   29  and name HB2  ) (resi   30  and name HN   )  3.0  1.1  1.1
assign (resi   29  and name HG1  ) (resi   29  and name HN   )  3.7  1.7  1.7
assign (resi   29  and name HG1  ) (resi   30  and name HN   )  4.9  3.0  1.1
assign (resi   29  and name HG2  ) (resi   29  and name HN   )  3.1  1.2  1.2
assign (resi   29  and name HG2  ) (resi   30  and name HD2  )  4.8  2.9  1.2
assign (resi   29  and name HG2  ) (resi   30  and name HN   )  4.9  3.0  1.1
assign (resi   29  and name HN   ) (resi   30  and name HN   )  2.6  0.9  0.9
assign (resi   29  and name HN   ) (resi   31  and name HD1  )  4.5  2.5  1.5


! H30
assign (resi   30  and name HA   ) (resi   30  and name HB1  )  2.6  0.8  0.8
assign (resi   30  and name HA   ) (resi   30  and name HB2  )  2.8  1.0  1.0
assign (resi   30  and name HA   ) (resi   30  and name HD2  )  3.9  1.9  1.9
assign (resi   30  and name HA   ) (resi   30  and name HN   )  2.9  1.1  1.1
assign (resi   30  and name HA   ) (resi   31  and name HG#  )  4.3  3.3  2.7 !        P31    
assign (resi   30  and name HA   ) (resi   31  and name HD1  )  2.8  1.0  1.0
assign (resi   30  and name HA   ) (resi   31  and name HD2  )  2.2  2.2  3.8
assign (resi   30  and name HA   ) (resi   32  and name HN   )  4.3  2.3  1.7
assign (resi   30  and name HA   ) (resi   33  and name HD2# )  4.8  4.4  2.7 !        L33    
assign (resi   30  and name HA   ) (resi   33  and name HN   )  5.0  3.1  1.0
assign (resi   30  and name HB1  ) (resi   30  and name HD2  )  4.0  2.0  2.0
assign (resi   30  and name HB1  ) (resi   30  and name HN   )  3.5  1.6  1.6
assign (resi   30  and name HB1  ) (resi   33  and name HA   )  4.3  2.3  1.7
assign (resi   30  and name HB1  ) (resi   33  and name HD1# )  4.8  4.4  2.7 !        L33    
assign (resi   30  and name HB1  ) (resi   33  and name HD2# )  3.0  2.7  2.7 !        L33    
assign (resi   30  and name HB1  ) (resi   33  and name HN   )  4.5  2.6  1.5
assign (resi   30  and name HB2  ) (resi   30  and name HD2  )  2.7  0.9  0.9
assign (resi   30  and name HB2  ) (resi   30  and name HN   )  3.0  1.1  1.1
assign (resi   30  and name HB2  ) (resi   32  and name HN   )  5.1  3.3  0.9
assign (resi   30  and name HB2  ) (resi   33  and name HA   )  4.6  2.7  1.4
assign (resi   30  and name HB2  ) (resi   33  and name HD1# )  4.6  4.1  2.9 !        L33    
assign (resi   30  and name HB2  ) (resi   33  and name HD2# )  3.5  3.0  3.0 !        L33    
assign (resi   30  and name HB2  ) (resi   33  and name HN   )  4.3  2.4  1.7
assign (resi   30  and name HD2  ) (resi   30  and name HE1  )  4.8  2.9  1.2
assign (resi   30  and name HD2  ) (resi   30  and name HN   )  3.5  1.6  1.6
assign (resi   30  and name HD2  ) (resi   31  and name HD1  )  5.0  3.1  1.0
assign (resi   30  and name HD2  ) (resi   31  and name HD2  )  5.1  3.2  0.9
assign (resi   30  and name HD2  ) (resi   33  and name HD1# )  2.7  4.2  4.8 !        L33    
assign (resi   30  and name HD2  ) (resi   33  and name HD2# )  2.6  4.1  4.9 !        L33    
assign (resi   30  and name HD2  ) (resi   41  and name HD#  )  3.4  4.4  3.6 !        K41    
assign (resi   30  and name HE1  ) (resi   41  and name HD#  )  1.4  2.4  5.6 !        K41    
assign (resi   30  and name HN   ) (resi   31  and name HA   )  4.2  2.2  1.8
assign (resi   30  and name HN   ) (resi   31  and name HD1  )  3.5  1.6  1.6
assign (resi   30  and name HN   ) (resi   31  and name HD2  )  3.7  1.7  1.7
assign (resi   30  and name HN   ) (resi   33  and name HG   )  3.4  3.4  2.6
assign (resi   30  and name HN   ) (resi   33  and name HN   )  4.7  2.8  1.3


! P31
assign (resi   31  and name HA   ) (resi   31  and name HB1  )  2.2  0.6  0.6
assign (resi   31  and name HA   ) (resi   31  and name HB2  )  2.7  0.9  0.9
assign (resi   31  and name HA   ) (resi   31  and name HG#  )  3.1  2.2  2.2 !        P31    
assign (resi   31  and name HA   ) (resi   31  and name HD1  )  3.2  1.2  1.2
assign (resi   31  and name HA   ) (resi   31  and name HD2  )  3.5  1.5  1.5
assign (resi   31  and name HA   ) (resi   32  and name HN   )  2.7  0.9  0.9
assign (resi   31  and name HA   ) (resi   33  and name HN   )  3.9  1.9  1.9
assign (resi   31  and name HB1  ) (resi   31  and name HB2  )  1.9  0.5  0.5
assign (resi   31  and name HB1  ) (resi   31  and name HD1  )  3.8  1.8  1.8
assign (resi   31  and name HB1  ) (resi   31  and name HD2  )  4.2  2.2  1.8
assign (resi   31  and name HB1  ) (resi   32  and name HN   )  4.1  2.1  1.9
assign (resi   31  and name HB2  ) (resi   31  and name HD1  )  4.2  2.2  1.8
assign (resi   31  and name HB2  ) (resi   31  and name HD2  )  4.1  2.1  1.9
assign (resi   31  and name HB2  ) (resi   32  and name HN   )  3.3  1.4  1.4
assign (resi   31  and name HG#  ) (resi   32  and name HN   )  3.6  2.6  2.6 ! P31    
assign (resi   31  and name HD1  ) (resi   32  and name HN   )  4.1  2.1  1.9
assign (resi   31  and name HD2  ) (resi   32  and name HN   )  4.4  2.4  1.6


! G32
assign (resi   32  and name HA1  ) (resi   32  and name HA2  )  1.9  0.5  0.5
assign (resi   32  and name HA1  ) (resi   32  and name HN   )  2.9  1.1  1.1
assign (resi   32  and name HA1  ) (resi   33  and name HN   )  3.6  1.6  1.6
assign (resi   32  and name HA2  ) (resi   32  and name HN   )  2.8  1.0  1.0
assign (resi   32  and name HA2  ) (resi   33  and name HN   )  3.4  1.4  1.4
assign (resi   32  and name HN   ) (resi   33  and name HA   )  5.4  3.6  0.6
assign (resi   32  and name HN   ) (resi   33  and name HB#  )  4.8  3.8  2.2 !        L33    
assign (resi   32  and name HN   ) (resi   33  and name HN   )  2.9  1.0  1.0


! L33
assign (resi   33  and name HA   ) (resi   33  and name HB#  )  2.3  1.7  1.7 !        L33    
assign (resi   33  and name HA   ) (resi   33  and name HG   )  3.2  1.3  1.3
assign (resi   33  and name HA   ) (resi   33  and name HD1# )  2.4  2.2  2.2 !        L33    
assign (resi   33  and name HA   ) (resi   33  and name HD2# )  2.4  2.2  2.2 !        L33    
assign (resi   33  and name HA   ) (resi   33  and name HN   )  2.8  1.0  1.0
assign (resi   33  and name HA   ) (resi   34  and name HN   )  2.2  0.6  0.6
assign (resi   33  and name HA   ) (resi   37  and name HB1  )  5.4  3.7  0.6
assign (resi   33  and name HA   ) (resi   37  and name HB2  )  4.4  2.4  1.6
assign (resi   33  and name HA   ) (resi   38  and name HB   )  3.0  3.0  3.0
assign (resi   33  and name HB#  ) (resi   33  and name HD1# )  2.7  3.4  3.4 ! L33    L33    
assign (resi   33  and name HB#  ) (resi   33  and name HD2# )  2.9  3.6  3.6 ! L33    L33    
assign (resi   33  and name HB#  ) (resi   33  and name HN   )  2.4  1.7  1.7 ! L33    
assign (resi   33  and name HB#  ) (resi   34  and name HA   )  3.8  2.8  2.8 ! L33    
assign (resi   33  and name HB#  ) (resi   34  and name HN   )  4.1  3.1  2.9 ! L33    
assign (resi   33  and name HB#  ) (resi   38  and name HB   )  4.4  3.4  2.6 ! L33    
assign (resi   33  and name HB#  ) (resi   38  and name HG2# )  3.5  4.0  4.0 ! L33    T38    
assign (resi   33  and name HG   ) (resi   33  and name HD1# )  2.3  2.1  2.1 !        L33    
assign (resi   33  and name HG   ) (resi   33  and name HD2# )  2.3  2.2  2.2 !        L33    
assign (resi   33  and name HG   ) (resi   33  and name HN   )  4.0  2.0  2.0
assign (resi   33  and name HG   ) (resi   34  and name HN   )  4.6  2.7  1.4
assign (resi   33  and name HG   ) (resi   37  and name HB1  )  4.3  2.3  1.7
assign (resi   33  and name HG   ) (resi   37  and name HB2  )  4.0  2.0  2.0
assign (resi   33  and name HG   ) (resi   38  and name HG2# )  3.6  3.2  3.2 !        T38    
assign (resi   33  and name HD1# ) (resi   33  and name HD2# )  2.1  3.6  3.6 ! L33    L33    
assign (resi   33  and name HD1# ) (resi   33  and name HN   )  4.2  3.7  3.3 ! L33    
assign (resi   33  and name HD1# ) (resi   34  and name HB2  )  3.4  2.9  2.9 ! L33    
assign (resi   33  and name HD1# ) (resi   34  and name HN   )  3.4  3.0  3.0 ! L33    
assign (resi   33  and name HD1# ) (resi   35  and name HA   )  3.2  2.8  2.8 ! L33    
assign (resi   33  and name HD1# ) (resi   37  and name HA   )  4.5  4.0  3.0 ! L33    
assign (resi   33  and name HD1# ) (resi   37  and name HB1  )  3.9  3.4  3.4 ! L33    
assign (resi   33  and name HD1# ) (resi   37  and name HB2  )  2.6  2.3  2.3 ! L33    
assign (resi   33  and name HD1# ) (resi   38  and name HB   )  3.3  2.9  2.9 ! L33    
assign (resi   33  and name HD1# ) (resi   38  and name HG2# )  2.7  3.9  3.9 ! L33    T38    
assign (resi   33  and name HD1# ) (resi   41  and name HB#  )  2.6  5.1  5.9 ! L33    K41    
assign (resi   33  and name HD2# ) (resi   33  and name HN   )  4.2  3.7  3.3 ! L33    
assign (resi   33  and name HD2# ) (resi   34  and name HB1  )  4.7  4.3  2.8 ! L33    
assign (resi   33  and name HD2# ) (resi   34  and name HB2  )  4.9  4.5  2.6 ! L33    
assign (resi   33  and name HD2# ) (resi   34  and name HN   )  3.6  3.1  3.1 ! L33    
assign (resi   33  and name HD2# ) (resi   36  and name HA#  )  4.0  4.5  4.5 ! L33    G36    
assign (resi   33  and name HD2# ) (resi   37  and name HA   )  4.6  4.1  2.9 ! L33    
assign (resi   33  and name HD2# ) (resi   37  and name HB1  )  3.0  2.6  2.6 ! L33    
assign (resi   33  and name HD2# ) (resi   37  and name HB2  )  2.5  2.3  2.3 ! L33    
assign (resi   33  and name HD2# ) (resi   38  and name HB   )  4.6  4.1  2.9 ! L33    
assign (resi   33  and name HD2# ) (resi   38  and name HG2# )  2.5  5.5  6.5 ! L33    T38    
assign (resi   33  and name HD2# ) (resi   41  and name HB#  )  2.2  4.7  6.3 ! L33    K41    
assign (resi   33  and name HN   ) (resi   34  and name HN   )  4.7  2.8  1.3


! S34
assign (resi   34  and name HA   ) (resi   34  and name HB1  )  2.2  0.6  0.6
assign (resi   34  and name HA   ) (resi   34  and name HB2  )  2.2  0.6  0.6
assign (resi   34  and name HA   ) (resi   34  and name HN   )  3.1  1.2  1.2
assign (resi   34  and name HA   ) (resi   35  and name HA   )  3.6  1.6  1.6
assign (resi   34  and name HA   ) (resi   35  and name HB   )  4.4  2.4  1.6
assign (resi   34  and name HA   ) (resi   35  and name HG12 )  3.9  1.9  1.9
assign (resi   34  and name HA   ) (resi   35  and name HG2# )  4.5  4.1  3.0 !        I35    
assign (resi   34  and name HA   ) (resi   35  and name HD1# )  4.0  3.5  3.5 !        I35    
assign (resi   34  and name HA   ) (resi   35  and name HN   )  2.7  0.9  0.9
assign (resi   34  and name HA   ) (resi   36  and name HN   )  4.8  2.9  1.2
assign (resi   34  and name HA   ) (resi   37  and name HN   )  4.3  2.3  1.7
assign (resi   34  and name HB1  ) (resi   34  and name HB2  )  2.2  0.6  0.6
assign (resi   34  and name HB1  ) (resi   34  and name HN   )  2.3  0.6  0.6
assign (resi   34  and name HB1  ) (resi   35  and name HN   )  3.9  1.9  1.9
assign (resi   34  and name HB1  ) (resi   36  and name HN   )  4.5  2.6  1.5
assign (resi   34  and name HB1  ) (resi   37  and name HN   )  4.3  2.3  1.7
assign (resi   34  and name HB2  ) (resi   34  and name HN   )  3.6  1.6  1.6
assign (resi   34  and name HB2  ) (resi   35  and name HA   )  4.4  2.4  1.6
assign (resi   34  and name HB2  ) (resi   35  and name HG2# )  4.3  3.9  3.2 !        I35    
assign (resi   34  and name HB2  ) (resi   35  and name HN   )  3.1  1.2  1.2
assign (resi   34  and name HB2  ) (resi   36  and name HN   )  3.6  1.7  1.7
assign (resi   34  and name HB2  ) (resi   37  and name HN   )  4.6  2.6  1.4
assign (resi   34  and name HB2  ) (resi   38  and name HN   )  5.0  3.1  1.0
assign (resi   34  and name HN   ) (resi   35  and name HN   )  4.6  2.6  1.4
assign (resi   34  and name HN   ) (resi   37  and name HB1  )  4.9  3.0  1.1
assign (resi   34  and name HN   ) (resi   37  and name HB2  )  3.5  1.5  1.5
assign (resi   34  and name HN   ) (resi   37  and name HN   )  4.0  2.0  2.0
assign (resi   34  and name HN   ) (resi   38  and name HN   )  5.7  4.0  0.3


! I35
assign (resi   35  and name HA   ) (resi   35  and name HB   )  2.7  0.9  0.9
assign (resi   35  and name HA   ) (resi   35  and name HG11 )  3.2  1.3  1.3
assign (resi   35  and name HA   ) (resi   35  and name HG12 )  2.8  1.0  1.0
assign (resi   35  and name HA   ) (resi   35  and name HG2# )  2.6  2.3  2.3 !        I35    
assign (resi   35  and name HA   ) (resi   35  and name HD1# )  2.8  2.5  2.5 !        I35    
assign (resi   35  and name HA   ) (resi   35  and name HN   )  3.1  1.2  1.2
assign (resi   35  and name HA   ) (resi   38  and name HB   )  3.2  1.3  1.3
assign (resi   35  and name HA   ) (resi   38  and name HG2# )  3.0  2.6  2.6 !        T38    
assign (resi   35  and name HA   ) (resi   38  and name HN   )  3.5  1.5  1.5
assign (resi   35  and name HA   ) (resi   39  and name HA   )  4.2  2.2  1.8
assign (resi   35  and name HA   ) (resi   39  and name HN   )  3.6  1.6  1.6
assign (resi   35  and name HB   ) (resi   35  and name HG11 )  2.5  0.8  0.8
assign (resi   35  and name HB   ) (resi   35  and name HG12 )  2.8  1.0  1.0
assign (resi   35  and name HB   ) (resi   35  and name HG2# )  2.3  2.2  2.2 !        I35    
assign (resi   35  and name HB   ) (resi   35  and name HD1# )  3.0  2.6  2.6 !        I35    
assign (resi   35  and name HB   ) (resi   35  and name HN   )  2.7  0.9  0.9
assign (resi   35  and name HB   ) (resi   36  and name HA#  )  4.4  3.4  2.6 !        G36    
assign (resi   35  and name HB   ) (resi   36  and name HN   )  2.8  1.0  1.0
assign (resi   35  and name HG11 ) (resi   35  and name HG2# )  2.8  2.5  2.5 !        I35    
assign (resi   35  and name HG11 ) (resi   35  and name HD1# )  2.4  2.2  2.2 !        I35    
assign (resi   35  and name HG11 ) (resi   35  and name HN   )  3.6  1.6  1.6
assign (resi   35  and name HG11 ) (resi   36  and name HN   )  4.7  2.8  1.3
assign (resi   35  and name HG12 ) (resi   35  and name HG2# )  3.0  2.6  2.6 !        I35    
assign (resi   35  and name HG12 ) (resi   35  and name HD1# )  2.4  2.2  2.2 !        I35    
assign (resi   35  and name HG12 ) (resi   35  and name HN   )  3.1  1.2  1.2
assign (resi   35  and name HG12 ) (resi   36  and name HN   )  4.8  2.8  1.2
assign (resi   35  and name HG2# ) (resi   35  and name HN   )  3.9  3.4  3.4 ! I35    
assign (resi   35  and name HG2# ) (resi   36  and name HA#  )  3.5  4.0  4.0 ! I35    G36    
assign (resi   35  and name HG2# ) (resi   36  and name HN   )  3.4  2.9  2.9 ! I35    
assign (resi   35  and name HG2# ) (resi   38  and name HN   )  4.6  4.2  2.9 ! I35    
assign (resi   35  and name HG2# ) (resi   39  and name HB#  )  3.2  4.3  4.3 ! I35    A39    
assign (resi   35  and name HG2# ) (resi   39  and name HN   )  4.3  3.8  3.2 ! I35    
assign (resi   35  and name HD1# ) (resi   35  and name HN   )  3.4  2.9  2.9 ! I35    
assign (resi   35  and name HD1# ) (resi   36  and name HN   )  3.8  3.3  3.3 ! I35    
assign (resi   35  and name HD1# ) (resi   38  and name HG2# )  2.8  4.0  4.0 ! I35    T38    
assign (resi   35  and name HN   ) (resi   36  and name HN   )  3.2  1.2  1.2
assign (resi   35  and name HN   ) (resi   37  and name HN   )  4.7  2.8  1.3


! G36
assign (resi   36  and name HA#  ) (resi   36  and name HN   )  2.4  1.7  1.7 ! G36    
assign (resi   36  and name HA#  ) (resi   37  and name HA   )  3.9  2.9  2.9 ! G36    
assign (resi   36  and name HA#  ) (resi   37  and name HN   )  2.8  2.0  2.0 ! G36    
assign (resi   36  and name HA#  ) (resi   38  and name HN   )  4.1  3.1  2.9 ! G36    
assign (resi   36  and name HA#  ) (resi   39  and name HB#  )  2.9  3.6  3.6 ! G36    A39    
assign (resi   36  and name HA#  ) (resi   39  and name HN   )  3.6  2.6  2.6 ! G36    
assign (resi   36  and name HA#  ) (resi   40  and name HB2  )  4.1  3.1  2.9 ! G36    
assign (resi   36  and name HA#  ) (resi   40  and name HN   )  4.0  3.0  3.0 ! G36    
assign (resi   36  and name HN   ) (resi   37  and name HB2  )  4.8  2.9  1.2
assign (resi   36  and name HN   ) (resi   37  and name HN   )  2.8  1.0  1.0
assign (resi   36  and name HN   ) (resi   38  and name HN   )  4.3  2.3  1.7
assign (resi   36  and name HN   ) (resi   39  and name HB#  )  3.4  3.0  3.0 !        A39    


! D37
assign (resi   37  and name HA   ) (resi   37  and name HB1  )  2.3  0.7  0.7
assign (resi   37  and name HA   ) (resi   37  and name HB2  )  2.8  0.9  0.9
assign (resi   37  and name HA   ) (resi   37  and name HN   )  2.8  1.0  1.0
assign (resi   37  and name HA   ) (resi   38  and name HN   )  3.5  1.5  1.5
assign (resi   37  and name HA   ) (resi   39  and name HN   )  4.1  2.1  1.9
assign (resi   37  and name HA   ) (resi   40  and name HA   )  4.3  2.3  1.7
assign (resi   37  and name HA   ) (resi   40  and name HB2  )  2.5  0.8  0.8
assign (resi   37  and name HA   ) (resi   40  and name HG1  )  3.3  3.3  2.7
assign (resi   37  and name HA   ) (resi   40  and name HG2  )  4.6  2.7  1.4
assign (resi   37  and name HA   ) (resi   40  and name HD#  )  3.2  2.3  2.3 !        K40    
assign (resi   37  and name HA   ) (resi   40  and name HE#  )  3.5  2.5  2.5 !        K40    
assign (resi   37  and name HA   ) (resi   40  and name HN   )  3.0  1.1  1.1
assign (resi   37  and name HA   ) (resi   41  and name HN   )  3.9  1.9  1.9
assign (resi   37  and name HB1  ) (resi   37  and name HB2  )  1.9  0.4  0.4
assign (resi   37  and name HB1  ) (resi   37  and name HN   )  3.4  1.5  1.5
assign (resi   37  and name HB1  ) (resi   38  and name HN   )  4.1  2.1  1.9
assign (resi   37  and name HB1  ) (resi   39  and name HN   )  5.3  3.5  0.7
assign (resi   37  and name HB1  ) (resi   40  and name HN   )  4.9  3.0  1.1
assign (resi   37  and name HB1  ) (resi   41  and name HN   )  4.5  2.5  1.5
assign (resi   37  and name HB2  ) (resi   37  and name HN   )  2.3  0.7  0.7
assign (resi   37  and name HB2  ) (resi   38  and name HN   )  2.8  1.0  1.0
assign (resi   37  and name HB2  ) (resi   40  and name HN   )  5.0  3.1  1.0
assign (resi   37  and name HB2  ) (resi   41  and name HN   )  5.0  3.1  1.0
assign (resi   37  and name HN   ) (resi   38  and name HB   )  5.8  4.2  0.2
assign (resi   37  and name HN   ) (resi   38  and name HG2# )  5.2  4.9  2.3 !        T38    
assign (resi   37  and name HN   ) (resi   38  and name HN   )  2.6  0.9  0.9
assign (resi   37  and name HN   ) (resi   39  and name HN   )  3.8  1.8  1.8


! T38
assign (resi   38  and name HA   ) (resi   38  and name HB   )  2.5  0.8  0.8
assign (resi   38  and name HA   ) (resi   38  and name HG2# )  2.7  2.4  2.4 !        T38    
assign (resi   38  and name HA   ) (resi   38  and name HN   )  2.6  0.9  0.9
assign (resi   38  and name HA   ) (resi   39  and name HN   )  2.8  1.0  1.0
assign (resi   38  and name HB   ) (resi   38  and name HG2# )  2.4  2.2  2.2 !        T38    
assign (resi   38  and name HB   ) (resi   38  and name HN   )  2.9  1.1  1.1
assign (resi   38  and name HB   ) (resi   39  and name HN   )  3.7  1.7  1.7
assign (resi   38  and name HB   ) (resi   41  and name HB#  )  3.6  2.7  2.7 !        K41    
assign (resi   38  and name HB   ) (resi   42  and name HD1# )  3.5  3.0  3.0 !        L42    
assign (resi   38  and name HB   ) (resi   42  and name HN   )  4.4  2.5  1.6
assign (resi   38  and name HG2# ) (resi   38  and name HN   )  3.2  2.8  2.8 ! T38    
assign (resi   38  and name HG2# ) (resi   39  and name HA   )  3.6  3.1  3.1 ! T38    
assign (resi   38  and name HG2# ) (resi   39  and name HB#  )  3.8  4.8  4.8 ! T38    A39    
assign (resi   38  and name HG2# ) (resi   39  and name HN   )  3.3  2.9  2.9 ! T38    
assign (resi   38  and name HG2# ) (resi   41  and name HN   )  4.9  4.5  2.6 ! T38    
assign (resi   38  and name HG2# ) (resi   42  and name HB1  )  4.3  3.8  3.2 ! T38    
assign (resi   38  and name HG2# ) (resi   42  and name HG   )  3.8  5.3  3.7 ! T38    
assign (resi   38  and name HG2# ) (resi   42  and name HD1# )  3.1  4.2  4.2 ! T38    L42    
assign (resi   38  and name HG2# ) (resi   42  and name HD2# )  2.4  3.7  3.7 ! T38    L42    
assign (resi   38  and name HG2# ) (resi   42  and name HN   )  4.4  4.0  3.1 ! T38    
assign (resi   38  and name HN   ) (resi   39  and name HB#  )  4.0  3.5  3.5 !        A39    
assign (resi   38  and name HN   ) (resi   39  and name HN   )  2.6  0.9  0.9
assign (resi   38  and name HN   ) (resi   40  and name HN   )  4.1  2.1  1.9
assign (resi   38  and name HN   ) (resi   41  and name HB#  )  3.2  4.2  3.8 !        K41    
assign (resi   38  and name HN   ) (resi   42  and name HD1# )  3.1  4.6  4.4 !        L42    
assign (resi   38  and name HN   ) (resi   42  and name HD2# )  3.0  4.5  4.5 !        L42    


! A39
assign (resi   39  and name HA   ) (resi   39  and name HB#  )  2.0  2.0  2.0 !        A39    
assign (resi   39  and name HA   ) (resi   39  and name HN   )  2.8  1.0  1.0
assign (resi   39  and name HA   ) (resi   42  and name HB1  )  2.8  1.0  1.0
assign (resi   39  and name HA   ) (resi   42  and name HB2  )  2.7  0.9  0.9
assign (resi   39  and name HA   ) (resi   42  and name HD1# )  3.7  3.2  3.2 !        L42    
assign (resi   39  and name HA   ) (resi   42  and name HD2# )  2.5  2.3  2.3 !        L42    
assign (resi   39  and name HA   ) (resi   42  and name HN   )  3.6  1.6  1.6
assign (resi   39  and name HA   ) (resi   43  and name HA2  )  3.0  3.0  3.0
assign (resi   39  and name HB#  ) (resi   39  and name HN   )  2.3  2.2  2.2 ! A39    
assign (resi   39  and name HB#  ) (resi   40  and name HN   )  2.3  2.2  2.2 ! A39    
assign (resi   39  and name HB#  ) (resi   43  and name HN   )  4.5  4.0  3.0 ! A39    
assign (resi   39  and name HN   ) (resi   40  and name HB1  )  6.0  5.2  0.0
assign (resi   39  and name HN   ) (resi   40  and name HB2  )  4.4  2.4  1.6
assign (resi   39  and name HN   ) (resi   40  and name HD#  )  3.2  4.2  3.8 !        K40    
assign (resi   39  and name HN   ) (resi   40  and name HN   )  2.5  0.8  0.8
assign (resi   39  and name HN   ) (resi   41  and name HN   )  2.9  1.1  1.1
assign (resi   39  and name HN   ) (resi   42  and name HB2  )  4.2  2.2  1.8
assign (resi   39  and name HN   ) (resi   42  and name HD2# )  3.3  2.8  2.8 !        L42    


! K40
assign (resi   40  and name HA   ) (resi   40  and name HB2  )  2.6  0.9  0.9
assign (resi   40  and name HA   ) (resi   40  and name HG1  )  2.6  0.9  0.9
assign (resi   40  and name HA   ) (resi   40  and name HG2  )  2.7  0.9  0.9
assign (resi   40  and name HA   ) (resi   40  and name HE#  )  2.8  3.8  4.2 !        K40    
assign (resi   40  and name HA   ) (resi   40  and name HN   )  2.5  0.8  0.8
assign (resi   40  and name HA   ) (resi   41  and name HN   )  3.3  1.4  1.4
assign (resi   40  and name HA   ) (resi   44  and name HN   )  2.7  2.7  3.3
assign (resi   40  and name HB2  ) (resi   40  and name HE#  )  3.5  2.6  2.6 !        K40    
assign (resi   40  and name HE#  ) (resi   40  and name HN   )  5.0  4.1  2.0 ! K40    
assign (resi   40  and name HN   ) (resi   42  and name HN   )  3.0  1.1  1.1


! K41
assign (resi   41  and name HA   ) (resi   41  and name HB#  )  2.2  1.6  1.6 !        K41    
assign (resi   41  and name HA   ) (resi   41  and name HD#  )  3.6  2.6  2.6 !        K41    
assign (resi   41  and name HA   ) (resi   41  and name HE1  )  4.5  2.5  1.5
assign (resi   41  and name HA   ) (resi   41  and name HE2  )  3.8  1.8  1.8
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   )  3.5  1.6  1.6
assign (resi   41  and name HA   ) (resi   43  and name HN   )  4.0  2.0  2.0
assign (resi   41  and name HA   ) (resi   44  and name HB1  )  2.5  0.8  0.8
assign (resi   41  and name HA   ) (resi   44  and name HB2  )  2.8  1.0  1.0
assign (resi   41  and name HA   ) (resi   44  and name HN   )  3.1  1.2  1.2
assign (resi   41  and name HA   ) (resi   45  and name HN   )  4.1  2.1  1.9
assign (resi   41  and name HB#  ) (resi   41  and name HE2  )  3.4  2.4  2.4 ! K41    
assign (resi   41  and name HB#  ) (resi   41  and name HN   )  2.1  1.5  1.5 ! K41    
assign (resi   41  and name HB#  ) (resi   42  and name HA   )  3.2  2.3  2.3 ! K41    
assign (resi   41  and name HB#  ) (resi   42  and name HD2# )  3.6  4.1  4.1 ! K41    L42    
assign (resi   41  and name HB#  ) (resi   42  and name HN   )  2.6  1.9  1.9 ! K41    
assign (resi   41  and name HB#  ) (resi   44  and name HN   )  4.4  3.4  2.6 ! K41    
assign (resi   41  and name HB#  ) (resi   45  and name HN   )  4.3  3.3  2.7 ! K41    
assign (resi   41  and name HG#  ) (resi   41  and name HN   )  3.8  2.8  2.8 ! K41    
assign (resi   41  and name HG#  ) (resi   42  and name HD1# )  3.4  3.9  3.9 ! K41    L42    
assign (resi   41  and name HG#  ) (resi   42  and name HN   )  4.1  3.1  2.9 ! K41    
assign (resi   41  and name HG#  ) (resi   45  and name HN   )  4.5  3.5  2.5 ! K41    
assign (resi   41  and name HN   ) (resi   42  and name HD1# )  4.6  4.1  2.9 !        L42    
assign (resi   41  and name HN   ) (resi   42  and name HN   )  2.7  0.9  0.9
assign (resi   41  and name HN   ) (resi   43  and name HN   )  3.4  1.5  1.5


! L42
assign (resi   42  and name HA   ) (resi   42  and name HB1  )  2.6  0.8  0.8
assign (resi   42  and name HA   ) (resi   42  and name HB2  )  2.5  0.8  0.8
assign (resi   42  and name HA   ) (resi   42  and name HD1# )  2.4  2.2  2.2 !        L42    
assign (resi   42  and name HA   ) (resi   42  and name HD2# )  2.9  2.6  2.6 !        L42    
assign (resi   42  and name HA   ) (resi   42  and name HN   )  2.9  1.1  1.1
assign (resi   42  and name HA   ) (resi   43  and name HN   )  3.5  1.6  1.6
assign (resi   42  and name HA   ) (resi   45  and name HB#  )  3.0  2.1  2.1 !        M45    
assign (resi   42  and name HA   ) (resi   45  and name HG1  )  3.2  1.3  1.3
assign (resi   42  and name HA   ) (resi   45  and name HG2  )  4.1  2.1  1.9
assign (resi   42  and name HA   ) (resi   45  and name HN   )  3.2  1.3  1.3
assign (resi   42  and name HA   ) (resi   46  and name HN   )  4.0  2.0  2.0
assign (resi   42  and name HB1  ) (resi   42  and name HB2  )  2.1  0.6  0.6
assign (resi   42  and name HB1  ) (resi   42  and name HD1# )  3.5  3.1  3.1 !        L42    
assign (resi   42  and name HB1  ) (resi   42  and name HD2# )  2.9  2.5  2.5 !        L42    
assign (resi   42  and name HB1  ) (resi   42  and name HN   )  3.2  1.3  1.3
assign (resi   42  and name HB1  ) (resi   43  and name HN   )  2.7  0.9  0.9
assign (resi   42  and name HB2  ) (resi   42  and name HD1# )  3.0  2.6  2.6 !        L42    
assign (resi   42  and name HB2  ) (resi   42  and name HD2# )  2.9  2.6  2.6 !        L42    
assign (resi   42  and name HB2  ) (resi   42  and name HN   )  2.3  0.7  0.7
assign (resi   42  and name HB2  ) (resi   43  and name HN   )  3.3  1.4  1.4
assign (resi   42  and name HG   ) (resi   42  and name HD1# )  2.3  2.2  2.2 !        L42    
assign (resi   42  and name HG   ) (resi   42  and name HD2# )  2.3  2.1  2.1 !        L42    
assign (resi   42  and name HG   ) (resi   42  and name HN   )  5.0  3.1  1.0
assign (resi   42  and name HG   ) (resi   45  and name HN   )  5.3  3.5  0.7
assign (resi   42  and name HD1# ) (resi   42  and name HD2# )  1.9  3.4  3.4 ! L42    L42    
assign (resi   42  and name HD1# ) (resi   42  and name HN   )  3.3  2.9  2.9 ! L42    
assign (resi   42  and name HD1# ) (resi   43  and name HN   )  4.7  4.3  2.8 ! L42    
assign (resi   42  and name HD1# ) (resi   45  and name HE#  )  2.7  3.9  3.9 ! L42    M45    
assign (resi   42  and name HD1# ) (resi   45  and name HN   )  4.9  4.5  2.6 ! L42    
assign (resi   42  and name HD1# ) (resi   46  and name HB2  )  4.4  3.9  3.1 ! L42    
assign (resi   42  and name HD2# ) (resi   42  and name HN   )  4.0  3.5  3.5 ! L42    
assign (resi   42  and name HD2# ) (resi   43  and name HN   )  3.1  4.6  4.4 ! L42    
assign (resi   42  and name HD2# ) (resi   45  and name HE#  )  3.1  6.1  5.9 ! L42    M45    
assign (resi   42  and name HD2# ) (resi   46  and name HB1  )  3.1  4.6  4.4 ! L42    
assign (resi   42  and name HD2# ) (resi   46  and name HB2  )  2.8  4.3  4.7 ! L42    
assign (resi   42  and name HN   ) (resi   43  and name HA1  )  4.4  2.4  1.6
assign (resi   42  and name HN   ) (resi   43  and name HA2  )  5.3  3.5  0.7
assign (resi   42  and name HN   ) (resi   43  and name HN   )  2.7  0.9  0.9
assign (resi   42  and name HN   ) (resi   44  and name HN   )  3.9  1.9  1.9
assign (resi   42  and name HN   ) (resi   45  and name HB#  )  3.6  4.6  3.4 !        M45    
assign (resi   42  and name HN   ) (resi   45  and name HN   )  4.5  2.5  1.5


! G43
assign (resi   43  and name HA1  ) (resi   43  and name HA2  )  2.0  0.5  0.5
assign (resi   43  and name HA1  ) (resi   43  and name HN   )  2.3  0.7  0.7
assign (resi   43  and name HA1  ) (resi   46  and name HN   )  4.1  2.1  1.9
assign (resi   43  and name HA2  ) (resi   43  and name HN   )  2.9  1.1  1.1
assign (resi   43  and name HA2  ) (resi   44  and name HN   )  3.5  1.5  1.5
assign (resi   43  and name HA2  ) (resi   46  and name HB1  )  2.9  1.0  1.0
assign (resi   43  and name HA2  ) (resi   46  and name HB2  )  4.1  2.1  1.9
assign (resi   43  and name HA2  ) (resi   46  and name HD1  )  3.8  1.8  1.8
assign (resi   43  and name HA2  ) (resi   46  and name HE3  )  4.3  2.3  1.7
assign (resi   43  and name HN   ) (resi   44  and name HB2  )  4.9  3.0  1.1
assign (resi   43  and name HN   ) (resi   44  and name HN   )  2.6  0.9  0.9
assign (resi   43  and name HN   ) (resi   45  and name HN   )  4.2  2.2  1.8


! E44
assign (resi   44  and name HA   ) (resi   44  and name HB1  )  2.6  0.8  0.8
assign (resi   44  and name HA   ) (resi   44  and name HB2  )  2.7  0.9  0.9
assign (resi   44  and name HA   ) (resi   44  and name HG#  )  2.6  1.8  1.8 !        E44    
assign (resi   44  and name HA   ) (resi   44  and name HN   )  2.6  0.8  0.8
assign (resi   44  and name HA   ) (resi   47  and name HB#  )  2.2  1.6  1.6 !        S47    
assign (resi   44  and name HB1  ) (resi   44  and name HB2  )  2.1  0.5  0.5
assign (resi   44  and name HB1  ) (resi   44  and name HG#  )  3.0  2.1  2.1 !        E44    
assign (resi   44  and name HB1  ) (resi   44  and name HN   )  2.6  0.9  0.9
assign (resi   44  and name HB2  ) (resi   44  and name HG#  )  3.0  2.1  2.1 !        E44    
assign (resi   44  and name HB2  ) (resi   44  and name HN   )  2.5  0.8  0.8
assign (resi   44  and name HB2  ) (resi   45  and name HN   )  3.9  1.9  1.9
assign (resi   44  and name HG#  ) (resi   44  and name HN   )  3.5  2.5  2.5 ! E44    
assign (resi   44  and name HN   ) (resi   45  and name HG1  )  4.8  2.8  1.2
assign (resi   44  and name HN   ) (resi   45  and name HN   )  2.7  0.9  0.9
assign (resi   44  and name HN   ) (resi   46  and name HN   )  4.1  2.1  1.9


! M45
assign (resi   45  and name HA   ) (resi   45  and name HB#  )  3.0  2.1  2.1 !        M45    
assign (resi   45  and name HA   ) (resi   45  and name HN   )  2.7  0.9  0.9
assign (resi   45  and name HA   ) (resi   48  and name HB1  )  3.5  1.6  1.6
assign (resi   45  and name HA   ) (resi   49  and name HE21 )  4.4  2.4  1.6
assign (resi   45  and name HA   ) (resi   49  and name HE22 )  4.5  2.5  1.5
assign (resi   45  and name HB#  ) (resi   45  and name HG1  )  3.0  2.2  2.2 ! M45    
assign (resi   45  and name HB#  ) (resi   45  and name HG2  )  2.8  2.0  2.0 ! M45    
assign (resi   45  and name HB#  ) (resi   45  and name HN   )  2.6  1.9  1.9 ! M45    
assign (resi   45  and name HB#  ) (resi   46  and name HN   )  2.8  2.0  2.0 ! M45    
assign (resi   45  and name HB#  ) (resi   49  and name HG#  )  3.9  3.9  3.9 ! M45    Q49    
assign (resi   45  and name HB#  ) (resi   49  and name HE21 )  3.8  2.8  2.8 ! M45    
assign (resi   45  and name HB#  ) (resi   49  and name HE22 )  3.9  2.9  2.9 ! M45    
assign (resi   45  and name HG1  ) (resi   45  and name HN   )  2.4  0.7  0.7
assign (resi   45  and name HG1  ) (resi   49  and name HE21 )  5.5  3.8  0.5
assign (resi   45  and name HG2  ) (resi   45  and name HN   )  4.1  2.1  1.9
assign (resi   45  and name HE#  ) (resi   45  and name HN   )  3.7  3.2  3.2 ! M45    
assign (resi   45  and name HN   ) (resi   46  and name HA   )  5.1  3.3  0.9
assign (resi   45  and name HN   ) (resi   46  and name HB1  )  5.0  3.1  1.0
assign (resi   45  and name HN   ) (resi   46  and name HB2  )  5.5  3.8  0.5
assign (resi   45  and name HN   ) (resi   46  and name HN   )  2.8  1.0  1.0
assign (resi   45  and name HN   ) (resi   47  and name HN   )  4.3  2.3  1.7


! W46
assign (resi   46  and name HA   ) (resi   46  and name HB1  )  3.0  1.1  1.1
assign (resi   46  and name HA   ) (resi   46  and name HB2  )  2.5  0.8  0.8
assign (resi   46  and name HA   ) (resi   46  and name HE3  )  2.4  0.7  0.7
assign (resi   46  and name HA   ) (resi   46  and name HZ3  )  5.1  3.2  0.9
assign (resi   46  and name HA   ) (resi   46  and name HH2  )  5.0  3.2  1.0
assign (resi   46  and name HA   ) (resi   46  and name HN   )  3.0  1.1  1.1
assign (resi   46  and name HA   ) (resi   47  and name HN   )  3.5  1.5  1.5
assign (resi   46  and name HA   ) (resi   48  and name HN   )  4.2  2.2  1.8
assign (resi   46  and name HA   ) (resi   49  and name HA   )  4.4  2.5  1.6
assign (resi   46  and name HA   ) (resi   49  and name HB1  )  4.3  2.3  1.7
assign (resi   46  and name HA   ) (resi   49  and name HB2  )  3.6  1.6  1.6
assign (resi   46  and name HA   ) (resi   49  and name HG#  )  2.6  1.9  1.9 !        Q49    
assign (resi   46  and name HA   ) (resi   49  and name HE21 )  4.0  2.0  2.0
assign (resi   46  and name HA   ) (resi   49  and name HE22 )  5.0  3.1  1.0
assign (resi   46  and name HA   ) (resi   49  and name HN   )  3.5  1.5  1.5
assign (resi   46  and name HB1  ) (resi   46  and name HB2  )  1.5  0.3  0.7
assign (resi   46  and name HB1  ) (resi   46  and name HD1  )  2.4  0.7  0.7
assign (resi   46  and name HB1  ) (resi   46  and name HE1  )  4.6  2.7  1.4
assign (resi   46  and name HB1  ) (resi   46  and name HE3  )  4.5  2.5  1.5
assign (resi   46  and name HB1  ) (resi   46  and name HN   )  2.5  0.8  0.8
assign (resi   46  and name HB1  ) (resi   47  and name HN   )  2.6  0.9  0.9
assign (resi   46  and name HB1  ) (resi   48  and name HN   )  5.3  3.5  0.7
assign (resi   46  and name HB2  ) (resi   46  and name HD1  )  3.0  1.1  1.1
assign (resi   46  and name HB2  ) (resi   46  and name HE1  )  4.7  2.8  1.3
assign (resi   46  and name HB2  ) (resi   46  and name HE3  )  3.2  1.3  1.3
assign (resi   46  and name HB2  ) (resi   46  and name HN   )  2.7  0.9  0.9
assign (resi   46  and name HB2  ) (resi   47  and name HN   )  3.8  1.8  1.8
assign (resi   46  and name HB2  ) (resi   54  and name HD#  )  2.3  3.3  4.7 !        K54    
assign (resi   46  and name HD1  ) (resi   46  and name HE3  )  3.6  1.6  1.6
assign (resi   46  and name HD1  ) (resi   54  and name HG1  )  3.4  3.4  2.6
assign (resi   46  and name HE1  ) (resi   47  and name HA   )  4.4  2.4  1.6
assign (resi   46  and name HE1  ) (resi   54  and name HG1  )  4.0  2.0  2.0
assign (resi   46  and name HE1  ) (resi   54  and name HD#  )  4.3  3.3  2.7 !        K54    
assign (resi   46  and name HE3  ) (resi   46  and name HZ2  )  3.8  1.8  1.8
assign (resi   46  and name HE3  ) (resi   46  and name HZ3  )  2.6  0.9  0.9
assign (resi   46  and name HE3  ) (resi   46  and name HH2  )  4.5  2.6  1.5
assign (resi   46  and name HE3  ) (resi   46  and name HN   )  5.0  3.2  1.0
assign (resi   46  and name HE3  ) (resi   48  and name HN   )  4.4  2.5  1.6
assign (resi   46  and name HE3  ) (resi   49  and name HB1  )  4.5  2.6  1.5
assign (resi   46  and name HE3  ) (resi   49  and name HG#  )  3.1  2.2  2.2 !        Q49    
assign (resi   46  and name HE3  ) (resi   53  and name HB1  )  4.0  2.0  2.0
assign (resi   46  and name HE3  ) (resi   54  and name HG1  )  3.8  1.8  1.8
assign (resi   46  and name HE3  ) (resi   54  and name HG2  )  3.4  1.4  1.4
assign (resi   46  and name HE3  ) (resi   57  and name HD#  )  3.4  3.5  3.5 !        Y57    
assign (resi   46  and name HZ2  ) (resi   46  and name HZ3  )  3.5  1.5  1.5
assign (resi   46  and name HZ2  ) (resi   46  and name HH2  )  2.2  0.6  0.6
assign (resi   46  and name HZ2  ) (resi   54  and name HA   )  4.5  2.5  1.5
assign (resi   46  and name HZ2  ) (resi   54  and name HB2  )  4.3  2.3  1.7
assign (resi   46  and name HZ2  ) (resi   54  and name HG1  )  3.0  1.1  1.1
assign (resi   46  and name HZ2  ) (resi   54  and name HG2  )  4.0  2.0  2.0
assign (resi   46  and name HZ2  ) (resi   54  and name HD#  )  4.1  3.1  2.9 !        K54    
assign (resi   46  and name HZ2  ) (resi   57  and name HB1  )  5.1  3.3  0.9
assign (resi   46  and name HZ2  ) (resi   57  and name HB2  )  4.8  2.9  1.2
assign (resi   46  and name HZ2  ) (resi   58  and name HB1  )  4.2  2.2  1.8
assign (resi   46  and name HZ2  ) (resi   58  and name HB2  )  6.0  5.7  0.0
assign (resi   46  and name HZ2  ) (resi   58  and name HG#  )  4.1  3.1  2.9 !        E58    
assign (resi   46  and name HZ3  ) (resi   46  and name HH2  )  2.4  0.7  0.7
assign (resi   46  and name HZ3  ) (resi   49  and name HB2  )  4.2  2.2  1.8
assign (resi   46  and name HZ3  ) (resi   49  and name HG#  )  3.1  2.2  2.2 !        Q49    
assign (resi   46  and name HZ3  ) (resi   53  and name HB1  )  4.2  2.2  1.8
assign (resi   46  and name HZ3  ) (resi   54  and name HA   )  2.8  1.0  1.0
assign (resi   46  and name HZ3  ) (resi   54  and name HB1  )  5.0  3.1  1.0
assign (resi   46  and name HZ3  ) (resi   54  and name HB2  )  3.5  1.5  1.5
assign (resi   46  and name HZ3  ) (resi   54  and name HG1  )  4.3  2.3  1.7
assign (resi   46  and name HZ3  ) (resi   54  and name HG2  )  5.2  3.4  0.8
assign (resi   46  and name HZ3  ) (resi   56  and name HG#  )  5.6  4.9  1.4 !        P56    
assign (resi   46  and name HZ3  ) (resi   57  and name HB1  )  3.8  1.8  1.8
assign (resi   46  and name HZ3  ) (resi   57  and name HD#  )  2.5  2.8  2.8 !        Y57    
assign (resi   46  and name HZ3  ) (resi   57  and name HE#  )  3.5  4.5  4.5 !        Y57    
assign (resi   46  and name HH2  ) (resi   49  and name HG#  )  4.1  3.1  2.9 !        Q49    
assign (resi   46  and name HH2  ) (resi   53  and name HB1  )  4.7  2.7  1.3
assign (resi   46  and name HH2  ) (resi   54  and name HA   )  3.3  1.4  1.4
assign (resi   46  and name HH2  ) (resi   54  and name HB1  )  3.9  1.9  1.9
assign (resi   46  and name HH2  ) (resi   57  and name HB1  )  3.5  1.5  1.5
assign (resi   46  and name HH2  ) (resi   57  and name HB2  )  2.3  0.6  0.6
assign (resi   46  and name HH2  ) (resi   57  and name HD#  )  4.4  4.4  3.6 !        Y57    
assign (resi   46  and name HH2  ) (resi   58  and name HB1  )  4.6  2.6  1.4
assign (resi   46  and name HH2  ) (resi   58  and name HG#  )  3.8  2.8  2.8 !        E58    
assign (resi   46  and name HH2  ) (resi   58  and name HN   )  4.2  2.2  1.8
assign (resi   46  and name HN   ) (resi   47  and name HN   )  2.8  1.0  1.0
assign (resi   46  and name HN   ) (resi   48  and name HN   )  4.1  2.1  1.9
assign (resi   46  and name HN   ) (resi   49  and name HG#  )  4.6  3.7  2.4 !        Q49    
assign (resi   46  and name HN   ) (resi   49  and name HE22 )  2.8  2.8  3.2


! S47
assign (resi   47  and name HA   ) (resi   48  and name HA   )  3.5  1.6  1.6
assign (resi   47  and name HA   ) (resi   48  and name HN   )  3.2  1.3  1.3
assign (resi   47  and name HA   ) (resi   49  and name HN   )  3.8  1.8  1.8
assign (resi   47  and name HB#  ) (resi   47  and name HN   )  2.4  1.7  1.7 ! S47    
assign (resi   47  and name HB#  ) (resi   48  and name HN   )  3.2  2.3  2.3 ! S47    
assign (resi   47  and name HN   ) (resi   48  and name HB1  )  5.6  3.9  0.4
assign (resi   47  and name HN   ) (resi   48  and name HB2  )  4.8  2.9  1.2
assign (resi   47  and name HN   ) (resi   48  and name HG1  )  4.7  2.8  1.3
assign (resi   47  and name HN   ) (resi   48  and name HG2  )  4.3  2.3  1.7
assign (resi   47  and name HN   ) (resi   48  and name HN   )  2.6  0.9  0.9
assign (resi   47  and name HN   ) (resi   49  and name HN   )  4.5  2.5  1.5


! E48
assign (resi   48  and name HA   ) (resi   48  and name HB1  )  2.3  0.6  0.6
assign (resi   48  and name HA   ) (resi   48  and name HB2  )  2.7  0.9  0.9
assign (resi   48  and name HA   ) (resi   48  and name HG1  )  2.8  1.0  1.0
assign (resi   48  and name HA   ) (resi   48  and name HG2  )  2.6  0.8  0.8
assign (resi   48  and name HA   ) (resi   48  and name HN   )  2.9  1.0  1.0
assign (resi   48  and name HA   ) (resi   50  and name HN   )  2.6  2.6  3.4
assign (resi   48  and name HB1  ) (resi   48  and name HN   )  3.6  1.6  1.6
assign (resi   48  and name HB1  ) (resi   49  and name HE21 )  5.2  3.4  0.8
assign (resi   48  and name HB1  ) (resi   49  and name HE22 )  4.8  2.9  1.2
assign (resi   48  and name HB1  ) (resi   49  and name HN   )  4.1  2.1  1.9
assign (resi   48  and name HB2  ) (resi   48  and name HN   )  2.5  0.8  0.8
assign (resi   48  and name HB2  ) (resi   49  and name HN   )  3.3  1.4  1.4
assign (resi   48  and name HG1  ) (resi   48  and name HN   )  3.3  1.4  1.4
assign (resi   48  and name HG1  ) (resi   49  and name HN   )  5.0  3.1  1.0
assign (resi   48  and name HG2  ) (resi   48  and name HN   )  2.9  1.0  1.0
assign (resi   48  and name HG2  ) (resi   49  and name HN   )  4.8  2.9  1.2
assign (resi   48  and name HN   ) (resi   49  and name HB1  )  5.6  4.0  0.4
assign (resi   48  and name HN   ) (resi   49  and name HB2  )  5.1  3.3  0.9
assign (resi   48  and name HN   ) (resi   49  and name HE21 )  4.5  2.6  1.5
assign (resi   48  and name HN   ) (resi   49  and name HE22 )  4.6  2.7  1.4
assign (resi   48  and name HN   ) (resi   49  and name HN   )  2.6  0.9  0.9


! Q49
assign (resi   49  and name HA   ) (resi   49  and name HB1  )  2.4  0.7  0.7
assign (resi   49  and name HA   ) (resi   49  and name HB2  )  2.6  0.8  0.8
assign (resi   49  and name HA   ) (resi   49  and name HG#  )  2.9  2.1  2.1 !        Q49    
assign (resi   49  and name HA   ) (resi   49  and name HE21 )  4.0  2.0  2.0
assign (resi   49  and name HA   ) (resi   49  and name HE22 )  3.9  1.9  1.9
assign (resi   49  and name HA   ) (resi   49  and name HN   )  2.7  0.9  0.9
assign (resi   49  and name HA   ) (resi   52  and name HN   )  4.1  2.1  1.9
assign (resi   49  and name HA   ) (resi   53  and name HB1  )  3.8  1.8  1.8
assign (resi   49  and name HA   ) (resi   53  and name HB2  )  3.4  1.4  1.4
assign (resi   49  and name HA   ) (resi   54  and name HD#  )  2.6  3.6  4.4 !        K54    
assign (resi   49  and name HB1  ) (resi   49  and name HB2  )  2.2  0.6  0.6
assign (resi   49  and name HB1  ) (resi   49  and name HE21 )  5.6  4.0  0.4
assign (resi   49  and name HB1  ) (resi   49  and name HE22 )  5.2  3.3  0.8
assign (resi   49  and name HB1  ) (resi   49  and name HN   )  3.2  1.3  1.3
assign (resi   49  and name HB1  ) (resi   50  and name HN   )  3.8  1.8  1.8
assign (resi   49  and name HB1  ) (resi   52  and name HB1  )  2.8  2.8  3.2
assign (resi   49  and name HB1  ) (resi   53  and name HB1  )  4.2  2.2  1.8
assign (resi   49  and name HB1  ) (resi   53  and name HB2  )  3.1  1.2  1.2
assign (resi   49  and name HB1  ) (resi   54  and name HN   )  3.9  1.9  1.9
assign (resi   49  and name HB2  ) (resi   49  and name HN   )  2.7  0.9  0.9
assign (resi   49  and name HB2  ) (resi   50  and name HN   )  3.8  1.8  1.8
assign (resi   49  and name HB2  ) (resi   53  and name HB1  )  4.5  2.5  1.5
assign (resi   49  and name HB2  ) (resi   53  and name HB2  )  4.3  2.3  1.7
assign (resi   49  and name HB2  ) (resi   54  and name HG1  )  3.5  3.5  2.5
assign (resi   49  and name HB2  ) (resi   54  and name HN   )  4.1  2.1  1.9
assign (resi   49  and name HG#  ) (resi   49  and name HE21 )  3.0  2.2  2.2 ! Q49    
assign (resi   49  and name HG#  ) (resi   49  and name HE22 )  4.0  3.0  3.0 ! Q49    
assign (resi   49  and name HE21 ) (resi   49  and name HE22 )  1.7  0.3  0.5
assign (resi   49  and name HE21 ) (resi   49  and name HN   )  4.5  2.6  1.5
assign (resi   49  and name HE22 ) (resi   49  and name HN   )  3.8  1.8  1.8
assign (resi   49  and name HN   ) (resi   50  and name HN   )  4.8  2.9  1.2
assign (resi   49  and name HN   ) (resi   54  and name HB2  )  4.7  2.8  1.3
assign (resi   49  and name HN   ) (resi   54  and name HG2  )  5.0  3.2  1.0


! S50
assign (resi   50  and name HA   ) (resi   50  and name HB1  )  2.2  0.6  0.6
assign (resi   50  and name HA   ) (resi   50  and name HB2  )  2.0  0.5  0.5
assign (resi   50  and name HA   ) (resi   50  and name HN   )  3.2  1.2  1.2
assign (resi   50  and name HA   ) (resi   51  and name HB#  )  4.0  3.5  3.5 !        A51    
assign (resi   50  and name HA   ) (resi   54  and name HB1  )  3.5  1.5  1.5
assign (resi   50  and name HA   ) (resi   54  and name HG1  )  4.3  2.3  1.7
assign (resi   50  and name HB1  ) (resi   50  and name HB2  )  1.9  0.5  0.5
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   )  4.4  2.4  1.6
assign (resi   50  and name HB2  ) (resi   50  and name HN   )  3.5  1.6  1.6
assign (resi   50  and name HB2  ) (resi   51  and name HN   )  2.0  0.5  0.5
assign (resi   50  and name HN   ) (resi   51  and name HB#  )  5.7  5.6  1.8 !        A51    
assign (resi   50  and name HN   ) (resi   51  and name HN   )  5.2  3.3  0.8
assign (resi   50  and name HN   ) (resi   52  and name HN   )  5.0  3.1  1.0
assign (resi   50  and name HN   ) (resi   53  and name HN   )  3.7  1.7  1.7
assign (resi   50  and name HN   ) (resi   54  and name HN   )  4.4  2.4  1.6


! A51
assign (resi   51  and name HA   ) (resi   51  and name HB#  )  1.9  2.0  2.0 !        A51    
assign (resi   51  and name HA   ) (resi   51  and name HN   )  2.4  0.7  0.7
assign (resi   51  and name HA   ) (resi   52  and name HN   )  3.1  1.2  1.2
assign (resi   51  and name HA   ) (resi   54  and name HA   )  4.3  2.3  1.7
assign (resi   51  and name HA   ) (resi   54  and name HB1  )  2.4  0.7  0.7
assign (resi   51  and name HA   ) (resi   54  and name HB2  )  3.3  1.4  1.4
assign (resi   51  and name HA   ) (resi   54  and name HG1  )  4.1  2.1  1.9
assign (resi   51  and name HA   ) (resi   54  and name HG2  )  3.9  3.9  2.1
assign (resi   51  and name HA   ) (resi   54  and name HD#  )  2.6  3.6  4.4 !        K54    
assign (resi   51  and name HA   ) (resi   54  and name HN   )  3.6  1.6  1.6
assign (resi   51  and name HA   ) (resi   55  and name HA   )  4.3  2.3  1.7
assign (resi   51  and name HB#  ) (resi   51  and name HN   )  2.2  2.1  2.1 ! A51    
assign (resi   51  and name HB#  ) (resi   52  and name HA   )  3.5  3.0  3.0 ! A51    
assign (resi   51  and name HB#  ) (resi   52  and name HN   )  2.6  2.4  2.4 ! A51    
assign (resi   51  and name HB#  ) (resi   54  and name HN   )  5.0  4.6  2.5 ! A51    
assign (resi   51  and name HB#  ) (resi   55  and name HE21 )  4.9  4.5  2.6 ! A51    
assign (resi   51  and name HB#  ) (resi   55  and name HE22 )  5.5  5.2  2.0 ! A51    
assign (resi   51  and name HN   ) (resi   52  and name HB1  )  5.4  3.6  0.6
assign (resi   51  and name HN   ) (resi   52  and name HD#  )  3.3  4.3  3.7 !        K52    
assign (resi   51  and name HN   ) (resi   52  and name HN   )  2.7  0.9  0.9
assign (resi   51  and name HN   ) (resi   53  and name HN   )  4.7  2.8  1.3
assign (resi   51  and name HN   ) (resi   54  and name HN   )  5.1  3.2  0.9


! K52
assign (resi   52  and name HA   ) (resi   52  and name HB1  )  2.6  0.8  0.8
assign (resi   52  and name HA   ) (resi   52  and name HB2  )  2.1  0.6  0.6
assign (resi   52  and name HA   ) (resi   52  and name HG#  )  2.7  1.9  1.9 !        K52    
assign (resi   52  and name HA   ) (resi   52  and name HD#  )  3.1  2.2  2.2 !        K52    
assign (resi   52  and name HA   ) (resi   52  and name HE#  )  4.0  3.0  3.0 !        K52    
assign (resi   52  and name HA   ) (resi   52  and name HN   )  2.6  0.8  0.8
assign (resi   52  and name HA   ) (resi   53  and name HA   )  3.7  1.7  1.7
assign (resi   52  and name HA   ) (resi   53  and name HN   )  3.3  1.4  1.4
assign (resi   52  and name HA   ) (resi   54  and name HN   )  3.8  1.8  1.8
assign (resi   52  and name HA   ) (resi   55  and name HN   )  3.7  1.7  1.7
assign (resi   52  and name HB1  ) (resi   52  and name HB2  )  1.7  0.3  0.5
assign (resi   52  and name HB1  ) (resi   52  and name HG#  )  3.0  2.1  2.1 !        K52    
assign (resi   52  and name HB1  ) (resi   52  and name HD#  )  3.3  2.3  2.3 !        K52    
assign (resi   52  and name HB1  ) (resi   52  and name HN   )  2.6  0.8  0.8
assign (resi   52  and name HB2  ) (resi   52  and name HG#  )  3.0  2.1  2.1 !        K52    
assign (resi   52  and name HB2  ) (resi   52  and name HD#  )  2.6  1.8  1.8 !        K52    
assign (resi   52  and name HB2  ) (resi   52  and name HN   )  2.4  0.7  0.7
assign (resi   52  and name HB2  ) (resi   53  and name HN   )  4.1  2.1  1.9
assign (resi   52  and name HG#  ) (resi   53  and name HN   )  3.8  2.8  2.8 ! K52    
assign (resi   52  and name HG#  ) (resi   57  and name HE#  )  3.8  5.8  5.8 ! K52    Y57    
assign (resi   52  and name HN   ) (resi   53  and name HA   )  4.8  2.8  1.2
assign (resi   52  and name HN   ) (resi   53  and name HN   )  2.7  0.9  0.9
assign (resi   52  and name HN   ) (resi   54  and name HN   )  3.6  1.6  1.6
assign (resi   52  and name HN   ) (resi   55  and name HG#  )  5.0  4.2  2.0 !        Q55    
assign (resi   52  and name HN   ) (resi   55  and name HN   )  4.3  2.4  1.7


! D53
assign (resi   53  and name HA   ) (resi   53  and name HB1  )  2.4  0.7  0.7
assign (resi   53  and name HA   ) (resi   53  and name HB2  )  2.6  0.8  0.8
assign (resi   53  and name HA   ) (resi   53  and name HN   )  2.9  1.0  1.0
assign (resi   53  and name HA   ) (resi   54  and name HA   )  3.8  1.8  1.8
assign (resi   53  and name HA   ) (resi   54  and name HN   )  3.0  1.1  1.1
assign (resi   53  and name HA   ) (resi   56  and name HG#  )  3.1  2.2  2.2 !        P56    
assign (resi   53  and name HA   ) (resi   56  and name HD#  )  3.0  2.1  2.1 !        P56    
assign (resi   53  and name HB1  ) (resi   53  and name HB2  )  2.0  0.5  0.5
assign (resi   53  and name HB1  ) (resi   53  and name HN   )  3.4  1.4  1.4
assign (resi   53  and name HB1  ) (resi   54  and name HN   )  3.3  1.4  1.4
assign (resi   53  and name HB1  ) (resi   55  and name HN   )  5.5  3.7  0.5
assign (resi   53  and name HB1  ) (resi   57  and name HD#  )  2.9  4.9  5.1 !        Y57    
assign (resi   53  and name HB1  ) (resi   57  and name HE#  )  3.8  4.8  4.8 !        Y57    
assign (resi   53  and name HB2  ) (resi   53  and name HN   )  3.0  1.1  1.1
assign (resi   53  and name HB2  ) (resi   54  and name HN   )  3.5  1.6  1.6
assign (resi   53  and name HB2  ) (resi   57  and name HD#  )  3.8  3.8  3.8 !        Y57    
assign (resi   53  and name HN   ) (resi   54  and name HA   )  3.9  1.9  1.9
assign (resi   53  and name HN   ) (resi   54  and name HB1  )  3.5  1.6  1.6
assign (resi   53  and name HN   ) (resi   54  and name HN   )  2.5  0.8  0.8
assign (resi   53  and name HN   ) (resi   55  and name HG#  )  5.4  4.6  1.6 !        Q55    


! K54
assign (resi   54  and name HA   ) (resi   54  and name HB1  )  2.8  0.9  0.9
assign (resi   54  and name HA   ) (resi   54  and name HB2  )  2.4  0.7  0.7
assign (resi   54  and name HA   ) (resi   54  and name HG1  )  3.0  1.1  1.1
assign (resi   54  and name HA   ) (resi   54  and name HG2  )  3.1  1.2  1.2
assign (resi   54  and name HA   ) (resi   54  and name HD#  )  4.2  3.2  2.8 !        K54    
assign (resi   54  and name HA   ) (resi   54  and name HN   )  2.6  0.8  0.8
assign (resi   54  and name HA   ) (resi   56  and name HD#  )  3.9  2.9  2.9 !        P56    
assign (resi   54  and name HA   ) (resi   57  and name HB1  )  4.7  2.7  1.3
assign (resi   54  and name HA   ) (resi   57  and name HB2  )  3.7  1.7  1.7
assign (resi   54  and name HA   ) (resi   57  and name HN   )  3.3  1.3  1.3
assign (resi   54  and name HA   ) (resi   58  and name HN   )  3.6  1.6  1.6
assign (resi   54  and name HB1  ) (resi   54  and name HB2  )  1.6  0.3  0.6
assign (resi   54  and name HB1  ) (resi   54  and name HG1  )  3.8  1.8  1.8
assign (resi   54  and name HB1  ) (resi   54  and name HG2  )  3.1  1.2  1.2
assign (resi   54  and name HB1  ) (resi   54  and name HN   )  2.4  0.7  0.7
assign (resi   54  and name HB1  ) (resi   55  and name HA   )  3.5  1.5  1.5
assign (resi   54  and name HB1  ) (resi   55  and name HE21 )  4.3  2.3  1.7
assign (resi   54  and name HB1  ) (resi   55  and name HE22 )  4.5  2.6  1.5
assign (resi   54  and name HB1  ) (resi   55  and name HN   )  2.7  0.9  0.9
assign (resi   54  and name HB1  ) (resi   58  and name HG#  )  3.1  4.1  3.9 !        E58    
assign (resi   54  and name HB2  ) (resi   54  and name HG1  )  3.1  1.2  1.2
assign (resi   54  and name HB2  ) (resi   54  and name HG2  )  3.7  1.8  1.8
assign (resi   54  and name HB2  ) (resi   55  and name HA   )  4.7  2.7  1.3
assign (resi   54  and name HB2  ) (resi   55  and name HN   )  3.5  1.5  1.5
assign (resi   54  and name HB2  ) (resi   57  and name HD#  )  3.0  5.0  5.0 !        Y57    
assign (resi   54  and name HB2  ) (resi   58  and name HG#  )  3.1  4.1  3.9 !        E58    
assign (resi   54  and name HG1  ) (resi   54  and name HN   )  4.4  2.5  1.6
assign (resi   54  and name HG2  ) (resi   54  and name HN   )  3.3  1.4  1.4
assign (resi   54  and name HG2  ) (resi   57  and name HD#  )  3.6  5.6  4.4 !        Y57    
assign (resi   54  and name HN   ) (resi   55  and name HB2  )  5.9  4.3  0.1
assign (resi   54  and name HN   ) (resi   55  and name HG#  )  4.3  3.3  2.7 !        Q55    
assign (resi   54  and name HN   ) (resi   55  and name HN   )  2.0  0.5  0.5


! Q55
assign (resi   55  and name HA   ) (resi   55  and name HB1  )  2.4  0.7  0.7
assign (resi   55  and name HA   ) (resi   55  and name HB2  )  2.9  1.1  1.1
assign (resi   55  and name HA   ) (resi   55  and name HE21 )  4.5  2.6  1.5
assign (resi   55  and name HA   ) (resi   55  and name HE22 )  4.3  2.3  1.7
assign (resi   55  and name HA   ) (resi   55  and name HN   )  2.4  0.7  0.7
assign (resi   55  and name HA   ) (resi   56  and name HG#  )  4.9  4.0  2.1 !        P56    
assign (resi   55  and name HA   ) (resi   56  and name HD#  )  3.8  2.9  2.9 !        P56    
assign (resi   55  and name HA   ) (resi   58  and name HB1  )  4.2  2.2  1.8
assign (resi   55  and name HA   ) (resi   58  and name HB2  )  4.0  2.0  2.0
assign (resi   55  and name HA   ) (resi   58  and name HG#  )  2.7  1.9  1.9 !        E58    
assign (resi   55  and name HB1  ) (resi   55  and name HE21 )  3.4  1.5  1.5
assign (resi   55  and name HB1  ) (resi   55  and name HE22 )  3.4  1.4  1.4
assign (resi   55  and name HB1  ) (resi   55  and name HN   )  4.1  2.2  1.9
assign (resi   55  and name HB2  ) (resi   55  and name HE21 )  3.9  1.9  1.9
assign (resi   55  and name HB2  ) (resi   55  and name HE22 )  4.0  2.0  2.0
assign (resi   55  and name HB2  ) (resi   55  and name HN   )  3.0  1.2  1.2
assign (resi   55  and name HG#  ) (resi   55  and name HN   )  2.0  1.5  1.5 ! Q55    
assign (resi   55  and name HG#  ) (resi   57  and name HD#  )  4.8  5.9  4.2 ! Q55    Y57    
assign (resi   55  and name HE21 ) (resi   55  and name HN   )  4.5  2.6  1.5
assign (resi   55  and name HN   ) (resi   56  and name HG#  )  4.9  4.0  2.1 !        P56    
assign (resi   55  and name HN   ) (resi   56  and name HD#  )  2.3  1.6  1.6 !        P56    
assign (resi   55  and name HN   ) (resi   57  and name HN   )  4.8  2.8  1.2


! P56
assign (resi   56  and name HA   ) (resi   56  and name HB1  )  2.1  0.6  0.6
assign (resi   56  and name HA   ) (resi   56  and name HB2  )  2.7  0.9  0.9
assign (resi   56  and name HA   ) (resi   56  and name HG#  )  3.0  2.1  2.1 !        P56    
assign (resi   56  and name HA   ) (resi   56  and name HD#  )  3.0  2.1  2.1 !        P56    
assign (resi   56  and name HA   ) (resi   59  and name HB1  )  3.7  1.7  1.7
assign (resi   56  and name HA   ) (resi   59  and name HB2  )  2.2  0.6  0.6
assign (resi   56  and name HA   ) (resi   59  and name HN   )  3.2  1.3  1.3
assign (resi   56  and name HA   ) (resi   60  and name HN   )  4.1  2.1  1.9
assign (resi   56  and name HB1  ) (resi   56  and name HB2  )  2.0  0.5  0.5
assign (resi   56  and name HB1  ) (resi   56  and name HG#  )  2.4  1.7  1.7 !        P56    
assign (resi   56  and name HB1  ) (resi   56  and name HD#  )  3.3  2.4  2.4 !        P56    
assign (resi   56  and name HB1  ) (resi   57  and name HN   )  4.3  2.3  1.7
assign (resi   56  and name HB2  ) (resi   56  and name HG#  )  2.6  1.8  1.8 !        P56    
assign (resi   56  and name HB2  ) (resi   56  and name HD#  )  3.9  2.9  2.9 !        P56    
assign (resi   56  and name HB2  ) (resi   57  and name HA   )  3.7  1.7  1.7
assign (resi   56  and name HB2  ) (resi   57  and name HN   )  3.2  1.3  1.3
assign (resi   56  and name HG#  ) (resi   57  and name HE#  )  3.8  5.8  5.8 ! P56    Y57    
assign (resi   56  and name HG#  ) (resi   57  and name HN   )  3.1  2.2  2.2 ! P56    
assign (resi   56  and name HD#  ) (resi   57  and name HE#  )  5.0  7.1  5.0 ! P56    Y57    
assign (resi   56  and name HD#  ) (resi   57  and name HN   )  2.8  2.0  2.0 ! P56    
assign (resi   56  and name HD#  ) (resi   58  and name HN   )  4.2  3.2  2.8 ! P56    


! Y57
assign (resi   57  and name HA   ) (resi   57  and name HB1  )  2.4  0.7  0.7
assign (resi   57  and name HA   ) (resi   57  and name HB2  )  2.8  1.0  1.0
assign (resi   57  and name HA   ) (resi   57  and name HE#  )  3.7  4.7  4.7 !        Y57    
assign (resi   57  and name HA   ) (resi   57  and name HN   )  2.7  0.9  0.9
assign (resi   57  and name HA   ) (resi   59  and name HB2  )  4.0  2.0  2.0
assign (resi   57  and name HA   ) (resi   60  and name HB#  )  2.8  2.0  2.0 !        K60    
assign (resi   57  and name HA   ) (resi   60  and name HG#  )  4.2  3.2  2.8 !        K60    
assign (resi   57  and name HA   ) (resi   60  and name HD1  )  3.6  1.6  1.6
assign (resi   57  and name HA   ) (resi   60  and name HN   )  3.2  1.3  1.3
assign (resi   57  and name HA   ) (resi   61  and name HB#  )  2.4  3.9  5.1 !        A61    
assign (resi   57  and name HB1  ) (resi   57  and name HB2  )  1.8  0.4  0.4
assign (resi   57  and name HB1  ) (resi   57  and name HD#  )  2.2  2.6  2.6 !        Y57    
assign (resi   57  and name HB1  ) (resi   57  and name HN   )  3.9  1.9  1.9
assign (resi   57  and name HB1  ) (resi   58  and name HN   )  3.5  1.6  1.6
assign (resi   57  and name HB1  ) (resi   61  and name HB#  )  4.2  3.7  3.3 !        A61    
assign (resi   57  and name HB2  ) (resi   57  and name HE#  )  4.0  5.0  5.0 !        Y57    
assign (resi   57  and name HB2  ) (resi   57  and name HN   )  2.4  0.7  0.7
assign (resi   57  and name HB2  ) (resi   58  and name HN   )  2.6  0.8  0.8
assign (resi   57  and name HB2  ) (resi   61  and name HB#  )  4.2  3.7  3.3 !        A61    
assign (resi   57  and name HD#  ) (resi   57  and name HE#  )  3.4  6.4  6.4 ! Y57    Y57    
assign (resi   57  and name HD#  ) (resi   57  and name HN   )  2.1  2.5  2.5 ! Y57    
assign (resi   57  and name HD#  ) (resi   58  and name HG#  )  2.6  5.6  6.4 ! Y57    E58    
assign (resi   57  and name HD#  ) (resi   58  and name HN   )  4.3  4.4  3.7 ! Y57    
assign (resi   57  and name HN   ) (resi   58  and name HG#  )  4.3  3.3  2.7 !        E58    
assign (resi   57  and name HN   ) (resi   58  and name HN   )  2.3  0.6  0.6
assign (resi   57  and name HN   ) (resi   59  and name HN   )  3.4  1.4  1.4
assign (resi   57  and name HN   ) (resi   60  and name HN   )  3.8  1.8  1.8


! E58
assign (resi   58  and name HA   ) (resi   58  and name HB1  )  2.3  0.7  0.7
assign (resi   58  and name HA   ) (resi   58  and name HB2  )  2.4  0.7  0.7
assign (resi   58  and name HA   ) (resi   58  and name HG#  )  3.2  2.2  2.2 !        E58    
assign (resi   58  and name HA   ) (resi   58  and name HN   )  2.6  0.9  0.9
assign (resi   58  and name HA   ) (resi   59  and name HN   )  3.3  1.3  1.3
assign (resi   58  and name HA   ) (resi   61  and name HB#  )  2.0  2.0  2.0 !        A61    
assign (resi   58  and name HA   ) (resi   61  and name HN   )  3.0  1.1  1.1
assign (resi   58  and name HA   ) (resi   62  and name HN   )  2.6  2.6  3.4
assign (resi   58  and name HB1  ) (resi   58  and name HB2  )  2.1  0.5  0.5
assign (resi   58  and name HB1  ) (resi   58  and name HG#  )  2.8  2.0  2.0 !        E58    
assign (resi   58  and name HB1  ) (resi   58  and name HN   )  2.9  1.1  1.1
assign (resi   58  and name HB1  ) (resi   59  and name HN   )  3.4  1.4  1.4
assign (resi   58  and name HB1  ) (resi   62  and name HN   )  4.5  2.5  1.5
assign (resi   58  and name HB2  ) (resi   58  and name HG#  )  2.8  2.0  2.0 !        E58    
assign (resi   58  and name HB2  ) (resi   58  and name HN   )  3.0  1.2  1.2
assign (resi   58  and name HB2  ) (resi   61  and name HN   )  4.6  2.7  1.4
assign (resi   58  and name HB2  ) (resi   62  and name HN   )  4.2  2.2  1.8
assign (resi   58  and name HG#  ) (resi   58  and name HN   )  2.5  1.8  1.8 ! E58    
assign (resi   58  and name HN   ) (resi   59  and name HN   )  2.7  0.9  0.9
assign (resi   58  and name HN   ) (resi   60  and name HN   )  3.9  1.9  1.9
assign (resi   58  and name HN   ) (resi   61  and name HN   )  4.0  2.0  2.0


! Q59
assign (resi   59  and name HA   ) (resi   59  and name HB1  )  2.3  0.7  0.7
assign (resi   59  and name HA   ) (resi   59  and name HB2  )  2.7  0.9  0.9
assign (resi   59  and name HA   ) (resi   59  and name HG1  )  3.2  1.3  1.3
assign (resi   59  and name HA   ) (resi   59  and name HG2  )  2.5  0.8  0.8
assign (resi   59  and name HA   ) (resi   59  and name HN   )  2.7  0.9  0.9
assign (resi   59  and name HA   ) (resi   60  and name HN   )  3.3  1.3  1.3
assign (resi   59  and name HA   ) (resi   62  and name HB#  )  2.3  2.1  2.1 !        A62    
assign (resi   59  and name HA   ) (resi   62  and name HN   )  3.0  1.1  1.1
assign (resi   59  and name HA   ) (resi   63  and name HN   )  2.7  2.7  3.3
assign (resi   59  and name HB1  ) (resi   59  and name HB2  )  1.8  0.4  0.4
assign (resi   59  and name HB1  ) (resi   59  and name HG1  )  3.3  1.4  1.4
assign (resi   59  and name HB1  ) (resi   59  and name HG2  )  3.1  1.2  1.2
assign (resi   59  and name HB1  ) (resi   59  and name HN   )  3.6  1.6  1.6
assign (resi   59  and name HB1  ) (resi   60  and name HN   )  3.6  1.7  1.7
assign (resi   59  and name HB1  ) (resi   62  and name HN   )  4.1  2.1  1.9
assign (resi   59  and name HB2  ) (resi   59  and name HG1  )  3.0  1.1  1.1
assign (resi   59  and name HB2  ) (resi   59  and name HG2  )  3.0  1.1  1.1
assign (resi   59  and name HB2  ) (resi   59  and name HN   )  2.4  0.7  0.7
assign (resi   59  and name HB2  ) (resi   60  and name HN   )  2.7  0.9  0.9
assign (resi   59  and name HB2  ) (resi   61  and name HN   )  4.7  2.7  1.3
assign (resi   59  and name HB2  ) (resi   63  and name HN   )  4.2  2.2  1.8
assign (resi   59  and name HG1  ) (resi   59  and name HN   )  3.0  1.2  1.2
assign (resi   59  and name HG1  ) (resi   60  and name HN   )  5.1  3.2  0.9
assign (resi   59  and name HG2  ) (resi   59  and name HN   )  3.0  1.1  1.1
assign (resi   59  and name HG2  ) (resi   60  and name HN   )  4.8  2.9  1.2
assign (resi   59  and name HE22 ) (resi   59  and name HN   )  3.6  1.7  1.7
assign (resi   59  and name HN   ) (resi   60  and name HB#  )  4.7  3.8  2.3 !        K60    
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   )  4.5  2.5  1.5
assign (resi   59  and name HN   ) (resi   62  and name HB#  )  2.8  4.3  4.7 !        A62    
assign (resi   59  and name HN   ) (resi   62  and name HN   )  4.5  2.6  1.5


! K60
assign (resi   60  and name HA   ) (resi   60  and name HB#  )  2.3  1.7  1.7 !        K60    
assign (resi   60  and name HA   ) (resi   60  and name HG#  )  2.9  2.0  2.0 !        K60    
assign (resi   60  and name HA   ) (resi   60  and name HE#  )  2.8  3.8  4.2 !        K60    
assign (resi   60  and name HA   ) (resi   60  and name HN   )  2.7  0.9  0.9
assign (resi   60  and name HA   ) (resi   61  and name HN   )  3.5  1.5  1.5
assign (resi   60  and name HA   ) (resi   63  and name HB#  )  3.0  2.2  2.2 !        K63    
assign (resi   60  and name HA   ) (resi   64  and name HN   )  3.8  1.8  1.8
assign (resi   60  and name HB#  ) (resi   60  and name HN   )  2.5  1.8  1.8 ! K60    
assign (resi   60  and name HB#  ) (resi   61  and name HN   )  2.7  1.9  1.9 ! K60    
assign (resi   60  and name HB#  ) (resi   63  and name HN   )  2.4  3.4  4.6 ! K60    
assign (resi   60  and name HG#  ) (resi   60  and name HN   )  4.2  3.2  2.8 ! K60    
assign (resi   60  and name HG#  ) (resi   61  and name HN   )  4.1  3.1  2.9 ! K60    
assign (resi   60  and name HD1  ) (resi   64  and name HD2# )  3.0  4.5  4.5 !        L64    
assign (resi   60  and name HD2  ) (resi   60  and name HN   )  4.9  3.1  1.1
assign (resi   60  and name HN   ) (resi   61  and name HB#  )  3.6  3.1  3.1 !        A61    
assign (resi   60  and name HN   ) (resi   61  and name HN   )  2.7  0.9  0.9
assign (resi   60  and name HN   ) (resi   62  and name HN   )  4.0  2.0  2.0


! A61
assign (resi   61  and name HA   ) (resi   61  and name HB#  )  1.9  2.0  2.0 !        A61    
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   )  3.4  1.4  1.4
assign (resi   61  and name HA   ) (resi   64  and name HB1  )  3.7  1.7  1.7
assign (resi   61  and name HA   ) (resi   64  and name HD1# )  4.3  3.8  3.2 !        L64    
assign (resi   61  and name HA   ) (resi   64  and name HN   )  3.2  1.3  1.3
assign (resi   61  and name HA   ) (resi   65  and name HN   )  3.0  1.1  1.1
assign (resi   61  and name HB#  ) (resi   61  and name HN   )  2.2  2.1  2.1 ! A61    
assign (resi   61  and name HB#  ) (resi   64  and name HN   )  3.6  3.2  3.2 ! A61    
assign (resi   61  and name HB#  ) (resi   65  and name HA   )  3.8  3.3  3.3 ! A61    
assign (resi   61  and name HN   ) (resi   62  and name HN   )  2.6  0.8  0.8
assign (resi   61  and name HN   ) (resi   63  and name HN   )  3.2  1.3  1.3


! A62
assign (resi   62  and name HA   ) (resi   62  and name HB#  )  1.9  2.0  2.0 !        A62    
assign (resi   62  and name HA   ) (resi   65  and name HB1  )  2.4  0.7  0.7
assign (resi   62  and name HA   ) (resi   65  and name HB2  )  2.9  1.0  1.0
assign (resi   62  and name HA   ) (resi   65  and name HN   )  3.0  1.1  1.1
assign (resi   62  and name HB#  ) (resi   62  and name HN   )  2.1  2.1  2.1 ! A62    
assign (resi   62  and name HN   ) (resi   63  and name HN   )  2.6  0.8  0.8


! K63
assign (resi   63  and name HA   ) (resi   63  and name HB#  )  2.8  2.0  2.0 !        K63    
assign (resi   63  and name HA   ) (resi   63  and name HN   )  2.5  0.8  0.8
assign (resi   63  and name HA   ) (resi   64  and name HN   )  2.7  0.9  0.9
assign (resi   63  and name HA   ) (resi   66  and name HB#  )  3.0  2.1  2.1 !        E66    
assign (resi   63  and name HA   ) (resi   66  and name HN   )  2.9  1.1  1.1
assign (resi   63  and name HB#  ) (resi   63  and name HD#  )  3.2  3.3  3.3 ! K63    K63    
assign (resi   63  and name HB#  ) (resi   63  and name HN   )  2.5  1.8  1.8 ! K63    
assign (resi   63  and name HG1  ) (resi   67  and name HN   )  3.2  3.2  2.8
assign (resi   63  and name HD#  ) (resi   63  and name HN   )  3.2  2.3  2.3 ! K63    
assign (resi   63  and name HN   ) (resi   64  and name HG   )  4.5  2.5  1.5
assign (resi   63  and name HN   ) (resi   64  and name HD2# )  4.7  4.2  2.8 !        L64    
assign (resi   63  and name HN   ) (resi   64  and name HN   )  2.4  0.7  0.7
assign (resi   63  and name HN   ) (resi   65  and name HN   )  4.3  2.3  1.7


! L64
assign (resi   64  and name HA   ) (resi   64  and name HB1  )  2.3  0.7  0.7
assign (resi   64  and name HA   ) (resi   64  and name HB2  )  2.4  0.7  0.7
assign (resi   64  and name HA   ) (resi   64  and name HD1# )  2.4  2.2  2.2 !        L64    
assign (resi   64  and name HA   ) (resi   64  and name HD2# )  2.3  2.2  2.2 !        L64    
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  1.8  1.8 !        K67    
assign (resi   64  and name HA   ) (resi   67  and name HG#  )  3.6  2.6  2.6 !        K67    
assign (resi   64  and name HA   ) (resi   67  and name HN   )  2.9  1.1  1.1
assign (resi   64  and name HA   ) (resi   68  and name HN   )  3.4  1.4  1.4
assign (resi   64  and name HB1  ) (resi   64  and name HB2  )  2.1  0.6  0.6
assign (resi   64  and name HB1  ) (resi   64  and name HD1# )  2.6  2.4  2.4 !        L64    
assign (resi   64  and name HB1  ) (resi   64  and name HD2# )  3.2  2.8  2.8 !        L64    
assign (resi   64  and name HB1  ) (resi   64  and name HN   )  3.6  1.7  1.7
assign (resi   64  and name HB2  ) (resi   64  and name HD1# )  2.7  2.4  2.4 !        L64    
assign (resi   64  and name HB2  ) (resi   64  and name HD2# )  2.3  2.2  2.2 !        L64    
assign (resi   64  and name HD2# ) (resi   64  and name HN   )  2.6  4.1  4.9 ! L64    
assign (resi   64  and name HD2# ) (resi   65  and name HN   )  4.3  3.8  3.2 ! L64    
assign (resi   64  and name HD2# ) (resi   67  and name HG#  )  2.8  5.3  5.7 ! L64    K67    
assign (resi   64  and name HD2# ) (resi   67  and name HN   )  4.3  3.8  3.2 ! L64    
assign (resi   64  and name HD2# ) (resi   68  and name HN   )  4.7  4.2  2.8 ! L64    
assign (resi   64  and name HN   ) (resi   65  and name HN   )  2.6  0.9  0.9
assign (resi   64  and name HN   ) (resi   66  and name HN   )  3.2  1.3  1.3


! K65
assign (resi   65  and name HA   ) (resi   65  and name HB1  )  2.9  1.1  1.1
assign (resi   65  and name HA   ) (resi   65  and name HB2  )  2.4  0.7  0.7
assign (resi   65  and name HA   ) (resi   65  and name HG1  )  2.4  0.7  0.7
assign (resi   65  and name HA   ) (resi   65  and name HG2  )  3.0  1.1  1.1
assign (resi   65  and name HA   ) (resi   65  and name HD#  )  4.1  3.1  2.9 !        K65    
assign (resi   65  and name HA   ) (resi   65  and name HE#  )  3.0  4.0  4.0 !        K65    
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 HB1  )  2.6  0.9  0.9
assign (resi   65  and name HA   ) (resi   68  and name HB2  )  2.7  0.9  0.9
assign (resi   65  and name HA   ) (resi   68  and name HD#  )  3.5  3.6  3.6 !        Y68    
assign (resi   65  and name HA   ) (resi   68  and name HN   )  2.9  1.0  1.0
assign (resi   65  and name HA   ) (resi   69  and name HG1  )  3.6  1.6  1.6
assign (resi   65  and name HA   ) (resi   69  and name HG2  )  3.1  3.1  2.9
assign (resi   65  and name HA   ) (resi   69  and name HN   )  3.5  1.5  1.5
assign (resi   65  and name HB1  ) (resi   65  and name HB2  )  1.9  0.5  0.5
assign (resi   65  and name HB1  ) (resi   65  and name HG1  )  3.2  1.3  1.3
assign (resi   65  and name HB1  ) (resi   65  and name HG2  )  2.9  1.0  1.0
assign (resi   65  and name HB1  ) (resi   65  and name HD#  )  3.6  2.6  2.6 !        K65    
assign (resi   65  and name HB1  ) (resi   65  and name HN   )  2.5  0.8  0.8
assign (resi   65  and name HB2  ) (resi   65  and name HN   )  2.4  0.7  0.7
assign (resi   65  and name HG1  ) (resi   65  and name HN   )  3.7  1.7  1.7
assign (resi   65  and name HG1  ) (resi   68  and name HN   )  3.6  3.6  2.4
assign (resi   65  and name HG2  ) (resi   65  and name HN   )  4.4  2.4  1.6
assign (resi   65  and name HG2  ) (resi   68  and name HN   )  3.7  3.7  2.3
assign (resi   65  and name HD#  ) (resi   65  and name HN   )  3.3  2.4  2.4 ! K65    
assign (resi   65  and name HN   ) (resi   66  and name HB#  )  4.7  3.8  2.3 !        E66    
assign (resi   65  and name HN   ) (resi   66  and name HG#  )  5.1  4.3  1.9 !        E66    
assign (resi   65  and name HN   ) (resi   66  and name HN   )  2.7  0.9  0.9
assign (resi   65  and name HN   ) (resi   67  and name HN   )  4.3  2.3  1.7
assign (resi   65  and name HN   ) (resi   68  and name HB1  )  3.5  3.5  2.5


! E66
assign (resi   66  and name HA   ) (resi   66  and name HB#  )  2.2  1.6  1.6 !        E66    
assign (resi   66  and name HA   ) (resi   66  and name HG#  )  2.6  1.9  1.9 !        E66    
assign (resi   66  and name HA   ) (resi   66  and name HN   )  2.6  0.8  0.8
assign (resi   66  and name HA   ) (resi   69  and name HB1  )  4.3  2.3  1.7
assign (resi   66  and name HA   ) (resi   69  and name HB2  )  3.2  1.3  1.3
assign (resi   66  and name HA   ) (resi   69  and name HN   )  3.2  1.2  1.2
assign (resi   66  and name HA   ) (resi   70  and name HN   )  2.7  2.7  3.3
assign (resi   66  and name HB#  ) (resi   66  and name HG#  )  2.9  3.1  3.1 ! E66    E66    
assign (resi   66  and name HB#  ) (resi   66  and name HN   )  2.4  1.7  1.7 ! E66    
assign (resi   66  and name HB#  ) (resi   67  and name HN   )  2.7  1.9  1.9 ! E66    
assign (resi   66  and name HG#  ) (resi   66  and name HN   )  3.3  2.3  2.3 ! E66    
assign (resi   66  and name HG#  ) (resi   67  and name HN   )  4.1  3.1  2.9 ! E66    
assign (resi   66  and name HN   ) (resi   67  and name HN   )  2.4  0.7  0.7


! K67
assign (resi   67  and name HA   ) (resi   67  and name HB#  )  2.1  1.6  1.6 !        K67    
assign (resi   67  and name HA   ) (resi   67  and name HG#  )  2.7  1.9  1.9 !        K67    
assign (resi   67  and name HA   ) (resi   67  and name HE#  )  3.9  2.9  2.9 !        K67    
assign (resi   67  and name HA   ) (resi   67  and name HN   )  2.6  0.8  0.8
assign (resi   67  and name HA   ) (resi   68  and name HA   )  3.7  1.7  1.7
assign (resi   67  and name HA   ) (resi   71  and name HN   )  3.2  1.3  1.3
assign (resi   67  and name HB#  ) (resi   67  and name HN   )  2.3  1.6  1.6 ! K67    
assign (resi   67  and name HB#  ) (resi   68  and name HA   )  3.7  2.7  2.7 ! K67    
assign (resi   67  and name HB#  ) (resi   68  and name HN   )  2.6  1.9  1.9 ! K67    
assign (resi   67  and name HG#  ) (resi   67  and name HN   )  3.8  2.8  2.8 ! K67    
assign (resi   67  and name HD#  ) (resi   67  and name HN   )  4.5  3.6  2.5 ! K67    
assign (resi   67  and name HD#  ) (resi   68  and name HN   )  3.2  4.2  3.8 ! K67    
assign (resi   67  and name HD#  ) (resi   71  and name HN   )  3.4  4.4  3.6 ! K67    
assign (resi   67  and name HN   ) (resi   68  and name HA   )  5.2  3.3  0.8
assign (resi   67  and name HN   ) (resi   68  and name HB1  )  4.7  2.8  1.3
assign (resi   67  and name HN   ) (resi   68  and name HB2  )  4.9  3.0  1.1
assign (resi   67  and name HN   ) (resi   68  and name HN   )  2.4  0.7  0.7
assign (resi   67  and name HN   ) (resi   69  and name HN   )  4.2  2.2  1.8


! Y68
assign (resi   68  and name HA   ) (resi   68  and name HB1  )  2.8  1.0  1.0
assign (resi   68  and name HA   ) (resi   68  and name HB2  )  2.5  0.8  0.8
assign (resi   68  and name HA   ) (resi   68  and name HE#  )  4.4  5.4  4.6 !        Y68    
assign (resi   68  and name HA   ) (resi   68  and name HN   )  2.8  1.0  1.0
assign (resi   68  and name HA   ) (resi   69  and name HN   )  3.6  1.6  1.6
assign (resi   68  and name HA   ) (resi   71  and name HB1  )  3.5  1.6  1.6
assign (resi   68  and name HA   ) (resi   72  and name HB   )  3.8  1.8  1.8
assign (resi   68  and name HA   ) (resi   72  and name HD1# )  3.1  4.6  4.4 !        I72    
assign (resi   68  and name HA   ) (resi   72  and name HN   )  3.3  1.3  1.3
assign (resi   68  and name HB1  ) (resi   68  and name HE#  )  4.2  5.2  4.8 !        Y68    
assign (resi   68  and name HB1  ) (resi   68  and name HN   )  2.4  0.7  0.7
assign (resi   68  and name HB1  ) (resi   69  and name HN   )  2.6  0.8  0.8
assign (resi   68  and name HB1  ) (resi   70  and name HN   )  5.0  3.2  1.0
assign (resi   68  and name HB1  ) (resi   72  and name HB   )  4.1  2.1  1.9
assign (resi   68  and name HB2  ) (resi   68  and name HD#  )  2.6  2.8  2.8 !        Y68    
assign (resi   68  and name HB2  ) (resi   68  and name HE#  )  4.1  5.1  4.9 !        Y68    
assign (resi   68  and name HB2  ) (resi   68  and name HN   )  2.4  0.7  0.7
assign (resi   68  and name HB2  ) (resi   69  and name HN   )  3.7  1.7  1.7
assign (resi   68  and name HB2  ) (resi   71  and name HN   )  5.3  3.6  0.7
assign (resi   68  and name HB2  ) (resi   72  and name HB   )  4.5  2.6  1.5
assign (resi   68  and name HD#  ) (resi   68  and name HE#  )  2.0  5.5  5.5 ! Y68    Y68    
assign (resi   68  and name HD#  ) (resi   68  and name HN   )  4.2  4.2  3.8 ! Y68    
assign (resi   68  and name HD#  ) (resi   69  and name HB1  )  4.0  4.0  4.0 ! Y68    
assign (resi   68  and name HD#  ) (resi   69  and name HB2  )  4.5  4.6  3.5 ! Y68    
assign (resi   68  and name HD#  ) (resi   69  and name HG1  )  2.8  3.0  3.0 ! Y68    
assign (resi   68  and name HD#  ) (resi   69  and name HG2  )  2.9  3.1  3.1 ! Y68    
assign (resi   68  and name HD#  ) (resi   69  and name HN   )  3.4  3.5  3.5 ! Y68    
assign (resi   68  and name HD#  ) (resi   72  and name HB   )  3.1  5.1  4.9 ! Y68    
assign (resi   68  and name HD#  ) (resi   72  and name HG1# )  3.4  4.4  4.4 ! Y68    I72    
assign (resi   68  and name HD#  ) (resi   72  and name HN   )  4.8  4.9  3.2 ! Y68    
assign (resi   68  and name HE#  ) (resi   69  and name HA   )  4.0  5.0  5.0 ! Y68    
assign (resi   68  and name HE#  ) (resi   69  and name HG1  )  3.8  4.8  4.8 ! Y68    
assign (resi   68  and name HE#  ) (resi   69  and name HG2  )  3.9  4.9  4.9 ! Y68    
assign (resi   68  and name HE#  ) (resi   69  and name HN   )  5.4  6.6  3.6 ! Y68    
assign (resi   68  and name HE#  ) (resi   72  and name HB   )  3.4  6.4  5.6 ! Y68    
assign (resi   68  and name HE#  ) (resi   72  and name HG1# )  3.1  5.2  5.2 ! Y68    I72    
assign (resi   68  and name HE#  ) (resi   72  and name HD1# )  2.4  6.9  8.1 ! Y68    I72    
assign (resi   68  and name HN   ) (resi   69  and name HA   )  5.1  3.2  0.9
assign (resi   68  and name HN   ) (resi   69  and name HG1  )  4.4  2.4  1.6
assign (resi   68  and name HN   ) (resi   69  and name HG2  )  5.3  3.5  0.7
assign (resi   68  and name HN   ) (resi   69  and name HN   )  2.8  1.0  1.0
assign (resi   68  and name HN   ) (resi   70  and name HN   )  3.8  1.8  1.8
assign (resi   68  and name HN   ) (resi   71  and name HN   )  4.3  2.3  1.7


! E69
assign (resi   69  and name HA   ) (resi   69  and name HB1  )  2.4  0.7  0.7
assign (resi   69  and name HA   ) (resi   69  and name HB2  )  2.9  1.1  1.1
assign (resi   69  and name HA   ) (resi   69  and name HG1  )  3.1  1.2  1.2
assign (resi   69  and name HA   ) (resi   69  and name HG2  )  2.5  0.8  0.8
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   )  3.6  1.6  1.6
assign (resi   69  and name HA   ) (resi   71  and name HN   )  4.6  2.6  1.4
assign (resi   69  and name HA   ) (resi   72  and name HB   )  2.7  0.9  0.9
assign (resi   69  and name HA   ) (resi   72  and name HG1# )  3.1  2.2  2.2 !        I72    
assign (resi   69  and name HA   ) (resi   72  and name HG2# )  2.7  2.4  2.4 !        I72    
assign (resi   69  and name HA   ) (resi   72  and name HD1# )  4.5  4.1  3.0 !        I72    
assign (resi   69  and name HA   ) (resi   72  and name HN   )  3.9  1.9  1.9
assign (resi   69  and name HA   ) (resi   73  and name HN   )  4.1  2.1  1.9
assign (resi   69  and name HB1  ) (resi   69  and name HB2  )  2.1  0.6  0.6
assign (resi   69  and name HB1  ) (resi   69  and name HG1  )  3.6  1.6  1.6
assign (resi   69  and name HB1  ) (resi   69  and name HG2  )  3.0  1.1  1.1
assign (resi   69  and name HB1  ) (resi   69  and name HN   )  3.4  1.5  1.5
assign (resi   69  and name HB1  ) (resi   70  and name HN   )  3.0  1.1  1.1
assign (resi   69  and name HB2  ) (resi   69  and name HG1  )  3.1  1.2  1.2
assign (resi   69  and name HB2  ) (resi   69  and name HG2  )  3.5  1.6  1.6
assign (resi   69  and name HB2  ) (resi   69  and name HN   )  2.5  0.8  0.8
assign (resi   69  and name HB2  ) (resi   70  and name HN   )  2.9  1.0  1.0
assign (resi   69  and name HB2  ) (resi   71  and name HN   )  5.1  3.2  0.9
assign (resi   69  and name HG1  ) (resi   69  and name HN   )  2.6  0.8  0.8
assign (resi   69  and name HG1  ) (resi   70  and name HN   )  4.8  2.9  1.2
assign (resi   69  and name HG2  ) (resi   69  and name HN   )  3.4  1.5  1.5
assign (resi   69  and name HG2  ) (resi   70  and name HN   )  5.2  3.4  0.8
assign (resi   69  and name HN   ) (resi   70  and name HG#  )  4.0  3.0  3.0 !        K70    
assign (resi   69  and name HN   ) (resi   70  and name HD#  )  3.1  4.1  3.9 !        K70    
assign (resi   69  and name HN   ) (resi   70  and name HE#  )  3.7  4.7  3.3 !        K70    
assign (resi   69  and name HN   ) (resi   70  and name HN   )  2.8  0.9  0.9
assign (resi   69  and name HN   ) (resi   71  and name HB1  )  5.7  5.7  0.3
assign (resi   69  and name HN   ) (resi   71  and name HN   )  4.2  2.2  1.8
assign (resi   69  and name HN   ) (resi   72  and name HG1# )  3.6  2.6  2.6 !        I72    
assign (resi   69  and name HN   ) (resi   72  and name HG2# )  3.3  4.8  4.2 !        I72    
assign (resi   69  and name HN   ) (resi   72  and name HN   )  4.0  2.0  2.0


! K70
assign (resi   70  and name HA   ) (resi   70  and name HE#  )  3.7  2.7  2.7 !        K70    
assign (resi   70  and name HA   ) (resi   70  and name HN   )  2.6  0.8  0.8
assign (resi   70  and name HA   ) (resi   73  and name HB#  )  2.2  2.1  2.1 !        A73    
assign (resi   70  and name HA   ) (resi   73  and name HN   )  2.7  0.9  0.9
assign (resi   70  and name HB#  ) (resi   70  and name HN   )  2.4  1.7  1.7 ! K70    
assign (resi   70  and name HB#  ) (resi   71  and name HA   )  3.9  2.9  2.9 ! K70    
assign (resi   70  and name HB#  ) (resi   71  and name HN   )  2.6  1.9  1.9 ! K70    
assign (resi   70  and name HB#  ) (resi   72  and name HN   )  5.2  4.4  1.8 ! K70    
assign (resi   70  and name HB#  ) (resi   73  and name HN   )  4.9  4.0  2.1 ! K70    
assign (resi   70  and name HG#  ) (resi   70  and name HN   )  3.3  2.4  2.4 ! K70    
assign (resi   70  and name HG#  ) (resi   71  and name HN   )  4.2  3.2  2.8 ! K70    
assign (resi   70  and name HD#  ) (resi   70  and name HN   )  3.2  2.3  2.3 ! K70    
assign (resi   70  and name HD#  ) (resi   71  and name HN   )  3.0  4.0  4.0 ! K70    
assign (resi   70  and name HN   ) (resi   71  and name HB1  )  5.6  4.0  0.4
assign (resi   70  and name HN   ) (resi   71  and name HB2  )  4.8  2.9  1.2
assign (resi   70  and name HN   ) (resi   71  and name HN   )  2.6  0.8  0.8
assign (resi   70  and name HN   ) (resi   72  and name HG2# )  5.1  4.8  2.4 !        I72    
assign (resi   70  and name HN   ) (resi   72  and name HN   )  3.0  1.1  1.1
assign (resi   70  and name HN   ) (resi   73  and name HN   )  4.3  2.3  1.7


! D71
assign (resi   71  and name HA   ) (resi   71  and name HB1  )  2.4  0.7  0.7
assign (resi   71  and name HA   ) (resi   71  and name HB2  )  2.9  1.0  1.0
assign (resi   71  and name HA   ) (resi   71  and name HN   )  2.6  0.9  0.9
assign (resi   71  and name HA   ) (resi   72  and name HA   )  4.0  2.0  2.0
assign (resi   71  and name HA   ) (resi   72  and name HN   )  3.4  1.4  1.4
assign (resi   71  and name HA   ) (resi   73  and name HN   )  4.1  2.1  1.9
assign (resi   71  and name HA   ) (resi   74  and name HB#  )  2.5  2.3  2.3 !        A74    
assign (resi   71  and name HA   ) (resi   74  and name HN   )  3.4  1.5  1.5
assign (resi   71  and name HA   ) (resi   75  and name HB1  )  4.1  2.1  1.9
assign (resi   71  and name HA   ) (resi   75  and name HN   )  3.8  1.8  1.8
assign (resi   71  and name HB1  ) (resi   71  and name HB2  )  2.1  0.5  0.5
assign (resi   71  and name HB1  ) (resi   71  and name HN   )  3.4  1.4  1.4
assign (resi   71  and name HB1  ) (resi   72  and name HN   )  3.9  1.9  1.9
assign (resi   71  and name HB1  ) (resi   74  and name HB#  )  4.1  3.6  3.4 !        A74    
assign (resi   71  and name HB2  ) (resi   72  and name HN   )  2.9  1.1  1.1
assign (resi   71  and name HB2  ) (resi   73  and name HN   )  5.4  3.6  0.6
assign (resi   71  and name HB2  ) (resi   74  and name HB#  )  4.6  4.2  2.9 !        A74    
assign (resi   71  and name HN   ) (resi   72  and name HA   )  5.2  3.3  0.8
assign (resi   71  and name HN   ) (resi   72  and name HG1# )  4.8  3.9  2.2 !        I72    
assign (resi   71  and name HN   ) (resi   72  and name HG2# )  5.0  4.7  2.5 !        I72    
assign (resi   71  and name HN   ) (resi   72  and name HD1# )  3.2  4.7  4.3 !        I72    
assign (resi   71  and name HN   ) (resi   73  and name HN   )  4.2  2.2  1.8


! I72
assign (resi   72  and name HA   ) (resi   72  and name HB   )  2.4  0.7  0.7
assign (resi   72  and name HA   ) (resi   72  and name HG1# )  2.8  2.0  2.0 !        I72    
assign (resi   72  and name HA   ) (resi   72  and name HG2# )  2.3  2.1  2.1 !        I72    
assign (resi   72  and name HA   ) (resi   72  and name HD1# )  2.0  2.0  2.0 !        I72    
assign (resi   72  and name HA   ) (resi   72  and name HN   )  2.8  1.0  1.0
assign (resi   72  and name HA   ) (resi   73  and name HA   )  3.7  1.7  1.7
assign (resi   72  and name HA   ) (resi   73  and name HN   )  3.4  1.4  1.4
assign (resi   72  and name HA   ) (resi   75  and name HB1  )  2.4  0.7  0.7
assign (resi   72  and name HA   ) (resi   75  and name HB2  )  3.2  1.3  1.3
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 HA   )  3.7  1.7  1.7
assign (resi   72  and name HA   ) (resi   76  and name HN   )  3.7  1.7  1.7
assign (resi   72  and name HB   ) (resi   72  and name HG1# )  2.4  1.7  1.7 !        I72    
assign (resi   72  and name HB   ) (resi   72  and name HG2# )  2.2  2.1  2.1 !        I72    
assign (resi   72  and name HB   ) (resi   72  and name HD1# )  2.6  2.4  2.4 !        I72    
assign (resi   72  and name HB   ) (resi   72  and name HN   )  2.5  0.8  0.8
assign (resi   72  and name HB   ) (resi   75  and name HD#  )  4.1  4.1  3.9 !        Y75    
assign (resi   72  and name HG1# ) (resi   72  and name HG2# )  2.4  3.2  3.2 ! I72    I72    
assign (resi   72  and name HG1# ) (resi   72  and name HD1# )  2.2  3.1  3.1 ! I72    I72    
assign (resi   72  and name HG1# ) (resi   72  and name HN   )  2.9  2.0  2.0 ! I72    
assign (resi   72  and name HG1# ) (resi   73  and name HN   )  4.1  3.1  2.9 ! I72    
assign (resi   72  and name HG1# ) (resi   74  and name HN   )  5.0  4.1  2.0 ! I72    
assign (resi   72  and name HG1# ) (resi   75  and name HE#  )  3.4  7.4  6.6 ! I72    Y75    
assign (resi   72  and name HG1# ) (resi   75  and name HN   )  5.3  4.4  1.7 ! I72    
assign (resi   72  and name HG1# ) (resi   76  and name HN   )  5.2  4.4  1.8 ! I72    
assign (resi   72  and name HG2# ) (resi   72  and name HN   )  3.5  3.0  3.0 ! I72    
assign (resi   72  and name HG2# ) (resi   73  and name HA   )  3.2  2.8  2.8 ! I72    
assign (resi   72  and name HG2# ) (resi   73  and name HN   )  2.9  2.6  2.6 ! I72    
assign (resi   72  and name HG2# ) (resi   74  and name HB#  )  4.7  5.7  4.3 ! I72    A74    
assign (resi   72  and name HG2# ) (resi   75  and name HB1  )  3.5  3.1  3.1 ! I72    
assign (resi   72  and name HG2# ) (resi   75  and name HB2  )  4.6  4.1  2.9 ! I72    
assign (resi   72  and name HG2# ) (resi   75  and name HN   )  4.2  3.7  3.3 ! I72    
assign (resi   72  and name HG2# ) (resi   76  and name HN   )  4.2  3.7  3.3 ! I72    
assign (resi   72  and name HD1# ) (resi   72  and name HN   )  3.2  2.8  2.8 ! I72    
assign (resi   72  and name HD1# ) (resi   73  and name HN   )  3.6  3.1  3.1 ! I72    
assign (resi   72  and name HD1# ) (resi   75  and name HA   )  5.7  5.6  1.8 ! I72    
assign (resi   72  and name HD1# ) (resi   75  and name HB1  )  3.8  3.3  3.3 ! I72    
assign (resi   72  and name HD1# ) (resi   75  and name HB2  )  4.6  4.2  2.9 ! I72    
assign (resi   72  and name HD1# ) (resi   76  and name HD#  )  2.7  5.2  5.8 ! I72    R76    
assign (resi   72  and name HD1# ) (resi   76  and name HN   )  4.4  4.0  3.1 ! I72    
assign (resi   72  and name HN   ) (resi   73  and name HN   )  2.6  0.9  0.9
assign (resi   72  and name HN   ) (resi   74  and name HN   )  4.3  2.3  1.7
assign (resi   72  and name HN   ) (resi   75  and name HB2  )  3.6  3.6  2.4
assign (resi   72  and name HN   ) (resi   75  and name HN   )  4.6  2.7  1.4


! A73
assign (resi   73  and name HA   ) (resi   73  and name HB#  )  2.0  2.0  2.0 !        A73    
assign (resi   73  and name HA   ) (resi   73  and name HN   )  2.7  0.9  0.9
assign (resi   73  and name HA   ) (resi   74  and name HN   )  3.4  1.4  1.4
assign (resi   73  and name HA   ) (resi   76  and name HB1  )  2.5  0.8  0.8
assign (resi   73  and name HA   ) (resi   76  and name HG1  )  3.3  3.3  2.7
assign (resi   73  and name HA   ) (resi   76  and name HG2  )  3.5  1.6  1.6
assign (resi   73  and name HA   ) (resi   76  and name HD#  )  3.5  2.5  2.5 !        R76    
assign (resi   73  and name HA   ) (resi   76  and name HN   )  2.8  1.0  1.0
assign (resi   73  and name HB#  ) (resi   73  and name HN   )  2.2  2.1  2.1 ! A73    
assign (resi   73  and name HN   ) (resi   74  and name HA   )  5.4  3.7  0.6
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   )  4.0  2.0  2.0
assign (resi   73  and name HN   ) (resi   76  and name HB1  )  4.8  2.9  1.2
assign (resi   73  and name HN   ) (resi   76  and name HB2  )  4.6  2.7  1.4


! 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   )  2.8  1.0  1.0
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   )  2.3  2.1  2.1 ! A74    
assign (resi   74  and name HB#  ) (resi   75  and name HA   )  3.5  3.1  3.1 ! A74    
assign (resi   74  and name HB#  ) (resi   75  and name HB1  )  4.6  4.2  2.9 ! A74    
assign (resi   74  and name HB#  ) (resi   75  and name HB2  )  4.4  3.9  3.1 ! A74    
assign (resi   74  and name HB#  ) (resi   75  and name HD#  )  4.3  5.8  5.2 ! A74    Y75    
assign (resi   74  and name HB#  ) (resi   75  and name HN   )  2.7  2.4  2.4 ! A74    
assign (resi   74  and name HB#  ) (resi   78  and name HE#  )  2.9  5.4  5.6 ! A74    K78    
assign (resi   74  and name HN   ) (resi   75  and name HB1  )  4.9  3.0  1.1
assign (resi   74  and name HN   ) (resi   75  and name HB2  )  5.2  3.3  0.8
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   )  2.9  1.0  1.0


! Y75
assign (resi   75  and name HA   ) (resi   75  and name HB1  )  2.5  0.8  0.8
assign (resi   75  and name HA   ) (resi   75  and name HB2  )  2.3  0.7  0.7
assign (resi   75  and name HA   ) (resi   75  and name HD#  )  2.3  2.7  2.7 !        Y75    
assign (resi   75  and name HA   ) (resi   75  and name HE#  )  4.0  5.0  5.0 !        Y75    
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   )  2.7  0.9  0.9
assign (resi   75  and name HA   ) (resi   77  and name HN   )  4.3  2.4  1.7
assign (resi   75  and name HA   ) (resi   78  and name HG#  )  3.6  2.6  2.6 !        K78    
assign (resi   75  and name HB1  ) (resi   75  and name HB2  )  1.8  0.4  0.4
assign (resi   75  and name HB1  ) (resi   75  and name HD#  )  1.7  2.4  2.5 !        Y75    
assign (resi   75  and name HB1  ) (resi   75  and name HE#  )  4.5  5.5  4.5 !        Y75    
assign (resi   75  and name HB1  ) (resi   75  and name HN   )  2.3  0.7  0.7
assign (resi   75  and name HB1  ) (resi   76  and name HN   )  2.9  1.1  1.1
assign (resi   75  and name HB2  ) (resi   75  and name HD#  )  2.4  2.7  2.7 !        Y75    
assign (resi   75  and name HB2  ) (resi   75  and name HE#  )  3.7  4.7  4.7 !        Y75    
assign (resi   75  and name HB2  ) (resi   75  and name HN   )  2.6  0.8  0.8
assign (resi   75  and name HB2  ) (resi   76  and name HN   )  3.7  1.7  1.7
assign (resi   75  and name HD#  ) (resi   75  and name HE#  )  2.8  6.0  6.0 ! Y75    Y75    
assign (resi   75  and name HD#  ) (resi   75  and name HN   )  4.2  4.2  3.8 ! Y75    
assign (resi   75  and name HD#  ) (resi   76  and name HB2  )  3.6  5.6  4.4 ! Y75    
assign (resi   75  and name HD#  ) (resi   76  and name HN   )  3.6  3.6  3.6 ! Y75    
assign (resi   75  and name HD#  ) (resi   78  and name HB1  )  2.9  4.9  5.1 ! Y75    
assign (resi   75  and name HD#  ) (resi   78  and name HG#  )  3.8  4.8  4.8 ! Y75    K78    
assign (resi   75  and name HE#  ) (resi   76  and name HA   )  2.8  5.8  6.2 ! Y75    
assign (resi   75  and name HE#  ) (resi   76  and name HN   )  3.5  6.5  5.5 ! Y75    
assign (resi   75  and name HE#  ) (resi   78  and name HG#  )  2.4  6.4  7.6 ! Y75    K78    
assign (resi   75  and name HN   ) (resi   76  and name HA   )  4.6  2.6  1.4
assign (resi   75  and name HN   ) (resi   76  and name HB1  )  4.8  2.9  1.2
assign (resi   75  and name HN   ) (resi   76  and name HB2  )  4.8  2.9  1.2


! R76
assign (resi   76  and name HA   ) (resi   76  and name HB1  )  2.5  0.8  0.8
assign (resi   76  and name HA   ) (resi   76  and name HB2  )  2.8  1.0  1.0
assign (resi   76  and name HA   ) (resi   76  and name HG1  )  3.2  1.3  1.3
assign (resi   76  and name HA   ) (resi   76  and name HG2  )  2.5  0.8  0.8
assign (resi   76  and name HA   ) (resi   76  and name HD#  )  3.2  2.3  2.3 !        R76    
assign (resi   76  and name HA   ) (resi   76  and name HN   )  2.7  0.9  0.9
assign (resi   76  and name HA   ) (resi   77  and name HB#  )  4.1  3.6  3.4 !        A77    
assign (resi   76  and name HA   ) (resi   77  and name HN   )  2.9  1.0  1.0
assign (resi   76  and name HB1  ) (resi   76  and name HB2  )  1.8  0.4  0.4
assign (resi   76  and name HB1  ) (resi   76  and name HD#  )  3.3  2.4  2.4 !        R76    
assign (resi   76  and name HB1  ) (resi   76  and name HN   )  3.0  1.1  1.1
assign (resi   76  and name HB1  ) (resi   77  and name HN   )  3.2  1.3  1.3
assign (resi   76  and name HB2  ) (resi   76  and name HD#  )  3.4  2.5  2.5 !        R76    
assign (resi   76  and name HB2  ) (resi   76  and name HN   )  2.3  0.7  0.7
assign (resi   76  and name HB2  ) (resi   77  and name HN   )  4.1  2.1  1.9
assign (resi   76  and name HG1  ) (resi   76  and name HN   )  4.1  2.1  1.9
assign (resi   76  and name HG2  ) (resi   76  and name HN   )  4.0  2.0  2.0
assign (resi   76  and name HD#  ) (resi   77  and name HN   )  5.1  4.2  1.9 ! R76    
assign (resi   76  and name HN   ) (resi   77  and name HB#  )  2.9  4.4  4.6 !        A77    
assign (resi   76  and name HN   ) (resi   77  and name HN   )  2.6  0.9  0.9
assign (resi   76  and name HN   ) (resi   78  and name HN   )  3.1  3.1  2.9


! A77
assign (resi   77  and name HA   ) (resi   77  and name HB#  )  2.0  2.0  2.0 !        A77    
assign (resi   77  and name HA   ) (resi   77  and name HN   )  2.8  1.0  1.0
assign (resi   77  and name HA   ) (resi   78  and name HB1  )  3.0  3.0  3.0
assign (resi   77  and name HA   ) (resi   78  and name HB2  )  2.9  2.9  3.1
assign (resi   77  and name HA   ) (resi   78  and name HN   )  2.6  0.8  0.8
assign (resi   77  and name HB#  ) (resi   77  and name HN   )  2.4  2.2  2.2 ! A77    
assign (resi   77  and name HB#  ) (resi   78  and name HA   )  4.1  3.6  3.4 ! A77    


! K78
assign (resi   78  and name HA   ) (resi   78  and name HB1  )  2.6  0.9  0.9
assign (resi   78  and name HA   ) (resi   78  and name HB2  )  2.4  0.7  0.7
assign (resi   78  and name HA   ) (resi   78  and name HG#  )  2.8  2.0  2.0 !        K78    
assign (resi   78  and name HA   ) (resi   78  and name HN   )  3.0  1.1  1.1
assign (resi   78  and name HB1  ) (resi   78  and name HB2  )  1.5  0.3  0.7
assign (resi   78  and name HB1  ) (resi   78  and name HN   )  3.2  1.3  1.3
assign (resi   78  and name HB2  ) (resi   78  and name HN   )  3.3  1.4  1.4
assign (resi   78  and name HG#  ) (resi   78  and name HN   )  3.3  2.3  2.3 ! K78    

!Dihedral angle restraints 

!!	phi torsion constraints

!!	A7
assign (resid   6 and name c )  (resid   7 and name n )
       (resid   7 and name ca)  (resid   7 and name c )  1.0  -65.0   40.0 2
!!	R10
assign (resid   9 and name c )  (resid  10 and name n )
       (resid  10 and name ca)  (resid  10 and name c )  1.0  -65.0   40.0 2
!!	F15
assign (resid  14 and name c )  (resid  15 and name n )
       (resid  15 and name ca)  (resid  15 and name c )  1.0  -65.0   40.0 2
!!	F16
assign (resid  15 and name c )  (resid  16 and name n )
       (resid  16 and name ca)  (resid  16 and name c )  1.0  -65.0   40.0 2
!!	L17
assign (resid  16 and name c )  (resid  17 and name n )
       (resid  17 and name ca)  (resid  17 and name c )  1.0  -65.0   40.0 2
!!	F18
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
!!	C19
assign (resid  18 and name c )  (resid  19 and name n )
       (resid  19 and name ca)  (resid  19 and name c )  1.0  -65.0   40.0 2
!!	S20
assign (resid  19 and name c )  (resid  20 and name n )
       (resid  20 and name ca)  (resid  20 and name c )  1.0  -65.0   40.0 2
!!	R23
assign (resid  22 and name c )  (resid  23 and name n )
       (resid  23 and name ca)  (resid  23 and name c )  1.0  -65.0   40.0 2
!!	I26
assign (resid  25 and name c )  (resid  26 and name n )
       (resid  26 and name ca)  (resid  26 and name c )  1.0  -65.0   40.0 2
!!	K27
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
!!	S28
assign (resid  27 and name c )  (resid  28 and name n )
       (resid  28 and name ca)  (resid  28 and name c )  1.0  -65.0   40.0 2
!!	H30
assign (resid  29 and name c )  (resid  30 and name n )
       (resid  30 and name ca)  (resid  30 and name c )  1.0 -120.0   40.0 2
!!	L33
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
!!	S34
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
!!	T38
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
!!	A39
!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
!!	K40
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
!!	L42
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
!!	E44
assign (resid  43 and name c )  (resid  44 and name n )
       (resid  44 and name ca)  (resid  44 and name c )  1.0  -65.0   40.0 2
!!	M45
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
!!	W46
assign (resid  45 and name c )  (resid  46 and name n )
       (resid  46 and name ca)  (resid  46 and name c )  1.0  -65.0   40.0 2
!!	S47
assign (resid  46 and name c )  (resid  47 and name n )
       (resid  47 and name ca)  (resid  47 and name c )  1.0  -65.0   40.0 2
!!	S50
assign (resid  49 and name c )  (resid  50 and name n )
       (resid  50 and name ca)  (resid  50 and name c )  1.0  -65.0   40.0 2
!!	A51
assign (resid  50 and name c )  (resid  51 and name n )
       (resid  51 and name ca)  (resid  51 and name c )  1.0  -65.0   40.0 2
!!	K52
assign (resid  51 and name c )  (resid  52 and name n )
       (resid  52 and name ca)  (resid  52 and name c )  1.0  -65.0   40.0 2
!!	Q55
assign (resid  54 and name c )  (resid  55 and name n )
       (resid  55 and name ca)  (resid  55 and name c )  1.0  -65.0   40.0 2
!!	E58
!assign (resid  57 and name c )  (resid  58 and name n )
!       (resid  58 and name ca)  (resid  58 and name c )  1.0  -65.0   40.0 2
!!	Q59
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
!!	K60
assign (resid  59 and name c )  (resid  60 and name n )
       (resid  60 and name ca)  (resid  60 and name c )  1.0  -65.0   40.0 2
!!	A61
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
!!	A62
assign (resid  61 and name c )  (resid  62 and name n )
       (resid  62 and name ca)  (resid  62 and name c )  1.0  -65.0   40.0 2
!!	K63
assign (resid  62 and name c )  (resid  63 and name n )
       (resid  63 and name ca)  (resid  63 and name c )  1.0  -65.0   40.0 2
!!	L64
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
!!	K65
assign (resid  64 and name c )  (resid  65 and name n )
       (resid  65 and name ca)  (resid  65 and name c )  1.0  -65.0   40.0 2
!!	E66
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
!!	Y68
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
!!	E69
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
!!	D71
assign (resid  70 and name c )  (resid  71 and name n )
       (resid  71 and name ca)  (resid  71 and name c )  1.0  -65.0   40.0 2
!!	I72
assign (resid  71 and name c )  (resid  72 and name n )
       (resid  72 and name ca)  (resid  72 and name c )  1.0  -65.0   40.0 2
!!	A73
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
!!	A74
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
!!	Y75
assign (resid  74 and name c )  (resid  75 and name n )
       (resid  75 and name ca)  (resid  75 and name c )  1.0  -65.0   40.0 2

!! 	chi1 torsion constraints

!!	N6  
assign (resid   6 and name n  )  (resid   6 and name ca )
       (resid   6 and name cb )  (resid   6 and name cg )  1.0  -60.0   40.0 2
!!	K9  
assign (resid   9 and name n  )  (resid   9 and name ca )
       (resid   9 and name cb )  (resid   9 and name cg )  1.0  -60.0   40.0 2
!!	F15 
assign (resid  15 and name n  )  (resid  15 and name ca )
       (resid  15 and name cb )  (resid  15 and name cg )  1.0  180.0   40.0 2
!!	F16 
assign (resid  16 and name n  )  (resid  16 and name ca )
       (resid  16 and name cb )  (resid  16 and name cg )  1.0  180.0   40.0 2
!!	F18 
!assign (resid  18 and name n  )  (resid  18 and name ca )
!       (resid  18 and name cb )  (resid  18 and name cg )  1.0   60.0   60.0 2 !
!!	E21 
assign (resid  21 and name n  )  (resid  21 and name ca )
       (resid  21 and name cb )  (resid  21 and name cg )  1.0   60.0   60.0 2 !
!!	H22 
assign (resid  22 and name n  )  (resid  22 and name ca )
       (resid  22 and name cb )  (resid  22 and name cg )  1.0  -60.0   40.0 2
!!	K27 
assign (resid  27 and name n  )  (resid  27 and name ca )
       (resid  27 and name cb )  (resid  27 and name cg )  1.0  -60.0   60.0 2 !
!!	E29 
assign (resid  29 and name n  )  (resid  29 and name ca )
       (resid  29 and name cb )  (resid  29 and name cg )  1.0  -60.0   40.0 2
!!	S34 
assign (resid  34 and name n  )  (resid  34 and name ca )
       (resid  34 and name cb )  (resid  34 and name og )  1.0   60.0   40.0 2
!!	D37 
assign (resid  37 and name n  )  (resid  37 and name ca )
       (resid  37 and name cb )  (resid  37 and name cg )  1.0  -60.0   40.0 2
!!	K40 
assign (resid  40 and name n  )  (resid  40 and name ca )
       (resid  40 and name cb )  (resid  40 and name cg )  1.0  -60.0   40.0 2
!!	L42 
!assign (resid  42 and name n  )  (resid  42 and name ca )
!       (resid  42 and name cb )  (resid  42 and name cg )  1.0  -60.0   60.0 2 !
!!	E44 
!assign (resid  44 and name n  )  (resid  44 and name ca )
!       (resid  44 and name cb )  (resid  44 and name cg )  1.0   60.0   60.0 2 !
!!	W46 
assign (resid  46 and name n  )  (resid  46 and name ca )
       (resid  46 and name cb )  (resid  46 and name cg )  1.0  180.0   40.0 2
!!	E48 
assign (resid  48 and name n  )  (resid  48 and name ca )
       (resid  48 and name cb )  (resid  48 and name cg )  1.0  -60.0   40.0 2
!!	S50 
assign (resid  50 and name n  )  (resid  50 and name ca )
       (resid  50 and name cb )  (resid  50 and name og )  1.0   60.0   40.0 2
!!	K52 
assign (resid  52 and name n  )  (resid  52 and name ca )
       (resid  52 and name cb )  (resid  52 and name cg )  1.0  180.0   40.0 2
!!	K54 
assign (resid  54 and name n  )  (resid  54 and name ca )
       (resid  54 and name cb )  (resid  54 and name cg )  1.0  180.0   40.0 2
!!	Y57 
assign (resid  57 and name n  )  (resid  57 and name ca )
       (resid  57 and name cb )  (resid  57 and name cg )  1.0  -60.0   40.0 2
!!	E58 
assign (resid  58 and name n  )  (resid  58 and name ca )
       (resid  58 and name cb )  (resid  58 and name cg )  1.0   60.0   60.0 2 !
!!	Q59 
assign (resid  59 and name n  )  (resid  59 and name ca )
       (resid  59 and name cb )  (resid  59 and name cg )  1.0  -60.0   40.0 2
!!	K65 
assign (resid  65 and name n  )  (resid  65 and name ca )
       (resid  65 and name cb )  (resid  65 and name cg )  1.0  180.0   40.0 2
!!	E69 
assign (resid  69 and name n  )  (resid  69 and name ca )
       (resid  69 and name cb )  (resid  69 and name cg )  1.0  -60.0   40.0 2
!!	D71 
assign (resid  71 and name n  )  (resid  71 and name ca )
       (resid  71 and name cb )  (resid  71 and name cg )  1.0  -60.0   40.0 2
!!	R76 
!assign (resid  76 and name n  )  (resid  76 and name ca )
!       (resid  76 and name cb )  (resid  76 and name cg )  1.0  -60.0   40.0 2
 


!dipolar coupling constant restraints
!
!
! 1JNH derived restraints :    61
!

! N6   
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 6    and name N     )
       ( resid 6    and name HN    )  -20.06  0.96  0.96

! A7   
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    )  -3.39  0.22  0.22

! K9   
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 9    and name N     )
       ( resid 9    and name HN    )  19.48  0.83  0.83

! R10  
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    )  -5.17  1.43  1.43

! S13  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 13   and name N     )
       ( resid 13   and name HN    )  -7.34  1.43  1.43

! A14  
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    )  18.59  1.09  1.09

! F15  
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    )  17.29  1.42  1.42

! L17  
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    )  11.35  1.27  1.27

! F18  
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    )  -3.13  1.03  1.03

! C19  
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    )   8.03  0.52  0.52

! S20  
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    )  -2.52  1.14  1.14

! E21  
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    )  20.12  0.59  0.59

! H22  
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    )  13.55  0.24  0.24

! R23  
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    )  -16.18  2.79  2.79

! K25  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 25   and name N     )
       ( resid 25   and name HN    )  -1.56  0.98  0.98

! K27  
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    )  -15.77  0.15  0.15

! S28  
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    )  -11.66  0.38  0.38

! E29  
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    )  -17.57  2.17  2.17

! H30  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 30   and name N     )
       ( resid 30   and name HN    )  -2.86  0.25  0.25

! L33  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 33   and name N     )
       ( resid 33   and name HN    )  10.08  0.61  0.61

! S34  
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    )  -2.07  0.56  0.56

! D37  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 37   and name N     )
       ( resid 37   and name HN    )  -0.66  0.84  0.84

! T38  
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    )  -4.18  0.94  0.94

! A39  
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    )  -6.95  0.99  0.99

! K40  
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    )  -6.13  0.34  0.34

! 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    )   0.55  0.38  0.38

! L42  
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    )  -4.62  0.43  0.43

! G43  
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    )  -7.58  1.66  1.66

! E44  
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    )  -2.51  0.36  0.36

! M45  
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    )  -4.16  0.69  0.69

! W46  
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    )  -6.60  0.95  0.95

! S47  
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    )  -8.09  0.40  0.40

! E48  
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    )   6.07  1.06  1.06

! Q49  
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    )  -7.47  1.64  1.64

! S50  
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    )  18.85  0.95  0.95

! K52  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 52   and name N     )
       ( resid 52   and name HN    )  -9.96  1.67  1.67

! D53  
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    )   7.74  0.47  0.47

! K54  
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    )  13.01  1.08  1.08

! Q55  
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    )  -13.48  1.98  1.98

! Y57  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 57   and name N     )
       ( resid 57   and name HN    )  -8.20  1.20  1.20

! E58  
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    )  -17.00  0.61  0.61

! Q59  
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    )  -16.95  0.16  0.16

! K60  
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    )  -19.56  1.03  1.03

! A61  
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    )  -14.33  0.87  0.87

! 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    )  -17.01  0.87  0.87

! K63  
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    )  -12.87  0.61  0.61

! L64  
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    )  -19.77  2.43  2.43

! K65  
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    )  -16.46  2.38  2.38

! E66  
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    )  -17.40  1.48  1.48

! Y68  
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    )  -17.22  0.46  0.46

! E69  
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    )  -16.03  0.84  0.84

! K70  
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    )  -15.21  1.23  1.23

! D71  
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    )  -20.07  0.22  0.22

! I72  
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    )  -15.16  1.90  1.90

! A73  
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    )  -11.72  0.21  0.21

! 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    )  -14.98  0.51  0.51

! Y75  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 75   and name N     )
       ( resid 75   and name HN    )  -10.19  1.65  1.65

! R76  
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    )   0.36  0.23  0.23

! A77  
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    )   2.15  0.32  0.32

! K78  
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    )  -0.78  0.32  0.32

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1HT       MET   1  -6.035  18.863  -3.681
    2   2H    MET   1          2HT       MET   1  -7.464  17.954  -3.826
    3   3H    MET   1          3HT       MET   1  -6.787  18.240  -2.294
    4    HA   MET   1           HA       MET   1  -7.974  20.297  -4.091
    5   1HB   MET   1          2HB       MET   1  -8.827  18.730  -1.664
    6   2HB   MET   1          1HB       MET   1  -9.525  20.319  -1.979
    7   1HG   MET   1          2HG       MET   1 -10.243  19.580  -4.210
    8   2HG   MET   1          1HG       MET   1  -9.516  17.998  -3.931
    9   1HE   MET   1          1HE       MET   1 -11.716  16.110  -1.665
   10   2HE   MET   1          2HE       MET   1 -10.034  16.625  -1.751
   11   3HE   MET   1          3HE       MET   1 -10.849  16.060  -3.207
   12    H    LYS   2           H        LYS   2  -6.981  19.698  -0.694
   13    HA   LYS   2           HA       LYS   2  -6.069  22.540  -0.519
   14   1HB   LYS   2          2HB       LYS   2  -7.784  21.453   1.050
   15   2HB   LYS   2          1HB       LYS   2  -6.439  20.513   1.699
   16   1HG   LYS   2          2HG       LYS   2  -5.258  22.821   1.960
   17   2HG   LYS   2          1HG       LYS   2  -6.884  23.488   1.812
   18   1HD   LYS   2          2HD       LYS   2  -7.613  21.959   3.666
   19   2HD   LYS   2          1HD       LYS   2  -5.926  21.486   3.876
   20   1HE   LYS   2          2HE       LYS   2  -6.171  23.229   5.451
   21   2HE   LYS   2          1HE       LYS   2  -5.509  24.085   4.044
   22   1HZ   LYS   2          1HZ       LYS   2  -7.753  24.577   3.317
   23   2HZ   LYS   2          2HZ       LYS   2  -7.509  25.179   4.886
   24   3HZ   LYS   2          3HZ       LYS   2  -8.400  23.752   4.650
   25    H    LYS   3           H        LYS   3  -4.415  20.628  -1.918
   26    HA   LYS   3           HA       LYS   3  -2.137  20.275   0.005
   27   1HB   LYS   3          2HB       LYS   3  -3.333  18.286  -1.148
   28   2HB   LYS   3          1HB       LYS   3  -2.539  18.838  -2.622
   29   1HG   LYS   3          2HG       LYS   3  -0.345  18.742  -1.373
   30   2HG   LYS   3          1HG       LYS   3  -1.208  17.969  -0.043
   31   1HD   LYS   3          2HD       LYS   3  -1.363  16.886  -2.856
   32   2HD   LYS   3          1HD       LYS   3  -0.061  16.419  -1.761
   33   1HE   LYS   3          2HE       LYS   3  -1.507  15.297  -0.305
   34   2HE   LYS   3          1HE       LYS   3  -2.917  16.244  -0.819
   35   1HZ   LYS   3          1HZ       LYS   3  -1.427  14.310  -2.517
   36   2HZ   LYS   3          2HZ       LYS   3  -2.776  15.222  -3.001
   37   3HZ   LYS   3          3HZ       LYS   3  -2.940  14.024  -1.807
   38    H    ASP   4           H        ASP   4  -0.028  20.862  -0.778
   39    HA   ASP   4           HA       ASP   4  -0.060  22.718  -3.137
   40   1HB   ASP   4          2HB       ASP   4   1.125  22.743  -0.407
   41   2HB   ASP   4          1HB       ASP   4   2.123  23.424  -1.693
   42    HA   PRO   5           HA       PRO   5   3.082  20.281  -5.038
   43   1HB   PRO   5          2HB       PRO   5   4.921  22.097  -5.936
   44   2HB   PRO   5          1HB       PRO   5   3.321  21.894  -6.679
   45   1HG   PRO   5          2HG       PRO   5   4.271  23.969  -4.769
   46   2HG   PRO   5          1HG       PRO   5   3.190  24.127  -6.163
   47   1HD   PRO   5          2HD       PRO   5   2.315  24.033  -3.583
   48   2HD   PRO   5          1HD       PRO   5   1.344  23.491  -4.970
   49    H    ASN   6           H        ASN   6   4.188  22.622  -2.648
   50    HA   ASN   6           HA       ASN   6   6.807  21.360  -2.253
   51   1HB   ASN   6          2HB       ASN   6   5.177  23.524  -0.908
   52   2HB   ASN   6          1HB       ASN   6   6.742  23.011  -0.273
   53   1HD2  ASN   6          1HD2      ASN   6   5.246  25.098  -2.534
   54   2HD2  ASN   6          2HD2      ASN   6   6.632  25.509  -3.424
   55    H    ALA   7           H        ALA   7   3.587  21.111  -0.867
   56    HA   ALA   7           HA       ALA   7   4.152  19.930   1.657
   57   1HB   ALA   7          1HB       ALA   7   1.949  20.737   0.710
   58   2HB   ALA   7          2HB       ALA   7   1.857  19.172   1.518
   59   3HB   ALA   7          3HB       ALA   7   1.888  19.255  -0.244
   60    HA   PRO   8           HA       PRO   8   5.546  15.926   0.586
   61   1HB   PRO   8          2HB       PRO   8   4.703  14.446   2.705
   62   2HB   PRO   8          1HB       PRO   8   6.094  15.544   2.725
   63   1HG   PRO   8          2HG       PRO   8   3.476  15.861   3.959
   64   2HG   PRO   8          1HG       PRO   8   5.013  16.661   4.257
   65   1HD   PRO   8          2HD       PRO   8   2.786  17.713   2.842
   66   2HD   PRO   8          1HD       PRO   8   4.361  18.474   3.137
   67    H    LYS   9           H        LYS   9   4.868  13.891  -0.298
   68    HA   LYS   9           HA       LYS   9   2.292  13.820  -1.527
   69   1HB   LYS   9          2HB       LYS   9   4.521  11.849  -1.046
   70   2HB   LYS   9          1HB       LYS   9   3.047  11.351  -1.878
   71   1HG   LYS   9          2HG       LYS   9   4.598  13.801  -2.724
   72   2HG   LYS   9          1HG       LYS   9   4.977  12.198  -3.354
   73   1HD   LYS   9          2HD       LYS   9   2.478  12.022  -3.940
   74   2HD   LYS   9          1HD       LYS   9   2.410  13.761  -3.657
   75   1HE   LYS   9          2HE       LYS   9   4.451  12.532  -5.529
   76   2HE   LYS   9          1HE       LYS   9   2.849  13.057  -6.083
   77   1HZ   LYS   9          1HZ       LYS   9   4.764  14.744  -4.559
   78   2HZ   LYS   9          2HZ       LYS   9   3.247  15.231  -5.149
   79   3HZ   LYS   9          3HZ       LYS   9   4.501  14.850  -6.231
   80    H    ARG  10           H        ARG  10   0.499  12.448  -1.132
   81    HA   ARG  10           HA       ARG  10  -0.427  12.195   1.538
   82   1HB   ARG  10          2HB       ARG  10  -2.190  10.802   0.485
   83   2HB   ARG  10          1HB       ARG  10  -1.829  12.218  -0.498
   84   1HG   ARG  10          2HG       ARG  10  -0.200  10.724  -1.795
   85   2HG   ARG  10          1HG       ARG  10  -0.952   9.362  -0.964
   86   1HD   ARG  10          2HD       ARG  10  -3.200  10.267  -1.810
   87   2HD   ARG  10          1HD       ARG  10  -2.249  11.312  -2.885
   88    HE   ARG  10           HE       ARG  10  -1.077   9.017  -3.489
   89   1HH1  ARG  10          1HH1      ARG  10  -3.266   7.553  -1.940
   90   2HH1  ARG  10          2HH1      ARG  10  -4.341   7.110  -3.224
   91   1HH2  ARG  10          1HH2      ARG  10  -2.947   9.318  -5.507
   92   2HH2  ARG  10          2HH2      ARG  10  -4.160   8.110  -5.244
   93    HA   PRO  11           HA       PRO  11   1.425   8.478   3.019
   94   1HB   PRO  11          2HB       PRO  11  -0.584   7.316   4.463
   95   2HB   PRO  11          1HB       PRO  11   0.283   8.766   5.006
   96   1HG   PRO  11          2HG       PRO  11  -2.396   8.526   3.742
   97   2HG   PRO  11          1HG       PRO  11  -1.845   9.613   5.027
   98   1HD   PRO  11          2HD       PRO  11  -2.154  10.372   2.420
   99   2HD   PRO  11          1HD       PRO  11  -1.028  11.151   3.552
  100    HA   PRO  12           HA       PRO  12  -0.104   5.685  -0.228
  101   1HB   PRO  12          2HB       PRO  12   2.148   4.117  -0.332
  102   2HB   PRO  12          1HB       PRO  12   1.997   5.664  -1.187
  103   1HG   PRO  12          2HG       PRO  12   3.375   5.037   1.361
  104   2HG   PRO  12          1HG       PRO  12   3.852   6.142   0.069
  105   1HD   PRO  12          2HD       PRO  12   2.745   6.962   2.418
  106   2HD   PRO  12          1HD       PRO  12   2.577   7.853   0.890
  107    H    SER  13           H        SER  13  -0.831   3.520  -0.192
  108    HA   SER  13           HA       SER  13  -0.724   2.160   2.484
  109   1HB   SER  13          2HB       SER  13  -2.908   3.065   1.394
  110   2HB   SER  13          1HB       SER  13  -2.746   1.711   0.280
  111    HG   SER  13           HG       SER  13  -3.133   0.336   1.875
  112    H    ALA  14           H        ALA  14  -0.445  -0.210   2.411
  113    HA   ALA  14           HA       ALA  14   1.509  -1.181   0.587
  114   1HB   ALA  14          1HB       ALA  14   1.226  -3.189   1.741
  115   2HB   ALA  14          2HB       ALA  14  -0.520  -2.976   1.880
  116   3HB   ALA  14          3HB       ALA  14   0.569  -2.026   2.893
  117    H    PHE  15           H        PHE  15  -2.031  -1.771   0.596
  118    HA   PHE  15           HA       PHE  15  -2.117  -3.313  -1.814
  119   1HB   PHE  15          2HB       PHE  15  -3.932  -3.132  -0.129
  120   2HB   PHE  15          1HB       PHE  15  -4.172  -1.443  -0.578
  121    HD1  PHE  15           1HD      PHE  15  -3.668  -4.630  -2.508
  122    HD2  PHE  15           2HD      PHE  15  -6.098  -1.149  -1.854
  123    HE1  PHE  15           1HE      PHE  15  -5.164  -5.326  -4.360
  124    HE2  PHE  15           2HE      PHE  15  -7.595  -1.846  -3.705
  125    HZ   PHE  15           HZ       PHE  15  -7.127  -3.934  -4.959
  126    H    PHE  16           H        PHE  16  -1.871   0.142  -1.226
  127    HA   PHE  16           HA       PHE  16  -2.693   1.011  -3.864
  128   1HB   PHE  16          2HB       PHE  16  -2.529   2.297  -1.618
  129   2HB   PHE  16          1HB       PHE  16  -0.810   2.447  -1.982
  130    HD1  PHE  16           1HD      PHE  16  -0.058   4.196  -3.345
  131    HD2  PHE  16           2HD      PHE  16  -4.182   3.008  -3.517
  132    HE1  PHE  16           1HE      PHE  16  -0.542   6.096  -4.864
  133    HE2  PHE  16           2HE      PHE  16  -4.666   4.908  -5.036
  134    HZ   PHE  16           HZ       PHE  16  -2.847   6.453  -5.708
  135    H    LEU  17           H        LEU  17   0.421   0.112  -2.390
  136    HA   LEU  17           HA       LEU  17   2.085   0.953  -4.601
  137   1HB   LEU  17          2HB       LEU  17   2.269  -0.936  -2.261
  138   2HB   LEU  17          1HB       LEU  17   3.539  -0.964  -3.485
  139    HG   LEU  17           HG       LEU  17   3.624   1.597  -3.184
  140   1HD1  LEU  17          1HD1      LEU  17   2.905   2.387  -0.959
  141   2HD1  LEU  17          2HD1      LEU  17   2.194   0.807  -0.640
  142   3HD1  LEU  17          3HD1      LEU  17   1.536   1.828  -1.918
  143   1HD2  LEU  17          1HD2      LEU  17   5.471   0.352  -2.389
  144   2HD2  LEU  17          2HD2      LEU  17   4.518  -0.389  -1.103
  145   3HD2  LEU  17          3HD2      LEU  17   4.958   1.316  -1.005
  146    H    PHE  18           H        PHE  18   1.474  -2.396  -3.643
  147    HA   PHE  18           HA       PHE  18   1.936  -3.881  -5.885
  148   1HB   PHE  18          2HB       PHE  18   1.063  -4.829  -3.831
  149   2HB   PHE  18          1HB       PHE  18  -0.478  -4.003  -4.045
  150    HD1  PHE  18           1HD      PHE  18  -2.211  -4.963  -5.352
  151    HD2  PHE  18           2HD      PHE  18   1.749  -6.619  -5.504
  152    HE1  PHE  18           1HE      PHE  18  -3.072  -6.900  -6.637
  153    HE2  PHE  18           2HE      PHE  18   0.887  -8.557  -6.790
  154    HZ   PHE  18           HZ       PHE  18  -1.525  -8.700  -7.357
  155    H    CYS  19           H        CYS  19  -1.297  -2.296  -5.407
  156    HA   CYS  19           HA       CYS  19  -2.233  -2.900  -8.044
  157   1HB   CYS  19          2HB       CYS  19  -3.632  -2.300  -6.081
  158   2HB   CYS  19          1HB       CYS  19  -2.983  -0.664  -6.138
  159    HG   CYS  19           HG       CYS  19  -5.329  -0.955  -7.491
  160    H    SER  20           H        SER  20  -0.602  -0.031  -6.710
  161    HA   SER  20           HA       SER  20  -0.805   1.689  -8.954
  162   1HB   SER  20          2HB       SER  20   0.009   2.459  -6.819
  163   2HB   SER  20          1HB       SER  20   1.347   1.316  -6.852
  164    HG   SER  20           HG       SER  20   2.305   2.480  -8.438
  165    H    GLU  21           H        GLU  21   1.381  -1.055  -8.403
  166    HA   GLU  21           HA       GLU  21   2.945  -0.387 -10.824
  167   1HB   GLU  21          2HB       GLU  21   4.307  -2.320 -10.094
  168   2HB   GLU  21          1HB       GLU  21   4.060  -1.174  -8.780
  169   1HG   GLU  21          2HG       GLU  21   2.493  -2.562  -7.700
  170   2HG   GLU  21          1HG       GLU  21   2.208  -3.522  -9.152
  171    H    HIS  22           H        HIS  22   0.342  -2.589  -9.865
  172    HA   HIS  22           HA       HIS  22   0.614  -4.084 -12.430
  173   1HB   HIS  22          2HB       HIS  22  -0.971  -4.453  -9.873
  174   2HB   HIS  22          1HB       HIS  22  -1.167  -5.497 -11.280
  175    HD1  HIS  22           1HD      HIS  22   1.321  -6.472 -12.177
  176    HD2  HIS  22           2HD      HIS  22   0.944  -5.421  -8.163
  177    HE1  HIS  22           1HE      HIS  22   3.193  -7.655 -10.949
  178    H    ARG  23           H        ARG  23  -0.591  -1.214 -11.884
  179    HA   ARG  23           HA       ARG  23  -3.408  -1.550 -12.600
  180   1HB   ARG  23          2HB       ARG  23  -2.573   0.225 -11.101
  181   2HB   ARG  23          1HB       ARG  23  -1.626   0.898 -12.424
  182   1HG   ARG  23          2HG       ARG  23  -3.494   1.683 -13.553
  183   2HG   ARG  23          1HG       ARG  23  -4.557   0.464 -12.848
  184   1HD   ARG  23          2HD       ARG  23  -5.168   2.494 -11.752
  185   2HD   ARG  23          1HD       ARG  23  -4.105   1.676 -10.590
  186    HE   ARG  23           HE       ARG  23  -2.297   3.164 -11.253
  187   1HH1  ARG  23          1HH1      ARG  23  -5.043   4.773 -11.075
  188   2HH1  ARG  23          2HH1      ARG  23  -4.764   5.908 -12.353
  189   1HH2  ARG  23          1HH2      ARG  23  -2.046   4.185 -13.646
  190   2HH2  ARG  23          2HH2      ARG  23  -3.067   5.575 -13.809
  191    HA   PRO  24           HA       PRO  24  -1.893   0.193 -16.774
  192   1HB   PRO  24          2HB       PRO  24   0.762   0.054 -17.401
  193   2HB   PRO  24          1HB       PRO  24   0.028   1.459 -16.604
  194   1HG   PRO  24          2HG       PRO  24   1.663  -0.730 -15.453
  195   2HG   PRO  24          1HG       PRO  24   1.600   0.985 -15.019
  196   1HD   PRO  24          2HD       PRO  24   0.380  -1.032 -13.611
  197   2HD   PRO  24          1HD       PRO  24  -0.103   0.674 -13.557
  198    H    LYS  25           H        LYS  25  -0.950  -2.729 -15.303
  199    HA   LYS  25           HA       LYS  25  -0.267  -4.141 -17.805
  200   1HB   LYS  25          2HB       LYS  25   0.765  -4.488 -15.490
  201   2HB   LYS  25          1HB       LYS  25  -0.760  -5.244 -15.028
  202   1HG   LYS  25          2HG       LYS  25   0.351  -7.125 -15.753
  203   2HG   LYS  25          1HG       LYS  25  -0.321  -6.600 -17.297
  204   1HD   LYS  25          2HD       LYS  25   1.990  -6.998 -17.720
  205   2HD   LYS  25          1HD       LYS  25   1.830  -5.245 -17.604
  206   1HE   LYS  25          2HE       LYS  25   2.805  -5.175 -15.449
  207   2HE   LYS  25          1HE       LYS  25   2.525  -6.907 -15.173
  208   1HZ   LYS  25          1HZ       LYS  25   4.819  -6.539 -15.805
  209   2HZ   LYS  25          2HZ       LYS  25   4.335  -5.727 -17.217
  210   3HZ   LYS  25          3HZ       LYS  25   4.017  -7.386 -17.037
  211    H    ILE  26           H        ILE  26  -2.934  -3.944 -15.461
  212    HA   ILE  26           HA       ILE  26  -4.533  -6.037 -16.689
  213    HB   ILE  26           HB       ILE  26  -5.217  -3.745 -14.817
  214   1HG1  ILE  26          2HG1      ILE  26  -3.462  -5.251 -13.951
  215   2HG1  ILE  26          1HG1      ILE  26  -4.957  -5.447 -13.044
  216   1HG2  ILE  26          1HG2      ILE  26  -7.322  -4.451 -15.461
  217   2HG2  ILE  26          2HG2      ILE  26  -7.006  -5.617 -14.176
  218   3HG2  ILE  26          3HG2      ILE  26  -6.771  -6.077 -15.863
  219   1HD1  ILE  26          1HD1      ILE  26  -4.102  -7.656 -13.509
  220   2HD1  ILE  26          2HD1      ILE  26  -3.881  -7.268 -15.216
  221   3HD1  ILE  26          3HD1      ILE  26  -5.507  -7.409 -14.546
  222    H    LYS  27           H        LYS  27  -4.022  -2.653 -17.367
  223    HA   LYS  27           HA       LYS  27  -6.533  -2.248 -18.830
  224   1HB   LYS  27          2HB       LYS  27  -3.936  -0.744 -18.446
  225   2HB   LYS  27          1HB       LYS  27  -5.206  -0.143 -19.513
  226   1HG   LYS  27          2HG       LYS  27  -6.813  -0.223 -17.627
  227   2HG   LYS  27          1HG       LYS  27  -5.519  -0.774 -16.563
  228   1HD   LYS  27          2HD       LYS  27  -5.565   1.551 -16.190
  229   2HD   LYS  27          1HD       LYS  27  -4.259   1.355 -17.360
  230   1HE   LYS  27          2HE       LYS  27  -5.538   3.121 -18.282
  231   2HE   LYS  27          1HE       LYS  27  -6.159   1.699 -19.145
  232   1HZ   LYS  27          1HZ       LYS  27  -7.960   3.030 -18.177
  233   2HZ   LYS  27          2HZ       LYS  27  -7.295   2.805 -16.630
  234   3HZ   LYS  27          3HZ       LYS  27  -7.896   1.475 -17.500
  235    H    SER  28           H        SER  28  -3.417  -3.620 -19.554
  236    HA   SER  28           HA       SER  28  -3.423  -3.075 -22.418
  237   1HB   SER  28          2HB       SER  28  -1.408  -3.538 -21.018
  238   2HB   SER  28          1HB       SER  28  -1.991  -5.179 -20.759
  239    HG   SER  28           HG       SER  28  -1.479  -5.686 -22.761
  240    H    GLU  29           H        GLU  29  -4.121  -5.969 -20.433
  241    HA   GLU  29           HA       GLU  29  -5.181  -7.439 -22.758
  242   1HB   GLU  29          2HB       GLU  29  -4.801  -7.961 -19.806
  243   2HB   GLU  29          1HB       GLU  29  -5.627  -9.120 -20.849
  244   1HG   GLU  29          2HG       GLU  29  -2.893  -8.021 -21.522
  245   2HG   GLU  29          1HG       GLU  29  -3.106  -9.469 -20.538
  246    H    HIS  30           H        HIS  30  -6.487  -4.975 -21.047
  247    HA   HIS  30           HA       HIS  30  -9.251  -5.870 -21.569
  248   1HB   HIS  30          2HB       HIS  30  -8.295  -4.996 -18.817
  249   2HB   HIS  30          1HB       HIS  30  -9.961  -5.353 -19.256
  250    HD1  HIS  30           1HD      HIS  30 -10.648  -7.817 -19.472
  251    HD2  HIS  30           2HD      HIS  30  -6.598  -7.305 -18.655
  252    HE1  HIS  30           1HE      HIS  30  -9.751 -10.104 -18.850
  253    HA   PRO  31           HA       PRO  31  -8.338  -1.428 -22.464
  254   1HB   PRO  31          2HB       PRO  31  -9.873  -1.333 -24.740
  255   2HB   PRO  31          1HB       PRO  31  -8.175  -1.852 -24.737
  256   1HG   PRO  31          2HG       PRO  31 -10.658  -3.512 -24.733
  257   2HG   PRO  31          1HG       PRO  31  -9.163  -3.726 -25.662
  258   1HD   PRO  31          2HD       PRO  31  -9.681  -5.175 -23.444
  259   2HD   PRO  31          1HD       PRO  31  -8.032  -4.670 -23.880
  260    H    GLY  32           H        GLY  32  -9.600   0.007 -21.348
  261   1HA   GLY  32          2HA       GLY  32 -11.672   1.202 -20.961
  262   2HA   GLY  32          1HA       GLY  32 -12.559  -0.212 -21.534
  263    H    LEU  33           H        LEU  33 -10.617  -1.883 -19.782
  264    HA   LEU  33           HA       LEU  33 -12.266  -2.446 -17.599
  265   1HB   LEU  33          2HB       LEU  33 -10.076  -3.505 -18.596
  266   2HB   LEU  33          1HB       LEU  33  -9.264  -2.530 -17.379
  267    HG   LEU  33           HG       LEU  33  -9.720  -4.811 -16.553
  268   1HD1  LEU  33          1HD1      LEU  33 -10.645  -4.182 -14.445
  269   2HD1  LEU  33          2HD1      LEU  33 -11.536  -2.838 -15.159
  270   3HD1  LEU  33          3HD1      LEU  33  -9.777  -2.771 -15.048
  271   1HD2  LEU  33          1HD2      LEU  33 -11.859  -5.753 -16.449
  272   2HD2  LEU  33          2HD2      LEU  33 -11.917  -4.896 -17.989
  273   3HD2  LEU  33          3HD2      LEU  33 -12.662  -4.187 -16.558
  274    H    SER  34           H        SER  34 -13.053  -0.756 -16.360
  275    HA   SER  34           HA       SER  34 -11.706   1.600 -15.536
  276   1HB   SER  34          2HB       SER  34 -13.469   1.448 -13.648
  277   2HB   SER  34          1HB       SER  34 -14.063   1.452 -15.306
  278    HG   SER  34           HG       SER  34 -15.051  -0.259 -14.407
  279    H    ILE  35           H        ILE  35 -11.627   1.845 -12.851
  280    HA   ILE  35           HA       ILE  35  -9.349   0.112 -12.077
  281    HB   ILE  35           HB       ILE  35 -10.630   2.539 -10.777
  282   1HG1  ILE  35          2HG1      ILE  35  -9.742   3.046 -13.025
  283   2HG1  ILE  35          1HG1      ILE  35  -8.743   3.793 -11.781
  284   1HG2  ILE  35          1HG2      ILE  35  -9.369   1.567  -9.073
  285   2HG2  ILE  35          2HG2      ILE  35  -8.183   2.635  -9.822
  286   3HG2  ILE  35          3HG2      ILE  35  -8.174   0.911 -10.192
  287   1HD1  ILE  35          1HD1      ILE  35  -8.140   1.201 -13.240
  288   2HD1  ILE  35          2HD1      ILE  35  -7.159   1.878 -11.940
  289   3HD1  ILE  35          3HD1      ILE  35  -7.312   2.742 -13.469
  290    H    GLY  36           H        GLY  36 -12.434  -0.603 -11.982
  291   1HA   GLY  36          2HA       GLY  36 -12.618  -1.261  -9.086
  292   2HA   GLY  36          1HA       GLY  36 -13.961  -1.308 -10.228
  293    H    ASP  37           H        ASP  37 -13.131  -2.848 -12.258
  294    HA   ASP  37           HA       ASP  37 -13.261  -5.522 -11.247
  295   1HB   ASP  37          2HB       ASP  37 -12.562  -4.263 -13.900
  296   2HB   ASP  37          1HB       ASP  37 -12.613  -6.013 -13.696
  297    H    THR  38           H        THR  38 -10.495  -3.650 -12.564
  298    HA   THR  38           HA       THR  38  -8.579  -5.790 -12.219
  299    HB   THR  38           HB       THR  38  -8.288  -3.914 -13.790
  300    HG1  THR  38           1HG      THR  38  -6.372  -3.821 -11.706
  301   1HG2  THR  38          1HG2      THR  38  -9.247  -2.322 -11.786
  302   2HG2  THR  38          2HG2      THR  38  -8.399  -1.724 -13.210
  303   3HG2  THR  38          3HG2      THR  38  -7.520  -1.979 -11.702
  304    H    ALA  39           H        ALA  39  -9.834  -3.261 -10.141
  305    HA   ALA  39           HA       ALA  39  -7.804  -3.465  -8.066
  306   1HB   ALA  39          1HB       ALA  39  -9.084  -1.461  -8.192
  307   2HB   ALA  39          2HB       ALA  39  -9.722  -2.292  -6.773
  308   3HB   ALA  39          3HB       ALA  39 -10.605  -2.347  -8.298
  309    H    LYS  40           H        LYS  40 -10.748  -5.159  -8.884
  310    HA   LYS  40           HA       LYS  40 -11.075  -6.508  -6.306
  311   1HB   LYS  40          2HB       LYS  40 -12.235  -6.679  -9.084
  312   2HB   LYS  40          1HB       LYS  40 -12.595  -7.943  -7.908
  313   1HG   LYS  40          2HG       LYS  40 -13.558  -6.356  -6.377
  314   2HG   LYS  40          1HG       LYS  40 -12.993  -4.994  -7.346
  315   1HD   LYS  40          2HD       LYS  40 -15.282  -5.224  -7.923
  316   2HD   LYS  40          1HD       LYS  40 -14.410  -5.990  -9.253
  317   1HE   LYS  40          2HE       LYS  40 -14.673  -8.179  -7.818
  318   2HE   LYS  40          1HE       LYS  40 -15.998  -7.283  -7.047
  319   1HZ   LYS  40          1HZ       LYS  40 -15.638  -7.668  -9.973
  320   2HZ   LYS  40          2HZ       LYS  40 -16.890  -6.785  -9.240
  321   3HZ   LYS  40          3HZ       LYS  40 -16.785  -8.465  -9.011
  322    H    LYS  41           H        LYS  41  -9.740  -7.268  -9.503
  323    HA   LYS  41           HA       LYS  41  -8.992 -10.004  -8.912
  324   1HB   LYS  41          2HB       LYS  41  -8.400  -7.910 -10.973
  325   2HB   LYS  41          1HB       LYS  41  -7.352  -9.329 -10.914
  326   1HG   LYS  41          2HG       LYS  41  -9.321 -10.800 -11.100
  327   2HG   LYS  41          1HG       LYS  41 -10.374  -9.387 -11.153
  328   1HD   LYS  41          2HD       LYS  41  -9.655  -8.760 -13.280
  329   2HD   LYS  41          1HD       LYS  41  -8.117  -9.609 -13.120
  330   1HE   LYS  41          2HE       LYS  41  -9.066 -11.697 -13.603
  331   2HE   LYS  41          1HE       LYS  41 -10.692 -11.176 -13.119
  332   1HZ   LYS  41          1HZ       LYS  41  -9.168 -10.162 -15.460
  333   2HZ   LYS  41          2HZ       LYS  41 -10.703  -9.620 -14.976
  334   3HZ   LYS  41          3HZ       LYS  41 -10.497 -11.213 -15.528
  335    H    LEU  42           H        LEU  42  -7.054  -6.996  -9.103
  336    HA   LEU  42           HA       LEU  42  -4.545  -7.935  -8.278
  337   1HB   LEU  42          2HB       LEU  42  -6.091  -5.414  -8.223
  338   2HB   LEU  42          1HB       LEU  42  -4.731  -5.470  -7.104
  339    HG   LEU  42           HG       LEU  42  -3.245  -6.146  -8.978
  340   1HD1  LEU  42          1HD1      LEU  42  -4.001  -6.235 -11.219
  341   2HD1  LEU  42          2HD1      LEU  42  -5.520  -5.431 -10.827
  342   3HD1  LEU  42          3HD1      LEU  42  -5.247  -7.097 -10.316
  343   1HD2  LEU  42          1HD2      LEU  42  -4.635  -3.700  -9.962
  344   2HD2  LEU  42          2HD2      LEU  42  -2.921  -3.967  -9.640
  345   3HD2  LEU  42          3HD2      LEU  42  -4.036  -3.682  -8.304
  346    H    GLY  43           H        GLY  43  -7.168  -6.714  -6.154
  347   1HA   GLY  43          2HA       GLY  43  -5.859  -7.062  -3.670
  348   2HA   GLY  43          1HA       GLY  43  -7.612  -7.132  -3.879
  349    H    GLU  44           H        GLU  44  -7.340  -9.420  -5.795
  350    HA   GLU  44           HA       GLU  44  -7.452 -11.589  -3.850
  351   1HB   GLU  44          2HB       GLU  44  -8.702 -11.230  -6.112
  352   2HB   GLU  44          1HB       GLU  44  -7.228 -11.854  -6.853
  353   1HG   GLU  44          2HG       GLU  44  -8.568 -13.345  -4.604
  354   2HG   GLU  44          1HG       GLU  44  -9.107 -13.550  -6.271
  355    H    MET  45           H        MET  45  -5.141 -10.419  -6.270
  356    HA   MET  45           HA       MET  45  -3.241 -12.609  -5.832
  357   1HB   MET  45          2HB       MET  45  -3.078  -9.931  -7.262
  358   2HB   MET  45          1HB       MET  45  -1.879 -11.216  -7.394
  359   1HG   MET  45          2HG       MET  45  -3.493 -12.715  -8.387
  360   2HG   MET  45          1HG       MET  45  -4.804 -11.574  -8.087
  361   1HE   MET  45          1HE       MET  45  -4.765 -11.283 -11.853
  362   2HE   MET  45          2HE       MET  45  -5.756 -11.067 -10.413
  363   3HE   MET  45          3HE       MET  45  -4.908 -12.589 -10.668
  364    H    TRP  46           H        TRP  46  -3.640  -9.226  -4.814
  365    HA   TRP  46           HA       TRP  46  -1.135  -8.772  -3.536
  366   1HB   TRP  46          2HB       TRP  46  -2.789  -7.033  -3.937
  367   2HB   TRP  46          1HB       TRP  46  -3.966  -7.840  -2.910
  368    HD1  TRP  46           HD       TRP  46  -4.159  -6.596  -0.691
  369    HE1  TRP  46           1HE      TRP  46  -2.516  -5.439   0.927
  370    HE3  TRP  46           3HE      TRP  46   0.184  -7.214  -3.274
  371    HZ2  TRP  46           2HZ      TRP  46   0.289  -4.858   1.092
  372    HZ3  TRP  46           3HZ      TRP  46   2.327  -6.349  -2.375
  373    HH2  TRP  46           HH       TRP  46   2.379  -5.172  -0.201
  374    H    SER  47           H        SER  47  -4.192 -10.021  -2.115
  375    HA   SER  47           HA       SER  47  -3.071 -10.659   0.459
  376   1HB   SER  47          2HB       SER  47  -5.526 -10.367  -0.409
  377   2HB   SER  47          1HB       SER  47  -5.406 -12.076  -0.819
  378    HG   SER  47           HG       SER  47  -6.155 -11.985   1.251
  379    H    GLU  48           H        GLU  48  -2.616 -12.146  -2.597
  380    HA   GLU  48           HA       GLU  48  -2.009 -14.804  -1.406
  381   1HB   GLU  48          2HB       GLU  48  -2.621 -13.709  -4.155
  382   2HB   GLU  48          1HB       GLU  48  -1.913 -15.312  -3.951
  383   1HG   GLU  48          2HG       GLU  48  -4.347 -14.556  -2.360
  384   2HG   GLU  48          1HG       GLU  48  -4.525 -15.068  -4.040
  385    H    GLN  49           H        GLN  49  -0.497 -11.900  -2.472
  386    HA   GLN  49           HA       GLN  49   1.916 -12.990  -3.586
  387   1HB   GLN  49          2HB       GLN  49   0.760 -10.450  -2.963
  388   2HB   GLN  49          1HB       GLN  49   2.339 -10.493  -2.192
  389   1HG   GLN  49          2HG       GLN  49   2.590  -9.633  -4.446
  390   2HG   GLN  49          1HG       GLN  49   3.328 -11.232  -4.363
  391   1HE2  GLN  49          1HE2      GLN  49   0.073  -9.825  -5.061
  392   2HE2  GLN  49          2HE2      GLN  49  -0.257 -10.873  -6.351
  393    H    SER  50           H        SER  50   3.883 -13.407  -2.555
  394    HA   SER  50           HA       SER  50   3.730 -14.030   0.343
  395   1HB   SER  50          2HB       SER  50   5.691 -15.384  -0.156
  396   2HB   SER  50          1HB       SER  50   4.522 -15.654  -1.445
  397    HG   SER  50           HG       SER  50   6.908 -15.038  -1.870
  398    H    ALA  51           H        ALA  51   6.755 -13.704   0.465
  399    HA   ALA  51           HA       ALA  51   6.785 -10.902   1.282
  400   1HB   ALA  51          1HB       ALA  51   8.814 -13.146   1.100
  401   2HB   ALA  51          2HB       ALA  51   8.045 -12.496   2.549
  402   3HB   ALA  51          3HB       ALA  51   9.246 -11.538   1.683
  403    H    LYS  52           H        LYS  52   7.494 -12.605  -1.672
  404    HA   LYS  52           HA       LYS  52   9.501 -10.952  -2.829
  405   1HB   LYS  52          2HB       LYS  52   8.302 -13.189  -3.552
  406   2HB   LYS  52          1HB       LYS  52   7.221 -12.096  -4.418
  407   1HG   LYS  52          2HG       LYS  52   8.960 -12.663  -5.963
  408   2HG   LYS  52          1HG       LYS  52   9.309 -11.024  -5.414
  409   1HD   LYS  52          2HD       LYS  52  11.391 -11.909  -5.050
  410   2HD   LYS  52          1HD       LYS  52  10.655 -12.419  -3.531
  411   1HE   LYS  52          2HE       LYS  52  11.440 -14.480  -4.234
  412   2HE   LYS  52          1HE       LYS  52   9.895 -14.489  -5.108
  413   1HZ   LYS  52          1HZ       LYS  52  11.720 -14.906  -6.631
  414   2HZ   LYS  52          2HZ       LYS  52  12.484 -13.466  -6.152
  415   3HZ   LYS  52          3HZ       LYS  52  11.002 -13.410  -6.979
  416    H    ASP  53           H        ASP  53   5.925 -10.688  -3.093
  417    HA   ASP  53           HA       ASP  53   6.307  -7.799  -3.810
  418   1HB   ASP  53          2HB       ASP  53   4.718 -10.004  -5.036
  419   2HB   ASP  53          1HB       ASP  53   4.000  -8.393  -5.019
  420    H    LYS  54           H        LYS  54   6.078  -8.005  -1.313
  421    HA   LYS  54           HA       LYS  54   3.511  -6.927  -0.540
  422   1HB   LYS  54          2HB       LYS  54   3.518  -9.620  -0.775
  423   2HB   LYS  54          1HB       LYS  54   4.050  -9.461   0.893
  424   1HG   LYS  54          2HG       LYS  54   2.063  -7.805   1.139
  425   2HG   LYS  54          1HG       LYS  54   1.491  -8.498  -0.372
  426   1HD   LYS  54          2HD       LYS  54   0.455  -9.682   1.481
  427   2HD   LYS  54          1HD       LYS  54   1.586 -10.758   0.663
  428   1HE   LYS  54          2HE       LYS  54   3.170 -10.632   2.404
  429   2HE   LYS  54          1HE       LYS  54   2.489  -9.118   3.033
  430   1HZ   LYS  54          1HZ       LYS  54   1.240 -11.811   3.090
  431   2HZ   LYS  54          2HZ       LYS  54   0.399 -10.381   3.455
  432   3HZ   LYS  54          3HZ       LYS  54   1.709 -10.870   4.421
  433    H    GLN  55           H        GLN  55   6.558  -8.409   0.508
  434    HA   GLN  55           HA       GLN  55   6.515  -7.316   3.195
  435   1HB   GLN  55          2HB       GLN  55   8.367  -8.767   1.383
  436   2HB   GLN  55          1HB       GLN  55   9.121  -7.854   2.689
  437   1HG   GLN  55          2HG       GLN  55   6.863  -9.838   3.083
  438   2HG   GLN  55          1HG       GLN  55   8.569 -10.216   3.325
  439   1HE2  GLN  55          1HE2      GLN  55   5.779  -8.727   4.772
  440   2HE2  GLN  55          2HE2      GLN  55   6.544  -8.187   6.188
  441    HA   PRO  56           HA       PRO  56   9.497  -4.015   1.480
  442   1HB   PRO  56          2HB       PRO  56   9.816  -3.763  -1.223
  443   2HB   PRO  56          1HB       PRO  56  10.831  -4.816  -0.220
  444   1HG   PRO  56          2HG       PRO  56   8.548  -5.513  -1.985
  445   2HG   PRO  56          1HG       PRO  56  10.050  -6.397  -1.676
  446   1HD   PRO  56          2HD       PRO  56   7.637  -7.030  -0.557
  447   2HD   PRO  56          1HD       PRO  56   9.206  -7.437   0.168
  448    H    TYR  57           H        TYR  57   6.369  -4.671   0.270
  449    HA   TYR  57           HA       TYR  57   5.921  -1.937  -0.780
  450   1HB   TYR  57          2HB       TYR  57   4.339  -4.500  -0.582
  451   2HB   TYR  57          1HB       TYR  57   3.572  -2.990  -1.070
  452    HD1  TYR  57           1HD      TYR  57   5.400  -1.613  -2.748
  453    HD2  TYR  57           2HD      TYR  57   4.790  -5.846  -2.422
  454    HE1  TYR  57           1HE      TYR  57   6.270  -1.913  -5.049
  455    HE2  TYR  57           2HE      TYR  57   5.661  -6.151  -4.723
  456    HH   TYR  57           HH       TYR  57   5.945  -4.854  -6.765
  457    H    GLU  58           H        GLU  58   5.047  -3.942   2.030
  458    HA   GLU  58           HA       GLU  58   3.263  -1.882   3.131
  459   1HB   GLU  58          2HB       GLU  58   3.076  -3.505   4.987
  460   2HB   GLU  58          1HB       GLU  58   2.876  -4.306   3.432
  461   1HG   GLU  58          2HG       GLU  58   4.483  -5.744   4.103
  462   2HG   GLU  58          1HG       GLU  58   5.624  -4.422   3.875
  463    H    GLN  59           H        GLN  59   6.642  -2.804   3.408
  464    HA   GLN  59           HA       GLN  59   7.124  -1.234   5.846
  465   1HB   GLN  59          2HB       GLN  59   8.948  -2.538   3.801
  466   2HB   GLN  59          1HB       GLN  59   9.471  -1.889   5.355
  467   1HG   GLN  59          2HG       GLN  59   8.298  -3.534   6.576
  468   2HG   GLN  59          1HG       GLN  59   7.288  -3.962   5.194
  469   1HE2  GLN  59          1HE2      GLN  59  10.855  -3.550   5.249
  470   2HE2  GLN  59          2HE2      GLN  59  11.199  -5.147   4.784
  471    H    LYS  60           H        LYS  60   6.565  -0.395   2.638
  472    HA   LYS  60           HA       LYS  60   8.430   1.938   2.689
  473   1HB   LYS  60          2HB       LYS  60   8.404   0.339   0.749
  474   2HB   LYS  60          1HB       LYS  60   6.719   0.777   0.462
  475   1HG   LYS  60          2HG       LYS  60   7.477   3.185   0.277
  476   2HG   LYS  60          1HG       LYS  60   9.138   2.594   0.310
  477   1HD   LYS  60          2HD       LYS  60   8.808   1.323  -1.709
  478   2HD   LYS  60          1HD       LYS  60   7.071   1.630  -1.683
  479   1HE   LYS  60          2HE       LYS  60   7.348   3.917  -2.258
  480   2HE   LYS  60          1HE       LYS  60   9.072   3.897  -1.834
  481   1HZ   LYS  60          1HZ       LYS  60   9.454   2.287  -3.594
  482   2HZ   LYS  60          2HZ       LYS  60   8.763   3.703  -4.232
  483   3HZ   LYS  60          3HZ       LYS  60   7.810   2.313  -4.011
  484    H    ALA  61           H        ALA  61   5.062   0.965   2.800
  485    HA   ALA  61           HA       ALA  61   4.144   3.777   2.531
  486   1HB   ALA  61          1HB       ALA  61   1.922   2.200   2.809
  487   2HB   ALA  61          2HB       ALA  61   3.069   1.053   2.119
  488   3HB   ALA  61          3HB       ALA  61   2.689   2.545   1.259
  489    H    ALA  62           H        ALA  62   4.259   1.059   4.771
  490    HA   ALA  62           HA       ALA  62   2.637   2.213   6.861
  491   1HB   ALA  62          1HB       ALA  62   3.264  -0.193   6.622
  492   2HB   ALA  62          2HB       ALA  62   3.680   0.438   8.216
  493   3HB   ALA  62          3HB       ALA  62   4.936   0.226   6.996
  494    H    LYS  63           H        LYS  63   6.149   2.251   6.187
  495    HA   LYS  63           HA       LYS  63   6.751   3.893   8.542
  496   1HB   LYS  63          2HB       LYS  63   8.235   2.160   7.416
  497   2HB   LYS  63          1HB       LYS  63   8.434   3.306   6.090
  498   1HG   LYS  63          2HG       LYS  63   9.553   4.875   7.455
  499   2HG   LYS  63          1HG       LYS  63   8.986   4.116   8.943
  500   1HD   LYS  63          2HD       LYS  63  10.806   2.697   6.987
  501   2HD   LYS  63          1HD       LYS  63  11.422   3.661   8.330
  502   1HE   LYS  63          2HE       LYS  63   9.946   2.236   9.862
  503   2HE   LYS  63          1HE       LYS  63   9.727   1.154   8.473
  504   1HZ   LYS  63          1HZ       LYS  63  12.360   2.056   9.516
  505   2HZ   LYS  63          2HZ       LYS  63  12.099   0.950   8.253
  506   3HZ   LYS  63          3HZ       LYS  63  11.666   0.544   9.845
  507    H    LEU  64           H        LEU  64   5.324   4.593   5.565
  508    HA   LEU  64           HA       LEU  64   6.515   7.325   5.398
  509   1HB   LEU  64          2HB       LEU  64   5.328   5.333   3.554
  510   2HB   LEU  64          1HB       LEU  64   4.856   7.000   3.234
  511    HG   LEU  64           HG       LEU  64   6.885   6.397   1.966
  512   1HD1  LEU  64          1HD1      LEU  64   7.792   8.244   4.164
  513   2HD1  LEU  64          2HD1      LEU  64   6.481   8.719   3.083
  514   3HD1  LEU  64          3HD1      LEU  64   8.079   8.361   2.427
  515   1HD2  LEU  64          1HD2      LEU  64   8.764   5.461   2.909
  516   2HD2  LEU  64          2HD2      LEU  64   7.570   4.840   4.049
  517   3HD2  LEU  64          3HD2      LEU  64   8.518   6.270   4.458
  518    H    LYS  65           H        LYS  65   3.611   5.550   6.198
  519    HA   LYS  65           HA       LYS  65   1.762   7.796   5.961
  520   1HB   LYS  65          2HB       LYS  65   1.111   5.419   5.753
  521   2HB   LYS  65          1HB       LYS  65   1.621   5.126   7.416
  522   1HG   LYS  65          2HG       LYS  65  -0.043   7.021   8.036
  523   2HG   LYS  65          1HG       LYS  65  -0.711   6.765   6.424
  524   1HD   LYS  65          2HD       LYS  65  -0.684   4.226   7.156
  525   2HD   LYS  65          1HD       LYS  65  -0.689   4.914   8.781
  526   1HE   LYS  65          2HE       LYS  65  -2.987   4.773   8.358
  527   2HE   LYS  65          1HE       LYS  65  -2.650   6.412   7.768
  528   1HZ   LYS  65          1HZ       LYS  65  -2.274   5.522   5.564
  529   2HZ   LYS  65          2HZ       LYS  65  -3.824   5.082   6.100
  530   3HZ   LYS  65          3HZ       LYS  65  -2.563   3.944   6.113
  531    H    GLU  66           H        GLU  66   3.421   6.136   8.661
  532    HA   GLU  66           HA       GLU  66   2.362   7.788  10.765
  533   1HB   GLU  66          2HB       GLU  66   4.770   6.006  10.388
  534   2HB   GLU  66          1HB       GLU  66   4.525   6.880  11.902
  535   1HG   GLU  66          2HG       GLU  66   2.409   5.802  12.277
  536   2HG   GLU  66          1HG       GLU  66   2.411   5.105  10.657
  537    H    LYS  67           H        LYS  67   5.240   8.054   8.706
  538    HA   LYS  67           HA       LYS  67   6.430  10.301  10.088
  539   1HB   LYS  67          2HB       LYS  67   7.454   8.602   8.454
  540   2HB   LYS  67          1HB       LYS  67   6.724   9.562   7.168
  541   1HG   LYS  67          2HG       LYS  67   8.774  10.615   7.291
  542   2HG   LYS  67          1HG       LYS  67   7.900  11.556   8.500
  543   1HD   LYS  67          2HD       LYS  67   9.935  10.934   9.561
  544   2HD   LYS  67          1HD       LYS  67   8.723   9.828  10.211
  545   1HE   LYS  67          2HE       LYS  67   9.406   8.143   8.472
  546   2HE   LYS  67          1HE       LYS  67  10.724   9.235   8.002
  547   1HZ   LYS  67          1HZ       LYS  67  11.448   7.648   9.698
  548   2HZ   LYS  67          2HZ       LYS  67  10.238   8.210  10.750
  549   3HZ   LYS  67          3HZ       LYS  67  11.504   9.240  10.281
  550    H    TYR  68           H        TYR  68   3.818  10.014   7.797
  551    HA   TYR  68           HA       TYR  68   3.918  12.705   6.702
  552   1HB   TYR  68          2HB       TYR  68   2.765  10.517   5.889
  553   2HB   TYR  68          1HB       TYR  68   1.474  10.955   7.002
  554    HD1  TYR  68           1HD      TYR  68  -0.325  11.970   5.950
  555    HD2  TYR  68           2HD      TYR  68   3.651  12.819   4.563
  556    HE1  TYR  68           1HE      TYR  68  -1.248  13.522   4.252
  557    HE2  TYR  68           2HE      TYR  68   2.725  14.373   2.866
  558    HH   TYR  68           HH       TYR  68  -0.519  14.445   2.017
  559    H    GLU  69           H        GLU  69   2.456  11.203   9.522
  560    HA   GLU  69           HA       GLU  69   0.592  13.252  10.241
  561   1HB   GLU  69          2HB       GLU  69   2.173  11.252  11.894
  562   2HB   GLU  69          1HB       GLU  69   0.779  12.156  12.489
  563   1HG   GLU  69          2HG       GLU  69  -0.440  11.189  10.394
  564   2HG   GLU  69          1HG       GLU  69   0.872  10.009  10.381
  565    H    LYS  70           H        LYS  70   4.082  12.923  10.841
  566    HA   LYS  70           HA       LYS  70   4.099  15.335  12.569
  567   1HB   LYS  70          2HB       LYS  70   6.192  13.357  11.601
  568   2HB   LYS  70          1HB       LYS  70   6.549  14.707  12.678
  569   1HG   LYS  70          2HG       LYS  70   5.397  13.776  14.459
  570   2HG   LYS  70          1HG       LYS  70   4.310  12.863  13.413
  571   1HD   LYS  70          2HD       LYS  70   6.372  11.495  12.729
  572   2HD   LYS  70          1HD       LYS  70   7.184  12.239  14.107
  573   1HE   LYS  70          2HE       LYS  70   6.312  10.287  15.078
  574   2HE   LYS  70          1HE       LYS  70   5.009  11.446  15.409
  575   1HZ   LYS  70          1HZ       LYS  70   3.945  10.797  13.340
  576   2HZ   LYS  70          2HZ       LYS  70   4.145   9.442  14.347
  577   3HZ   LYS  70          3HZ       LYS  70   5.182   9.681  13.022
  578    H    ASP  71           H        ASP  71   5.054  14.195   9.384
  579    HA   ASP  71           HA       ASP  71   6.564  16.472   8.498
  580   1HB   ASP  71          2HB       ASP  71   5.200  14.094   7.388
  581   2HB   ASP  71          1HB       ASP  71   5.346  15.431   6.257
  582    H    ILE  72           H        ILE  72   3.180  15.563   7.817
  583    HA   ILE  72           HA       ILE  72   2.321  17.934   6.554
  584    HB   ILE  72           HB       ILE  72   1.009  15.804   8.253
  585   1HG1  ILE  72          2HG1      ILE  72   1.868  15.195   6.032
  586   2HG1  ILE  72          1HG1      ILE  72   0.110  15.097   6.079
  587   1HG2  ILE  72          1HG2      ILE  72  -0.279  18.247   7.056
  588   2HG2  ILE  72          2HG2      ILE  72  -0.573  17.494   8.623
  589   3HG2  ILE  72          3HG2      ILE  72  -1.176  16.731   7.152
  590   1HD1  ILE  72          1HD1      ILE  72   0.169  16.379   4.203
  591   2HD1  ILE  72          2HD1      ILE  72   1.842  16.858   4.482
  592   3HD1  ILE  72          3HD1      ILE  72   0.533  17.715   5.294
  593    H    ALA  73           H        ALA  73   2.343  17.165  10.052
  594    HA   ALA  73           HA       ALA  73   1.100  19.578  10.968
  595   1HB   ALA  73          1HB       ALA  73   1.409  17.585  12.354
  596   2HB   ALA  73          2HB       ALA  73   2.245  18.940  13.112
  597   3HB   ALA  73          3HB       ALA  73   3.162  17.728  12.218
  598    H    ALA  74           H        ALA  74   4.575  18.730  10.939
  599    HA   ALA  74           HA       ALA  74   5.637  21.255  11.625
  600   1HB   ALA  74          1HB       ALA  74   6.901  19.146  11.529
  601   2HB   ALA  74          2HB       ALA  74   7.690  20.365  10.528
  602   3HB   ALA  74          3HB       ALA  74   6.717  19.102   9.775
  603    H    TYR  75           H        TYR  75   4.574  20.026   8.483
  604    HA   TYR  75           HA       TYR  75   5.529  22.398   7.029
  605   1HB   TYR  75          2HB       TYR  75   4.971  19.761   6.425
  606   2HB   TYR  75          1HB       TYR  75   3.572  20.598   5.756
  607    HD1  TYR  75           1HD      TYR  75   7.311  20.715   5.848
  608    HD2  TYR  75           2HD      TYR  75   3.734  21.710   3.688
  609    HE1  TYR  75           1HE      TYR  75   8.682  21.467   3.924
  610    HE2  TYR  75           2HE      TYR  75   5.107  22.460   1.762
  611    HH   TYR  75           HH       TYR  75   7.790  23.388   1.671
  612    H    ARG  76           H        ARG  76   2.649  21.384   8.705
  613    HA   ARG  76           HA       ARG  76   0.670  22.933   7.337
  614   1HB   ARG  76          2HB       ARG  76   0.246  21.147   9.003
  615   2HB   ARG  76          1HB       ARG  76   0.913  22.175  10.270
  616   1HG   ARG  76          2HG       ARG  76  -0.838  23.872   9.784
  617   2HG   ARG  76          1HG       ARG  76  -1.528  22.787   8.577
  618   1HD   ARG  76          2HD       ARG  76  -1.546  21.056  10.583
  619   2HD   ARG  76          1HD       ARG  76  -1.537  22.532  11.568
  620    HE   ARG  76           HE       ARG  76  -3.468  23.201   9.851
  621   1HH1  ARG  76          1HH2      ARG  76  -3.253  20.065   9.339
  622   2HH1  ARG  76          2HH2      ARG  76  -4.690  19.566  10.167
  623   1HH2  ARG  76          1HH1      ARG  76  -5.139  22.604  11.776
  624   2HH2  ARG  76          2HH1      ARG  76  -5.757  21.002  11.547
  625    H    ALA  77           H        ALA  77   2.050  23.765  10.543
  626    HA   ALA  77           HA       ALA  77   2.665  26.510   9.697
  627   1HB   ALA  77          1HB       ALA  77   0.267  26.667   9.928
  628   2HB   ALA  77          2HB       ALA  77   0.972  27.430  11.354
  629   3HB   ALA  77          3HB       ALA  77   0.305  25.801  11.464
  630    H    LYS  78           H        LYS  78   4.538  24.910  10.685
  631    HA   LYS  78           HA       LYS  78   4.741  24.629  13.532
  632   1HB   LYS  78          2HB       LYS  78   7.144  24.262  12.998
  633   2HB   LYS  78          1HB       LYS  78   6.090  23.387  11.889
  634   1HG   LYS  78          2HG       LYS  78   7.375  24.369  10.280
  635   2HG   LYS  78          1HG       LYS  78   6.340  25.767  10.574
  636   1HD   LYS  78          2HD       LYS  78   8.012  26.438  12.394
  637   2HD   LYS  78          1HD       LYS  78   9.088  25.220  11.708
  638   1HE   LYS  78          2HE       LYS  78   8.593  26.429   9.430
  639   2HE   LYS  78          1HE       LYS  78   8.116  27.786  10.470
  640   1HZ   LYS  78          1HZ       LYS  78  10.494  27.848   9.992
  641   2HZ   LYS  78          2HZ       LYS  78  10.681  26.292  10.647
  642   3HZ   LYS  78          3HZ       LYS  78  10.216  27.587  11.644
  Start of MODEL    2
    1   1H    MET   1          1HT       MET   1  -9.905  18.697  -2.395
    2   2H    MET   1          2HT       MET   1 -10.220  18.747  -0.726
    3   3H    MET   1          3HT       MET   1  -9.488  17.376  -1.414
    4    HA   MET   1           HA       MET   1  -8.274  20.090  -1.226
    5   1HB   MET   1          2HB       MET   1  -8.678  18.402   0.784
    6   2HB   MET   1          1HB       MET   1  -7.292  17.572   0.076
    7   1HG   MET   1          2HG       MET   1  -7.202  20.539   0.589
    8   2HG   MET   1          1HG       MET   1  -6.844  19.392   1.880
    9   1HE   MET   1          1HE       MET   1  -4.073  20.415   1.967
   10   2HE   MET   1          2HE       MET   1  -5.146  21.516   1.106
   11   3HE   MET   1          3HE       MET   1  -3.589  21.086   0.404
   12    H    LYS   2           H        LYS   2  -6.603  20.377  -2.653
   13    HA   LYS   2           HA       LYS   2  -5.787  18.084  -4.371
   14   1HB   LYS   2          2HB       LYS   2  -6.616  20.400  -5.162
   15   2HB   LYS   2          1HB       LYS   2  -5.040  21.001  -4.644
   16   1HG   LYS   2          2HG       LYS   2  -5.064  18.560  -6.355
   17   2HG   LYS   2          1HG       LYS   2  -5.463  20.092  -7.133
   18   1HD   LYS   2          2HD       LYS   2  -3.373  21.080  -6.270
   19   2HD   LYS   2          1HD       LYS   2  -2.971  19.550  -5.490
   20   1HE   LYS   2          2HE       LYS   2  -2.525  18.477  -7.517
   21   2HE   LYS   2          1HE       LYS   2  -3.556  19.585  -8.443
   22   1HZ   LYS   2          1HZ       LYS   2  -1.069  20.395  -7.035
   23   2HZ   LYS   2          2HZ       LYS   2  -2.026  21.366  -8.050
   24   3HZ   LYS   2          3HZ       LYS   2  -1.152  20.058  -8.695
   25    H    LYS   3           H        LYS   3  -3.648  17.359  -4.428
   26    HA   LYS   3           HA       LYS   3  -1.892  18.207  -2.196
   27   1HB   LYS   3          2HB       LYS   3  -2.273  15.886  -4.002
   28   2HB   LYS   3          1HB       LYS   3  -0.605  16.199  -3.519
   29   1HG   LYS   3          2HG       LYS   3  -1.581  14.708  -1.883
   30   2HG   LYS   3          1HG       LYS   3  -1.398  16.292  -1.128
   31   1HD   LYS   3          2HD       LYS   3  -3.752  16.804  -1.555
   32   2HD   LYS   3          1HD       LYS   3  -3.955  15.266  -2.396
   33   1HE   LYS   3          2HE       LYS   3  -4.764  14.841  -0.194
   34   2HE   LYS   3          1HE       LYS   3  -3.112  14.189  -0.175
   35   1HZ   LYS   3          1HZ       LYS   3  -2.320  16.319   0.656
   36   2HZ   LYS   3          2HZ       LYS   3  -3.477  15.661   1.713
   37   3HZ   LYS   3          3HZ       LYS   3  -3.903  16.929   0.665
   38    H    ASP   4           H        ASP   4  -0.085  19.458  -2.508
   39    HA   ASP   4           HA       ASP   4   0.555  20.345  -5.279
   40   1HB   ASP   4          2HB       ASP   4   0.764  21.373  -2.502
   41   2HB   ASP   4          1HB       ASP   4   2.074  21.846  -3.585
   42    HA   PRO   5           HA       PRO   5   4.413  18.220  -5.390
   43   1HB   PRO   5          2HB       PRO   5   6.211  20.085  -6.276
   44   2HB   PRO   5          1HB       PRO   5   4.974  19.361  -7.323
   45   1HG   PRO   5          2HG       PRO   5   4.998  22.015  -5.980
   46   2HG   PRO   5          1HG       PRO   5   4.414  21.569  -7.591
   47   1HD   PRO   5          2HD       PRO   5   2.771  21.973  -5.452
   48   2HD   PRO   5          1HD       PRO   5   2.374  20.894  -6.807
   49    H    ASN   6           H        ASN   6   4.395  21.274  -3.631
   50    HA   ASN   6           HA       ASN   6   6.903  20.849  -2.214
   51   1HB   ASN   6          2HB       ASN   6   4.498  22.658  -1.955
   52   2HB   ASN   6          1HB       ASN   6   5.795  22.699  -0.760
   53   1HD2  ASN   6          1HD2      ASN   6   4.993  23.412  -4.132
   54   2HD2  ASN   6          2HD2      ASN   6   6.423  24.257  -4.481
   55    H    ALA   7           H        ALA   7   3.486  20.160  -1.565
   56    HA   ALA   7           HA       ALA   7   3.873  19.331   1.199
   57   1HB   ALA   7          1HB       ALA   7   1.727  20.121   0.443
   58   2HB   ALA   7          2HB       ALA   7   1.537  18.402   0.789
   59   3HB   ALA   7          3HB       ALA   7   1.698  18.953  -0.878
   60    HA   PRO   8           HA       PRO   8   5.101  15.196   0.502
   61   1HB   PRO   8          2HB       PRO   8   3.929  13.859   2.557
   62   2HB   PRO   8          1HB       PRO   8   5.373  14.876   2.703
   63   1HG   PRO   8          2HG       PRO   8   2.636  15.400   3.573
   64   2HG   PRO   8          1HG       PRO   8   4.175  16.092   4.068
   65   1HD   PRO   8          2HD       PRO   8   2.260  17.294   2.380
   66   2HD   PRO   8          1HD       PRO   8   3.872  17.902   2.803
   67    H    LYS   9           H        LYS   9   4.446  13.347  -0.618
   68    HA   LYS   9           HA       LYS   9   1.967  13.308  -1.993
   69   1HB   LYS   9          2HB       LYS   9   4.067  11.230  -1.351
   70   2HB   LYS   9          1HB       LYS   9   2.694  10.869  -2.398
   71   1HG   LYS   9          2HG       LYS   9   3.494  12.147  -4.112
   72   2HG   LYS   9          1HG       LYS   9   4.132  13.383  -3.027
   73   1HD   LYS   9          2HD       LYS   9   6.019  12.310  -4.072
   74   2HD   LYS   9          1HD       LYS   9   5.962  11.755  -2.399
   75   1HE   LYS   9          2HE       LYS   9   6.174   9.695  -3.437
   76   2HE   LYS   9          1HE       LYS   9   4.409   9.854  -3.545
   77   1HZ   LYS   9          1HZ       LYS   9   5.557   9.408  -5.714
   78   2HZ   LYS   9          2HZ       LYS   9   6.267  10.946  -5.585
   79   3HZ   LYS   9          3HZ       LYS   9   4.578  10.793  -5.697
   80    H    ARG  10           H        ARG  10   0.252  11.666  -1.835
   81    HA   ARG  10           HA       ARG  10  -1.012  11.533   0.713
   82   1HB   ARG  10          2HB       ARG  10  -2.506   9.908  -0.450
   83   2HB   ARG  10          1HB       ARG  10  -2.174  11.327  -1.440
   84   1HG   ARG  10          2HG       ARG  10  -0.707  10.153  -2.856
   85   2HG   ARG  10          1HG       ARG  10  -0.457   8.862  -1.680
   86   1HD   ARG  10          2HD       ARG  10  -1.934   8.073  -3.492
   87   2HD   ARG  10          1HD       ARG  10  -2.856   8.185  -1.980
   88    HE   ARG  10           HE       ARG  10  -3.220  10.678  -3.007
   89   1HH1  ARG  10          1HH1      ARG  10  -2.612   9.758  -5.744
   90   2HH1  ARG  10          2HH1      ARG  10  -4.153   9.219  -6.324
   91   1HH2  ARG  10          1HH2      ARG  10  -5.571   9.025  -3.166
   92   2HH2  ARG  10          2HH2      ARG  10  -5.828   8.804  -4.864
   93    HA   PRO  11           HA       PRO  11   1.113   8.135   2.563
   94   1HB   PRO  11          2HB       PRO  11  -0.718   7.382   4.443
   95   2HB   PRO  11          1HB       PRO  11   0.261   8.856   4.582
   96   1HG   PRO  11          2HG       PRO  11  -2.579   8.540   3.803
   97   2HG   PRO  11          1HG       PRO  11  -1.788   9.848   4.690
   98   1HD   PRO  11          2HD       PRO  11  -2.502   9.939   2.018
   99   2HD   PRO  11          1HD       PRO  11  -1.295  10.988   2.793
  100    HA   PRO  12           HA       PRO  12  -0.866   4.803   0.214
  101   1HB   PRO  12          2HB       PRO  12   1.201   3.018   0.394
  102   2HB   PRO  12          1HB       PRO  12   1.184   4.358  -0.770
  103   1HG   PRO  12          2HG       PRO  12   2.590   4.139   1.844
  104   2HG   PRO  12          1HG       PRO  12   3.145   4.851   0.321
  105   1HD   PRO  12          2HD       PRO  12   2.237   6.328   2.417
  106   2HD   PRO  12          1HD       PRO  12   2.099   6.848   0.722
  107    H    SER  13           H        SER  13  -0.536   2.120   0.898
  108    HA   SER  13           HA       SER  13  -0.659   1.698   3.782
  109   1HB   SER  13          2HB       SER  13  -3.080   1.243   3.847
  110   2HB   SER  13          1HB       SER  13  -2.773   2.896   3.324
  111    HG   SER  13           HG       SER  13  -3.599   0.653   1.839
  112    H    ALA  14           H        ALA  14   0.814   0.367   1.698
  113    HA   ALA  14           HA       ALA  14   1.392  -1.833   1.152
  114   1HB   ALA  14          1HB       ALA  14   0.765  -3.388   2.686
  115   2HB   ALA  14          2HB       ALA  14  -0.949  -3.147   2.347
  116   3HB   ALA  14          3HB       ALA  14  -0.115  -2.079   3.475
  117    H    PHE  15           H        PHE  15  -2.200  -2.057   1.233
  118    HA   PHE  15           HA       PHE  15  -2.435  -3.385  -1.260
  119   1HB   PHE  15          2HB       PHE  15  -4.192  -3.174   0.481
  120   2HB   PHE  15          1HB       PHE  15  -4.352  -1.459   0.100
  121    HD1  PHE  15           1HD      PHE  15  -4.075  -4.607  -1.938
  122    HD2  PHE  15           2HD      PHE  15  -6.269  -1.001  -1.140
  123    HE1  PHE  15           1HE      PHE  15  -5.641  -5.151  -3.782
  124    HE2  PHE  15           2HE      PHE  15  -7.836  -1.546  -2.985
  125    HZ   PHE  15           HZ       PHE  15  -7.522  -3.621  -4.308
  126    H    PHE  16           H        PHE  16  -1.902   0.010  -0.571
  127    HA   PHE  16           HA       PHE  16  -2.782   0.988  -3.168
  128   1HB   PHE  16          2HB       PHE  16  -2.423   2.131  -0.788
  129   2HB   PHE  16          1HB       PHE  16  -0.804   2.421  -1.426
  130    HD1  PHE  16           1HD      PHE  16  -0.622   3.503  -3.768
  131    HD2  PHE  16           2HD      PHE  16  -4.211   3.531  -1.409
  132    HE1  PHE  16           1HE      PHE  16  -1.486   5.405  -5.104
  133    HE2  PHE  16           2HE      PHE  16  -5.076   5.433  -2.745
  134    HZ   PHE  16           HZ       PHE  16  -3.712   6.370  -4.593
  135    H    LEU  17           H        LEU  17   0.285  -0.128  -1.797
  136    HA   LEU  17           HA       LEU  17   2.009   0.788  -3.926
  137   1HB   LEU  17          2HB       LEU  17   2.052  -1.359  -1.807
  138   2HB   LEU  17          1HB       LEU  17   3.325  -1.325  -3.023
  139    HG   LEU  17           HG       LEU  17   3.986  -0.079  -0.991
  140   1HD1  LEU  17          1HD1      LEU  17   4.868   1.805  -2.103
  141   2HD1  LEU  17          2HD1      LEU  17   3.472   1.936  -3.173
  142   3HD1  LEU  17          3HD1      LEU  17   4.629   0.623  -3.389
  143   1HD2  LEU  17          1HD2      LEU  17   1.675   0.624  -0.345
  144   2HD2  LEU  17          2HD2      LEU  17   1.683   1.770  -1.687
  145   3HD2  LEU  17          3HD2      LEU  17   2.818   1.967  -0.354
  146    H    PHE  18           H        PHE  18   1.247  -2.601  -3.306
  147    HA   PHE  18           HA       PHE  18   1.607  -3.880  -5.677
  148   1HB   PHE  18          2HB       PHE  18   0.746  -4.927  -3.658
  149   2HB   PHE  18          1HB       PHE  18  -0.786  -4.074  -3.822
  150    HD1  PHE  18           1HD      PHE  18  -2.523  -4.920  -5.202
  151    HD2  PHE  18           2HD      PHE  18   1.407  -6.640  -5.407
  152    HE1  PHE  18           1HE      PHE  18  -3.410  -6.781  -6.576
  153    HE2  PHE  18           2HE      PHE  18   0.519  -8.503  -6.785
  154    HZ   PHE  18           HZ       PHE  18  -1.894  -8.577  -7.365
  155    H    CYS  19           H        CYS  19  -1.585  -2.280  -4.998
  156    HA   CYS  19           HA       CYS  19  -2.616  -2.607  -7.635
  157   1HB   CYS  19          2HB       CYS  19  -3.905  -2.040  -5.583
  158   2HB   CYS  19          1HB       CYS  19  -3.147  -0.449  -5.565
  159    HG   CYS  19           HG       CYS  19  -4.357  -0.611  -8.220
  160    H    SER  20           H        SER  20  -0.896   0.146  -6.152
  161    HA   SER  20           HA       SER  20  -0.996   1.950  -8.337
  162   1HB   SER  20          2HB       SER  20   0.927   1.449  -6.072
  163   2HB   SER  20          1HB       SER  20   1.234   2.732  -7.239
  164    HG   SER  20           HG       SER  20  -0.444   3.820  -6.502
  165    H    GLU  21           H        GLU  21   1.181  -0.806  -7.772
  166    HA   GLU  21           HA       GLU  21   2.831  -0.082 -10.113
  167   1HB   GLU  21          2HB       GLU  21   4.156  -2.037  -9.381
  168   2HB   GLU  21          1HB       GLU  21   3.844  -0.936  -8.041
  169   1HG   GLU  21          2HG       GLU  21   2.238  -2.366  -7.080
  170   2HG   GLU  21          1HG       GLU  21   2.009  -3.264  -8.578
  171    H    HIS  22           H        HIS  22   0.191  -2.312  -9.336
  172    HA   HIS  22           HA       HIS  22   0.581  -3.734 -11.925
  173   1HB   HIS  22          2HB       HIS  22  -1.101  -4.176  -9.446
  174   2HB   HIS  22          1HB       HIS  22  -1.244  -5.181 -10.886
  175    HD1  HIS  22           1HD      HIS  22   1.280  -6.123 -11.721
  176    HD2  HIS  22           2HD      HIS  22   0.756  -5.186  -7.694
  177    HE1  HIS  22           1HE      HIS  22   3.110  -7.336 -10.460
  178    H    ARG  23           H        ARG  23  -0.658  -0.880 -11.386
  179    HA   ARG  23           HA       ARG  23  -3.438  -1.244 -12.249
  180   1HB   ARG  23          2HB       ARG  23  -2.755   0.493 -10.647
  181   2HB   ARG  23          1HB       ARG  23  -1.712   1.221 -11.861
  182   1HG   ARG  23          2HG       ARG  23  -3.469   2.112 -13.043
  183   2HG   ARG  23          1HG       ARG  23  -4.553   0.783 -12.630
  184   1HD   ARG  23          2HD       ARG  23  -5.377   2.690 -11.422
  185   2HD   ARG  23          1HD       ARG  23  -4.503   1.718 -10.221
  186    HE   ARG  23           HE       ARG  23  -2.486   3.259 -11.022
  187   1HH1  ARG  23          1HH1      ARG  23  -4.581   4.019  -8.799
  188   2HH1  ARG  23          2HH1      ARG  23  -4.796   5.695  -9.177
  189   1HH2  ARG  23          1HH2      ARG  23  -3.280   5.464 -12.287
  190   2HH2  ARG  23          2HH2      ARG  23  -4.060   6.514 -11.151
  191    HA   PRO  24           HA       PRO  24  -1.734   0.622 -16.288
  192   1HB   PRO  24          2HB       PRO  24   0.957   0.611 -16.751
  193   2HB   PRO  24          1HB       PRO  24   0.117   1.963 -15.968
  194   1HG   PRO  24          2HG       PRO  24   1.786  -0.172 -14.773
  195   2HG   PRO  24          1HG       PRO  24   1.600   1.520 -14.294
  196   1HD   PRO  24          2HD       PRO  24   0.403  -0.625 -13.043
  197   2HD   PRO  24          1HD       PRO  24  -0.144   1.058 -12.931
  198    H    LYS  25           H        LYS  25  -0.710  -2.278 -14.803
  199    HA   LYS  25           HA       LYS  25   0.190  -3.625 -17.263
  200   1HB   LYS  25          2HB       LYS  25   1.047  -4.007 -14.897
  201   2HB   LYS  25          1HB       LYS  25  -0.508  -4.760 -14.537
  202   1HG   LYS  25          2HG       LYS  25  -0.144  -6.511 -16.105
  203   2HG   LYS  25          1HG       LYS  25   1.202  -5.658 -16.860
  204   1HD   LYS  25          2HD       LYS  25   2.553  -5.920 -14.845
  205   2HD   LYS  25          1HD       LYS  25   1.198  -6.673 -14.004
  206   1HE   LYS  25          2HE       LYS  25   1.250  -8.592 -15.472
  207   2HE   LYS  25          1HE       LYS  25   2.431  -7.804 -16.539
  208   1HZ   LYS  25          1HZ       LYS  25   3.531  -9.290 -14.968
  209   2HZ   LYS  25          2HZ       LYS  25   2.851  -8.440 -13.664
  210   3HZ   LYS  25          3HZ       LYS  25   3.974  -7.678 -14.685
  211    H    ILE  26           H        ILE  26  -2.671  -3.513 -15.166
  212    HA   ILE  26           HA       ILE  26  -4.127  -5.615 -16.548
  213    HB   ILE  26           HB       ILE  26  -5.022  -3.337 -14.745
  214   1HG1  ILE  26          2HG1      ILE  26  -3.336  -4.783 -13.686
  215   2HG1  ILE  26          1HG1      ILE  26  -4.914  -5.041 -12.951
  216   1HG2  ILE  26          1HG2      ILE  26  -6.405  -5.755 -15.866
  217   2HG2  ILE  26          2HG2      ILE  26  -7.023  -4.117 -15.646
  218   3HG2  ILE  26          3HG2      ILE  26  -6.843  -5.185 -14.255
  219   1HD1  ILE  26          1HD1      ILE  26  -4.526  -7.246 -13.327
  220   2HD1  ILE  26          2HD1      ILE  26  -3.236  -6.910 -14.482
  221   3HD1  ILE  26          3HD1      ILE  26  -4.919  -6.884 -15.008
  222    H    LYS  27           H        LYS  27  -3.510  -2.269 -17.234
  223    HA   LYS  27           HA       LYS  27  -5.932  -1.797 -18.809
  224   1HB   LYS  27          2HB       LYS  27  -3.283  -0.368 -18.434
  225   2HB   LYS  27          1HB       LYS  27  -4.609   0.284 -19.400
  226   1HG   LYS  27          2HG       LYS  27  -6.089   0.250 -17.455
  227   2HG   LYS  27          1HG       LYS  27  -4.826  -0.501 -16.479
  228   1HD   LYS  27          2HD       LYS  27  -4.372   1.659 -15.886
  229   2HD   LYS  27          1HD       LYS  27  -3.481   1.670 -17.408
  230   1HE   LYS  27          2HE       LYS  27  -5.342   2.673 -18.581
  231   2HE   LYS  27          1HE       LYS  27  -6.404   2.464 -17.174
  232   1HZ   LYS  27          1HZ       LYS  27  -3.857   3.982 -17.071
  233   2HZ   LYS  27          2HZ       LYS  27  -5.085   3.933 -15.898
  234   3HZ   LYS  27          3HZ       LYS  27  -5.353   4.719 -17.380
  235    H    SER  28           H        SER  28  -2.854  -3.296 -19.395
  236    HA   SER  28           HA       SER  28  -2.720  -2.766 -22.259
  237   1HB   SER  28          2HB       SER  28  -1.394  -4.685 -20.332
  238   2HB   SER  28          1HB       SER  28  -1.014  -4.677 -22.052
  239    HG   SER  28           HG       SER  28   0.148  -2.968 -21.722
  240    H    GLU  29           H        GLU  29  -3.649  -5.615 -20.292
  241    HA   GLU  29           HA       GLU  29  -4.640  -7.033 -22.687
  242   1HB   GLU  29          2HB       GLU  29  -4.338  -7.626 -19.741
  243   2HB   GLU  29          1HB       GLU  29  -5.159  -8.747 -20.827
  244   1HG   GLU  29          2HG       GLU  29  -2.394  -7.679 -21.418
  245   2HG   GLU  29          1HG       GLU  29  -2.650  -9.144 -20.470
  246    H    HIS  30           H        HIS  30  -5.964  -4.598 -20.908
  247    HA   HIS  30           HA       HIS  30  -8.724  -5.488 -21.521
  248   1HB   HIS  30          2HB       HIS  30  -7.811  -4.621 -18.756
  249   2HB   HIS  30          1HB       HIS  30  -9.469  -4.989 -19.217
  250    HD1  HIS  30           1HD      HIS  30 -10.125  -7.462 -19.473
  251    HD2  HIS  30           2HD      HIS  30  -6.096  -6.912 -18.578
  252    HE1  HIS  30           1HE      HIS  30  -9.211  -9.745 -18.867
  253    HA   PRO  31           HA       PRO  31  -7.817  -1.027 -22.387
  254   1HB   PRO  31          2HB       PRO  31  -9.279  -0.946 -24.711
  255   2HB   PRO  31          1HB       PRO  31  -7.574  -1.440 -24.653
  256   1HG   PRO  31          2HG       PRO  31 -10.031  -3.138 -24.728
  257   2HG   PRO  31          1HG       PRO  31  -8.507  -3.322 -25.617
  258   1HD   PRO  31          2HD       PRO  31  -9.055  -4.794 -23.429
  259   2HD   PRO  31          1HD       PRO  31  -7.406  -4.246 -23.805
  260    H    GLY  32           H        GLY  32  -9.108   0.082 -20.955
  261   1HA   GLY  32          2HA       GLY  32 -11.210   1.372 -20.753
  262   2HA   GLY  32          1HA       GLY  32 -12.065  -0.038 -21.379
  263    H    LEU  33           H        LEU  33 -10.133  -1.700 -19.571
  264    HA   LEU  33           HA       LEU  33 -11.847  -2.364 -17.480
  265   1HB   LEU  33          2HB       LEU  33  -9.451  -3.184 -18.381
  266   2HB   LEU  33          1HB       LEU  33  -8.914  -2.326 -16.941
  267    HG   LEU  33           HG       LEU  33  -9.335  -4.707 -16.449
  268   1HD1  LEU  33          1HD1      LEU  33 -10.403  -4.331 -14.428
  269   2HD1  LEU  33          2HD1      LEU  33 -11.609  -3.262 -15.143
  270   3HD1  LEU  33          3HD1      LEU  33  -9.964  -2.682 -14.877
  271   1HD2  LEU  33          1HD2      LEU  33 -12.274  -4.265 -16.887
  272   2HD2  LEU  33          2HD2      LEU  33 -11.371  -5.779 -16.844
  273   3HD2  LEU  33          3HD2      LEU  33 -11.257  -4.724 -18.253
  274    H    SER  34           H        SER  34 -12.770  -0.914 -16.124
  275    HA   SER  34           HA       SER  34 -11.465   1.495 -15.154
  276   1HB   SER  34          2HB       SER  34 -13.583   1.345 -13.613
  277   2HB   SER  34          1HB       SER  34 -13.810   1.576 -15.342
  278    HG   SER  34           HG       SER  34 -14.507  -0.512 -13.743
  279    H    ILE  35           H        ILE  35 -12.007   1.578 -12.450
  280    HA   ILE  35           HA       ILE  35  -9.919  -0.195 -11.349
  281    HB   ILE  35           HB       ILE  35 -11.605   2.022 -10.136
  282   1HG1  ILE  35          2HG1      ILE  35 -10.227   2.806 -12.030
  283   2HG1  ILE  35          1HG1      ILE  35  -9.602   3.429 -10.505
  284   1HG2  ILE  35          1HG2      ILE  35  -9.248   0.428  -9.151
  285   2HG2  ILE  35          2HG2      ILE  35 -10.740   0.840  -8.304
  286   3HG2  ILE  35          3HG2      ILE  35  -9.512   2.076  -8.580
  287   1HD1  ILE  35          1HD1      ILE  35  -8.519   1.068 -12.074
  288   2HD1  ILE  35          2HD1      ILE  35  -7.948   1.543 -10.474
  289   3HD1  ILE  35          3HD1      ILE  35  -7.733   2.631 -11.845
  290    H    GLY  36           H        GLY  36 -12.999  -0.908 -12.007
  291   1HA   GLY  36          2HA       GLY  36 -13.830  -1.889  -9.352
  292   2HA   GLY  36          1HA       GLY  36 -14.772  -2.004 -10.840
  293    H    ASP  37           H        ASP  37 -13.538  -3.419 -12.583
  294    HA   ASP  37           HA       ASP  37 -13.400  -6.106 -11.589
  295   1HB   ASP  37          2HB       ASP  37 -12.502  -4.745 -14.143
  296   2HB   ASP  37          1HB       ASP  37 -12.453  -6.494 -13.928
  297    H    THR  38           H        THR  38 -10.835  -3.810 -12.567
  298    HA   THR  38           HA       THR  38  -8.598  -5.527 -12.135
  299    HB   THR  38           HB       THR  38  -9.071  -2.533 -12.102
  300    HG1  THR  38           1HG      THR  38  -7.955  -2.719 -14.056
  301   1HG2  THR  38          1HG2      THR  38  -6.645  -2.176 -12.078
  302   2HG2  THR  38          2HG2      THR  38  -6.369  -3.910 -11.912
  303   3HG2  THR  38          3HG2      THR  38  -7.132  -3.010 -10.602
  304    H    ALA  39           H        ALA  39 -10.453  -3.480  -9.901
  305    HA   ALA  39           HA       ALA  39  -8.708  -3.753  -7.617
  306   1HB   ALA  39          1HB       ALA  39 -10.888  -3.114  -6.426
  307   2HB   ALA  39          2HB       ALA  39 -11.652  -3.154  -8.014
  308   3HB   ALA  39          3HB       ALA  39 -10.353  -2.006  -7.690
  309    H    LYS  40           H        LYS  40 -11.242  -5.759  -9.007
  310    HA   LYS  40           HA       LYS  40 -11.499  -7.526  -6.689
  311   1HB   LYS  40          2HB       LYS  40 -12.447  -7.446  -9.550
  312   2HB   LYS  40          1HB       LYS  40 -12.707  -8.888  -8.569
  313   1HG   LYS  40          2HG       LYS  40 -13.921  -7.598  -6.902
  314   2HG   LYS  40          1HG       LYS  40 -13.564  -6.097  -7.758
  315   1HD   LYS  40          2HD       LYS  40 -14.999  -6.621  -9.542
  316   2HD   LYS  40          1HD       LYS  40 -14.991  -8.344  -9.164
  317   1HE   LYS  40          2HE       LYS  40 -16.185  -7.767  -6.990
  318   2HE   LYS  40          1HE       LYS  40 -16.399  -6.131  -7.643
  319   1HZ   LYS  40          1HZ       LYS  40 -17.217  -8.649  -8.995
  320   2HZ   LYS  40          2HZ       LYS  40 -17.417  -7.079  -9.614
  321   3HZ   LYS  40          3HZ       LYS  40 -18.272  -7.566  -8.228
  322    H    LYS  41           H        LYS  41  -9.551  -7.395  -9.622
  323    HA   LYS  41           HA       LYS  41  -8.579 -10.170  -9.306
  324   1HB   LYS  41          2HB       LYS  41  -9.081  -8.754 -11.461
  325   2HB   LYS  41          1HB       LYS  41  -7.475  -8.084 -11.173
  326   1HG   LYS  41          2HG       LYS  41  -6.432 -10.205 -11.389
  327   2HG   LYS  41          1HG       LYS  41  -7.965 -11.064 -11.228
  328   1HD   LYS  41          2HD       LYS  41  -7.617 -11.151 -13.536
  329   2HD   LYS  41          1HD       LYS  41  -8.631  -9.716 -13.380
  330   1HE   LYS  41          2HE       LYS  41  -6.443  -8.372 -13.219
  331   2HE   LYS  41          1HE       LYS  41  -5.636  -9.843 -13.801
  332   1HZ   LYS  41          1HZ       LYS  41  -7.947  -8.516 -15.120
  333   2HZ   LYS  41          2HZ       LYS  41  -7.150  -9.911 -15.672
  334   3HZ   LYS  41          3HZ       LYS  41  -6.338  -8.419 -15.647
  335    H    LEU  42           H        LEU  42  -7.585  -6.907  -8.503
  336    HA   LEU  42           HA       LEU  42  -4.765  -7.549  -8.057
  337   1HB   LEU  42          2HB       LEU  42  -6.608  -5.257  -7.952
  338   2HB   LEU  42          1HB       LEU  42  -5.356  -5.203  -6.714
  339    HG   LEU  42           HG       LEU  42  -3.633  -5.549  -8.460
  340   1HD1  LEU  42          1HD1      LEU  42  -5.993  -6.115 -10.071
  341   2HD1  LEU  42          2HD1      LEU  42  -4.299  -6.437 -10.428
  342   3HD1  LEU  42          3HD1      LEU  42  -4.998  -4.868 -10.823
  343   1HD2  LEU  42          1HD2      LEU  42  -4.495  -3.277  -7.716
  344   2HD2  LEU  42          2HD2      LEU  42  -5.463  -3.254  -9.190
  345   3HD2  LEU  42          3HD2      LEU  42  -3.702  -3.305  -9.291
  346    H    GLY  43           H        GLY  43  -7.315  -6.422  -5.795
  347   1HA   GLY  43          2HA       GLY  43  -6.011  -7.072  -3.393
  348   2HA   GLY  43          1HA       GLY  43  -7.769  -7.046  -3.568
  349    H    GLU  44           H        GLU  44  -7.656  -9.178  -5.658
  350    HA   GLU  44           HA       GLU  44  -7.843 -11.497  -3.914
  351   1HB   GLU  44          2HB       GLU  44  -9.183 -11.087  -5.996
  352   2HB   GLU  44          1HB       GLU  44  -7.707 -11.270  -6.944
  353   1HG   GLU  44          2HG       GLU  44  -7.427 -13.563  -6.025
  354   2HG   GLU  44          1HG       GLU  44  -8.950 -13.378  -5.155
  355    H    MET  45           H        MET  45  -5.478 -10.219  -6.232
  356    HA   MET  45           HA       MET  45  -3.657 -12.500  -5.954
  357   1HB   MET  45          2HB       MET  45  -3.664  -9.801  -7.308
  358   2HB   MET  45          1HB       MET  45  -2.195 -10.776  -7.261
  359   1HG   MET  45          2HG       MET  45  -3.253 -12.584  -8.429
  360   2HG   MET  45          1HG       MET  45  -4.847 -11.849  -8.253
  361   1HE   MET  45          1HE       MET  45  -1.474 -11.918  -9.680
  362   2HE   MET  45          2HE       MET  45  -1.283 -10.185  -9.417
  363   3HE   MET  45          3HE       MET  45  -1.430 -10.810 -11.059
  364    H    TRP  46           H        TRP  46  -3.834  -9.128  -4.781
  365    HA   TRP  46           HA       TRP  46  -1.339  -8.890  -3.469
  366   1HB   TRP  46          2HB       TRP  46  -2.927  -7.066  -3.751
  367   2HB   TRP  46          1HB       TRP  46  -4.114  -7.874  -2.736
  368    HD1  TRP  46           HD       TRP  46  -4.180  -6.815  -0.420
  369    HE1  TRP  46           1HE      TRP  46  -2.456  -5.784   1.196
  370    HE3  TRP  46           3HE      TRP  46   0.034  -7.312  -3.225
  371    HZ2  TRP  46           2HZ      TRP  46   0.357  -5.244   1.277
  372    HZ3  TRP  46           3HZ      TRP  46   2.227  -6.538  -2.366
  373    HH2  TRP  46           HH       TRP  46   2.390  -5.508  -0.123
  374    H    SER  47           H        SER  47  -4.413 -10.206  -2.165
  375    HA   SER  47           HA       SER  47  -3.372 -10.947   0.408
  376   1HB   SER  47          2HB       SER  47  -5.787 -10.679  -0.393
  377   2HB   SER  47          1HB       SER  47  -5.619 -12.266  -1.138
  378    HG   SER  47           HG       SER  47  -5.226 -13.138   0.882
  379    H    GLU  48           H        GLU  48  -2.714 -12.262  -2.692
  380    HA   GLU  48           HA       GLU  48  -2.077 -14.951  -1.606
  381   1HB   GLU  48          2HB       GLU  48  -2.672 -13.722  -4.284
  382   2HB   GLU  48          1HB       GLU  48  -1.751 -15.224  -4.214
  383   1HG   GLU  48          2HG       GLU  48  -4.353 -14.906  -2.719
  384   2HG   GLU  48          1HG       GLU  48  -4.316 -15.429  -4.403
  385    H    GLN  49           H        GLN  49  -0.596 -11.933  -2.482
  386    HA   GLN  49           HA       GLN  49   1.908 -12.829  -3.511
  387   1HB   GLN  49          2HB       GLN  49   1.164 -10.437  -1.784
  388   2HB   GLN  49          1HB       GLN  49   2.662 -10.582  -2.697
  389   1HG   GLN  49          2HG       GLN  49  -0.125 -10.592  -3.885
  390   2HG   GLN  49          1HG       GLN  49   0.995  -9.235  -3.922
  391   1HE2  GLN  49          1HE2      GLN  49  -0.092 -10.735  -6.259
  392   2HE2  GLN  49          2HE2      GLN  49   1.254 -11.363  -7.076
  393    H    SER  50           H        SER  50   3.787 -13.466  -2.446
  394    HA   SER  50           HA       SER  50   3.487 -14.287   0.388
  395   1HB   SER  50          2HB       SER  50   5.443 -15.679  -0.145
  396   2HB   SER  50          1HB       SER  50   4.236 -15.856  -1.415
  397    HG   SER  50           HG       SER  50   6.099 -15.458  -2.477
  398    H    ALA  51           H        ALA  51   6.783 -13.861  -0.220
  399    HA   ALA  51           HA       ALA  51   6.747 -11.244   1.217
  400   1HB   ALA  51          1HB       ALA  51   9.176 -12.016   1.667
  401   2HB   ALA  51          2HB       ALA  51   8.674 -13.563   0.984
  402   3HB   ALA  51          3HB       ALA  51   7.885 -12.941   2.434
  403    H    LYS  52           H        LYS  52   7.395 -12.598  -1.880
  404    HA   LYS  52           HA       LYS  52   9.571 -10.853  -2.688
  405   1HB   LYS  52          2HB       LYS  52   8.558 -13.132  -3.624
  406   2HB   LYS  52          1HB       LYS  52   7.589 -12.030  -4.603
  407   1HG   LYS  52          2HG       LYS  52   9.444 -11.164  -5.714
  408   2HG   LYS  52          1HG       LYS  52  10.552 -11.597  -4.410
  409   1HD   LYS  52          2HD       LYS  52  11.020 -13.163  -6.129
  410   2HD   LYS  52          1HD       LYS  52   9.999 -14.045  -4.992
  411   1HE   LYS  52          2HE       LYS  52   9.014 -14.525  -7.096
  412   2HE   LYS  52          1HE       LYS  52   8.022 -13.184  -6.486
  413   1HZ   LYS  52          1HZ       LYS  52   8.821 -12.770  -8.757
  414   2HZ   LYS  52          2HZ       LYS  52  10.426 -12.883  -8.210
  415   3HZ   LYS  52          3HZ       LYS  52   9.423 -11.627  -7.658
  416    H    ASP  53           H        ASP  53   6.027 -10.792  -3.176
  417    HA   ASP  53           HA       ASP  53   6.274  -7.913  -3.996
  418   1HB   ASP  53          2HB       ASP  53   4.816 -10.267  -5.036
  419   2HB   ASP  53          1HB       ASP  53   3.868  -8.783  -4.955
  420    H    LYS  54           H        LYS  54   6.165  -8.164  -1.363
  421    HA   LYS  54           HA       LYS  54   3.606  -7.033  -0.597
  422   1HB   LYS  54          2HB       LYS  54   3.633  -9.737  -0.801
  423   2HB   LYS  54          1HB       LYS  54   4.145  -9.542   0.871
  424   1HG   LYS  54          2HG       LYS  54   2.143  -7.889   1.063
  425   2HG   LYS  54          1HG       LYS  54   1.584  -8.622  -0.436
  426   1HD   LYS  54          2HD       LYS  54   0.547  -9.764   1.441
  427   2HD   LYS  54          1HD       LYS  54   1.688 -10.854   0.655
  428   1HE   LYS  54          2HE       LYS  54   3.181 -10.797   2.432
  429   2HE   LYS  54          1HE       LYS  54   2.696  -9.159   2.915
  430   1HZ   LYS  54          1HZ       LYS  54   0.483 -10.112   3.478
  431   2HZ   LYS  54          2HZ       LYS  54   1.743 -10.671   4.471
  432   3HZ   LYS  54          3HZ       LYS  54   1.130 -11.661   3.234
  433    H    GLN  55           H        GLN  55   6.720  -8.408   0.402
  434    HA   GLN  55           HA       GLN  55   6.666  -7.324   3.097
  435   1HB   GLN  55          2HB       GLN  55   8.569  -8.692   1.258
  436   2HB   GLN  55          1HB       GLN  55   9.267  -7.803   2.610
  437   1HG   GLN  55          2HG       GLN  55   7.039  -9.833   2.915
  438   2HG   GLN  55          1HG       GLN  55   8.748 -10.223   3.117
  439   1HE2  GLN  55          1HE2      GLN  55   5.982  -9.042   4.755
  440   2HE2  GLN  55          2HE2      GLN  55   6.766  -8.466   6.147
  441    HA   PRO  56           HA       PRO  56   9.510  -3.942   1.297
  442   1HB   PRO  56          2HB       PRO  56   9.698  -3.645  -1.412
  443   2HB   PRO  56          1HB       PRO  56  10.779  -4.693  -0.474
  444   1HG   PRO  56          2HG       PRO  56   8.438  -5.406  -2.154
  445   2HG   PRO  56          1HG       PRO  56   9.963  -6.271  -1.912
  446   1HD   PRO  56          2HD       PRO  56   7.593  -6.938  -0.712
  447   2HD   PRO  56          1HD       PRO  56   9.193  -7.363  -0.072
  448    H    TYR  57           H        TYR  57   6.360  -4.670   0.141
  449    HA   TYR  57           HA       TYR  57   5.800  -1.927  -0.815
  450   1HB   TYR  57          2HB       TYR  57   4.275  -4.529  -0.608
  451   2HB   TYR  57          1HB       TYR  57   3.495  -3.030  -1.117
  452    HD1  TYR  57           1HD      TYR  57   5.378  -1.662  -2.780
  453    HD2  TYR  57           2HD      TYR  57   4.689  -5.892  -2.457
  454    HE1  TYR  57           1HE      TYR  57   6.270  -1.982  -5.071
  455    HE2  TYR  57           2HE      TYR  57   5.581  -6.208  -4.750
  456    HH   TYR  57           HH       TYR  57   7.270  -4.834  -6.271
  457    H    GLU  58           H        GLU  58   5.016  -4.022   1.960
  458    HA   GLU  58           HA       GLU  58   3.174  -2.087   3.148
  459   1HB   GLU  58          2HB       GLU  58   3.200  -3.715   5.012
  460   2HB   GLU  58          1HB       GLU  58   3.002  -4.532   3.464
  461   1HG   GLU  58          2HG       GLU  58   4.741  -5.834   4.095
  462   2HG   GLU  58          1HG       GLU  58   5.756  -4.434   3.760
  463    H    GLN  59           H        GLN  59   6.620  -2.710   3.281
  464    HA   GLN  59           HA       GLN  59   7.122  -1.235   5.749
  465   1HB   GLN  59          2HB       GLN  59   8.751  -2.349   3.462
  466   2HB   GLN  59          1HB       GLN  59   9.512  -1.382   4.727
  467   1HG   GLN  59          2HG       GLN  59   9.050  -2.955   6.393
  468   2HG   GLN  59          1HG       GLN  59   7.721  -3.674   5.483
  469   1HE2  GLN  59          1HE2      GLN  59  11.152  -3.004   4.575
  470   2HE2  GLN  59          2HE2      GLN  59  11.491  -4.600   4.106
  471    H    LYS  60           H        LYS  60   8.286  -0.517   2.438
  472    HA   LYS  60           HA       LYS  60   8.938   2.173   2.750
  473   1HB   LYS  60          2HB       LYS  60   9.328   0.706   0.771
  474   2HB   LYS  60          1HB       LYS  60   7.623   0.868   0.348
  475   1HG   LYS  60          2HG       LYS  60   8.104   3.439   0.479
  476   2HG   LYS  60          1HG       LYS  60   9.788   2.951   0.288
  477   1HD   LYS  60          2HD       LYS  60   9.033   1.588  -1.730
  478   2HD   LYS  60          1HD       LYS  60   7.487   2.427  -1.603
  479   1HE   LYS  60          2HE       LYS  60   8.640   3.819  -3.097
  480   2HE   LYS  60          1HE       LYS  60   9.037   4.589  -1.547
  481   1HZ   LYS  60          1HZ       LYS  60  10.652   2.490  -2.899
  482   2HZ   LYS  60          2HZ       LYS  60  11.020   3.217  -1.409
  483   3HZ   LYS  60          3HZ       LYS  60  11.043   4.139  -2.835
  484    H    ALA  61           H        ALA  61   5.704   0.807   2.545
  485    HA   ALA  61           HA       ALA  61   4.442   3.442   2.071
  486   1HB   ALA  61          1HB       ALA  61   3.758   1.087   1.177
  487   2HB   ALA  61          2HB       ALA  61   2.482   2.152   1.765
  488   3HB   ALA  61          3HB       ALA  61   3.079   0.846   2.786
  489    H    ALA  62           H        ALA  62   4.802   1.010   4.627
  490    HA   ALA  62           HA       ALA  62   3.108   2.174   6.606
  491   1HB   ALA  62          1HB       ALA  62   4.792   0.911   8.136
  492   2HB   ALA  62          2HB       ALA  62   5.576   0.434   6.630
  493   3HB   ALA  62          3HB       ALA  62   3.903  -0.032   6.939
  494    H    LYS  63           H        LYS  63   6.625   2.603   6.055
  495    HA   LYS  63           HA       LYS  63   7.052   4.509   8.161
  496   1HB   LYS  63          2HB       LYS  63   8.667   3.090   6.657
  497   2HB   LYS  63          1HB       LYS  63   8.571   4.465   5.558
  498   1HG   LYS  63          2HG       LYS  63  10.350   5.171   6.838
  499   2HG   LYS  63          1HG       LYS  63   9.036   5.811   7.827
  500   1HD   LYS  63          2HD       LYS  63   9.266   4.170   9.444
  501   2HD   LYS  63          1HD       LYS  63   9.921   2.993   8.305
  502   1HE   LYS  63          2HE       LYS  63  11.506   5.479   8.920
  503   2HE   LYS  63          1HE       LYS  63  11.550   4.104  10.043
  504   1HZ   LYS  63          1HZ       LYS  63  12.045   2.650   8.157
  505   2HZ   LYS  63          2HZ       LYS  63  13.242   3.840   8.348
  506   3HZ   LYS  63          3HZ       LYS  63  12.078   3.991   7.119
  507    H    LEU  64           H        LEU  64   6.767   5.050   4.629
  508    HA   LEU  64           HA       LEU  64   6.686   7.865   4.605
  509   1HB   LEU  64          2HB       LEU  64   5.554   5.656   2.912
  510   2HB   LEU  64          1HB       LEU  64   5.142   7.326   2.523
  511    HG   LEU  64           HG       LEU  64   7.986   6.359   2.899
  512   1HD1  LEU  64          1HD1      LEU  64   6.548   5.398   0.913
  513   2HD1  LEU  64          2HD1      LEU  64   8.174   6.003   0.601
  514   3HD1  LEU  64          3HD1      LEU  64   6.773   7.007   0.230
  515   1HD2  LEU  64          1HD2      LEU  64   8.376   8.507   1.548
  516   2HD2  LEU  64          2HD2      LEU  64   7.841   8.721   3.214
  517   3HD2  LEU  64          3HD2      LEU  64   6.691   8.900   1.889
  518    H    LYS  65           H        LYS  65   4.157   5.559   5.423
  519    HA   LYS  65           HA       LYS  65   1.963   7.475   5.406
  520   1HB   LYS  65          2HB       LYS  65   1.722   5.015   5.126
  521   2HB   LYS  65          1HB       LYS  65   2.317   4.781   6.770
  522   1HG   LYS  65          2HG       LYS  65   0.415   5.929   7.703
  523   2HG   LYS  65          1HG       LYS  65  -0.123   6.448   6.106
  524   1HD   LYS  65          2HD       LYS  65  -1.495   4.583   6.607
  525   2HD   LYS  65          1HD       LYS  65  -0.253   3.936   5.534
  526   1HE   LYS  65          2HE       LYS  65  -0.195   2.356   7.258
  527   2HE   LYS  65          1HE       LYS  65   1.019   3.510   7.846
  528   1HZ   LYS  65          1HZ       LYS  65  -1.880   3.609   8.492
  529   2HZ   LYS  65          2HZ       LYS  65  -0.685   4.664   9.080
  530   3HZ   LYS  65          3HZ       LYS  65  -0.678   3.027   9.535
  531    H    GLU  66           H        GLU  66   3.796   5.833   7.996
  532    HA   GLU  66           HA       GLU  66   2.704   7.299  10.196
  533   1HB   GLU  66          2HB       GLU  66   4.028   5.153  10.227
  534   2HB   GLU  66          1HB       GLU  66   5.479   6.104   9.904
  535   1HG   GLU  66          2HG       GLU  66   4.999   7.441  11.968
  536   2HG   GLU  66          1HG       GLU  66   3.657   6.348  12.315
  537    H    LYS  67           H        LYS  67   5.383   8.004   7.999
  538    HA   LYS  67           HA       LYS  67   6.392  10.278   9.533
  539   1HB   LYS  67          2HB       LYS  67   6.876   8.928   6.910
  540   2HB   LYS  67          1HB       LYS  67   7.464  10.581   7.096
  541   1HG   LYS  67          2HG       LYS  67   8.024   8.454   9.166
  542   2HG   LYS  67          1HG       LYS  67   9.079   8.695   7.773
  543   1HD   LYS  67          2HD       LYS  67   9.110  11.184   8.470
  544   2HD   LYS  67          1HD       LYS  67   8.466  10.621  10.012
  545   1HE   LYS  67          2HE       LYS  67  10.405   9.359  10.503
  546   2HE   LYS  67          1HE       LYS  67  10.939   9.363   8.810
  547   1HZ   LYS  67          1HZ       LYS  67  12.143  11.016  10.134
  548   2HZ   LYS  67          2HZ       LYS  67  10.675  11.774  10.532
  549   3HZ   LYS  67          3HZ       LYS  67  11.213  11.752   8.921
  550    H    TYR  68           H        TYR  68   3.859   9.805   7.192
  551    HA   TYR  68           HA       TYR  68   3.708  12.477   6.089
  552   1HB   TYR  68          2HB       TYR  68   2.699  10.336   5.217
  553   2HB   TYR  68          1HB       TYR  68   1.538  10.398   6.534
  554    HD1  TYR  68           1HD      TYR  68  -0.533  11.319   6.055
  555    HD2  TYR  68           2HD      TYR  68   2.910  12.680   3.878
  556    HE1  TYR  68           1HE      TYR  68  -1.984  12.787   4.682
  557    HE2  TYR  68           2HE      TYR  68   1.459  14.152   2.509
  558    HH   TYR  68           HH       TYR  68  -1.477  15.096   3.300
  559    H    GLU  69           H        GLU  69   2.367  10.895   8.917
  560    HA   GLU  69           HA       GLU  69   0.471  12.885   9.720
  561   1HB   GLU  69          2HB       GLU  69   2.101  10.848  11.273
  562   2HB   GLU  69          1HB       GLU  69   0.728  11.729  11.942
  563   1HG   GLU  69          2HG       GLU  69  -0.476  10.821   9.750
  564   2HG   GLU  69          1HG       GLU  69   0.769   9.576   9.867
  565    H    LYS  70           H        LYS  70   3.977  12.632  10.212
  566    HA   LYS  70           HA       LYS  70   3.971  14.968  12.044
  567   1HB   LYS  70          2HB       LYS  70   6.144  13.149  10.941
  568   2HB   LYS  70          1HB       LYS  70   6.399  14.392  12.167
  569   1HG   LYS  70          2HG       LYS  70   4.534  13.192  13.495
  570   2HG   LYS  70          1HG       LYS  70   4.799  11.844  12.389
  571   1HD   LYS  70          2HD       LYS  70   7.195  13.081  13.677
  572   2HD   LYS  70          1HD       LYS  70   6.165  12.048  14.670
  573   1HE   LYS  70          2HE       LYS  70   6.325  10.336  12.734
  574   2HE   LYS  70          1HE       LYS  70   7.696  11.314  12.170
  575   1HZ   LYS  70          1HZ       LYS  70   8.675  11.152  14.376
  576   2HZ   LYS  70          2HZ       LYS  70   8.434   9.603  13.720
  577   3HZ   LYS  70          3HZ       LYS  70   7.376  10.199  14.908
  578    H    ASP  71           H        ASP  71   4.916  13.971   8.798
  579    HA   ASP  71           HA       ASP  71   6.342  16.323   7.979
  580   1HB   ASP  71          2HB       ASP  71   5.023  13.952   6.804
  581   2HB   ASP  71          1HB       ASP  71   5.111  15.330   5.723
  582    H    ILE  72           H        ILE  72   2.985  15.344   7.293
  583    HA   ILE  72           HA       ILE  72   2.026  17.719   6.127
  584    HB   ILE  72           HB       ILE  72   0.818  15.511   7.805
  585   1HG1  ILE  72          2HG1      ILE  72   1.664  14.976   5.562
  586   2HG1  ILE  72          1HG1      ILE  72  -0.086  14.809   5.642
  587   1HG2  ILE  72          1HG2      ILE  72  -0.580  17.918   6.638
  588   2HG2  ILE  72          2HG2      ILE  72  -0.792  17.180   8.226
  589   3HG2  ILE  72          3HG2      ILE  72  -1.419  16.373   6.788
  590   1HD1  ILE  72          1HD1      ILE  72   0.294  15.973   3.611
  591   2HD1  ILE  72          2HD1      ILE  72   1.524  17.005   4.339
  592   3HD1  ILE  72          3HD1      ILE  72  -0.175  17.234   4.750
  593    H    ALA  73           H        ALA  73   2.167  16.866   9.597
  594    HA   ALA  73           HA       ALA  73   0.841  19.174  10.632
  595   1HB   ALA  73          1HB       ALA  73   1.322  17.201  11.969
  596   2HB   ALA  73          2HB       ALA  73   2.163  18.568  12.699
  597   3HB   ALA  73          3HB       ALA  73   3.056  17.404  11.719
  598    H    ALA  74           H        ALA  74   4.365  18.570  10.425
  599    HA   ALA  74           HA       ALA  74   5.209  21.203  11.113
  600   1HB   ALA  74          1HB       ALA  74   6.483  19.072   9.366
  601   2HB   ALA  74          2HB       ALA  74   6.653  19.221  11.115
  602   3HB   ALA  74          3HB       ALA  74   7.342  20.449  10.053
  603    H    TYR  75           H        TYR  75   4.421  19.762   7.961
  604    HA   TYR  75           HA       TYR  75   5.176  22.162   6.456
  605   1HB   TYR  75          2HB       TYR  75   4.909  19.498   5.922
  606   2HB   TYR  75          1HB       TYR  75   3.393  20.115   5.266
  607    HD1  TYR  75           1HD      TYR  75   3.348  21.184   3.167
  608    HD2  TYR  75           2HD      TYR  75   7.086  20.706   5.230
  609    HE1  TYR  75           1HE      TYR  75   4.556  22.035   1.175
  610    HE2  TYR  75           2HE      TYR  75   8.294  21.557   3.238
  611    HH   TYR  75           HH       TYR  75   7.256  23.278   1.058
  612    H    ARG  76           H        ARG  76   2.403  21.194   8.249
  613    HA   ARG  76           HA       ARG  76   0.263  22.321   6.738
  614   1HB   ARG  76          2HB       ARG  76   0.042  20.877   8.739
  615   2HB   ARG  76          1HB       ARG  76   0.684  22.172   9.745
  616   1HG   ARG  76          2HG       ARG  76  -1.215  23.541   9.389
  617   2HG   ARG  76          1HG       ARG  76  -1.743  22.589   8.001
  618   1HD   ARG  76          2HD       ARG  76  -1.557  21.371  10.766
  619   2HD   ARG  76          1HD       ARG  76  -3.026  22.189  10.198
  620    HE   ARG  76           HE       ARG  76  -1.984  20.268   8.265
  621   1HH1  ARG  76          1HH2      ARG  76  -4.795  21.197   9.595
  622   2HH1  ARG  76          2HH2      ARG  76  -5.403  19.621   9.978
  623   1HH2  ARG  76          1HH1      ARG  76  -2.380  18.025   9.396
  624   2HH2  ARG  76          2HH1      ARG  76  -4.035  17.825   9.864
  625    H    ALA  77           H        ALA  77   1.668  23.871   9.650
  626    HA   ALA  77           HA       ALA  77   0.799  26.513   8.793
  627   1HB   ALA  77          1HB       ALA  77   1.958  27.180  10.892
  628   2HB   ALA  77          2HB       ALA  77   2.631  25.555  11.012
  629   3HB   ALA  77          3HB       ALA  77   0.890  25.800  11.143
  630    H    LYS  78           H        LYS  78   3.715  24.642   8.441
  631    HA   LYS  78           HA       LYS  78   5.332  27.015   7.682
  632   1HB   LYS  78          2HB       LYS  78   6.030  24.982   9.147
  633   2HB   LYS  78          1HB       LYS  78   6.162  24.113   7.617
  634   1HG   LYS  78          2HG       LYS  78   7.813  25.650   6.791
  635   2HG   LYS  78          1HG       LYS  78   7.545  26.755   8.139
  636   1HD   LYS  78          2HD       LYS  78   8.433  25.127   9.715
  637   2HD   LYS  78          1HD       LYS  78   8.584  23.923   8.435
  638   1HE   LYS  78          2HE       LYS  78  10.316  25.172   7.334
  639   2HE   LYS  78          1HE       LYS  78  10.019  26.596   8.352
  640   1HZ   LYS  78          1HZ       LYS  78  10.900  23.927   9.323
  641   2HZ   LYS  78          2HZ       LYS  78  10.590  25.282  10.300
  642   3HZ   LYS  78          3HZ       LYS  78  11.885  25.302   9.200
  Start of MODEL    3
    1   1H    MET   1          1HT       MET   1  -9.240  17.917   3.036
    2   2H    MET   1          2HT       MET   1  -9.435  18.852   1.631
    3   3H    MET   1          3HT       MET   1  -7.972  18.906   2.494
    4    HA   MET   1           HA       MET   1  -7.449  16.650   1.900
    5   1HB   MET   1          2HB       MET   1  -9.948  16.106   2.103
    6   2HB   MET   1          1HB       MET   1 -10.100  16.671   0.439
    7   1HG   MET   1          2HG       MET   1  -8.344  15.024  -0.234
    8   2HG   MET   1          1HG       MET   1  -8.336  14.408   1.418
    9   1HE   MET   1          1HE       MET   1  -9.573  12.037   1.649
   10   2HE   MET   1          2HE       MET   1  -8.539  12.274   0.243
   11   3HE   MET   1          3HE       MET   1 -10.091  11.459   0.059
   12    H    LYS   2           H        LYS   2  -6.789  19.218   0.896
   13    HA   LYS   2           HA       LYS   2  -7.074  19.059  -2.061
   14   1HB   LYS   2          2HB       LYS   2  -6.006  21.121  -0.110
   15   2HB   LYS   2          1HB       LYS   2  -5.996  21.345  -1.861
   16   1HG   LYS   2          2HG       LYS   2  -8.374  21.303  -1.984
   17   2HG   LYS   2          1HG       LYS   2  -8.521  20.668  -0.345
   18   1HD   LYS   2          2HD       LYS   2  -7.474  22.802   0.493
   19   2HD   LYS   2          1HD       LYS   2  -7.581  23.433  -1.151
   20   1HE   LYS   2          2HE       LYS   2  -9.961  23.391  -1.132
   21   2HE   LYS   2          1HE       LYS   2 -10.008  22.338   0.296
   22   1HZ   LYS   2          1HZ       LYS   2  -8.885  25.090   0.223
   23   2HZ   LYS   2          2HZ       LYS   2  -8.944  24.076   1.585
   24   3HZ   LYS   2          3HZ       LYS   2 -10.382  24.665   0.897
   25    H    LYS   3           H        LYS   3  -5.412  18.293  -3.308
   26    HA   LYS   3           HA       LYS   3  -2.804  17.682  -1.992
   27   1HB   LYS   3          2HB       LYS   3  -4.427  16.102  -3.387
   28   2HB   LYS   3          1HB       LYS   3  -3.581  16.822  -4.757
   29   1HG   LYS   3          2HG       LYS   3  -1.416  16.157  -3.780
   30   2HG   LYS   3          1HG       LYS   3  -2.257  15.438  -2.405
   31   1HD   LYS   3          2HD       LYS   3  -1.865  13.606  -3.841
   32   2HD   LYS   3          1HD       LYS   3  -3.540  14.049  -4.173
   33   1HE   LYS   3          2HE       LYS   3  -2.697  13.914  -6.349
   34   2HE   LYS   3          1HE       LYS   3  -2.387  15.626  -5.997
   35   1HZ   LYS   3          1HZ       LYS   3  -0.388  14.445  -6.795
   36   2HZ   LYS   3          2HZ       LYS   3  -0.476  13.418  -5.444
   37   3HZ   LYS   3          3HZ       LYS   3  -0.191  15.080  -5.235
   38    H    ASP   4           H        ASP   4  -1.558  19.555  -2.159
   39    HA   ASP   4           HA       ASP   4  -1.483  21.046  -4.729
   40   1HB   ASP   4          2HB       ASP   4  -0.860  21.486  -1.865
   41   2HB   ASP   4          1HB       ASP   4   0.226  22.296  -2.995
   42    HA   PRO   5           HA       PRO   5   2.432  19.444  -5.963
   43   1HB   PRO   5          2HB       PRO   5   3.918  21.644  -6.635
   44   2HB   PRO   5          1HB       PRO   5   2.567  21.052  -7.623
   45   1HG   PRO   5          2HG       PRO   5   2.647  23.310  -5.684
   46   2HG   PRO   5          1HG       PRO   5   1.827  23.193  -7.249
   47   1HD   PRO   5          2HD       PRO   5   0.545  22.912  -4.864
   48   2HD   PRO   5          1HD       PRO   5   0.005  22.125  -6.364
   49    H    ASN   6           H        ASN   6   2.545  22.020  -3.556
   50    HA   ASN   6           HA       ASN   6   5.269  21.386  -2.658
   51   1HB   ASN   6          2HB       ASN   6   3.009  23.205  -1.834
   52   2HB   ASN   6          1HB       ASN   6   4.418  23.010  -0.790
   53   1HD2  ASN   6          1HD2      ASN   6   3.272  24.430  -3.781
   54   2HD2  ASN   6          2HD2      ASN   6   4.725  25.203  -4.197
   55    H    ALA   7           H        ALA   7   1.965  20.571  -1.755
   56    HA   ALA   7           HA       ALA   7   2.493  19.477   0.860
   57   1HB   ALA   7          1HB       ALA   7   0.274  18.365   0.423
   58   2HB   ALA   7          2HB       ALA   7   0.361  18.958  -1.236
   59   3HB   ALA   7          3HB       ALA   7   0.266  20.099   0.104
   60    HA   PRO   8           HA       PRO   8   4.201  15.604  -0.233
   61   1HB   PRO   8          2HB       PRO   8   3.361  14.017   1.813
   62   2HB   PRO   8          1HB       PRO   8   4.685  15.191   1.914
   63   1HG   PRO   8          2HG       PRO   8   2.013  15.323   3.054
   64   2HG   PRO   8          1HG       PRO   8   3.482  16.212   3.423
   65   1HD   PRO   8          2HD       PRO   8   1.242  17.148   1.947
   66   2HD   PRO   8          1HD       PRO   8   2.751  18.004   2.318
   67    H    LYS   9           H        LYS   9   3.709  13.591  -1.231
   68    HA   LYS   9           HA       LYS   9   1.287  13.355  -2.652
   69   1HB   LYS   9          2HB       LYS   9   3.490  11.457  -1.867
   70   2HB   LYS   9          1HB       LYS   9   2.132  10.901  -2.846
   71   1HG   LYS   9          2HG       LYS   9   2.599  12.588  -4.538
   72   2HG   LYS   9          1HG       LYS   9   3.876  13.282  -3.538
   73   1HD   LYS   9          2HD       LYS   9   3.913  10.403  -4.466
   74   2HD   LYS   9          1HD       LYS   9   4.663  11.710  -5.383
   75   1HE   LYS   9          2HE       LYS   9   6.029  12.293  -3.365
   76   2HE   LYS   9          1HE       LYS   9   5.352  10.872  -2.545
   77   1HZ   LYS   9          1HZ       LYS   9   7.439  10.340  -3.683
   78   2HZ   LYS   9          2HZ       LYS   9   6.763  10.833  -5.162
   79   3HZ   LYS   9          3HZ       LYS   9   6.136   9.481  -4.345
   80    H    ARG  10           H        ARG  10   0.085  11.054  -2.469
   81    HA   ARG  10           HA       ARG  10  -1.506  11.189  -0.024
   82   1HB   ARG  10          2HB       ARG  10  -1.433   9.362  -2.443
   83   2HB   ARG  10          1HB       ARG  10  -2.651   9.233  -1.174
   84   1HG   ARG  10          2HG       ARG  10  -2.957  11.815  -1.620
   85   2HG   ARG  10          1HG       ARG  10  -2.235  11.423  -3.181
   86   1HD   ARG  10          2HD       ARG  10  -4.007   9.994  -3.787
   87   2HD   ARG  10          1HD       ARG  10  -4.534   9.785  -2.105
   88    HE   ARG  10           HE       ARG  10  -4.870  12.443  -2.366
   89   1HH1  ARG  10          1HH2      ARG  10  -6.903  10.080  -3.057
   90   2HH1  ARG  10          2HH2      ARG  10  -7.656  10.787  -4.448
   91   1HH2  ARG  10          1HH1      ARG  10  -5.273  13.279  -4.805
   92   2HH2  ARG  10          2HH1      ARG  10  -6.733  12.596  -5.437
   93    HA   PRO  11           HA       PRO  11   0.838   8.152   2.190
   94   1HB   PRO  11          2HB       PRO  11  -0.997   7.437   4.082
   95   2HB   PRO  11          1HB       PRO  11  -0.129   8.984   4.117
   96   1HG   PRO  11          2HG       PRO  11  -2.914   8.398   3.304
   97   2HG   PRO  11          1HG       PRO  11  -2.239   9.838   4.078
   98   1HD   PRO  11          2HD       PRO  11  -2.880   9.613   1.390
   99   2HD   PRO  11          1HD       PRO  11  -1.791  10.828   2.089
  100    HA   PRO  12           HA       PRO  12  -0.859   4.541   0.042
  101   1HB   PRO  12          2HB       PRO  12   1.318   2.919   0.384
  102   2HB   PRO  12          1HB       PRO  12   1.233   4.165  -0.877
  103   1HG   PRO  12          2HG       PRO  12   2.597   4.236   1.768
  104   2HG   PRO  12          1HG       PRO  12   3.135   4.868   0.204
  105   1HD   PRO  12          2HD       PRO  12   2.093   6.439   2.159
  106   2HD   PRO  12          1HD       PRO  12   1.940   6.812   0.428
  107    H    SER  13           H        SER  13  -0.435   1.958   0.884
  108    HA   SER  13           HA       SER  13  -0.518   1.663   3.780
  109   1HB   SER  13          2HB       SER  13  -2.942   1.092   3.861
  110   2HB   SER  13          1HB       SER  13  -2.670   2.764   3.377
  111    HG   SER  13           HG       SER  13  -4.092   1.933   1.920
  112    H    ALA  14           H        ALA  14   0.960   0.302   1.738
  113    HA   ALA  14           HA       ALA  14   1.616  -1.901   1.288
  114   1HB   ALA  14          1HB       ALA  14   0.203  -2.150   3.610
  115   2HB   ALA  14          2HB       ALA  14   0.929  -3.516   2.761
  116   3HB   ALA  14          3HB       ALA  14  -0.779  -3.140   2.530
  117    H    PHE  15           H        PHE  15  -1.976  -2.136   1.283
  118    HA   PHE  15           HA       PHE  15  -2.113  -3.557  -1.183
  119   1HB   PHE  15          2HB       PHE  15  -3.916  -3.405   0.499
  120   2HB   PHE  15          1HB       PHE  15  -4.108  -1.687   0.145
  121    HD1  PHE  15           1HD      PHE  15  -5.963  -1.205  -1.172
  122    HD2  PHE  15           2HD      PHE  15  -3.785  -4.837  -1.886
  123    HE1  PHE  15           1HE      PHE  15  -7.486  -1.747  -3.052
  124    HE2  PHE  15           2HE      PHE  15  -5.310  -5.382  -3.765
  125    HZ   PHE  15           HZ       PHE  15  -7.160  -3.836  -4.351
  126    H    PHE  16           H        PHE  16  -1.730  -0.128  -0.533
  127    HA   PHE  16           HA       PHE  16  -2.606   0.800  -3.140
  128   1HB   PHE  16          2HB       PHE  16  -2.277   1.987  -0.796
  129   2HB   PHE  16          1HB       PHE  16  -0.640   2.259  -1.394
  130    HD1  PHE  16           1HD      PHE  16  -4.222   2.968  -1.948
  131    HD2  PHE  16           2HD      PHE  16  -0.209   3.733  -3.273
  132    HE1  PHE  16           1HE      PHE  16  -5.038   4.860  -3.329
  133    HE2  PHE  16           2HE      PHE  16  -1.025   5.624  -4.654
  134    HZ   PHE  16           HZ       PHE  16  -3.439   6.188  -4.681
  135    H    LEU  17           H        LEU  17   0.496  -0.247  -1.791
  136    HA   LEU  17           HA       LEU  17   2.158   0.671  -3.980
  137   1HB   LEU  17          2HB       LEU  17   2.327  -1.403  -1.792
  138   2HB   LEU  17          1HB       LEU  17   3.575  -1.344  -3.032
  139    HG   LEU  17           HG       LEU  17   4.227  -0.013  -1.061
  140   1HD1  LEU  17          1HD1      LEU  17   3.538   1.930  -3.262
  141   2HD1  LEU  17          2HD1      LEU  17   4.757   0.676  -3.492
  142   3HD1  LEU  17          3HD1      LEU  17   4.972   1.893  -2.235
  143   1HD2  LEU  17          1HD2      LEU  17   1.881   0.569  -0.382
  144   2HD2  LEU  17          2HD2      LEU  17   1.825   1.717  -1.721
  145   3HD2  LEU  17          3HD2      LEU  17   2.969   1.957  -0.402
  146    H    PHE  18           H        PHE  18   1.398  -2.677  -3.172
  147    HA   PHE  18           HA       PHE  18   1.814  -4.099  -5.459
  148   1HB   PHE  18          2HB       PHE  18   0.898  -5.068  -3.430
  149   2HB   PHE  18          1HB       PHE  18  -0.614  -4.186  -3.638
  150    HD1  PHE  18           1HD      PHE  18  -2.382  -5.108  -4.905
  151    HD2  PHE  18           2HD      PHE  18   1.560  -6.787  -5.218
  152    HE1  PHE  18           1HE      PHE  18  -3.291  -6.991  -6.238
  153    HE2  PHE  18           2HE      PHE  18   0.651  -8.671  -6.553
  154    HZ   PHE  18           HZ       PHE  18  -1.776  -8.774  -7.061
  155    H    CYS  19           H        CYS  19  -1.377  -2.448  -4.940
  156    HA   CYS  19           HA       CYS  19  -2.303  -2.905  -7.609
  157   1HB   CYS  19          2HB       CYS  19  -3.669  -2.345  -5.585
  158   2HB   CYS  19          1HB       CYS  19  -3.024  -0.708  -5.650
  159    HG   CYS  19           HG       CYS  19  -5.398  -1.106  -7.002
  160    H    SER  20           H        SER  20  -0.688  -0.083  -6.133
  161    HA   SER  20           HA       SER  20  -0.859   1.750  -8.259
  162   1HB   SER  20          2HB       SER  20   1.113   1.189  -6.071
  163   2HB   SER  20          1HB       SER  20   1.484   2.436  -7.257
  164    HG   SER  20           HG       SER  20  -0.163   3.614  -6.553
  165    H    GLU  21           H        GLU  21   1.291  -1.063  -7.973
  166    HA   GLU  21           HA       GLU  21   2.847  -0.206 -10.337
  167   1HB   GLU  21          2HB       GLU  21   4.181  -2.209  -9.800
  168   2HB   GLU  21          1HB       GLU  21   3.938  -1.211  -8.369
  169   1HG   GLU  21          2HG       GLU  21   2.561  -2.755  -7.356
  170   2HG   GLU  21          1HG       GLU  21   1.925  -3.353  -8.887
  171    H    HIS  22           H        HIS  22   0.133  -2.311  -9.626
  172    HA   HIS  22           HA       HIS  22   0.439  -3.780 -12.184
  173   1HB   HIS  22          2HB       HIS  22  -1.209  -3.949  -9.685
  174   2HB   HIS  22          1HB       HIS  22  -1.785  -4.765 -11.139
  175    HD1  HIS  22           1HD      HIS  22   0.125  -6.383 -12.306
  176    HD2  HIS  22           2HD      HIS  22   0.658  -5.421  -8.286
  177    HE1  HIS  22           1HE      HIS  22   1.761  -8.079 -11.376
  178    H    ARG  23           H        ARG  23  -1.723  -1.425 -10.623
  179    HA   ARG  23           HA       ARG  23  -3.936  -1.250 -12.202
  180   1HB   ARG  23          2HB       ARG  23  -2.748   0.299 -10.336
  181   2HB   ARG  23          1HB       ARG  23  -2.553   1.334 -11.747
  182   1HG   ARG  23          2HG       ARG  23  -4.910   1.366 -12.167
  183   2HG   ARG  23          1HG       ARG  23  -5.198   0.083 -10.992
  184   1HD   ARG  23          2HD       ARG  23  -5.789   2.289 -10.031
  185   2HD   ARG  23          1HD       ARG  23  -4.394   1.603  -9.177
  186    HE   ARG  23           HE       ARG  23  -2.962   3.010 -10.744
  187   1HH1  ARG  23          1HH2      ARG  23  -4.133   4.820  -8.743
  188   2HH1  ARG  23          2HH2      ARG  23  -4.901   6.034  -9.712
  189   1HH2  ARG  23          1HH1      ARG  23  -4.870   4.123 -12.604
  190   2HH2  ARG  23          2HH1      ARG  23  -5.317   5.639 -11.898
  191    HA   PRO  24           HA       PRO  24  -1.879   1.278 -15.709
  192   1HB   PRO  24          2HB       PRO  24   0.853   1.280 -15.901
  193   2HB   PRO  24          1HB       PRO  24  -0.056   2.516 -15.008
  194   1HG   PRO  24          2HG       PRO  24   1.392   0.122 -13.985
  195   2HG   PRO  24          1HG       PRO  24   1.302   1.758 -13.315
  196   1HD   PRO  24          2HD       PRO  24  -0.148  -0.312 -12.347
  197   2HD   PRO  24          1HD       PRO  24  -0.704   1.371 -12.284
  198    H    LYS  25           H        LYS  25  -0.567  -1.750 -14.570
  199    HA   LYS  25           HA       LYS  25   0.201  -2.722 -17.240
  200   1HB   LYS  25          2HB       LYS  25   1.245  -3.266 -14.946
  201   2HB   LYS  25          1HB       LYS  25  -0.165  -4.293 -14.679
  202   1HG   LYS  25          2HG       LYS  25   0.401  -5.745 -16.439
  203   2HG   LYS  25          1HG       LYS  25   1.460  -4.558 -17.201
  204   1HD   LYS  25          2HD       LYS  25   2.055  -5.671 -14.458
  205   2HD   LYS  25          1HD       LYS  25   2.596  -6.489 -15.924
  206   1HE   LYS  25          2HE       LYS  25   3.774  -4.422 -16.638
  207   2HE   LYS  25          1HE       LYS  25   3.265  -3.630 -15.133
  208   1HZ   LYS  25          1HZ       LYS  25   4.802  -6.169 -15.293
  209   2HZ   LYS  25          2HZ       LYS  25   4.337  -5.369 -13.869
  210   3HZ   LYS  25          3HZ       LYS  25   5.468  -4.654 -14.918
  211    H    ILE  26           H        ILE  26  -2.460  -3.173 -14.913
  212    HA   ILE  26           HA       ILE  26  -3.830  -5.242 -16.399
  213    HB   ILE  26           HB       ILE  26  -4.853  -3.199 -14.397
  214   1HG1  ILE  26          2HG1      ILE  26  -2.956  -4.495 -13.507
  215   2HG1  ILE  26          1HG1      ILE  26  -4.455  -4.983 -12.723
  216   1HG2  ILE  26          1HG2      ILE  26  -6.335  -5.439 -14.006
  217   2HG2  ILE  26          2HG2      ILE  26  -6.048  -5.560 -15.741
  218   3HG2  ILE  26          3HG2      ILE  26  -6.829  -4.127 -15.075
  219   1HD1  ILE  26          1HD1      ILE  26  -2.995  -6.446 -14.939
  220   2HD1  ILE  26          2HD1      ILE  26  -4.611  -6.881 -14.384
  221   3HD1  ILE  26          3HD1      ILE  26  -3.238  -6.995 -13.281
  222    H    LYS  27           H        LYS  27  -3.527  -1.834 -16.893
  223    HA   LYS  27           HA       LYS  27  -6.071  -1.492 -18.325
  224   1HB   LYS  27          2HB       LYS  27  -3.638   0.131 -17.632
  225   2HB   LYS  27          1HB       LYS  27  -4.744   0.717 -18.878
  226   1HG   LYS  27          2HG       LYS  27  -6.631   0.343 -17.211
  227   2HG   LYS  27          1HG       LYS  27  -5.383   0.097 -15.989
  228   1HD   LYS  27          2HD       LYS  27  -5.810   2.386 -15.778
  229   2HD   LYS  27          1HD       LYS  27  -4.437   2.374 -16.885
  230   1HE   LYS  27          2HE       LYS  27  -5.765   2.886 -18.750
  231   2HE   LYS  27          1HE       LYS  27  -7.245   2.277 -17.981
  232   1HZ   LYS  27          1HZ       LYS  27  -7.119   4.059 -16.368
  233   2HZ   LYS  27          2HZ       LYS  27  -7.149   4.710 -17.938
  234   3HZ   LYS  27          3HZ       LYS  27  -5.689   4.641 -17.071
  235    H    SER  28           H        SER  28  -2.900  -2.656 -19.103
  236    HA   SER  28           HA       SER  28  -2.913  -1.873 -21.920
  237   1HB   SER  28          2HB       SER  28  -1.309  -3.854 -20.276
  238   2HB   SER  28          1HB       SER  28  -0.941  -3.434 -21.947
  239    HG   SER  28           HG       SER  28  -0.293  -1.494 -21.328
  240    H    GLU  29           H        GLU  29  -3.383  -4.970 -20.170
  241    HA   GLU  29           HA       GLU  29  -4.307  -6.305 -22.641
  242   1HB   GLU  29          2HB       GLU  29  -3.901  -7.142 -19.758
  243   2HB   GLU  29          1HB       GLU  29  -4.449  -8.248 -21.018
  244   1HG   GLU  29          2HG       GLU  29  -2.380  -7.546 -22.343
  245   2HG   GLU  29          1HG       GLU  29  -1.809  -6.780 -20.861
  246    H    HIS  30           H        HIS  30  -5.856  -4.147 -20.843
  247    HA   HIS  30           HA       HIS  30  -8.507  -5.344 -21.313
  248   1HB   HIS  30          2HB       HIS  30  -7.614  -4.487 -18.535
  249   2HB   HIS  30          1HB       HIS  30  -9.221  -5.048 -18.970
  250    HD1  HIS  30           1HD      HIS  30  -9.554  -7.578 -19.358
  251    HD2  HIS  30           2HD      HIS  30  -5.635  -6.542 -18.406
  252    HE1  HIS  30           1HE      HIS  30  -8.351  -9.744 -18.826
  253    HA   PRO  31           HA       PRO  31  -7.990  -0.747 -21.922
  254   1HB   PRO  31          2HB       PRO  31  -9.355  -0.678 -24.310
  255   2HB   PRO  31          1HB       PRO  31  -7.608  -0.977 -24.195
  256   1HG   PRO  31          2HG       PRO  31  -9.844  -2.942 -24.477
  257   2HG   PRO  31          1HG       PRO  31  -8.285  -2.886 -25.319
  258   1HD   PRO  31          2HD       PRO  31  -8.692  -4.558 -23.258
  259   2HD   PRO  31          1HD       PRO  31  -7.123  -3.753 -23.507
  260    H    GLY  32           H        GLY  32  -9.502   0.507 -20.912
  261   1HA   GLY  32          2HA       GLY  32 -11.746   1.400 -20.651
  262   2HA   GLY  32          1HA       GLY  32 -12.390  -0.131 -21.251
  263    H    LEU  33           H        LEU  33 -10.465  -1.649 -19.519
  264    HA   LEU  33           HA       LEU  33 -12.076  -2.293 -17.322
  265   1HB   LEU  33          2HB       LEU  33  -9.914  -3.318 -18.383
  266   2HB   LEU  33          1HB       LEU  33  -9.062  -2.328 -17.206
  267    HG   LEU  33           HG       LEU  33  -9.454  -4.631 -16.375
  268   1HD1  LEU  33          1HD1      LEU  33 -10.083  -3.991 -14.209
  269   2HD1  LEU  33          2HD1      LEU  33 -11.215  -2.772 -14.793
  270   3HD1  LEU  33          3HD1      LEU  33  -9.478  -2.494 -14.915
  271   1HD2  LEU  33          1HD2      LEU  33 -12.390  -3.989 -16.189
  272   2HD2  LEU  33          2HD2      LEU  33 -11.591  -5.559 -16.102
  273   3HD2  LEU  33          3HD2      LEU  33 -11.737  -4.728 -17.651
  274    H    SER  34           H        SER  34 -12.870  -0.583 -16.092
  275    HA   SER  34           HA       SER  34 -11.494   1.737 -15.212
  276   1HB   SER  34          2HB       SER  34 -13.284   1.582 -13.347
  277   2HB   SER  34          1HB       SER  34 -13.857   1.625 -15.012
  278    HG   SER  34           HG       SER  34 -14.436  -0.170 -13.267
  279    H    ILE  35           H        ILE  35 -11.447   1.923 -12.511
  280    HA   ILE  35           HA       ILE  35  -9.188   0.159 -11.763
  281    HB   ILE  35           HB       ILE  35 -10.493   2.526 -10.380
  282   1HG1  ILE  35          2HG1      ILE  35  -9.585   3.133 -12.594
  283   2HG1  ILE  35          1HG1      ILE  35  -8.598   3.826 -11.309
  284   1HG2  ILE  35          1HG2      ILE  35  -8.046   0.874  -9.834
  285   2HG2  ILE  35          2HG2      ILE  35  -9.247   1.497  -8.702
  286   3HG2  ILE  35          3HG2      ILE  35  -8.049   2.585  -9.403
  287   1HD1  ILE  35          1HD1      ILE  35  -7.038   1.870 -11.533
  288   2HD1  ILE  35          2HD1      ILE  35  -7.120   2.870 -12.983
  289   3HD1  ILE  35          3HD1      ILE  35  -7.981   1.332 -12.922
  290    H    GLY  36           H        GLY  36 -12.285  -0.554 -11.726
  291   1HA   GLY  36          2HA       GLY  36 -12.486  -1.343  -8.865
  292   2HA   GLY  36          1HA       GLY  36 -13.820  -1.346 -10.021
  293    H    ASP  37           H        ASP  37 -12.978  -2.785 -12.107
  294    HA   ASP  37           HA       ASP  37 -13.111  -5.503 -11.242
  295   1HB   ASP  37          2HB       ASP  37 -12.274  -4.154 -13.820
  296   2HB   ASP  37          1HB       ASP  37 -12.462  -5.901 -13.677
  297    H    THR  38           H        THR  38 -10.314  -3.526 -12.302
  298    HA   THR  38           HA       THR  38  -8.418  -5.715 -12.030
  299    HB   THR  38           HB       THR  38  -8.082  -3.823 -13.559
  300    HG1  THR  38           1HG      THR  38  -6.213  -3.746 -11.432
  301   1HG2  THR  38          1HG2      THR  38  -8.330  -1.667 -12.959
  302   2HG2  THR  38          2HG2      THR  38  -7.306  -1.869 -11.538
  303   3HG2  THR  38          3HG2      THR  38  -9.020  -2.271 -11.453
  304    H    ALA  39           H        ALA  39  -9.719  -3.276  -9.875
  305    HA   ALA  39           HA       ALA  39  -7.656  -3.573  -7.811
  306   1HB   ALA  39          1HB       ALA  39  -8.852  -1.499  -7.950
  307   2HB   ALA  39          2HB       ALA  39  -9.474  -2.296  -6.506
  308   3HB   ALA  39          3HB       ALA  39 -10.411  -2.321  -7.999
  309    H    LYS  40           H        LYS  40 -10.828  -4.908  -8.534
  310    HA   LYS  40           HA       LYS  40 -11.235  -6.330  -6.048
  311   1HB   LYS  40          2HB       LYS  40 -12.274  -6.469  -8.876
  312   2HB   LYS  40          1HB       LYS  40 -12.727  -7.723  -7.720
  313   1HG   LYS  40          2HG       LYS  40 -13.599  -6.017  -6.183
  314   2HG   LYS  40          1HG       LYS  40 -13.111  -4.743  -7.301
  315   1HD   LYS  40          2HD       LYS  40 -14.644  -5.578  -8.998
  316   2HD   LYS  40          1HD       LYS  40 -15.063  -6.960  -7.985
  317   1HE   LYS  40          2HE       LYS  40 -15.440  -4.162  -6.923
  318   2HE   LYS  40          1HE       LYS  40 -16.671  -4.897  -7.971
  319   1HZ   LYS  40          1HZ       LYS  40 -15.526  -6.152  -5.531
  320   2HZ   LYS  40          2HZ       LYS  40 -16.722  -6.824  -6.532
  321   3HZ   LYS  40          3HZ       LYS  40 -17.057  -5.427  -5.624
  322    H    LYS  41           H        LYS  41  -9.955  -7.275  -9.233
  323    HA   LYS  41           HA       LYS  41  -9.257  -9.982  -8.542
  324   1HB   LYS  41          2HB       LYS  41  -9.489  -8.811 -10.828
  325   2HB   LYS  41          1HB       LYS  41  -7.854  -8.209 -10.555
  326   1HG   LYS  41          2HG       LYS  41  -7.124 -10.596 -10.191
  327   2HG   LYS  41          1HG       LYS  41  -8.732 -11.105 -10.706
  328   1HD   LYS  41          2HD       LYS  41  -8.427 -10.207 -12.892
  329   2HD   LYS  41          1HD       LYS  41  -6.994  -9.303 -12.401
  330   1HE   LYS  41          2HE       LYS  41  -5.784 -11.433 -12.009
  331   2HE   LYS  41          1HE       LYS  41  -7.219 -12.333 -12.539
  332   1HZ   LYS  41          1HZ       LYS  41  -5.690 -11.962 -14.387
  333   2HZ   LYS  41          2HZ       LYS  41  -5.776 -10.283 -14.140
  334   3HZ   LYS  41          3HZ       LYS  41  -7.154 -11.143 -14.640
  335    H    LEU  42           H        LEU  42  -7.289  -6.994  -8.676
  336    HA   LEU  42           HA       LEU  42  -4.773  -7.984  -7.914
  337   1HB   LEU  42          2HB       LEU  42  -6.277  -5.456  -7.825
  338   2HB   LEU  42          1HB       LEU  42  -4.988  -5.544  -6.632
  339    HG   LEU  42           HG       LEU  42  -3.383  -6.149  -8.412
  340   1HD1  LEU  42          1HD1      LEU  42  -3.971  -6.503 -10.604
  341   2HD1  LEU  42          2HD1      LEU  42  -5.301  -5.348 -10.544
  342   3HD1  LEU  42          3HD1      LEU  42  -5.506  -6.965  -9.875
  343   1HD2  LEU  42          1HD2      LEU  42  -3.125  -3.952  -9.184
  344   2HD2  LEU  42          2HD2      LEU  42  -4.104  -3.740  -7.734
  345   3HD2  LEU  42          3HD2      LEU  42  -4.864  -3.695  -9.324
  346    H    GLY  43           H        GLY  43  -7.307  -6.722  -5.706
  347   1HA   GLY  43          2HA       GLY  43  -5.998  -7.191  -3.263
  348   2HA   GLY  43          1HA       GLY  43  -7.754  -7.237  -3.451
  349    H    GLU  44           H        GLU  44  -7.497  -9.472  -5.449
  350    HA   GLU  44           HA       GLU  44  -7.607 -11.701  -3.565
  351   1HB   GLU  44          2HB       GLU  44  -8.912 -11.253  -5.780
  352   2HB   GLU  44          1HB       GLU  44  -7.464 -11.863  -6.581
  353   1HG   GLU  44          2HG       GLU  44  -8.841 -13.775  -6.309
  354   2HG   GLU  44          1HG       GLU  44  -7.659 -13.890  -5.004
  355    H    MET  45           H        MET  45  -5.341 -10.437  -5.974
  356    HA   MET  45           HA       MET  45  -3.449 -12.659  -5.706
  357   1HB   MET  45          2HB       MET  45  -3.529  -9.958  -7.063
  358   2HB   MET  45          1HB       MET  45  -2.062 -10.936  -7.068
  359   1HG   MET  45          2HG       MET  45  -3.121 -12.710  -8.247
  360   2HG   MET  45          1HG       MET  45  -4.729 -12.052  -7.945
  361   1HE   MET  45          1HE       MET  45  -1.523 -12.053  -9.698
  362   2HE   MET  45          2HE       MET  45  -1.285 -10.343  -9.342
  363   3HE   MET  45          3HE       MET  45  -1.593 -10.857 -11.000
  364    H    TRP  46           H        TRP  46  -3.801  -9.342  -4.480
  365    HA   TRP  46           HA       TRP  46  -1.270  -9.002  -3.221
  366   1HB   TRP  46          2HB       TRP  46  -2.898  -7.214  -3.505
  367   2HB   TRP  46          1HB       TRP  46  -4.071  -8.050  -2.497
  368    HD1  TRP  46           HD       TRP  46  -4.184  -6.969  -0.190
  369    HE1  TRP  46           1HE      TRP  46  -2.483  -5.920   1.444
  370    HE3  TRP  46           3HE      TRP  46   0.064  -7.416  -2.958
  371    HZ2  TRP  46           2HZ      TRP  46   0.325  -5.349   1.552
  372    HZ3  TRP  46           3HZ      TRP  46   2.245  -6.614  -2.076
  373    HH2  TRP  46           HH       TRP  46   2.373  -5.586   0.171
  374    H    SER  47           H        SER  47  -4.326 -10.280  -1.827
  375    HA   SER  47           HA       SER  47  -3.187 -11.059   0.697
  376   1HB   SER  47          2HB       SER  47  -5.619 -10.685   0.080
  377   2HB   SER  47          1HB       SER  47  -5.574 -12.230  -0.764
  378    HG   SER  47           HG       SER  47  -5.549 -11.655   1.953
  379    H    GLU  48           H        GLU  48  -2.771 -12.405  -2.436
  380    HA   GLU  48           HA       GLU  48  -2.183 -15.120  -1.377
  381   1HB   GLU  48          2HB       GLU  48  -2.838 -13.866  -4.028
  382   2HB   GLU  48          1HB       GLU  48  -1.985 -15.409  -3.994
  383   1HG   GLU  48          2HG       GLU  48  -4.414 -15.091  -2.274
  384   2HG   GLU  48          1HG       GLU  48  -4.636 -15.336  -4.007
  385    H    GLN  49           H        GLN  49  -0.633 -12.180  -2.291
  386    HA   GLN  49           HA       GLN  49   1.813 -13.251  -3.371
  387   1HB   GLN  49          2HB       GLN  49   0.641 -10.720  -2.688
  388   2HB   GLN  49          1HB       GLN  49   2.218 -10.793  -1.918
  389   1HG   GLN  49          2HG       GLN  49   2.435  -9.859  -4.165
  390   2HG   GLN  49          1HG       GLN  49   3.230 -11.431  -4.094
  391   1HE2  GLN  49          1HE2      GLN  49  -0.002 -10.036  -4.907
  392   2HE2  GLN  49          2HE2      GLN  49  -0.309 -11.122  -6.173
  393    H    SER  50           H        SER  50   3.736 -13.755  -2.266
  394    HA   SER  50           HA       SER  50   3.413 -14.409   0.614
  395   1HB   SER  50          2HB       SER  50   5.407 -15.825   0.160
  396   2HB   SER  50          1HB       SER  50   4.120 -16.146  -0.999
  397    HG   SER  50           HG       SER  50   6.517 -15.595  -1.624
  398    H    ALA  51           H        ALA  51   6.711 -13.989  -0.285
  399    HA   ALA  51           HA       ALA  51   6.772 -11.390   1.184
  400   1HB   ALA  51          1HB       ALA  51   8.065 -13.066   2.266
  401   2HB   ALA  51          2HB       ALA  51   9.252 -12.120   1.368
  402   3HB   ALA  51          3HB       ALA  51   8.703 -13.673   0.739
  403    H    LYS  52           H        LYS  52   7.452 -12.903  -1.893
  404    HA   LYS  52           HA       LYS  52   9.386 -11.146  -2.998
  405   1HB   LYS  52          2HB       LYS  52   8.113 -13.346  -3.813
  406   2HB   LYS  52          1HB       LYS  52   7.111 -12.163  -4.656
  407   1HG   LYS  52          2HG       LYS  52   9.222 -11.153  -5.589
  408   2HG   LYS  52          1HG       LYS  52  10.113 -12.505  -4.889
  409   1HD   LYS  52          2HD       LYS  52   8.609 -14.064  -6.176
  410   2HD   LYS  52          1HD       LYS  52   7.927 -12.652  -6.983
  411   1HE   LYS  52          2HE       LYS  52  10.902 -13.256  -6.973
  412   2HE   LYS  52          1HE       LYS  52   9.807 -13.774  -8.270
  413   1HZ   LYS  52          1HZ       LYS  52   9.054 -11.454  -8.460
  414   2HZ   LYS  52          2HZ       LYS  52  10.707 -11.622  -8.813
  415   3HZ   LYS  52          3HZ       LYS  52  10.216 -10.990  -7.315
  416    H    ASP  53           H        ASP  53   5.804 -10.906  -3.178
  417    HA   ASP  53           HA       ASP  53   6.144  -7.986  -3.792
  418   1HB   ASP  53          2HB       ASP  53   4.490 -10.171  -4.968
  419   2HB   ASP  53          1HB       ASP  53   3.766  -8.566  -4.870
  420    H    LYS  54           H        LYS  54   6.041  -8.348  -1.236
  421    HA   LYS  54           HA       LYS  54   3.512  -7.255  -0.349
  422   1HB   LYS  54          2HB       LYS  54   3.506  -9.940  -0.678
  423   2HB   LYS  54          1HB       LYS  54   4.079  -9.834   0.982
  424   1HG   LYS  54          2HG       LYS  54   2.107  -8.172   1.323
  425   2HG   LYS  54          1HG       LYS  54   1.486  -8.831  -0.185
  426   1HD   LYS  54          2HD       LYS  54   0.476 -10.108   1.559
  427   2HD   LYS  54          1HD       LYS  54   1.730 -11.130   0.861
  428   1HE   LYS  54          2HE       LYS  54   3.212 -10.761   2.690
  429   2HE   LYS  54          1HE       LYS  54   2.261  -9.382   3.275
  430   1HZ   LYS  54          1HZ       LYS  54   1.680 -11.304   4.564
  431   2HZ   LYS  54          2HZ       LYS  54   1.394 -12.223   3.165
  432   3HZ   LYS  54          3HZ       LYS  54   0.369 -10.926   3.557
  433    H    GLN  55           H        GLN  55   6.618  -8.739   0.516
  434    HA   GLN  55           HA       GLN  55   6.663  -7.754   3.247
  435   1HB   GLN  55          2HB       GLN  55   8.462  -9.102   1.302
  436   2HB   GLN  55          1HB       GLN  55   9.259  -8.213   2.600
  437   1HG   GLN  55          2HG       GLN  55   7.072 -10.268   3.031
  438   2HG   GLN  55          1HG       GLN  55   8.797 -10.604   3.187
  439   1HE2  GLN  55          1HE2      GLN  55   6.033  -9.186   4.780
  440   2HE2  GLN  55          2HE2      GLN  55   6.845  -8.693   6.186
  441    HA   PRO  56           HA       PRO  56   9.497  -4.320   1.509
  442   1HB   PRO  56          2HB       PRO  56   9.745  -4.041  -1.200
  443   2HB   PRO  56          1HB       PRO  56  10.821  -5.068  -0.232
  444   1HG   PRO  56          2HG       PRO  56   8.489  -5.830  -1.919
  445   2HG   PRO  56          1HG       PRO  56  10.045  -6.648  -1.709
  446   1HD   PRO  56          2HD       PRO  56   7.757  -7.448  -0.485
  447   2HD   PRO  56          1HD       PRO  56   9.374  -7.719   0.198
  448    H    TYR  57           H        TYR  57   6.405  -5.140   0.274
  449    HA   TYR  57           HA       TYR  57   5.749  -2.490  -0.810
  450   1HB   TYR  57          2HB       TYR  57   4.301  -5.090  -0.283
  451   2HB   TYR  57          1HB       TYR  57   3.440  -3.658  -0.846
  452    HD1  TYR  57           1HD      TYR  57   6.522  -5.654  -1.640
  453    HD2  TYR  57           2HD      TYR  57   3.264  -3.299  -3.142
  454    HE1  TYR  57           1HE      TYR  57   7.264  -6.110  -3.962
  455    HE2  TYR  57           2HE      TYR  57   4.002  -3.752  -5.463
  456    HH   TYR  57           HH       TYR  57   6.742  -4.546  -6.394
  457    H    GLU  58           H        GLU  58   4.965  -4.400   2.102
  458    HA   GLU  58           HA       GLU  58   3.250  -2.375   3.276
  459   1HB   GLU  58          2HB       GLU  58   3.453  -3.853   5.269
  460   2HB   GLU  58          1HB       GLU  58   3.093  -4.766   3.805
  461   1HG   GLU  58          2HG       GLU  58   5.042  -5.906   3.915
  462   2HG   GLU  58          1HG       GLU  58   5.973  -4.441   4.216
  463    H    GLN  59           H        GLN  59   6.704  -2.844   3.158
  464    HA   GLN  59           HA       GLN  59   7.321  -1.272   5.547
  465   1HB   GLN  59          2HB       GLN  59   8.905  -2.300   3.174
  466   2HB   GLN  59          1HB       GLN  59   9.644  -1.460   4.537
  467   1HG   GLN  59          2HG       GLN  59   7.903  -3.911   4.880
  468   2HG   GLN  59          1HG       GLN  59   9.655  -4.003   4.688
  469   1HE2  GLN  59          1HE2      GLN  59   7.111  -3.393   6.960
  470   2HE2  GLN  59          2HE2      GLN  59   8.096  -2.943   8.266
  471    H    LYS  60           H        LYS  60   8.249  -0.666   2.140
  472    HA   LYS  60           HA       LYS  60   8.862   2.048   2.304
  473   1HB   LYS  60          2HB       LYS  60   9.079   0.427   0.367
  474   2HB   LYS  60          1HB       LYS  60   7.374   0.722   0.022
  475   1HG   LYS  60          2HG       LYS  60   8.025   3.234   0.032
  476   2HG   LYS  60          1HG       LYS  60   9.684   2.654  -0.131
  477   1HD   LYS  60          2HD       LYS  60   8.962   1.320  -2.128
  478   2HD   LYS  60          1HD       LYS  60   7.373   2.077  -2.005
  479   1HE   LYS  60          2HE       LYS  60   8.729   4.329  -2.035
  480   2HE   LYS  60          1HE       LYS  60  10.003   3.329  -2.762
  481   1HZ   LYS  60          1HZ       LYS  60   8.402   2.512  -4.374
  482   2HZ   LYS  60          2HZ       LYS  60   8.502   4.206  -4.458
  483   3HZ   LYS  60          3HZ       LYS  60   7.180   3.467  -3.687
  484    H    ALA  61           H        ALA  61   5.659   0.593   2.283
  485    HA   ALA  61           HA       ALA  61   4.279   3.160   1.818
  486   1HB   ALA  61          1HB       ALA  61   3.018   0.607   2.795
  487   2HB   ALA  61          2HB       ALA  61   3.640   0.697   1.147
  488   3HB   ALA  61          3HB       ALA  61   2.369   1.802   1.672
  489    H    ALA  62           H        ALA  62   4.837   0.878   4.490
  490    HA   ALA  62           HA       ALA  62   3.261   2.121   6.501
  491   1HB   ALA  62          1HB       ALA  62   4.164  -0.032   6.908
  492   2HB   ALA  62          2HB       ALA  62   5.076   1.015   7.996
  493   3HB   ALA  62          3HB       ALA  62   5.795   0.479   6.477
  494    H    LYS  63           H        LYS  63   6.674   2.701   5.595
  495    HA   LYS  63           HA       LYS  63   7.171   4.726   7.593
  496   1HB   LYS  63          2HB       LYS  63   8.849   3.348   6.297
  497   2HB   LYS  63          1HB       LYS  63   8.471   4.326   4.878
  498   1HG   LYS  63          2HG       LYS  63   9.394   6.268   5.807
  499   2HG   LYS  63          1HG       LYS  63   9.257   5.658   7.457
  500   1HD   LYS  63          2HD       LYS  63  11.160   4.349   7.281
  501   2HD   LYS  63          1HD       LYS  63  11.000   4.167   5.534
  502   1HE   LYS  63          2HE       LYS  63  11.494   6.925   6.590
  503   2HE   LYS  63          1HE       LYS  63  12.855   5.786   6.564
  504   1HZ   LYS  63          1HZ       LYS  63  11.072   6.455   4.282
  505   2HZ   LYS  63          2HZ       LYS  63  12.279   5.259   4.250
  506   3HZ   LYS  63          3HZ       LYS  63  12.703   6.893   4.441
  507    H    LEU  64           H        LEU  64   6.639   5.024   4.060
  508    HA   LEU  64           HA       LEU  64   6.454   7.832   3.878
  509   1HB   LEU  64          2HB       LEU  64   5.381   5.473   2.378
  510   2HB   LEU  64          1HB       LEU  64   4.786   7.074   1.937
  511    HG   LEU  64           HG       LEU  64   7.732   6.421   2.169
  512   1HD1  LEU  64          1HD1      LEU  64   6.470   5.078   0.394
  513   2HD1  LEU  64          2HD1      LEU  64   7.799   6.076  -0.194
  514   3HD1  LEU  64          3HD1      LEU  64   6.134   6.621  -0.392
  515   1HD2  LEU  64          1HD2      LEU  64   7.807   8.480   0.644
  516   2HD2  LEU  64          2HD2      LEU  64   7.337   8.773   2.319
  517   3HD2  LEU  64          3HD2      LEU  64   6.109   8.720   1.055
  518    H    LYS  65           H        LYS  65   3.973   5.468   4.782
  519    HA   LYS  65           HA       LYS  65   1.776   7.372   4.879
  520   1HB   LYS  65          2HB       LYS  65   1.589   4.890   4.582
  521   2HB   LYS  65          1HB       LYS  65   2.157   4.682   6.239
  522   1HG   LYS  65          2HG       LYS  65   0.211   6.250   6.900
  523   2HG   LYS  65          1HG       LYS  65  -0.423   5.921   5.287
  524   1HD   LYS  65          2HD       LYS  65  -1.444   4.237   6.542
  525   2HD   LYS  65          1HD       LYS  65  -0.006   3.410   5.942
  526   1HE   LYS  65          2HE       LYS  65   1.167   4.075   8.090
  527   2HE   LYS  65          1HE       LYS  65  -0.408   4.626   8.693
  528   1HZ   LYS  65          1HZ       LYS  65  -0.024   2.305   9.276
  529   2HZ   LYS  65          2HZ       LYS  65   0.188   1.911   7.636
  530   3HZ   LYS  65          3HZ       LYS  65  -1.325   2.445   8.196
  531    H    GLU  66           H        GLU  66   3.648   5.687   7.418
  532    HA   GLU  66           HA       GLU  66   2.628   7.102   9.664
  533   1HB   GLU  66          2HB       GLU  66   4.061   5.000   9.552
  534   2HB   GLU  66          1HB       GLU  66   5.450   6.058   9.299
  535   1HG   GLU  66          2HG       GLU  66   5.097   7.145  11.429
  536   2HG   GLU  66          1HG       GLU  66   3.567   6.298  11.660
  537    H    LYS  67           H        LYS  67   5.149   7.968   7.352
  538    HA   LYS  67           HA       LYS  67   6.134  10.252   8.900
  539   1HB   LYS  67          2HB       LYS  67   7.297   8.711   7.138
  540   2HB   LYS  67          1HB       LYS  67   6.536   9.773   5.954
  541   1HG   LYS  67          2HG       LYS  67   8.579  10.849   6.288
  542   2HG   LYS  67          1HG       LYS  67   7.546  11.690   7.447
  543   1HD   LYS  67          2HD       LYS  67   8.318  10.170   9.237
  544   2HD   LYS  67          1HD       LYS  67   9.364   9.346   8.079
  545   1HE   LYS  67          2HE       LYS  67  10.291  11.783   7.631
  546   2HE   LYS  67          1HE       LYS  67   9.646  12.095   9.255
  547   1HZ   LYS  67          1HZ       LYS  67  10.810  10.119  10.047
  548   2HZ   LYS  67          2HZ       LYS  67  11.903  11.244   9.393
  549   3HZ   LYS  67          3HZ       LYS  67  11.465   9.866   8.502
  550    H    TYR  68           H        TYR  68   3.559   9.688   6.633
  551    HA   TYR  68           HA       TYR  68   3.269  12.350   5.536
  552   1HB   TYR  68          2HB       TYR  68   2.312  10.140   4.731
  553   2HB   TYR  68          1HB       TYR  68   1.164  10.225   6.059
  554    HD1  TYR  68           1HD      TYR  68   2.486  12.560   3.411
  555    HD2  TYR  68           2HD      TYR  68  -0.935  10.993   5.484
  556    HE1  TYR  68           1HE      TYR  68   0.991  13.968   2.020
  557    HE2  TYR  68           2HE      TYR  68  -2.426  12.405   4.097
  558    HH   TYR  68           HH       TYR  68  -2.094  13.490   1.571
  559    H    GLU  69           H        GLU  69   1.947  10.694   8.356
  560    HA   GLU  69           HA       GLU  69   0.064  12.634   9.242
  561   1HB   GLU  69          2HB       GLU  69   1.823  10.681  10.764
  562   2HB   GLU  69          1HB       GLU  69   0.414  11.492  11.448
  563   1HG   GLU  69          2HG       GLU  69  -0.791  10.506   9.305
  564   2HG   GLU  69          1HG       GLU  69   0.539   9.346   9.360
  565    H    LYS  70           H        LYS  70   3.574  12.431   9.709
  566    HA   LYS  70           HA       LYS  70   3.602  14.773  11.516
  567   1HB   LYS  70          2HB       LYS  70   5.720  12.973  10.289
  568   2HB   LYS  70          1HB       LYS  70   6.080  14.279  11.419
  569   1HG   LYS  70          2HG       LYS  70   4.471  13.188  13.042
  570   2HG   LYS  70          1HG       LYS  70   4.407  11.809  11.943
  571   1HD   LYS  70          2HD       LYS  70   7.053  11.994  12.109
  572   2HD   LYS  70          1HD       LYS  70   6.673  12.777  13.643
  573   1HE   LYS  70          2HE       LYS  70   6.797  10.515  14.279
  574   2HE   LYS  70          1HE       LYS  70   5.061  10.693  13.953
  575   1HZ   LYS  70          1HZ       LYS  70   6.010   8.791  12.763
  576   2HZ   LYS  70          2HZ       LYS  70   7.097   9.827  11.967
  577   3HZ   LYS  70          3HZ       LYS  70   5.427   9.967  11.690
  578    H    ASP  71           H        ASP  71   4.411  13.855   8.215
  579    HA   ASP  71           HA       ASP  71   5.703  16.281   7.376
  580   1HB   ASP  71          2HB       ASP  71   4.467  13.857   6.219
  581   2HB   ASP  71          1HB       ASP  71   4.446  15.250   5.151
  582    H    ILE  72           H        ILE  72   2.372  15.139   6.808
  583    HA   ILE  72           HA       ILE  72   1.288  17.504   5.704
  584    HB   ILE  72           HB       ILE  72   0.188  15.197   7.327
  585   1HG1  ILE  72          2HG1      ILE  72   1.056  14.733   5.074
  586   2HG1  ILE  72          1HG1      ILE  72  -0.687  14.502   5.141
  587   1HG2  ILE  72          1HG2      ILE  72  -1.326  17.535   6.149
  588   2HG2  ILE  72          2HG2      ILE  72  -1.467  16.843   7.765
  589   3HG2  ILE  72          3HG2      ILE  72  -2.086  15.959   6.371
  590   1HD1  ILE  72          1HD1      ILE  72  -0.329  15.721   3.136
  591   2HD1  ILE  72          2HD1      ILE  72   0.846  16.790   3.899
  592   3HD1  ILE  72          3HD1      ILE  72  -0.866  16.935   4.296
  593    H    ALA  73           H        ALA  73   1.567  16.565   9.143
  594    HA   ALA  73           HA       ALA  73   0.085  18.698  10.297
  595   1HB   ALA  73          1HB       ALA  73   1.504  18.171  12.294
  596   2HB   ALA  73          2HB       ALA  73   2.537  17.189  11.256
  597   3HB   ALA  73          3HB       ALA  73   0.856  16.726  11.518
  598    H    ALA  74           H        ALA  74   3.637  18.510   9.824
  599    HA   ALA  74           HA       ALA  74   4.147  21.232  10.603
  600   1HB   ALA  74          1HB       ALA  74   5.792  19.378  10.614
  601   2HB   ALA  74          2HB       ALA  74   6.377  20.743   9.662
  602   3HB   ALA  74          3HB       ALA  74   5.725  19.318   8.853
  603    H    TYR  75           H        TYR  75   3.466  19.704   7.481
  604    HA   TYR  75           HA       TYR  75   4.061  22.108   5.925
  605   1HB   TYR  75          2HB       TYR  75   3.850  19.411   5.445
  606   2HB   TYR  75          1HB       TYR  75   2.327  20.002   4.783
  607    HD1  TYR  75           1HD      TYR  75   5.958  19.940   4.417
  608    HD2  TYR  75           2HD      TYR  75   2.326  21.736   2.990
  609    HE1  TYR  75           1HE      TYR  75   7.158  20.775   2.415
  610    HE2  TYR  75           2HE      TYR  75   3.527  22.571   0.986
  611    HH   TYR  75           HH       TYR  75   6.337  23.104   0.619
  612    H    ARG  76           H        ARG  76   1.312  20.905   7.697
  613    HA   ARG  76           HA       ARG  76  -0.827  22.106   6.224
  614   1HB   ARG  76          2HB       ARG  76  -1.055  20.435   8.039
  615   2HB   ARG  76          1HB       ARG  76  -0.499  21.631   9.208
  616   1HG   ARG  76          2HG       ARG  76  -2.443  22.930   8.993
  617   2HG   ARG  76          1HG       ARG  76  -2.853  22.226   7.430
  618   1HD   ARG  76          2HD       ARG  76  -3.239  20.020   8.603
  619   2HD   ARG  76          1HD       ARG  76  -3.045  20.881  10.144
  620    HE   ARG  76           HE       ARG  76  -4.946  22.128   8.283
  621   1HH1  ARG  76          1HH2      ARG  76  -5.234  22.597  11.150
  622   2HH1  ARG  76          2HH2      ARG  76  -6.493  21.504  11.616
  623   1HH2  ARG  76          1HH1      ARG  76  -6.224  19.557   8.760
  624   2HH2  ARG  76          2HH1      ARG  76  -7.053  19.782  10.263
  625    H    ALA  77           H        ALA  77   0.432  23.361   9.339
  626    HA   ALA  77           HA       ALA  77  -0.380  26.091   8.565
  627   1HB   ALA  77          1HB       ALA  77   0.908  25.019  11.091
  628   2HB   ALA  77          2HB       ALA  77  -0.831  25.043  10.801
  629   3HB   ALA  77          3HB       ALA  77   0.063  26.558  10.915
  630    H    LYS  78           H        LYS  78   2.530  24.197   8.962
  631    HA   LYS  78           HA       LYS  78   4.811  24.700   8.591
  632   1HB   LYS  78          2HB       LYS  78   3.501  25.288   6.417
  633   2HB   LYS  78          1HB       LYS  78   3.773  26.965   6.889
  634   1HG   LYS  78          2HG       LYS  78   6.239  26.392   7.093
  635   2HG   LYS  78          1HG       LYS  78   5.862  24.848   6.328
  636   1HD   LYS  78          2HD       LYS  78   5.137  27.519   5.099
  637   2HD   LYS  78          1HD       LYS  78   6.638  26.666   4.736
  638   1HE   LYS  78          2HE       LYS  78   5.521  24.884   3.673
  639   2HE   LYS  78          1HE       LYS  78   3.977  25.262   4.467
  640   1HZ   LYS  78          1HZ       LYS  78   5.381  27.026   2.529
  641   2HZ   LYS  78          2HZ       LYS  78   3.888  27.346   3.275
  642   3HZ   LYS  78          3HZ       LYS  78   4.031  26.066   2.166
  Start of MODEL    4
    1   1H    MET   1          1HT       MET   1 -12.608  16.451   2.029
    2   2H    MET   1          2HT       MET   1 -11.031  16.146   2.583
    3   3H    MET   1          3HT       MET   1 -12.326  15.189   3.128
    4    HA   MET   1           HA       MET   1 -11.191  13.890   1.515
    5   1HB   MET   1          2HB       MET   1 -13.765  14.245   1.565
    6   2HB   MET   1          1HB       MET   1 -13.519  15.173   0.084
    7   1HG   MET   1          2HG       MET   1 -13.983  12.941  -0.626
    8   2HG   MET   1          1HG       MET   1 -12.242  13.147  -0.810
    9   1HE   MET   1          1HE       MET   1 -14.557  10.644   2.226
   10   2HE   MET   1          2HE       MET   1 -15.020  11.009   0.566
   11   3HE   MET   1          3HE       MET   1 -14.968  12.301   1.761
   12    H    LYS   2           H        LYS   2 -12.037  17.116   0.233
   13    HA   LYS   2           HA       LYS   2 -10.461  16.797  -2.202
   14   1HB   LYS   2          2HB       LYS   2 -11.861  19.061  -0.768
   15   2HB   LYS   2          1HB       LYS   2 -10.947  19.336  -2.252
   16   1HG   LYS   2          2HG       LYS   2 -12.353  17.844  -3.497
   17   2HG   LYS   2          1HG       LYS   2 -13.124  17.245  -2.029
   18   1HD   LYS   2          2HD       LYS   2 -14.323  19.242  -1.695
   19   2HD   LYS   2          1HD       LYS   2 -13.251  20.169  -2.745
   20   1HE   LYS   2          2HE       LYS   2 -14.158  19.171  -4.722
   21   2HE   LYS   2          1HE       LYS   2 -14.993  17.915  -3.786
   22   1HZ   LYS   2          1HZ       LYS   2 -16.288  19.633  -2.691
   23   2HZ   LYS   2          2HZ       LYS   2 -16.506  19.719  -4.375
   24   3HZ   LYS   2          3HZ       LYS   2 -15.499  20.838  -3.586
   25    H    LYS   3           H        LYS   3  -8.253  16.802  -2.146
   26    HA   LYS   3           HA       LYS   3  -6.846  18.314   0.012
   27   1HB   LYS   3          2HB       LYS   3  -6.441  15.862  -1.574
   28   2HB   LYS   3          1HB       LYS   3  -4.981  16.834  -1.391
   29   1HG   LYS   3          2HG       LYS   3  -5.095  15.286   0.471
   30   2HG   LYS   3          1HG       LYS   3  -5.420  16.908   1.084
   31   1HD   LYS   3          2HD       LYS   3  -7.805  16.492   1.101
   32   2HD   LYS   3          1HD       LYS   3  -7.584  14.936   0.299
   33   1HE   LYS   3          2HE       LYS   3  -7.848  14.417   2.625
   34   2HE   LYS   3          1HE       LYS   3  -6.101  14.306   2.327
   35   1HZ   LYS   3          1HZ       LYS   3  -5.874  16.615   3.009
   36   2HZ   LYS   3          2HZ       LYS   3  -6.562  15.695   4.259
   37   3HZ   LYS   3          3HZ       LYS   3  -7.540  16.715   3.314
   38    H    ASP   4           H        ASP   4  -5.201  19.827  -0.541
   39    HA   ASP   4           HA       ASP   4  -5.472  21.023  -3.250
   40   1HB   ASP   4          2HB       ASP   4  -4.716  21.850  -0.503
   41   2HB   ASP   4          1HB       ASP   4  -3.845  22.664  -1.802
   42    HA   PRO   5           HA       PRO   5  -1.471  19.761  -4.596
   43   1HB   PRO   5          2HB       PRO   5  -0.331  22.025  -5.629
   44   2HB   PRO   5          1HB       PRO   5  -1.655  21.155  -6.432
   45   1HG   PRO   5          2HG       PRO   5  -1.744  23.629  -4.780
   46   2HG   PRO   5          1HG       PRO   5  -2.644  23.219  -6.248
   47   1HD   PRO   5          2HD       PRO   5  -3.713  23.083  -3.747
   48   2HD   PRO   5          1HD       PRO   5  -4.250  22.062  -5.100
   49    H    ASN   6           H        ASN   6  -1.510  22.652  -2.559
   50    HA   ASN   6           HA       ASN   6   1.301  22.592  -1.838
   51   1HB   ASN   6          2HB       ASN   6  -1.215  23.852  -0.727
   52   2HB   ASN   6          1HB       ASN   6   0.352  24.080   0.051
   53   1HD2  ASN   6          1HD2      ASN   6   2.152  24.880  -1.524
   54   2HD2  ASN   6          2HD2      ASN   6   1.685  26.005  -2.707
   55    H    ALA   7           H        ALA   7  -1.654  21.178  -0.492
   56    HA   ALA   7           HA       ALA   7  -0.211  20.073   1.850
   57   1HB   ALA   7          1HB       ALA   7  -2.609  21.092   1.700
   58   2HB   ALA   7          2HB       ALA   7  -2.387  19.622   2.647
   59   3HB   ALA   7          3HB       ALA   7  -3.059  19.529   1.020
   60    HA   PRO   8           HA       PRO   8   0.319  16.168  -0.077
   61   1HB   PRO   8          2HB       PRO   8   0.523  14.547   2.090
   62   2HB   PRO   8          1HB       PRO   8   1.806  15.626   1.518
   63   1HG   PRO   8          2HG       PRO   8   0.118  15.859   3.870
   64   2HG   PRO   8          1HG       PRO   8   1.631  16.646   3.438
   65   1HD   PRO   8          2HD       PRO   8  -0.991  17.763   3.322
   66   2HD   PRO   8          1HD       PRO   8   0.558  18.534   2.928
   67    H    LYS   9           H        LYS   9  -0.626  13.837  -0.067
   68    HA   LYS   9           HA       LYS   9  -3.559  13.968   0.560
   69   1HB   LYS   9          2HB       LYS   9  -1.973  12.665  -1.672
   70   2HB   LYS   9          1HB       LYS   9  -3.692  12.370  -1.410
   71   1HG   LYS   9          2HG       LYS   9  -4.286  14.574  -1.944
   72   2HG   LYS   9          1HG       LYS   9  -2.662  15.189  -1.628
   73   1HD   LYS   9          2HD       LYS   9  -2.914  15.160  -4.011
   74   2HD   LYS   9          1HD       LYS   9  -1.878  13.790  -3.605
   75   1HE   LYS   9          2HE       LYS   9  -3.433  12.790  -5.056
   76   2HE   LYS   9          1HE       LYS   9  -4.187  12.486  -3.478
   77   1HZ   LYS   9          1HZ       LYS   9  -5.433  14.537  -3.704
   78   2HZ   LYS   9          2HZ       LYS   9  -5.754  13.518  -5.025
   79   3HZ   LYS   9          3HZ       LYS   9  -4.712  14.847  -5.207
   80    H    ARG  10           H        ARG  10  -4.457  11.587   0.671
   81    HA   ARG  10           HA       ARG  10  -3.452  10.262   2.934
   82   1HB   ARG  10          2HB       ARG  10  -4.905   8.399   2.147
   83   2HB   ARG  10          1HB       ARG  10  -5.694   9.967   1.982
   84   1HG   ARG  10          2HG       ARG  10  -6.085   9.346  -0.165
   85   2HG   ARG  10          1HG       ARG  10  -4.383   9.724  -0.436
   86   1HD   ARG  10          2HD       ARG  10  -3.801   7.518  -0.622
   87   2HD   ARG  10          1HD       ARG  10  -4.903   7.022   0.679
   88    HE   ARG  10           HE       ARG  10  -5.698   7.491  -2.156
   89   1HH1  ARG  10          1HH2      ARG  10  -7.521   8.072   0.390
   90   2HH1  ARG  10          2HH2      ARG  10  -8.543   6.675   0.305
   91   1HH2  ARG  10          1HH1      ARG  10  -6.532   5.016  -1.980
   92   2HH2  ARG  10          2HH1      ARG  10  -7.983   4.945  -1.037
   93    HA   PRO  11           HA       PRO  11   0.171   8.320   1.139
   94   1HB   PRO  11          2HB       PRO  11   0.900   6.820   3.310
   95   2HB   PRO  11          1HB       PRO  11   1.204   8.564   3.197
   96   1HG   PRO  11          2HG       PRO  11  -0.926   7.104   4.668
   97   2HG   PRO  11          1HG       PRO  11  -0.018   8.550   5.134
   98   1HD   PRO  11          2HD       PRO  11  -2.572   8.604   4.167
   99   2HD   PRO  11          1HD       PRO  11  -1.424   9.952   4.010
  100    HA   PRO  12           HA       PRO  12  -1.133   4.283  -0.079
  101   1HB   PRO  12          2HB       PRO  12   1.114   2.720   0.103
  102   2HB   PRO  12          1HB       PRO  12   0.883   3.941  -1.166
  103   1HG   PRO  12          2HG       PRO  12   2.456   4.111   1.361
  104   2HG   PRO  12          1HG       PRO  12   2.857   4.705  -0.259
  105   1HD   PRO  12          2HD       PRO  12   1.943   6.325   1.707
  106   2HD   PRO  12          1HD       PRO  12   1.609   6.620  -0.013
  107    H    SER  13           H        SER  13  -0.448   1.718   0.807
  108    HA   SER  13           HA       SER  13  -0.317   1.468   3.686
  109   1HB   SER  13          2HB       SER  13  -2.504   2.519   3.574
  110   2HB   SER  13          1HB       SER  13  -3.027   1.392   2.325
  111    HG   SER  13           HG       SER  13  -3.227  -0.158   3.791
  112    H    ALA  14           H        ALA  14   1.043   0.043   1.694
  113    HA   ALA  14           HA       ALA  14   1.649  -2.172   1.251
  114   1HB   ALA  14          1HB       ALA  14  -0.763  -3.363   2.506
  115   2HB   ALA  14          2HB       ALA  14   0.238  -2.387   3.581
  116   3HB   ALA  14          3HB       ALA  14   0.939  -3.767   2.736
  117    H    PHE  15           H        PHE  15  -1.945  -2.320   1.273
  118    HA   PHE  15           HA       PHE  15  -2.119  -3.726  -1.205
  119   1HB   PHE  15          2HB       PHE  15  -3.896  -3.562   0.517
  120   2HB   PHE  15          1HB       PHE  15  -4.090  -1.849   0.147
  121    HD1  PHE  15           1HD      PHE  15  -6.069  -1.479  -1.030
  122    HD2  PHE  15           2HD      PHE  15  -3.686  -4.925  -1.978
  123    HE1  PHE  15           1HE      PHE  15  -7.623  -2.045  -2.877
  124    HE2  PHE  15           2HE      PHE  15  -5.239  -5.490  -3.826
  125    HZ   PHE  15           HZ       PHE  15  -7.208  -4.052  -4.276
  126    H    PHE  16           H        PHE  16  -1.650  -0.319  -0.525
  127    HA   PHE  16           HA       PHE  16  -2.564   0.656  -3.108
  128   1HB   PHE  16          2HB       PHE  16  -2.303   1.869  -0.832
  129   2HB   PHE  16          1HB       PHE  16  -0.592   1.992  -1.243
  130    HD1  PHE  16           1HD      PHE  16  -3.984   3.134  -2.038
  131    HD2  PHE  16           2HD      PHE  16   0.149   3.303  -3.196
  132    HE1  PHE  16           1HE      PHE  16  -4.469   5.089  -3.485
  133    HE2  PHE  16           2HE      PHE  16  -0.336   5.259  -4.643
  134    HZ   PHE  16           HZ       PHE  16  -2.645   6.152  -4.787
  135    H    LEU  17           H        LEU  17   0.519  -0.482  -1.810
  136    HA   LEU  17           HA       LEU  17   2.186   0.453  -3.991
  137   1HB   LEU  17          2HB       LEU  17   2.325  -1.630  -1.817
  138   2HB   LEU  17          1HB       LEU  17   3.554  -1.631  -3.077
  139    HG   LEU  17           HG       LEU  17   4.287  -0.307  -1.127
  140   1HD1  LEU  17          1HD1      LEU  17   4.777   0.338  -3.595
  141   2HD1  LEU  17          2HD1      LEU  17   5.110   1.533  -2.341
  142   3HD1  LEU  17          3HD1      LEU  17   3.646   1.662  -3.316
  143   1HD2  LEU  17          1HD2      LEU  17   3.110   1.675  -0.422
  144   2HD2  LEU  17          2HD2      LEU  17   1.933   0.364  -0.466
  145   3HD2  LEU  17          3HD2      LEU  17   1.979   1.551  -1.769
  146    H    PHE  18           H        PHE  18   1.391  -2.903  -3.243
  147    HA   PHE  18           HA       PHE  18   1.754  -4.289  -5.556
  148   1HB   PHE  18          2HB       PHE  18   0.840  -5.269  -3.535
  149   2HB   PHE  18          1HB       PHE  18  -0.649  -4.343  -3.702
  150    HD1  PHE  18           1HD      PHE  18  -2.437  -5.115  -5.074
  151    HD2  PHE  18           2HD      PHE  18   1.387  -7.065  -5.229
  152    HE1  PHE  18           1HE      PHE  18  -3.433  -6.959  -6.399
  153    HE2  PHE  18           2HE      PHE  18   0.391  -8.909  -6.557
  154    HZ   PHE  18           HZ       PHE  18  -2.021  -8.860  -7.138
  155    H    CYS  19           H        CYS  19  -1.392  -2.572  -4.982
  156    HA   CYS  19           HA       CYS  19  -2.359  -2.962  -7.648
  157   1HB   CYS  19          2HB       CYS  19  -3.700  -2.411  -5.612
  158   2HB   CYS  19          1HB       CYS  19  -3.000  -0.795  -5.625
  159    HG   CYS  19           HG       CYS  19  -4.980  -0.314  -7.072
  160    H    SER  20           H        SER  20  -0.629  -0.233  -6.137
  161    HA   SER  20           HA       SER  20  -0.775   1.637  -8.250
  162   1HB   SER  20          2HB       SER  20   0.078   2.229  -6.084
  163   2HB   SER  20          1HB       SER  20   1.357   1.025  -6.190
  164    HG   SER  20           HG       SER  20   1.044   3.417  -7.674
  165    H    GLU  21           H        GLU  21   1.273  -1.238  -7.966
  166    HA   GLU  21           HA       GLU  21   2.864  -0.413 -10.329
  167   1HB   GLU  21          2HB       GLU  21   4.179  -2.430  -9.751
  168   2HB   GLU  21          1HB       GLU  21   3.972  -1.372  -8.359
  169   1HG   GLU  21          2HG       GLU  21   2.469  -2.814  -7.315
  170   2HG   GLU  21          1HG       GLU  21   1.988  -3.575  -8.831
  171    H    HIS  22           H        HIS  22   0.181  -2.553  -9.538
  172    HA   HIS  22           HA       HIS  22   0.469  -4.117 -12.022
  173   1HB   HIS  22          2HB       HIS  22  -1.239  -4.064  -9.566
  174   2HB   HIS  22          1HB       HIS  22  -1.884  -4.867 -10.998
  175    HD1  HIS  22           1HD      HIS  22  -0.286  -6.783 -12.054
  176    HD2  HIS  22           2HD      HIS  22   0.642  -5.568  -8.176
  177    HE1  HIS  22           1HE      HIS  22   1.228  -8.568 -11.087
  178    H    ARG  23           H        ARG  23  -1.618  -1.572 -10.687
  179    HA   ARG  23           HA       ARG  23  -3.735  -1.375 -12.410
  180   1HB   ARG  23          2HB       ARG  23  -2.751   0.143 -10.481
  181   2HB   ARG  23          1HB       ARG  23  -2.183   1.116 -11.834
  182   1HG   ARG  23          2HG       ARG  23  -4.375   1.488 -12.643
  183   2HG   ARG  23          1HG       ARG  23  -5.043   0.178 -11.668
  184   1HD   ARG  23          2HD       ARG  23  -5.602   2.363 -10.656
  185   2HD   ARG  23          1HD       ARG  23  -4.478   1.482  -9.602
  186    HE   ARG  23           HE       ARG  23  -2.651   2.813 -10.892
  187   1HH1  ARG  23          1HH1      ARG  23  -4.232   4.246  -8.665
  188   2HH1  ARG  23          2HH1      ARG  23  -4.544   5.768  -9.430
  189   1HH2  ARG  23          1HH2      ARG  23  -3.752   4.632 -12.609
  190   2HH2  ARG  23          2HH2      ARG  23  -4.272   5.987 -11.663
  191    HA   PRO  24           HA       PRO  24  -1.305   0.951 -15.827
  192   1HB   PRO  24          2HB       PRO  24   1.426   0.731 -15.856
  193   2HB   PRO  24          1HB       PRO  24   0.569   2.061 -15.051
  194   1HG   PRO  24          2HG       PRO  24   1.743  -0.415 -13.880
  195   2HG   PRO  24          1HG       PRO  24   1.767   1.246 -13.265
  196   1HD   PRO  24          2HD       PRO  24   0.088  -0.635 -12.309
  197   2HD   PRO  24          1HD       PRO  24  -0.336   1.086 -12.364
  198    H    LYS  25           H        LYS  25  -0.235  -2.122 -14.533
  199    HA   LYS  25           HA       LYS  25   0.594  -3.249 -17.108
  200   1HB   LYS  25          2HB       LYS  25   1.502  -3.906 -14.872
  201   2HB   LYS  25          1HB       LYS  25  -0.085  -4.548 -14.447
  202   1HG   LYS  25          2HG       LYS  25   0.026  -6.185 -16.223
  203   2HG   LYS  25          1HG       LYS  25   1.509  -5.467 -16.854
  204   1HD   LYS  25          2HD       LYS  25   2.770  -6.150 -14.945
  205   2HD   LYS  25          1HD       LYS  25   1.312  -6.562 -14.043
  206   1HE   LYS  25          2HE       LYS  25   0.862  -8.454 -15.478
  207   2HE   LYS  25          1HE       LYS  25   2.146  -7.967 -16.604
  208   1HZ   LYS  25          1HZ       LYS  25   2.525  -8.676 -13.741
  209   2HZ   LYS  25          2HZ       LYS  25   3.752  -8.174 -14.804
  210   3HZ   LYS  25          3HZ       LYS  25   2.952  -9.651 -15.062
  211    H    ILE  26           H        ILE  26  -2.283  -3.350 -15.020
  212    HA   ILE  26           HA       ILE  26  -3.735  -5.311 -16.585
  213    HB   ILE  26           HB       ILE  26  -4.699  -3.145 -14.684
  214   1HG1  ILE  26          2HG1      ILE  26  -3.009  -4.575 -13.623
  215   2HG1  ILE  26          1HG1      ILE  26  -4.600  -4.933 -12.964
  216   1HG2  ILE  26          1HG2      ILE  26  -6.463  -5.084 -14.316
  217   2HG2  ILE  26          2HG2      ILE  26  -5.982  -5.539 -15.951
  218   3HG2  ILE  26          3HG2      ILE  26  -6.656  -3.939 -15.644
  219   1HD1  ILE  26          1HD1      ILE  26  -3.534  -7.047 -13.393
  220   2HD1  ILE  26          2HD1      ILE  26  -3.060  -6.544 -15.016
  221   3HD1  ILE  26          3HD1      ILE  26  -4.760  -6.829 -14.644
  222    H    LYS  27           H        LYS  27  -3.025  -1.972 -17.106
  223    HA   LYS  27           HA       LYS  27  -5.435  -1.286 -18.601
  224   1HB   LYS  27          2HB       LYS  27  -2.728  -0.108 -18.038
  225   2HB   LYS  27          1HB       LYS  27  -3.736   0.603 -19.300
  226   1HG   LYS  27          2HG       LYS  27  -5.573   0.899 -17.703
  227   2HG   LYS  27          1HG       LYS  27  -4.610   0.138 -16.436
  228   1HD   LYS  27          2HD       LYS  27  -3.003   1.925 -16.468
  229   2HD   LYS  27          1HD       LYS  27  -3.717   2.618 -17.925
  230   1HE   LYS  27          2HE       LYS  27  -5.621   3.402 -16.772
  231   2HE   LYS  27          1HE       LYS  27  -5.356   2.299 -15.407
  232   1HZ   LYS  27          1HZ       LYS  27  -4.600   4.554 -14.892
  233   2HZ   LYS  27          2HZ       LYS  27  -3.529   4.503 -16.211
  234   3HZ   LYS  27          3HZ       LYS  27  -3.309   3.454 -14.893
  235    H    SER  28           H        SER  28  -2.461  -2.947 -19.349
  236    HA   SER  28           HA       SER  28  -2.447  -2.387 -22.209
  237   1HB   SER  28          2HB       SER  28  -0.474  -3.040 -20.816
  238   2HB   SER  28          1HB       SER  28  -1.195  -4.632 -20.592
  239    HG   SER  28           HG       SER  28   0.126  -4.836 -22.326
  240    H    GLU  29           H        GLU  29  -3.581  -5.086 -20.170
  241    HA   GLU  29           HA       GLU  29  -4.700  -6.484 -22.538
  242   1HB   GLU  29          2HB       GLU  29  -4.183  -7.073 -19.639
  243   2HB   GLU  29          1HB       GLU  29  -5.307  -8.091 -20.539
  244   1HG   GLU  29          2HG       GLU  29  -2.549  -7.458 -21.594
  245   2HG   GLU  29          1HG       GLU  29  -2.840  -8.826 -20.519
  246    H    HIS  30           H        HIS  30  -5.788  -3.988 -20.640
  247    HA   HIS  30           HA       HIS  30  -8.623  -4.693 -21.170
  248   1HB   HIS  30          2HB       HIS  30  -7.531  -3.915 -18.443
  249   2HB   HIS  30          1HB       HIS  30  -9.229  -4.168 -18.828
  250    HD1  HIS  30           1HD      HIS  30 -10.060  -6.588 -19.066
  251    HD2  HIS  30           2HD      HIS  30  -5.961  -6.316 -18.382
  252    HE1  HIS  30           1HE      HIS  30  -9.268  -8.935 -18.538
  253    HA   PRO  31           HA       PRO  31  -7.497  -0.276 -22.020
  254   1HB   PRO  31          2HB       PRO  31  -9.003  -0.085 -24.308
  255   2HB   PRO  31          1HB       PRO  31  -7.327  -0.672 -24.297
  256   1HG   PRO  31          2HG       PRO  31  -9.874  -2.232 -24.343
  257   2HG   PRO  31          1HG       PRO  31  -8.380  -2.489 -25.262
  258   1HD   PRO  31          2HD       PRO  31  -8.976  -3.953 -23.077
  259   2HD   PRO  31          1HD       PRO  31  -7.305  -3.507 -23.490
  260    H    GLY  32           H        GLY  32  -8.714   0.781 -20.462
  261   1HA   GLY  32          2HA       GLY  32 -10.740   2.205 -20.218
  262   2HA   GLY  32          1HA       GLY  32 -11.675   0.862 -20.873
  263    H    LEU  33           H        LEU  33  -9.825  -0.958 -19.144
  264    HA   LEU  33           HA       LEU  33 -11.495  -1.687 -17.087
  265   1HB   LEU  33          2HB       LEU  33  -9.049  -2.382 -17.967
  266   2HB   LEU  33          1HB       LEU  33  -8.581  -1.577 -16.473
  267    HG   LEU  33           HG       LEU  33  -8.930  -3.993 -16.115
  268   1HD1  LEU  33          1HD1      LEU  33  -9.494  -2.234 -14.367
  269   2HD1  LEU  33          2HD1      LEU  33 -10.270  -3.804 -14.154
  270   3HD1  LEU  33          3HD1      LEU  33 -11.184  -2.453 -14.822
  271   1HD2  LEU  33          1HD2      LEU  33 -10.786  -5.132 -16.805
  272   2HD2  LEU  33          2HD2      LEU  33 -10.963  -3.784 -17.926
  273   3HD2  LEU  33          3HD2      LEU  33 -11.871  -3.798 -16.415
  274    H    SER  34           H        SER  34 -12.251  -0.781 -15.268
  275    HA   SER  34           HA       SER  34 -11.009   1.735 -14.247
  276   1HB   SER  34          2HB       SER  34 -13.305   1.845 -13.127
  277   2HB   SER  34          1HB       SER  34 -13.305   1.920 -14.884
  278    HG   SER  34           HG       SER  34 -14.785   0.393 -14.379
  279    H    ILE  35           H        ILE  35 -11.914   1.811 -11.702
  280    HA   ILE  35           HA       ILE  35 -10.225  -0.134 -10.304
  281    HB   ILE  35           HB       ILE  35 -12.087   2.062  -9.337
  282   1HG1  ILE  35          2HG1      ILE  35 -10.314   2.904 -10.835
  283   2HG1  ILE  35          1HG1      ILE  35 -10.022   3.418  -9.176
  284   1HG2  ILE  35          1HG2      ILE  35 -11.628   0.611  -7.495
  285   2HG2  ILE  35          2HG2      ILE  35 -10.524   1.976  -7.323
  286   3HG2  ILE  35          3HG2      ILE  35  -9.935   0.441  -7.960
  287   1HD1  ILE  35          1HD1      ILE  35  -8.461   1.467  -8.910
  288   2HD1  ILE  35          2HD1      ILE  35  -7.923   2.633 -10.118
  289   3HD1  ILE  35          3HD1      ILE  35  -8.671   1.120 -10.626
  290    H    GLY  36           H        GLY  36 -13.395  -0.301 -11.458
  291   1HA   GLY  36          2HA       GLY  36 -14.456  -1.805  -9.143
  292   2HA   GLY  36          1HA       GLY  36 -15.360  -1.369 -10.593
  293    H    ASP  37           H        ASP  37 -12.225  -2.709 -11.143
  294    HA   ASP  37           HA       ASP  37 -13.268  -5.475 -11.430
  295   1HB   ASP  37          2HB       ASP  37 -12.290  -3.639 -13.619
  296   2HB   ASP  37          1HB       ASP  37 -12.286  -5.390 -13.814
  297    H    THR  38           H        THR  38 -10.455  -3.391 -12.237
  298    HA   THR  38           HA       THR  38  -8.476  -5.447 -11.904
  299    HB   THR  38           HB       THR  38  -8.500  -2.415 -11.898
  300    HG1  THR  38           1HG      THR  38  -7.614  -2.730 -13.898
  301   1HG2  THR  38          1HG2      THR  38  -6.062  -2.396 -11.931
  302   2HG2  THR  38          2HG2      THR  38  -6.015  -4.153 -11.810
  303   3HG2  THR  38          3HG2      THR  38  -6.600  -3.192 -10.452
  304    H    ALA  39           H        ALA  39  -9.908  -3.092  -9.660
  305    HA   ALA  39           HA       ALA  39  -8.172  -3.558  -7.424
  306   1HB   ALA  39          1HB       ALA  39 -11.116  -2.804  -7.511
  307   2HB   ALA  39          2HB       ALA  39  -9.779  -1.670  -7.707
  308   3HB   ALA  39          3HB       ALA  39 -10.010  -2.502  -6.170
  309    H    LYS  40           H        LYS  40 -11.033  -5.237  -8.637
  310    HA   LYS  40           HA       LYS  40 -11.326  -6.975  -6.305
  311   1HB   LYS  40          2HB       LYS  40 -12.503  -6.650  -9.043
  312   2HB   LYS  40          1HB       LYS  40 -12.767  -8.177  -8.201
  313   1HG   LYS  40          2HG       LYS  40 -13.666  -6.949  -6.254
  314   2HG   LYS  40          1HG       LYS  40 -13.416  -5.424  -7.105
  315   1HD   LYS  40          2HD       LYS  40 -14.858  -6.543  -8.986
  316   2HD   LYS  40          1HD       LYS  40 -15.397  -7.608  -7.687
  317   1HE   LYS  40          2HE       LYS  40 -15.862  -5.437  -6.350
  318   2HE   LYS  40          1HE       LYS  40 -15.746  -4.615  -7.919
  319   1HZ   LYS  40          1HZ       LYS  40 -17.472  -6.967  -7.344
  320   2HZ   LYS  40          2HZ       LYS  40 -17.371  -6.137  -8.823
  321   3HZ   LYS  40          3HZ       LYS  40 -18.020  -5.365  -7.456
  322    H    LYS  41           H        LYS  41  -9.679  -7.102  -9.428
  323    HA   LYS  41           HA       LYS  41  -9.001  -9.959  -9.185
  324   1HB   LYS  41          2HB       LYS  41  -9.468  -8.603 -11.306
  325   2HB   LYS  41          1HB       LYS  41  -7.881  -7.870 -11.068
  326   1HG   LYS  41          2HG       LYS  41  -7.042 -10.337 -10.883
  327   2HG   LYS  41          1HG       LYS  41  -8.560 -10.734 -11.690
  328   1HD   LYS  41          2HD       LYS  41  -6.694  -8.618 -12.769
  329   2HD   LYS  41          1HD       LYS  41  -6.523 -10.319 -13.204
  330   1HE   LYS  41          2HE       LYS  41  -8.943 -10.301 -13.938
  331   2HE   LYS  41          1HE       LYS  41  -8.933  -8.542 -13.697
  332   1HZ   LYS  41          1HZ       LYS  41  -7.023  -8.381 -15.167
  333   2HZ   LYS  41          2HZ       LYS  41  -8.325  -9.115 -15.975
  334   3HZ   LYS  41          3HZ       LYS  41  -7.033 -10.060 -15.407
  335    H    LEU  42           H        LEU  42  -7.631  -6.927  -8.181
  336    HA   LEU  42           HA       LEU  42  -4.871  -7.954  -7.968
  337   1HB   LEU  42          2HB       LEU  42  -6.353  -5.411  -7.787
  338   2HB   LEU  42          1HB       LEU  42  -5.010  -5.538  -6.657
  339    HG   LEU  42           HG       LEU  42  -3.502  -6.140  -8.524
  340   1HD1  LEU  42          1HD1      LEU  42  -5.365  -7.120  -9.948
  341   2HD1  LEU  42          2HD1      LEU  42  -4.244  -6.067 -10.811
  342   3HD1  LEU  42          3HD1      LEU  42  -5.831  -5.465 -10.338
  343   1HD2  LEU  42          1HD2      LEU  42  -4.954  -3.658  -9.380
  344   2HD2  LEU  42          2HD2      LEU  42  -3.218  -3.941  -9.237
  345   3HD2  LEU  42          3HD2      LEU  42  -4.198  -3.717  -7.788
  346    H    GLY  43           H        GLY  43  -7.281  -6.610  -5.666
  347   1HA   GLY  43          2HA       GLY  43  -5.968  -7.250  -3.264
  348   2HA   GLY  43          1HA       GLY  43  -7.727  -7.182  -3.421
  349    H    GLU  44           H        GLU  44  -7.660  -9.362  -5.483
  350    HA   GLU  44           HA       GLU  44  -7.891 -11.639  -3.682
  351   1HB   GLU  44          2HB       GLU  44  -9.236 -11.225  -5.772
  352   2HB   GLU  44          1HB       GLU  44  -7.773 -11.500  -6.718
  353   1HG   GLU  44          2HG       GLU  44  -7.598 -13.774  -5.899
  354   2HG   GLU  44          1HG       GLU  44  -8.934 -13.516  -4.777
  355    H    MET  45           H        MET  45  -5.535 -10.480  -6.079
  356    HA   MET  45           HA       MET  45  -3.758 -12.784  -5.771
  357   1HB   MET  45          2HB       MET  45  -3.744 -10.114  -7.173
  358   2HB   MET  45          1HB       MET  45  -2.268 -11.079  -7.095
  359   1HG   MET  45          2HG       MET  45  -3.696 -13.028  -7.975
  360   2HG   MET  45          1HG       MET  45  -4.910 -11.809  -8.367
  361   1HE   MET  45          1HE       MET  45  -3.120  -9.429 -10.782
  362   2HE   MET  45          2HE       MET  45  -3.291  -9.308  -9.032
  363   3HE   MET  45          3HE       MET  45  -4.638  -9.894 -10.004
  364    H    TRP  46           H        TRP  46  -3.834  -9.385  -4.656
  365    HA   TRP  46           HA       TRP  46  -1.336  -9.169  -3.364
  366   1HB   TRP  46          2HB       TRP  46  -2.901  -7.331  -3.630
  367   2HB   TRP  46          1HB       TRP  46  -4.095  -8.127  -2.614
  368    HD1  TRP  46           HD       TRP  46  -4.158  -7.036  -0.316
  369    HE1  TRP  46           1HE      TRP  46  -2.427  -6.023   1.305
  370    HE3  TRP  46           3HE      TRP  46   0.069  -7.646  -3.079
  371    HZ2  TRP  46           2HZ      TRP  46   0.396  -5.541   1.405
  372    HZ3  TRP  46           3HZ      TRP  46   2.270  -6.906  -2.210
  373    HH2  TRP  46           HH       TRP  46   2.433  -5.861   0.024
  374    H    SER  47           H        SER  47  -4.393 -10.477  -2.022
  375    HA   SER  47           HA       SER  47  -3.304 -11.205   0.543
  376   1HB   SER  47          2HB       SER  47  -5.740 -10.897  -0.266
  377   2HB   SER  47          1HB       SER  47  -5.607 -12.538  -0.893
  378    HG   SER  47           HG       SER  47  -5.460 -11.610   1.769
  379    H    GLU  48           H        GLU  48  -2.682 -12.526  -2.542
  380    HA   GLU  48           HA       GLU  48  -2.085 -15.224  -1.447
  381   1HB   GLU  48          2HB       GLU  48  -2.757 -14.047  -4.136
  382   2HB   GLU  48          1HB       GLU  48  -1.923 -15.597  -4.038
  383   1HG   GLU  48          2HG       GLU  48  -4.408 -15.107  -2.412
  384   2HG   GLU  48          1HG       GLU  48  -4.529 -15.598  -4.101
  385    H    GLN  49           H        GLN  49  -0.594 -12.250  -2.464
  386    HA   GLN  49           HA       GLN  49   1.830 -13.223  -3.602
  387   1HB   GLN  49          2HB       GLN  49   1.224 -10.789  -1.881
  388   2HB   GLN  49          1HB       GLN  49   2.679 -10.984  -2.855
  389   1HG   GLN  49          2HG       GLN  49  -0.153 -10.950  -3.927
  390   2HG   GLN  49          1HG       GLN  49   0.988  -9.616  -4.027
  391   1HE2  GLN  49          1HE2      GLN  49  -0.235 -11.174  -6.280
  392   2HE2  GLN  49          2HE2      GLN  49   1.072 -11.820  -7.149
  393    H    SER  50           H        SER  50   3.775 -13.823  -2.617
  394    HA   SER  50           HA       SER  50   3.606 -14.696   0.208
  395   1HB   SER  50          2HB       SER  50   5.564 -16.006  -0.401
  396   2HB   SER  50          1HB       SER  50   4.403 -16.140  -1.718
  397    HG   SER  50           HG       SER  50   6.009 -15.443  -2.886
  398    H    ALA  51           H        ALA  51   6.576 -14.459   0.498
  399    HA   ALA  51           HA       ALA  51   6.647 -11.721   1.520
  400   1HB   ALA  51          1HB       ALA  51   8.528 -14.083   1.411
  401   2HB   ALA  51          2HB       ALA  51   7.711 -13.399   2.817
  402   3HB   ALA  51          3HB       ALA  51   9.049 -12.531   2.065
  403    H    LYS  52           H        LYS  52   7.164 -12.969  -1.583
  404    HA   LYS  52           HA       LYS  52   9.478 -11.311  -2.303
  405   1HB   LYS  52          2HB       LYS  52   8.578 -13.615  -3.230
  406   2HB   LYS  52          1HB       LYS  52   7.559 -12.584  -4.235
  407   1HG   LYS  52          2HG       LYS  52   9.446 -11.523  -5.237
  408   2HG   LYS  52          1HG       LYS  52  10.550 -12.193  -4.035
  409   1HD   LYS  52          2HD       LYS  52  10.892 -13.598  -5.885
  410   2HD   LYS  52          1HD       LYS  52   9.729 -14.506  -4.917
  411   1HE   LYS  52          2HE       LYS  52   7.906 -13.311  -6.313
  412   2HE   LYS  52          1HE       LYS  52   9.224 -12.906  -7.431
  413   1HZ   LYS  52          1HZ       LYS  52   8.162 -15.069  -7.933
  414   2HZ   LYS  52          2HZ       LYS  52   8.667 -15.642  -6.415
  415   3HZ   LYS  52          3HZ       LYS  52   9.817 -15.207  -7.588
  416    H    ASP  53           H        ASP  53   5.955 -11.274  -2.854
  417    HA   ASP  53           HA       ASP  53   6.194  -8.430  -3.791
  418   1HB   ASP  53          2HB       ASP  53   4.761 -10.831  -4.745
  419   2HB   ASP  53          1HB       ASP  53   3.779  -9.368  -4.693
  420    H    LYS  54           H        LYS  54   6.099  -8.687  -1.132
  421    HA   LYS  54           HA       LYS  54   3.558  -7.496  -0.381
  422   1HB   LYS  54          2HB       LYS  54   3.589 -10.210  -0.539
  423   2HB   LYS  54          1HB       LYS  54   4.060  -9.977   1.139
  424   1HG   LYS  54          2HG       LYS  54   2.055  -8.353   1.280
  425   2HG   LYS  54          1HG       LYS  54   1.547  -9.039  -0.258
  426   1HD   LYS  54          2HD       LYS  54   0.425 -10.219   1.548
  427   2HD   LYS  54          1HD       LYS  54   1.580 -11.303   0.770
  428   1HE   LYS  54          2HE       LYS  54   3.033 -11.284   2.593
  429   2HE   LYS  54          1HE       LYS  54   2.487  -9.685   3.138
  430   1HZ   LYS  54          1HZ       LYS  54   0.282 -10.711   3.567
  431   2HZ   LYS  54          2HZ       LYS  54   1.516 -11.311   4.570
  432   3HZ   LYS  54          3HZ       LYS  54   0.964 -12.233   3.254
  433    H    GLN  55           H        GLN  55   6.636  -8.930   0.661
  434    HA   GLN  55           HA       GLN  55   6.621  -7.762   3.318
  435   1HB   GLN  55          2HB       GLN  55   8.485  -9.205   1.501
  436   2HB   GLN  55          1HB       GLN  55   9.221  -8.262   2.797
  437   1HG   GLN  55          2HG       GLN  55   7.008 -10.287   3.227
  438   2HG   GLN  55          1HG       GLN  55   8.722 -10.642   3.440
  439   1HE2  GLN  55          1HE2      GLN  55   5.940  -9.346   4.999
  440   2HE2  GLN  55          2HE2      GLN  55   6.723  -8.721   6.369
  441    HA   PRO  56           HA       PRO  56   9.508  -4.457   1.409
  442   1HB   PRO  56          2HB       PRO  56   9.760  -4.330  -1.312
  443   2HB   PRO  56          1HB       PRO  56  10.832  -5.304  -0.285
  444   1HG   PRO  56          2HG       PRO  56   8.494  -6.154  -1.923
  445   2HG   PRO  56          1HG       PRO  56  10.051  -6.960  -1.674
  446   1HD   PRO  56          2HD       PRO  56   7.777  -7.700  -0.402
  447   2HD   PRO  56          1HD       PRO  56   9.394  -7.912   0.302
  448    H    TYR  57           H        TYR  57   6.415  -5.327   0.193
  449    HA   TYR  57           HA       TYR  57   5.771  -2.735  -1.026
  450   1HB   TYR  57          2HB       TYR  57   4.308  -5.284  -0.327
  451   2HB   TYR  57          1HB       TYR  57   3.444  -3.877  -0.949
  452    HD1  TYR  57           1HD      TYR  57   3.253  -3.597  -3.258
  453    HD2  TYR  57           2HD      TYR  57   6.459  -5.985  -1.692
  454    HE1  TYR  57           1HE      TYR  57   3.933  -4.195  -5.563
  455    HE2  TYR  57           2HE      TYR  57   7.141  -6.583  -4.000
  456    HH   TYR  57           HH       TYR  57   6.514  -5.053  -6.554
  457    H    GLU  58           H        GLU  58   4.969  -4.470   1.990
  458    HA   GLU  58           HA       GLU  58   3.309  -2.347   3.062
  459   1HB   GLU  58          2HB       GLU  58   3.502  -3.715   5.139
  460   2HB   GLU  58          1HB       GLU  58   3.079  -4.684   3.731
  461   1HG   GLU  58          2HG       GLU  58   5.014  -5.867   3.816
  462   2HG   GLU  58          1HG       GLU  58   5.979  -4.426   4.130
  463    H    GLN  59           H        GLN  59   6.758  -2.864   2.928
  464    HA   GLN  59           HA       GLN  59   7.427  -1.218   5.247
  465   1HB   GLN  59          2HB       GLN  59   8.888  -2.386   2.869
  466   2HB   GLN  59          1HB       GLN  59   9.712  -1.340   4.027
  467   1HG   GLN  59          2HG       GLN  59   8.988  -2.860   5.865
  468   2HG   GLN  59          1HG       GLN  59   8.275  -3.934   4.661
  469   1HE2  GLN  59          1HE2      GLN  59   9.693  -5.300   3.452
  470   2HE2  GLN  59          2HE2      GLN  59  11.369  -5.357   3.714
  471    H    LYS  60           H        LYS  60   8.153  -0.703   1.777
  472    HA   LYS  60           HA       LYS  60   8.758   1.997   1.752
  473   1HB   LYS  60          2HB       LYS  60   8.627   0.200  -0.108
  474   2HB   LYS  60          1HB       LYS  60   6.961   0.737  -0.321
  475   1HG   LYS  60          2HG       LYS  60   7.765   3.056  -0.666
  476   2HG   LYS  60          1HG       LYS  60   9.428   2.492  -0.500
  477   1HD   LYS  60          2HD       LYS  60   8.930   0.872  -2.409
  478   2HD   LYS  60          1HD       LYS  60   7.442   1.782  -2.667
  479   1HE   LYS  60          2HE       LYS  60  10.098   3.214  -2.524
  480   2HE   LYS  60          1HE       LYS  60   9.528   2.497  -4.045
  481   1HZ   LYS  60          1HZ       LYS  60   8.003   4.395  -2.338
  482   2HZ   LYS  60          2HZ       LYS  60   7.426   3.672  -3.764
  483   3HZ   LYS  60          3HZ       LYS  60   8.724   4.766  -3.829
  484    H    ALA  61           H        ALA  61   5.541   0.603   2.155
  485    HA   ALA  61           HA       ALA  61   4.182   3.201   1.788
  486   1HB   ALA  61          1HB       ALA  61   2.905   0.761   2.968
  487   2HB   ALA  61          2HB       ALA  61   3.432   0.688   1.287
  488   3HB   ALA  61          3HB       ALA  61   2.254   1.901   1.790
  489    H    ALA  62           H        ALA  62   5.119   0.966   4.385
  490    HA   ALA  62           HA       ALA  62   3.805   2.185   6.591
  491   1HB   ALA  62          1HB       ALA  62   6.458   0.745   6.288
  492   2HB   ALA  62          2HB       ALA  62   4.912   0.048   6.773
  493   3HB   ALA  62          3HB       ALA  62   5.762   1.151   7.856
  494    H    LYS  63           H        LYS  63   7.168   2.766   5.426
  495    HA   LYS  63           HA       LYS  63   7.659   5.002   7.175
  496   1HB   LYS  63          2HB       LYS  63   9.337   3.537   5.989
  497   2HB   LYS  63          1HB       LYS  63   8.892   4.339   4.482
  498   1HG   LYS  63          2HG       LYS  63   9.426   6.544   5.693
  499   2HG   LYS  63          1HG       LYS  63  10.209   5.545   6.918
  500   1HD   LYS  63          2HD       LYS  63  10.870   5.398   3.965
  501   2HD   LYS  63          1HD       LYS  63  11.770   6.381   5.120
  502   1HE   LYS  63          2HE       LYS  63  11.321   3.470   5.734
  503   2HE   LYS  63          1HE       LYS  63  12.604   3.934   4.599
  504   1HZ   LYS  63          1HZ       LYS  63  13.478   5.469   6.214
  505   2HZ   LYS  63          2HZ       LYS  63  13.373   3.930   6.924
  506   3HZ   LYS  63          3HZ       LYS  63  12.220   5.121   7.297
  507    H    LEU  64           H        LEU  64   5.757   4.702   4.309
  508    HA   LEU  64           HA       LEU  64   6.016   7.526   3.496
  509   1HB   LEU  64          2HB       LEU  64   4.698   5.012   2.568
  510   2HB   LEU  64          1HB       LEU  64   3.947   6.530   2.074
  511    HG   LEU  64           HG       LEU  64   6.894   5.929   1.713
  512   1HD1  LEU  64          1HD1      LEU  64   6.474   5.192  -0.461
  513   2HD1  LEU  64          2HD1      LEU  64   4.895   5.971  -0.528
  514   3HD1  LEU  64          3HD1      LEU  64   5.110   4.495   0.412
  515   1HD2  LEU  64          1HD2      LEU  64   5.015   8.122   0.813
  516   2HD2  LEU  64          2HD2      LEU  64   6.554   7.826   0.004
  517   3HD2  LEU  64          3HD2      LEU  64   6.527   8.281   1.707
  518    H    LYS  65           H        LYS  65   3.750   5.391   5.176
  519    HA   LYS  65           HA       LYS  65   1.572   7.256   5.432
  520   1HB   LYS  65          2HB       LYS  65   1.437   4.793   5.734
  521   2HB   LYS  65          1HB       LYS  65   2.440   4.924   7.180
  522   1HG   LYS  65          2HG       LYS  65   0.741   5.812   8.444
  523   2HG   LYS  65          1HG       LYS  65   0.026   6.662   7.074
  524   1HD   LYS  65          2HD       LYS  65  -0.420   4.140   6.264
  525   2HD   LYS  65          1HD       LYS  65  -0.408   3.864   8.006
  526   1HE   LYS  65          2HE       LYS  65  -2.370   5.007   8.325
  527   2HE   LYS  65          1HE       LYS  65  -1.973   6.223   7.094
  528   1HZ   LYS  65          1HZ       LYS  65  -2.623   3.395   6.464
  529   2HZ   LYS  65          2HZ       LYS  65  -2.446   4.682   5.366
  530   3HZ   LYS  65          3HZ       LYS  65  -3.771   4.644   6.429
  531    H    GLU  66           H        GLU  66   4.061   6.226   7.788
  532    HA   GLU  66           HA       GLU  66   3.492   8.056   9.864
  533   1HB   GLU  66          2HB       GLU  66   5.855   7.629  10.512
  534   2HB   GLU  66          1HB       GLU  66   5.038   6.147  10.019
  535   1HG   GLU  66          2HG       GLU  66   6.997   5.944   8.801
  536   2HG   GLU  66          1HG       GLU  66   6.005   6.816   7.631
  537    H    LYS  67           H        LYS  67   5.262   8.550   6.851
  538    HA   LYS  67           HA       LYS  67   6.462  11.093   7.503
  539   1HB   LYS  67          2HB       LYS  67   6.973   9.454   5.597
  540   2HB   LYS  67          1HB       LYS  67   5.552  10.111   4.783
  541   1HG   LYS  67          2HG       LYS  67   6.535  12.383   4.931
  542   2HG   LYS  67          1HG       LYS  67   7.971  11.700   5.695
  543   1HD   LYS  67          2HD       LYS  67   8.484  10.402   3.718
  544   2HD   LYS  67          1HD       LYS  67   6.959  10.864   2.963
  545   1HE   LYS  67          2HE       LYS  67   7.660  13.132   2.689
  546   2HE   LYS  67          1HE       LYS  67   9.039  12.911   3.785
  547   1HZ   LYS  67          1HZ       LYS  67   9.946  11.268   2.267
  548   2HZ   LYS  67          2HZ       LYS  67   9.730  12.750   1.463
  549   3HZ   LYS  67          3HZ       LYS  67   8.635  11.475   1.213
  550    H    TYR  68           H        TYR  68   3.267  10.110   6.424
  551    HA   TYR  68           HA       TYR  68   2.306  12.688   5.529
  552   1HB   TYR  68          2HB       TYR  68   1.377  10.353   5.102
  553   2HB   TYR  68          1HB       TYR  68   0.759  10.376   6.749
  554    HD1  TYR  68           1HD      TYR  68   0.911  12.924   3.987
  555    HD2  TYR  68           2HD      TYR  68  -1.534  10.751   6.771
  556    HE1  TYR  68           1HE      TYR  68  -1.087  14.167   3.204
  557    HE2  TYR  68           2HE      TYR  68  -3.532  11.995   5.990
  558    HH   TYR  68           HH       TYR  68  -4.140  13.229   3.684
  559    H    GLU  69           H        GLU  69   2.417  11.013   8.630
  560    HA   GLU  69           HA       GLU  69   0.732  12.698  10.184
  561   1HB   GLU  69          2HB       GLU  69   3.256  11.176  10.922
  562   2HB   GLU  69          1HB       GLU  69   2.046  11.748  12.070
  563   1HG   GLU  69          2HG       GLU  69   0.418  10.411  10.409
  564   2HG   GLU  69          1HG       GLU  69   1.897   9.492  10.127
  565    H    LYS  70           H        LYS  70   4.220  12.961   9.440
  566    HA   LYS  70           HA       LYS  70   4.534  15.429  10.998
  567   1HB   LYS  70          2HB       LYS  70   6.257  13.857   9.054
  568   2HB   LYS  70          1HB       LYS  70   6.822  15.301   9.895
  569   1HG   LYS  70          2HG       LYS  70   6.636  14.268  12.025
  570   2HG   LYS  70          1HG       LYS  70   5.648  12.952  11.388
  571   1HD   LYS  70          2HD       LYS  70   7.664  12.327   9.942
  572   2HD   LYS  70          1HD       LYS  70   8.598  13.441  10.941
  573   1HE   LYS  70          2HE       LYS  70   8.038  12.170  12.958
  574   2HE   LYS  70          1HE       LYS  70   6.996  11.088  12.011
  575   1HZ   LYS  70          1HZ       LYS  70   8.899  10.508  10.639
  576   2HZ   LYS  70          2HZ       LYS  70   9.218  10.150  12.269
  577   3HZ   LYS  70          3HZ       LYS  70   9.900  11.530  11.550
  578    H    ASP  71           H        ASP  71   4.085  14.452   7.642
  579    HA   ASP  71           HA       ASP  71   4.564  17.005   6.385
  580   1HB   ASP  71          2HB       ASP  71   3.381  14.362   5.770
  581   2HB   ASP  71          1HB       ASP  71   2.723  15.688   4.815
  582    H    ILE  72           H        ILE  72   1.562  15.347   7.355
  583    HA   ILE  72           HA       ILE  72  -0.186  17.586   6.836
  584    HB   ILE  72           HB       ILE  72  -0.348  15.053   8.503
  585   1HG1  ILE  72          2HG1      ILE  72  -0.218  14.766   6.062
  586   2HG1  ILE  72          1HG1      ILE  72  -1.811  14.309   6.659
  587   1HG2  ILE  72          1HG2      ILE  72  -2.432  17.193   8.042
  588   2HG2  ILE  72          2HG2      ILE  72  -1.958  16.436   9.563
  589   3HG2  ILE  72          3HG2      ILE  72  -2.886  15.522   8.374
  590   1HD1  ILE  72          1HD1      ILE  72  -2.538  16.711   6.091
  591   2HD1  ILE  72          2HD1      ILE  72  -2.237  15.636   4.726
  592   3HD1  ILE  72          3HD1      ILE  72  -1.028  16.833   5.189
  593    H    ALA  73           H        ALA  73   1.701  16.541   9.639
  594    HA   ALA  73           HA       ALA  73   0.561  18.111  11.697
  595   1HB   ALA  73          1HB       ALA  73   2.219  16.572  12.316
  596   2HB   ALA  73          2HB       ALA  73   3.078  18.105  12.462
  597   3HB   ALA  73          3HB       ALA  73   3.315  17.094  11.037
  598    H    ALA  74           H        ALA  74   3.016  19.036   9.272
  599    HA   ALA  74           HA       ALA  74   3.328  21.752  10.281
  600   1HB   ALA  74          1HB       ALA  74   5.109  20.599   9.090
  601   2HB   ALA  74          2HB       ALA  74   4.600  21.981   8.121
  602   3HB   ALA  74          3HB       ALA  74   4.065  20.357   7.690
  603    H    TYR  75           H        TYR  75   0.978  20.182   8.307
  604    HA   TYR  75           HA       TYR  75   0.070  22.770   7.115
  605   1HB   TYR  75          2HB       TYR  75   0.570  20.777   5.665
  606   2HB   TYR  75          1HB       TYR  75  -0.720  19.905   6.492
  607    HD1  TYR  75           1HD      TYR  75  -2.972  20.163   5.817
  608    HD2  TYR  75           2HD      TYR  75  -0.019  23.001   4.522
  609    HE1  TYR  75           1HE      TYR  75  -4.638  21.207   4.307
  610    HE2  TYR  75           2HE      TYR  75  -1.685  24.046   3.012
  611    HH   TYR  75           HH       TYR  75  -4.369  22.665   2.001
  612    H    ARG  76           H        ARG  76  -0.538  20.671   9.697
  613    HA   ARG  76           HA       ARG  76  -3.437  20.761   9.799
  614   1HB   ARG  76          2HB       ARG  76  -1.783  19.134  10.902
  615   2HB   ARG  76          1HB       ARG  76  -1.516  20.394  12.106
  616   1HG   ARG  76          2HG       ARG  76  -3.661  20.223  12.967
  617   2HG   ARG  76          1HG       ARG  76  -4.334  19.628  11.450
  618   1HD   ARG  76          2HD       ARG  76  -3.254  17.450  11.783
  619   2HD   ARG  76          1HD       ARG  76  -2.491  18.038  13.273
  620    HE   ARG  76           HE       ARG  76  -5.459  18.157  13.029
  621   1HH1  ARG  76          1HH2      ARG  76  -3.681  18.711  15.509
  622   2HH1  ARG  76          2HH2      ARG  76  -3.993  17.281  16.435
  623   1HH2  ARG  76          1HH1      ARG  76  -5.397  15.548  13.780
  624   2HH2  ARG  76          2HH1      ARG  76  -4.964  15.490  15.456
  625    H    ALA  77           H        ALA  77  -1.000  22.363  11.895
  626    HA   ALA  77           HA       ALA  77  -3.022  24.406  12.651
  627   1HB   ALA  77          1HB       ALA  77  -0.195  23.891  13.630
  628   2HB   ALA  77          2HB       ALA  77  -1.640  23.155  14.324
  629   3HB   ALA  77          3HB       ALA  77  -1.407  24.901  14.420
  630    H    LYS  78           H        LYS  78  -2.855  25.331  10.366
  631    HA   LYS  78           HA       LYS  78  -0.650  27.350  10.272
  632   1HB   LYS  78          2HB       LYS  78  -1.413  25.217   8.317
  633   2HB   LYS  78          1HB       LYS  78  -0.855  26.762   7.676
  634   1HG   LYS  78          2HG       LYS  78   1.060  26.439   9.486
  635   2HG   LYS  78          1HG       LYS  78   0.634  24.738   9.301
  636   1HD   LYS  78          2HD       LYS  78   1.258  24.686   7.052
  637   2HD   LYS  78          1HD       LYS  78   1.066  26.430   6.856
  638   1HE   LYS  78          2HE       LYS  78   3.034  26.683   8.490
  639   2HE   LYS  78          1HE       LYS  78   3.322  24.950   8.231
  640   1HZ   LYS  78          1HZ       LYS  78   3.081  26.998   6.089
  641   2HZ   LYS  78          2HZ       LYS  78   3.353  25.338   5.850
  642   3HZ   LYS  78          3HZ       LYS  78   4.534  26.295   6.610
  Start of MODEL    5
    1   1H    MET   1          1HT       MET   1  -9.123  15.856  -1.291
    2   2H    MET   1          2HT       MET   1  -8.858  17.030  -2.491
    3   3H    MET   1          3HT       MET   1  -8.146  17.203  -0.959
    4    HA   MET   1           HA       MET   1  -6.710  15.330  -1.329
    5   1HB   MET   1          2HB       MET   1  -8.657  14.226  -2.606
    6   2HB   MET   1          1HB       MET   1  -8.063  15.094  -4.023
    7   1HG   MET   1          2HG       MET   1  -5.861  14.037  -3.772
    8   2HG   MET   1          1HG       MET   1  -6.417  13.194  -2.326
    9   1HE   MET   1          1HE       MET   1  -5.361  11.041  -3.960
   10   2HE   MET   1          2HE       MET   1  -5.140  12.325  -5.145
   11   3HE   MET   1          3HE       MET   1  -5.967  10.841  -5.611
   12    H    LYS   2           H        LYS   2  -6.497  18.147  -1.608
   13    HA   LYS   2           HA       LYS   2  -4.895  18.448  -4.128
   14   1HB   LYS   2          2HB       LYS   2  -6.397  20.427  -2.384
   15   2HB   LYS   2          1HB       LYS   2  -5.397  20.892  -3.762
   16   1HG   LYS   2          2HG       LYS   2  -6.809  19.726  -5.301
   17   2HG   LYS   2          1HG       LYS   2  -7.667  18.905  -3.995
   18   1HD   LYS   2          2HD       LYS   2  -8.666  20.978  -3.257
   19   2HD   LYS   2          1HD       LYS   2  -7.674  21.910  -4.378
   20   1HE   LYS   2          2HE       LYS   2  -8.784  20.846  -6.295
   21   2HE   LYS   2          1HE       LYS   2  -9.756  19.849  -5.193
   22   1HZ   LYS   2          1HZ       LYS   2  -9.689  22.822  -5.223
   23   2HZ   LYS   2          2HZ       LYS   2 -10.615  21.859  -4.173
   24   3HZ   LYS   2          3HZ       LYS   2 -10.947  21.866  -5.839
   25    H    LYS   3           H        LYS   3  -2.835  19.495  -3.930
   26    HA   LYS   3           HA       LYS   3  -1.825  20.213  -1.247
   27   1HB   LYS   3          2HB       LYS   3   0.007  18.526  -1.423
   28   2HB   LYS   3          1HB       LYS   3  -1.585  17.775  -1.334
   29   1HG   LYS   3          2HG       LYS   3  -0.607  18.398  -4.068
   30   2HG   LYS   3          1HG       LYS   3   0.260  17.123  -3.215
   31   1HD   LYS   3          2HD       LYS   3  -1.613  15.751  -3.077
   32   2HD   LYS   3          1HD       LYS   3  -2.739  17.104  -3.197
   33   1HE   LYS   3          2HE       LYS   3  -2.928  16.180  -5.341
   34   2HE   LYS   3          1HE       LYS   3  -1.634  17.365  -5.610
   35   1HZ   LYS   3          1HZ       LYS   3   0.007  15.691  -5.177
   36   2HZ   LYS   3          2HZ       LYS   3  -1.043  15.105  -6.377
   37   3HZ   LYS   3          3HZ       LYS   3  -1.183  14.548  -4.778
   38    H    ASP   4           H        ASP   4   0.530  20.959  -1.456
   39    HA   ASP   4           HA       ASP   4   0.819  22.539  -3.960
   40   1HB   ASP   4          2HB       ASP   4   1.540  22.732  -1.110
   41   2HB   ASP   4          1HB       ASP   4   2.825  23.262  -2.194
   42    HA   PRO   5           HA       PRO   5   4.295  20.267  -5.434
   43   1HB   PRO   5          2HB       PRO   5   6.227  22.136  -5.954
   44   2HB   PRO   5          1HB       PRO   5   4.773  21.945  -6.953
   45   1HG   PRO   5          2HG       PRO   5   5.357  23.945  -4.825
   46   2HG   PRO   5          1HG       PRO   5   4.533  24.158  -6.378
   47   1HD   PRO   5          2HD       PRO   5   3.210  23.956  -4.014
   48   2HD   PRO   5          1HD       PRO   5   2.520  23.425  -5.562
   49    H    ASN   6           H        ASN   6   4.987  22.525  -2.816
   50    HA   ASN   6           HA       ASN   6   7.500  21.203  -2.046
   51   1HB   ASN   6          2HB       ASN   6   5.747  23.422  -0.975
   52   2HB   ASN   6          1HB       ASN   6   7.157  22.852  -0.081
   53   1HD2  ASN   6          1HD2      ASN   6   9.213  22.643  -1.677
   54   2HD2  ASN   6          2HD2      ASN   6   9.459  23.989  -2.681
   55    H    ALA   7           H        ALA   7   4.103  21.148  -1.119
   56    HA   ALA   7           HA       ALA   7   4.315  19.826   1.413
   57   1HB   ALA   7          1HB       ALA   7   1.948  19.271   0.965
   58   2HB   ALA   7          2HB       ALA   7   2.172  19.686  -0.735
   59   3HB   ALA   7          3HB       ALA   7   2.296  20.937   0.503
   60    HA   PRO   8           HA       PRO   8   5.281  15.741   0.180
   61   1HB   PRO   8          2HB       PRO   8   4.153  14.280   2.175
   62   2HB   PRO   8          1HB       PRO   8   5.665  15.192   2.319
   63   1HG   PRO   8          2HG       PRO   8   3.046  15.771   3.451
   64   2HG   PRO   8          1HG       PRO   8   4.651  16.368   3.853
   65   1HD   PRO   8          2HD       PRO   8   2.632  17.733   2.389
   66   2HD   PRO   8          1HD       PRO   8   4.261  18.297   2.807
   67    H    LYS   9           H        LYS   9   4.426  14.037  -1.052
   68    HA   LYS   9           HA       LYS   9   1.772  14.318  -2.133
   69   1HB   LYS   9          2HB       LYS   9   3.902  12.168  -2.223
   70   2HB   LYS   9          1HB       LYS   9   2.409  12.063  -3.157
   71   1HG   LYS   9          2HG       LYS   9   2.925  14.072  -4.366
   72   2HG   LYS   9          1HG       LYS   9   4.275  14.443  -3.293
   73   1HD   LYS   9          2HD       LYS   9   5.402  12.348  -4.050
   74   2HD   LYS   9          1HD       LYS   9   4.088  12.091  -5.197
   75   1HE   LYS   9          2HE       LYS   9   5.699  13.204  -6.514
   76   2HE   LYS   9          1HE       LYS   9   4.668  14.545  -5.979
   77   1HZ   LYS   9          1HZ       LYS   9   7.028  14.984  -5.542
   78   2HZ   LYS   9          2HZ       LYS   9   7.107  13.594  -4.567
   79   3HZ   LYS   9          3HZ       LYS   9   6.128  14.905  -4.106
   80    H    ARG  10           H        ARG  10   0.397  12.149  -2.243
   81    HA   ARG  10           HA       ARG  10  -0.752  11.709   0.351
   82   1HB   ARG  10          2HB       ARG  10  -2.085  10.014  -0.883
   83   2HB   ARG  10          1HB       ARG  10  -1.962  11.521  -1.788
   84   1HG   ARG  10          2HG       ARG  10   0.233  10.230  -2.730
   85   2HG   ARG  10          1HG       ARG  10  -0.813   8.852  -2.393
   86   1HD   ARG  10          2HD       ARG  10  -2.324   9.426  -4.034
   87   2HD   ARG  10          1HD       ARG  10  -2.063  11.167  -3.806
   88    HE   ARG  10           HE       ARG  10  -0.199  11.048  -5.280
   89   1HH1  ARG  10          1HH1      ARG  10  -1.820   8.900  -6.658
   90   2HH1  ARG  10          2HH1      ARG  10  -0.658   7.623  -6.800
   91   1HH2  ARG  10          1HH2      ARG  10   1.517   8.987  -4.468
   92   2HH2  ARG  10          2HH2      ARG  10   1.231   7.672  -5.560
   93    HA   PRO  11           HA       PRO  11   1.919   8.454   1.714
   94   1HB   PRO  11          2HB       PRO  11   0.429   7.490   3.788
   95   2HB   PRO  11          1HB       PRO  11   1.288   9.039   3.861
   96   1HG   PRO  11          2HG       PRO  11  -1.590   8.495   3.531
   97   2HG   PRO  11          1HG       PRO  11  -0.778   9.891   4.245
   98   1HD   PRO  11          2HD       PRO  11  -1.917   9.748   1.681
   99   2HD   PRO  11          1HD       PRO  11  -0.856  11.031   2.298
  100    HA   PRO  12           HA       PRO  12   0.096   4.932  -0.380
  101   1HB   PRO  12          2HB       PRO  12   2.088   3.116   0.088
  102   2HB   PRO  12          1HB       PRO  12   2.220   4.394  -1.137
  103   1HG   PRO  12          2HG       PRO  12   3.362   4.278   1.606
  104   2HG   PRO  12          1HG       PRO  12   4.078   4.903   0.113
  105   1HD   PRO  12          2HD       PRO  12   3.006   6.494   2.046
  106   2HD   PRO  12          1HD       PRO  12   3.058   6.941   0.326
  107    H    SER  13           H        SER  13   0.111   2.330   0.414
  108    HA   SER  13           HA       SER  13  -0.220   2.053   3.315
  109   1HB   SER  13          2HB       SER  13  -2.250   3.292   2.397
  110   2HB   SER  13          1HB       SER  13  -2.644   1.814   1.523
  111    HG   SER  13           HG       SER  13  -2.889   2.424   4.185
  112    H    ALA  14           H        ALA  14   1.339   0.630   1.301
  113    HA   ALA  14           HA       ALA  14   1.917  -1.596   0.863
  114   1HB   ALA  14          1HB       ALA  14   0.355  -1.699   3.186
  115   2HB   ALA  14          2HB       ALA  14   1.325  -3.015   2.528
  116   3HB   ALA  14          3HB       ALA  14  -0.385  -2.890   2.115
  117    H    PHE  15           H        PHE  15  -1.667  -1.863   0.982
  118    HA   PHE  15           HA       PHE  15  -1.901  -3.291  -1.457
  119   1HB   PHE  15          2HB       PHE  15  -3.635  -3.070   0.301
  120   2HB   PHE  15          1HB       PHE  15  -3.842  -1.371  -0.125
  121    HD1  PHE  15           1HD      PHE  15  -3.590  -4.619  -2.007
  122    HD2  PHE  15           2HD      PHE  15  -5.732  -0.943  -1.409
  123    HE1  PHE  15           1HE      PHE  15  -5.179  -5.252  -3.802
  124    HE2  PHE  15           2HE      PHE  15  -7.322  -1.578  -3.203
  125    HZ   PHE  15           HZ       PHE  15  -7.046  -3.733  -4.402
  126    H    PHE  16           H        PHE  16  -1.492   0.150  -0.882
  127    HA   PHE  16           HA       PHE  16  -2.434   1.038  -3.479
  128   1HB   PHE  16          2HB       PHE  16  -2.157   2.341  -1.274
  129   2HB   PHE  16          1HB       PHE  16  -0.439   2.414  -1.664
  130    HD1  PHE  16           1HD      PHE  16  -3.827   3.225  -3.010
  131    HD2  PHE  16           2HD      PHE  16   0.392   4.011  -3.194
  132    HE1  PHE  16           1HE      PHE  16  -4.249   5.134  -4.534
  133    HE2  PHE  16           2HE      PHE  16  -0.031   5.921  -4.719
  134    HZ   PHE  16           HZ       PHE  16  -2.352   6.482  -5.389
  135    H    LEU  17           H        LEU  17   0.666  -0.074  -2.208
  136    HA   LEU  17           HA       LEU  17   2.297   0.790  -4.447
  137   1HB   LEU  17          2HB       LEU  17   2.482  -1.310  -2.279
  138   2HB   LEU  17          1HB       LEU  17   3.736  -1.170  -3.511
  139    HG   LEU  17           HG       LEU  17   3.785   1.342  -2.882
  140   1HD1  LEU  17          1HD1      LEU  17   1.900   1.657  -1.529
  141   2HD1  LEU  17          2HD1      LEU  17   3.191   1.504  -0.338
  142   3HD1  LEU  17          3HD1      LEU  17   2.137   0.133  -0.676
  143   1HD2  LEU  17          1HD2      LEU  17   4.695  -0.624  -0.763
  144   2HD2  LEU  17          2HD2      LEU  17   5.439   0.920  -1.182
  145   3HD2  LEU  17          3HD2      LEU  17   5.512  -0.430  -2.315
  146    H    PHE  18           H        PHE  18   1.454  -2.520  -3.562
  147    HA   PHE  18           HA       PHE  18   1.778  -3.990  -5.842
  148   1HB   PHE  18          2HB       PHE  18   0.883  -4.876  -3.751
  149   2HB   PHE  18          1HB       PHE  18  -0.621  -3.985  -3.978
  150    HD1  PHE  18           1HD      PHE  18   1.472  -6.752  -5.318
  151    HD2  PHE  18           2HD      PHE  18  -2.361  -4.816  -5.391
  152    HE1  PHE  18           1HE      PHE  18   0.535  -8.656  -6.605
  153    HE2  PHE  18           2HE      PHE  18  -3.297  -6.717  -6.676
  154    HZ   PHE  18           HZ       PHE  18  -1.854  -8.638  -7.284
  155    H    CYS  19           H        CYS  19  -1.382  -2.294  -5.256
  156    HA   CYS  19           HA       CYS  19  -2.402  -2.736  -7.878
  157   1HB   CYS  19          2HB       CYS  19  -3.692  -2.060  -5.858
  158   2HB   CYS  19          1HB       CYS  19  -2.931  -0.472  -5.928
  159    HG   CYS  19           HG       CYS  19  -4.249  -1.045  -8.573
  160    H    SER  20           H        SER  20  -0.656   0.064  -6.524
  161    HA   SER  20           HA       SER  20  -0.738   1.790  -8.761
  162   1HB   SER  20          2HB       SER  20   1.205   1.305  -6.517
  163   2HB   SER  20          1HB       SER  20   1.566   2.511  -7.746
  164    HG   SER  20           HG       SER  20  -0.618   2.383  -5.953
  165    H    GLU  21           H        GLU  21   1.391  -1.001  -8.171
  166    HA   GLU  21           HA       GLU  21   2.985  -0.388 -10.578
  167   1HB   GLU  21          2HB       GLU  21   4.281  -2.355  -9.841
  168   2HB   GLU  21          1HB       GLU  21   4.035  -1.220  -8.517
  169   1HG   GLU  21          2HG       GLU  21   2.393  -2.584  -7.499
  170   2HG   GLU  21          1HG       GLU  21   2.160  -3.541  -8.963
  171    H    HIS  22           H        HIS  22   0.317  -2.571  -9.677
  172    HA   HIS  22           HA       HIS  22   0.611  -4.034 -12.254
  173   1HB   HIS  22          2HB       HIS  22  -1.000  -4.367  -9.715
  174   2HB   HIS  22          1HB       HIS  22  -1.294  -5.359 -11.141
  175    HD1  HIS  22           1HD      HIS  22   1.055  -6.537 -12.099
  176    HD2  HIS  22           2HD      HIS  22   0.919  -5.454  -8.077
  177    HE1  HIS  22           1HE      HIS  22   2.867  -7.872 -10.936
  178    H    ARG  23           H        ARG  23  -0.532  -1.132 -11.735
  179    HA   ARG  23           HA       ARG  23  -3.332  -1.423 -12.562
  180   1HB   ARG  23          2HB       ARG  23  -2.537   0.289 -10.958
  181   2HB   ARG  23          1HB       ARG  23  -1.564   1.018 -12.230
  182   1HG   ARG  23          2HG       ARG  23  -3.590   1.442 -13.560
  183   2HG   ARG  23          1HG       ARG  23  -4.575   0.692 -12.304
  184   1HD   ARG  23          2HD       ARG  23  -2.771   3.069 -11.759
  185   2HD   ARG  23          1HD       ARG  23  -4.485   3.232 -12.188
  186    HE   ARG  23           HE       ARG  23  -3.978   1.321 -10.024
  187   1HH1  ARG  23          1HH1      ARG  23  -6.329   3.308 -10.689
  188   2HH1  ARG  23          2HH1      ARG  23  -6.260   4.307  -9.277
  189   1HH2  ARG  23          1HH2      ARG  23  -3.141   3.159  -8.291
  190   2HH2  ARG  23          2HH2      ARG  23  -4.456   4.223  -7.919
  191    HA   PRO  24           HA       PRO  24  -1.629   0.457 -16.597
  192   1HB   PRO  24          2HB       PRO  24   1.052   0.346 -17.108
  193   2HB   PRO  24          1HB       PRO  24   0.279   1.717 -16.290
  194   1HG   PRO  24          2HG       PRO  24   1.881  -0.501 -15.157
  195   2HG   PRO  24          1HG       PRO  24   1.770   1.189 -14.650
  196   1HD   PRO  24          2HD       PRO  24   0.510  -0.925 -13.409
  197   2HD   PRO  24          1HD       PRO  24   0.028   0.776 -13.265
  198    H    LYS  25           H        LYS  25  -0.642  -2.507 -15.189
  199    HA   LYS  25           HA       LYS  25   0.124  -3.832 -17.704
  200   1HB   LYS  25          2HB       LYS  25   1.083  -4.320 -15.429
  201   2HB   LYS  25          1HB       LYS  25  -0.496  -4.945 -14.948
  202   1HG   LYS  25          2HG       LYS  25  -0.364  -6.770 -16.417
  203   2HG   LYS  25          1HG       LYS  25   0.863  -5.996 -17.419
  204   1HD   LYS  25          2HD       LYS  25   2.573  -6.389 -15.841
  205   2HD   LYS  25          1HD       LYS  25   1.422  -6.690 -14.539
  206   1HE   LYS  25          2HE       LYS  25   1.369  -8.488 -16.947
  207   2HE   LYS  25          1HE       LYS  25   2.616  -8.736 -15.709
  208   1HZ   LYS  25          1HZ       LYS  25   0.554  -9.946 -15.194
  209   2HZ   LYS  25          2HZ       LYS  25  -0.294  -8.474 -15.161
  210   3HZ   LYS  25          3HZ       LYS  25   0.922  -8.784 -14.016
  211    H    ILE  26           H        ILE  26  -2.685  -3.609 -15.559
  212    HA   ILE  26           HA       ILE  26  -4.235  -5.676 -16.902
  213    HB   ILE  26           HB       ILE  26  -5.025  -3.381 -15.074
  214   1HG1  ILE  26          2HG1      ILE  26  -3.339  -4.860 -14.058
  215   2HG1  ILE  26          1HG1      ILE  26  -4.901  -5.081 -13.279
  216   1HG2  ILE  26          1HG2      ILE  26  -7.070  -4.110 -15.889
  217   2HG2  ILE  26          2HG2      ILE  26  -6.857  -5.221 -14.537
  218   3HG2  ILE  26          3HG2      ILE  26  -6.489  -5.749 -16.178
  219   1HD1  ILE  26          1HD1      ILE  26  -3.973  -7.276 -13.672
  220   2HD1  ILE  26          2HD1      ILE  26  -3.623  -6.883 -15.355
  221   3HD1  ILE  26          3HD1      ILE  26  -5.295  -7.049 -14.817
  222    H    LYS  27           H        LYS  27  -3.550  -2.339 -17.587
  223    HA   LYS  27           HA       LYS  27  -5.998  -1.778 -19.079
  224   1HB   LYS  27          2HB       LYS  27  -3.307  -0.485 -18.657
  225   2HB   LYS  27          1HB       LYS  27  -4.450   0.179 -19.826
  226   1HG   LYS  27          2HG       LYS  27  -6.171   0.021 -17.872
  227   2HG   LYS  27          1HG       LYS  27  -4.743  -0.078 -16.841
  228   1HD   LYS  27          2HD       LYS  27  -3.949   2.052 -17.566
  229   2HD   LYS  27          1HD       LYS  27  -5.097   2.103 -18.904
  230   1HE   LYS  27          2HE       LYS  27  -6.929   1.975 -17.053
  231   2HE   LYS  27          1HE       LYS  27  -5.628   2.485 -15.959
  232   1HZ   LYS  27          1HZ       LYS  27  -6.783   4.392 -16.959
  233   2HZ   LYS  27          2HZ       LYS  27  -6.341   3.843 -18.505
  234   3HZ   LYS  27          3HZ       LYS  27  -5.147   4.339 -17.402
  235    H    SER  28           H        SER  28  -3.003  -3.398 -19.793
  236    HA   SER  28           HA       SER  28  -2.982  -2.905 -22.662
  237   1HB   SER  28          2HB       SER  28  -1.015  -3.529 -21.248
  238   2HB   SER  28          1HB       SER  28  -1.736  -5.117 -20.994
  239    HG   SER  28           HG       SER  28  -0.143  -4.736 -22.818
  240    H    GLU  29           H        GLU  29  -4.122  -5.560 -20.571
  241    HA   GLU  29           HA       GLU  29  -5.244  -6.999 -22.913
  242   1HB   GLU  29          2HB       GLU  29  -4.771  -7.554 -19.990
  243   2HB   GLU  29          1HB       GLU  29  -5.812  -8.614 -20.941
  244   1HG   GLU  29          2HG       GLU  29  -3.784  -8.547 -22.642
  245   2HG   GLU  29          1HG       GLU  29  -2.867  -8.126 -21.196
  246    H    HIS  30           H        HIS  30  -6.324  -4.491 -21.010
  247    HA   HIS  30           HA       HIS  30  -9.163  -5.213 -21.516
  248   1HB   HIS  30          2HB       HIS  30  -8.027  -4.388 -18.823
  249   2HB   HIS  30          1HB       HIS  30  -9.735  -4.621 -19.175
  250    HD1  HIS  30           1HD      HIS  30 -10.607  -7.029 -19.341
  251    HD2  HIS  30           2HD      HIS  30  -6.486  -6.817 -18.773
  252    HE1  HIS  30           1HE      HIS  30  -9.839  -9.382 -18.801
  253    HA   PRO  31           HA       PRO  31  -8.086  -0.812 -22.489
  254   1HB   PRO  31          2HB       PRO  31  -9.655  -0.676 -24.737
  255   2HB   PRO  31          1HB       PRO  31  -7.978  -1.261 -24.760
  256   1HG   PRO  31          2HG       PRO  31 -10.522  -2.823 -24.701
  257   2HG   PRO  31          1HG       PRO  31  -9.054  -3.100 -25.653
  258   1HD   PRO  31          2HD       PRO  31  -9.592  -4.512 -23.421
  259   2HD   PRO  31          1HD       PRO  31  -7.932  -4.080 -23.890
  260    H    GLY  32           H        GLY  32  -9.260   0.224 -20.878
  261   1HA   GLY  32          2HA       GLY  32 -11.276   1.671 -20.616
  262   2HA   GLY  32          1HA       GLY  32 -12.231   0.319 -21.223
  263    H    LEU  33           H        LEU  33 -10.251  -1.416 -19.478
  264    HA   LEU  33           HA       LEU  33 -11.877  -2.162 -17.388
  265   1HB   LEU  33          2HB       LEU  33  -9.420  -2.796 -18.274
  266   2HB   LEU  33          1HB       LEU  33  -8.961  -1.921 -16.815
  267    HG   LEU  33           HG       LEU  33  -9.219  -4.333 -16.362
  268   1HD1  LEU  33          1HD1      LEU  33  -9.887  -2.476 -14.705
  269   2HD1  LEU  33          2HD1      LEU  33 -10.475  -4.107 -14.378
  270   3HD1  LEU  33          3HD1      LEU  33 -11.552  -2.907 -15.092
  271   1HD2  LEU  33          1HD2      LEU  33 -12.146  -4.372 -16.561
  272   2HD2  LEU  33          2HD2      LEU  33 -10.968  -5.561 -17.117
  273   3HD2  LEU  33          3HD2      LEU  33 -11.365  -4.173 -18.129
  274    H    SER  34           H        SER  34 -12.664  -1.237 -15.603
  275    HA   SER  34           HA       SER  34 -11.516   1.351 -14.647
  276   1HB   SER  34          2HB       SER  34 -13.810   1.422 -13.535
  277   2HB   SER  34          1HB       SER  34 -13.821   1.418 -15.293
  278    HG   SER  34           HG       SER  34 -15.274  -0.116 -14.584
  279    H    ILE  35           H        ILE  35 -12.424   1.465 -12.105
  280    HA   ILE  35           HA       ILE  35 -10.654  -0.349 -10.648
  281    HB   ILE  35           HB       ILE  35 -12.658   1.748  -9.745
  282   1HG1  ILE  35          2HG1      ILE  35 -10.927   2.667 -11.248
  283   2HG1  ILE  35          1HG1      ILE  35 -10.681   3.233  -9.597
  284   1HG2  ILE  35          1HG2      ILE  35 -12.125   0.371  -7.865
  285   2HG2  ILE  35          2HG2      ILE  35 -11.108   1.804  -7.718
  286   3HG2  ILE  35          3HG2      ILE  35 -10.422   0.293  -8.316
  287   1HD1  ILE  35          1HD1      ILE  35  -8.530   2.562 -10.508
  288   2HD1  ILE  35          2HD1      ILE  35  -9.178   0.993 -10.987
  289   3HD1  ILE  35          3HD1      ILE  35  -9.004   1.390  -9.277
  290    H    GLY  36           H        GLY  36 -13.782  -0.758 -11.835
  291   1HA   GLY  36          2HA       GLY  36 -14.799  -2.244  -9.493
  292   2HA   GLY  36          1HA       GLY  36 -15.682  -1.941 -10.989
  293    H    ASP  37           H        ASP  37 -12.458  -3.056 -11.441
  294    HA   ASP  37           HA       ASP  37 -13.249  -5.913 -11.557
  295   1HB   ASP  37          2HB       ASP  37 -12.555  -4.104 -13.865
  296   2HB   ASP  37          1HB       ASP  37 -12.257  -5.838 -13.970
  297    H    THR  38           H        THR  38 -10.661  -3.602 -12.492
  298    HA   THR  38           HA       THR  38  -8.482  -5.431 -12.157
  299    HB   THR  38           HB       THR  38  -8.820  -2.418 -12.174
  300    HG1  THR  38           1HG      THR  38  -7.889  -2.672 -14.182
  301   1HG2  THR  38          1HG2      THR  38  -6.395  -2.151 -12.250
  302   2HG2  THR  38          2HG2      THR  38  -6.166  -3.893 -12.104
  303   3HG2  THR  38          3HG2      THR  38  -6.829  -2.975 -10.752
  304    H    ALA  39           H        ALA  39 -10.127  -3.236  -9.895
  305    HA   ALA  39           HA       ALA  39  -8.303  -3.547  -7.683
  306   1HB   ALA  39          1HB       ALA  39 -10.248  -2.659  -6.404
  307   2HB   ALA  39          2HB       ALA  39 -11.279  -2.938  -7.808
  308   3HB   ALA  39          3HB       ALA  39  -9.979  -1.749  -7.890
  309    H    LYS  40           H        LYS  40 -11.008  -5.445  -8.900
  310    HA   LYS  40           HA       LYS  40 -11.200  -7.172  -6.542
  311   1HB   LYS  40          2HB       LYS  40 -12.354  -7.041  -9.322
  312   2HB   LYS  40          1HB       LYS  40 -12.599  -8.484  -8.337
  313   1HG   LYS  40          2HG       LYS  40 -13.370  -6.851  -6.485
  314   2HG   LYS  40          1HG       LYS  40 -13.503  -5.661  -7.781
  315   1HD   LYS  40          2HD       LYS  40 -15.144  -6.937  -8.932
  316   2HD   LYS  40          1HD       LYS  40 -14.801  -8.381  -7.978
  317   1HE   LYS  40          2HE       LYS  40 -15.529  -6.920  -5.934
  318   2HE   LYS  40          1HE       LYS  40 -16.306  -5.900  -7.162
  319   1HZ   LYS  40          1HZ       LYS  40 -16.649  -8.843  -6.919
  320   2HZ   LYS  40          2HZ       LYS  40 -17.413  -7.836  -8.055
  321   3HZ   LYS  40          3HZ       LYS  40 -17.781  -7.691  -6.403
  322    H    LYS  41           H        LYS  41  -9.544  -7.205  -9.660
  323    HA   LYS  41           HA       LYS  41  -8.666 -10.002  -9.401
  324   1HB   LYS  41          2HB       LYS  41  -9.208  -8.630 -11.522
  325   2HB   LYS  41          1HB       LYS  41  -7.630  -7.878 -11.285
  326   1HG   LYS  41          2HG       LYS  41  -6.500  -9.989 -11.479
  327   2HG   LYS  41          1HG       LYS  41  -8.023 -10.876 -11.412
  328   1HD   LYS  41          2HD       LYS  41  -8.719  -9.813 -13.543
  329   2HD   LYS  41          1HD       LYS  41  -7.165  -8.981 -13.620
  330   1HE   LYS  41          2HE       LYS  41  -5.973 -11.101 -13.767
  331   2HE   LYS  41          1HE       LYS  41  -7.482 -12.004 -13.527
  332   1HZ   LYS  41          1HZ       LYS  41  -6.951 -10.093 -15.742
  333   2HZ   LYS  41          2HZ       LYS  41  -8.391 -10.962 -15.503
  334   3HZ   LYS  41          3HZ       LYS  41  -6.955 -11.783 -15.889
  335    H    LEU  42           H        LEU  42  -7.494  -6.849  -8.476
  336    HA   LEU  42           HA       LEU  42  -4.680  -7.673  -8.202
  337   1HB   LEU  42          2HB       LEU  42  -6.366  -5.254  -8.014
  338   2HB   LEU  42          1HB       LEU  42  -5.012  -5.282  -6.889
  339    HG   LEU  42           HG       LEU  42  -3.472  -5.758  -8.773
  340   1HD1  LEU  42          1HD1      LEU  42  -5.793  -5.155 -10.609
  341   2HD1  LEU  42          2HD1      LEU  42  -5.366  -6.809 -10.177
  342   3HD1  LEU  42          3HD1      LEU  42  -4.205  -5.793 -11.031
  343   1HD2  LEU  42          1HD2      LEU  42  -5.131  -3.368  -9.531
  344   2HD2  LEU  42          2HD2      LEU  42  -3.375  -3.533  -9.500
  345   3HD2  LEU  42          3HD2      LEU  42  -4.277  -3.408  -7.990
  346    H    GLY  43           H        GLY  43  -7.226  -6.531  -5.941
  347   1HA   GLY  43          2HA       GLY  43  -5.883  -7.097  -3.523
  348   2HA   GLY  43          1HA       GLY  43  -7.643  -7.101  -3.693
  349    H    GLU  44           H        GLU  44  -7.522  -9.256  -5.747
  350    HA   GLU  44           HA       GLU  44  -7.663 -11.553  -3.975
  351   1HB   GLU  44          2HB       GLU  44  -9.020 -11.200  -6.051
  352   2HB   GLU  44          1HB       GLU  44  -7.547 -11.357  -7.009
  353   1HG   GLU  44          2HG       GLU  44  -8.392 -13.534  -7.078
  354   2HG   GLU  44          1HG       GLU  44  -7.274 -13.626  -5.717
  355    H    MET  45           H        MET  45  -5.312 -10.254  -6.284
  356    HA   MET  45           HA       MET  45  -3.465 -12.517  -6.007
  357   1HB   MET  45          2HB       MET  45  -3.629  -9.890  -7.441
  358   2HB   MET  45          1HB       MET  45  -2.038 -10.626  -7.245
  359   1HG   MET  45          2HG       MET  45  -2.762 -12.651  -8.349
  360   2HG   MET  45          1HG       MET  45  -4.434 -12.093  -8.379
  361   1HE   MET  45          1HE       MET  45  -0.956 -11.894  -9.479
  362   2HE   MET  45          2HE       MET  45  -0.947 -10.138  -9.332
  363   3HE   MET  45          3HE       MET  45  -0.883 -10.881 -10.928
  364    H    TRP  46           H        TRP  46  -3.664  -9.132  -4.867
  365    HA   TRP  46           HA       TRP  46  -1.194  -8.856  -3.522
  366   1HB   TRP  46          2HB       TRP  46  -2.775  -7.049  -3.828
  367   2HB   TRP  46          1HB       TRP  46  -4.003  -7.875  -2.882
  368    HD1  TRP  46           HD       TRP  46  -4.200  -6.848  -0.559
  369    HE1  TRP  46           1HE      TRP  46  -2.572  -5.794   1.143
  370    HE3  TRP  46           3HE      TRP  46   0.152  -7.231  -3.170
  371    HZ2  TRP  46           2HZ      TRP  46   0.224  -5.193   1.354
  372    HZ3  TRP  46           3HZ      TRP  46   2.282  -6.409  -2.210
  373    HH2  TRP  46           HH       TRP  46   2.319  -5.401   0.040
  374    H    SER  47           H        SER  47  -4.279 -10.119  -2.177
  375    HA   SER  47           HA       SER  47  -3.232 -10.868   0.382
  376   1HB   SER  47          2HB       SER  47  -5.658 -10.620  -0.543
  377   2HB   SER  47          1HB       SER  47  -5.464 -12.291  -1.066
  378    HG   SER  47           HG       SER  47  -5.747 -11.226   1.463
  379    H    GLU  48           H        GLU  48  -2.642 -12.237  -2.723
  380    HA   GLU  48           HA       GLU  48  -1.949 -14.892  -1.584
  381   1HB   GLU  48          2HB       GLU  48  -2.759 -13.758  -4.230
  382   2HB   GLU  48          1HB       GLU  48  -1.715 -15.180  -4.234
  383   1HG   GLU  48          2HG       GLU  48  -4.227 -15.068  -2.561
  384   2HG   GLU  48          1HG       GLU  48  -4.254 -15.608  -4.240
  385    H    GLN  49           H        GLN  49  -0.525 -11.898  -2.619
  386    HA   GLN  49           HA       GLN  49   1.924 -12.798  -3.756
  387   1HB   GLN  49          2HB       GLN  49   1.205 -10.398  -2.034
  388   2HB   GLN  49          1HB       GLN  49   2.733 -10.554  -2.894
  389   1HG   GLN  49          2HG       GLN  49  -0.024 -10.493  -4.149
  390   2HG   GLN  49          1HG       GLN  49   1.168  -9.205  -4.205
  391   1HE2  GLN  49          1HE2      GLN  49  -0.076 -11.074  -6.370
  392   2HE2  GLN  49          2HE2      GLN  49   1.279 -11.635  -7.222
  393    H    SER  50           H        SER  50   3.871 -13.397  -2.791
  394    HA   SER  50           HA       SER  50   3.743 -14.299   0.026
  395   1HB   SER  50          2HB       SER  50   5.731 -15.548  -0.608
  396   2HB   SER  50          1HB       SER  50   4.575 -15.688  -1.930
  397    HG   SER  50           HG       SER  50   6.731 -15.128  -2.598
  398    H    ALA  51           H        ALA  51   6.704 -13.980   0.312
  399    HA   ALA  51           HA       ALA  51   6.703 -11.253   1.367
  400   1HB   ALA  51          1HB       ALA  51   7.844 -12.883   2.645
  401   2HB   ALA  51          2HB       ALA  51   9.153 -12.010   1.848
  402   3HB   ALA  51          3HB       ALA  51   8.628 -13.575   1.225
  403    H    LYS  52           H        LYS  52   7.189 -12.420  -1.760
  404    HA   LYS  52           HA       LYS  52   9.469 -10.728  -2.499
  405   1HB   LYS  52          2HB       LYS  52   8.676 -12.981  -3.493
  406   2HB   LYS  52          1HB       LYS  52   7.438 -12.035  -4.320
  407   1HG   LYS  52          2HG       LYS  52   9.216 -12.122  -5.876
  408   2HG   LYS  52          1HG       LYS  52   9.394 -10.540  -5.117
  409   1HD   LYS  52          2HD       LYS  52  11.202 -11.254  -3.775
  410   2HD   LYS  52          1HD       LYS  52  10.828 -12.959  -4.028
  411   1HE   LYS  52          2HE       LYS  52  11.639 -12.919  -6.269
  412   2HE   LYS  52          1HE       LYS  52  11.647 -11.144  -6.312
  413   1HZ   LYS  52          1HZ       LYS  52  13.287 -11.143  -4.534
  414   2HZ   LYS  52          2HZ       LYS  52  13.868 -12.007  -5.876
  415   3HZ   LYS  52          3HZ       LYS  52  13.296 -12.838  -4.510
  416    H    ASP  53           H        ASP  53   5.931 -10.679  -2.922
  417    HA   ASP  53           HA       ASP  53   6.128  -7.785  -3.698
  418   1HB   ASP  53          2HB       ASP  53   5.054 -10.050  -5.068
  419   2HB   ASP  53          1HB       ASP  53   3.686  -9.061  -4.563
  420    H    LYS  54           H        LYS  54   6.041  -8.173  -1.089
  421    HA   LYS  54           HA       LYS  54   3.477  -7.103  -0.242
  422   1HB   LYS  54          2HB       LYS  54   3.539  -9.806  -0.605
  423   2HB   LYS  54          1HB       LYS  54   3.990  -9.685   1.089
  424   1HG   LYS  54          2HG       LYS  54   1.967  -8.051   1.273
  425   2HG   LYS  54          1HG       LYS  54   1.479  -8.727  -0.274
  426   1HD   LYS  54          2HD       LYS  54   0.372  -9.950   1.512
  427   2HD   LYS  54          1HD       LYS  54   1.545 -11.001   0.719
  428   1HE   LYS  54          2HE       LYS  54   2.987 -11.001   2.547
  429   2HE   LYS  54          1HE       LYS  54   2.439  -9.407   3.104
  430   1HZ   LYS  54          1HZ       LYS  54   0.939 -11.965   3.222
  431   2HZ   LYS  54          2HZ       LYS  54   0.227 -10.449   3.509
  432   3HZ   LYS  54          3HZ       LYS  54   1.459 -11.020   4.530
  433    H    GLN  55           H        GLN  55   6.525  -8.653   0.756
  434    HA   GLN  55           HA       GLN  55   6.474  -7.690   3.487
  435   1HB   GLN  55          2HB       GLN  55   8.357  -8.991   1.595
  436   2HB   GLN  55          1HB       GLN  55   9.093  -8.131   2.944
  437   1HG   GLN  55          2HG       GLN  55   6.889 -10.192   3.240
  438   2HG   GLN  55          1HG       GLN  55   8.606 -10.540   3.452
  439   1HE2  GLN  55          1HE2      GLN  55   5.799  -9.053   4.941
  440   2HE2  GLN  55          2HE2      GLN  55   6.556  -8.633   6.401
  441    HA   PRO  56           HA       PRO  56   9.381  -4.225   1.932
  442   1HB   PRO  56          2HB       PRO  56   9.721  -3.885  -0.760
  443   2HB   PRO  56          1HB       PRO  56  10.761  -4.936   0.222
  444   1HG   PRO  56          2HG       PRO  56   8.485  -5.655  -1.559
  445   2HG   PRO  56          1HG       PRO  56  10.032  -6.480  -1.317
  446   1HD   PRO  56          2HD       PRO  56   7.708  -7.306  -0.189
  447   2HD   PRO  56          1HD       PRO  56   9.301  -7.590   0.544
  448    H    TYR  57           H        TYR  57   6.304  -4.982   0.663
  449    HA   TYR  57           HA       TYR  57   5.711  -2.308  -0.414
  450   1HB   TYR  57          2HB       TYR  57   4.237  -4.911   0.016
  451   2HB   TYR  57          1HB       TYR  57   3.392  -3.463  -0.533
  452    HD1  TYR  57           1HD      TYR  57   6.514  -5.412  -1.309
  453    HD2  TYR  57           2HD      TYR  57   3.220  -3.111  -2.826
  454    HE1  TYR  57           1HE      TYR  57   7.284  -5.837  -3.627
  455    HE2  TYR  57           2HE      TYR  57   3.990  -3.536  -5.144
  456    HH   TYR  57           HH       TYR  57   6.533  -4.151  -6.150
  457    H    GLU  58           H        GLU  58   4.945  -4.255   2.469
  458    HA   GLU  58           HA       GLU  58   3.214  -2.183   3.618
  459   1HB   GLU  58          2HB       GLU  58   3.148  -3.782   5.519
  460   2HB   GLU  58          1HB       GLU  58   2.825  -4.579   3.982
  461   1HG   GLU  58          2HG       GLU  58   4.694  -5.857   4.117
  462   2HG   GLU  58          1HG       GLU  58   5.683  -4.511   4.676
  463    H    GLN  59           H        GLN  59   6.615  -2.963   3.695
  464    HA   GLN  59           HA       GLN  59   7.213  -1.581   6.197
  465   1HB   GLN  59          2HB       GLN  59   8.863  -2.550   3.842
  466   2HB   GLN  59          1HB       GLN  59   9.565  -1.892   5.319
  467   1HG   GLN  59          2HG       GLN  59   7.620  -4.207   5.342
  468   2HG   GLN  59          1HG       GLN  59   9.365  -4.437   5.226
  469   1HE2  GLN  59          1HE2      GLN  59   6.773  -3.899   7.431
  470   2HE2  GLN  59          2HE2      GLN  59   7.715  -3.613   8.814
  471    H    LYS  60           H        LYS  60   8.414  -0.837   2.906
  472    HA   LYS  60           HA       LYS  60   9.174   1.811   3.279
  473   1HB   LYS  60          2HB       LYS  60   9.498   0.367   1.270
  474   2HB   LYS  60          1HB       LYS  60   7.806   0.627   0.845
  475   1HG   LYS  60          2HG       LYS  60   8.517   3.186   1.130
  476   2HG   LYS  60          1HG       LYS  60  10.105   2.530   0.729
  477   1HD   LYS  60          2HD       LYS  60   9.018   1.392  -1.260
  478   2HD   LYS  60          1HD       LYS  60   7.567   2.334  -0.911
  479   1HE   LYS  60          2HE       LYS  60   8.568   4.353  -1.511
  480   2HE   LYS  60          1HE       LYS  60  10.204   3.762  -1.158
  481   1HZ   LYS  60          1HZ       LYS  60  10.026   2.233  -3.013
  482   2HZ   LYS  60          2HZ       LYS  60   9.781   3.826  -3.552
  483   3HZ   LYS  60          3HZ       LYS  60   8.457   2.779  -3.354
  484    H    ALA  61           H        ALA  61   5.871   0.611   3.060
  485    HA   ALA  61           HA       ALA  61   4.762   3.317   2.614
  486   1HB   ALA  61          1HB       ALA  61   3.455   0.626   3.136
  487   2HB   ALA  61          2HB       ALA  61   3.838   1.266   1.538
  488   3HB   ALA  61          3HB       ALA  61   2.639   2.076   2.548
  489    H    ALA  62           H        ALA  62   5.030   0.877   5.177
  490    HA   ALA  62           HA       ALA  62   3.357   2.163   7.123
  491   1HB   ALA  62          1HB       ALA  62   4.785   0.730   8.692
  492   2HB   ALA  62          2HB       ALA  62   5.716   0.264   7.267
  493   3HB   ALA  62          3HB       ALA  62   4.001  -0.140   7.372
  494    H    LYS  63           H        LYS  63   6.799   2.529   6.292
  495    HA   LYS  63           HA       LYS  63   7.296   4.402   8.506
  496   1HB   LYS  63          2HB       LYS  63   8.802   2.632   7.121
  497   2HB   LYS  63          1HB       LYS  63   9.159   4.096   6.204
  498   1HG   LYS  63          2HG       LYS  63  10.129   5.169   8.034
  499   2HG   LYS  63          1HG       LYS  63   9.263   4.172   9.204
  500   1HD   LYS  63          2HD       LYS  63  11.436   3.292   9.299
  501   2HD   LYS  63          1HD       LYS  63  10.631   2.203   8.169
  502   1HE   LYS  63          2HE       LYS  63  11.488   4.051   6.405
  503   2HE   LYS  63          1HE       LYS  63  12.745   4.239   7.645
  504   1HZ   LYS  63          1HZ       LYS  63  13.366   2.466   6.154
  505   2HZ   LYS  63          2HZ       LYS  63  11.872   1.690   6.388
  506   3HZ   LYS  63          3HZ       LYS  63  12.982   1.806   7.669
  507    H    LEU  64           H        LEU  64   5.912   4.642   5.394
  508    HA   LEU  64           HA       LEU  64   6.825   7.443   4.966
  509   1HB   LEU  64          2HB       LEU  64   5.711   5.197   3.381
  510   2HB   LEU  64          1HB       LEU  64   5.140   6.798   2.909
  511    HG   LEU  64           HG       LEU  64   8.067   6.113   3.272
  512   1HD1  LEU  64          1HD1      LEU  64   6.800   6.528   0.590
  513   2HD1  LEU  64          2HD1      LEU  64   6.643   4.948   1.359
  514   3HD1  LEU  64          3HD1      LEU  64   8.243   5.607   1.015
  515   1HD2  LEU  64          1HD2      LEU  64   6.517   8.478   2.212
  516   2HD2  LEU  64          2HD2      LEU  64   8.202   8.210   1.765
  517   3HD2  LEU  64          3HD2      LEU  64   7.768   8.457   3.456
  518    H    LYS  65           H        LYS  65   4.000   5.492   5.760
  519    HA   LYS  65           HA       LYS  65   2.024   7.595   5.525
  520   1HB   LYS  65          2HB       LYS  65   1.552   5.162   5.466
  521   2HB   LYS  65          1HB       LYS  65   2.083   5.019   7.141
  522   1HG   LYS  65          2HG       LYS  65   0.299   6.778   7.696
  523   2HG   LYS  65          1HG       LYS  65  -0.333   6.491   6.073
  524   1HD   LYS  65          2HD       LYS  65  -0.373   4.005   6.686
  525   2HD   LYS  65          1HD       LYS  65  -0.109   4.520   8.353
  526   1HE   LYS  65          2HE       LYS  65  -2.142   6.066   8.039
  527   2HE   LYS  65          1HE       LYS  65  -2.481   5.122   6.574
  528   1HZ   LYS  65          1HZ       LYS  65  -2.051   3.986   9.287
  529   2HZ   LYS  65          2HZ       LYS  65  -2.395   3.101   7.879
  530   3HZ   LYS  65          3HZ       LYS  65  -3.559   4.153   8.530
  531    H    GLU  66           H        GLU  66   3.672   6.122   8.344
  532    HA   GLU  66           HA       GLU  66   2.580   7.858  10.338
  533   1HB   GLU  66          2HB       GLU  66   3.824   5.651  10.588
  534   2HB   GLU  66          1HB       GLU  66   5.316   6.553  10.316
  535   1HG   GLU  66          2HG       GLU  66   4.781   8.008  12.245
  536   2HG   GLU  66          1HG       GLU  66   3.310   7.077  12.529
  537    H    LYS  67           H        LYS  67   5.318   8.224   8.141
  538    HA   LYS  67           HA       LYS  67   6.468  10.545   9.475
  539   1HB   LYS  67          2HB       LYS  67   6.782   9.059   6.886
  540   2HB   LYS  67          1HB       LYS  67   7.535  10.646   7.050
  541   1HG   LYS  67          2HG       LYS  67   8.414   9.690   9.331
  542   2HG   LYS  67          1HG       LYS  67   8.090   8.125   8.587
  543   1HD   LYS  67          2HD       LYS  67   9.496   8.764   6.651
  544   2HD   LYS  67          1HD       LYS  67   9.845  10.309   7.428
  545   1HE   LYS  67          2HE       LYS  67  10.582   8.745   9.453
  546   2HE   LYS  67          1HE       LYS  67  10.827   7.572   8.143
  547   1HZ   LYS  67          1HZ       LYS  67  12.098   9.241   6.937
  548   2HZ   LYS  67          2HZ       LYS  67  12.802   8.937   8.453
  549   3HZ   LYS  67          3HZ       LYS  67  11.890  10.348   8.204
  550    H    TYR  68           H        TYR  68   3.947  10.035   7.099
  551    HA   TYR  68           HA       TYR  68   3.879  12.701   5.961
  552   1HB   TYR  68          2HB       TYR  68   2.902  10.499   5.102
  553   2HB   TYR  68          1HB       TYR  68   1.620  10.704   6.291
  554    HD1  TYR  68           1HD      TYR  68   3.394  12.956   3.847
  555    HD2  TYR  68           2HD      TYR  68  -0.347  11.502   5.378
  556    HE1  TYR  68           1HE      TYR  68   2.170  14.427   2.267
  557    HE2  TYR  68           2HE      TYR  68  -1.568  12.975   3.803
  558    HH   TYR  68           HH       TYR  68  -0.819  14.064   1.357
  559    H    GLU  69           H        GLU  69   2.269  11.122   8.673
  560    HA   GLU  69           HA       GLU  69   0.363  13.107   9.372
  561   1HB   GLU  69          2HB       GLU  69   1.968  11.141  11.037
  562   2HB   GLU  69          1HB       GLU  69   0.564  12.021  11.642
  563   1HG   GLU  69          2HG       GLU  69  -0.689  11.061   9.603
  564   2HG   GLU  69          1HG       GLU  69   0.669   9.945   9.454
  565    H    LYS  70           H        LYS  70   3.813  12.844  10.222
  566    HA   LYS  70           HA       LYS  70   3.706  15.247  11.935
  567   1HB   LYS  70          2HB       LYS  70   5.876  13.358  10.962
  568   2HB   LYS  70          1HB       LYS  70   6.208  14.734  12.016
  569   1HG   LYS  70          2HG       LYS  70   4.792  13.846  13.750
  570   2HG   LYS  70          1HG       LYS  70   4.184  12.581  12.682
  571   1HD   LYS  70          2HD       LYS  70   6.660  11.848  12.473
  572   2HD   LYS  70          1HD       LYS  70   6.930  12.845  13.903
  573   1HE   LYS  70          2HE       LYS  70   5.343  11.543  15.196
  574   2HE   LYS  70          1HE       LYS  70   4.852  10.632  13.754
  575   1HZ   LYS  70          1HZ       LYS  70   6.526   9.413  15.012
  576   2HZ   LYS  70          2HZ       LYS  70   7.598  10.727  14.892
  577   3HZ   LYS  70          3HZ       LYS  70   7.135   9.874  13.497
  578    H    ASP  71           H        ASP  71   4.866  14.239   8.764
  579    HA   ASP  71           HA       ASP  71   6.228  16.632   7.971
  580   1HB   ASP  71          2HB       ASP  71   5.035  14.209   6.763
  581   2HB   ASP  71          1HB       ASP  71   5.130  15.582   5.672
  582    H    ILE  72           H        ILE  72   2.925  15.538   7.195
  583    HA   ILE  72           HA       ILE  72   2.000  17.944   5.997
  584    HB   ILE  72           HB       ILE  72   0.694  15.617   7.431
  585   1HG1  ILE  72          2HG1      ILE  72   1.817  15.170   5.288
  586   2HG1  ILE  72          1HG1      ILE  72   0.074  14.977   5.139
  587   1HG2  ILE  72          1HG2      ILE  72  -1.432  16.441   6.207
  588   2HG2  ILE  72          2HG2      ILE  72  -0.626  18.009   6.139
  589   3HG2  ILE  72          3HG2      ILE  72  -0.983  17.268   7.698
  590   1HD1  ILE  72          1HD1      ILE  72   0.045  17.424   4.325
  591   2HD1  ILE  72          2HD1      ILE  72   0.703  16.223   3.216
  592   3HD1  ILE  72          3HD1      ILE  72   1.790  17.256   4.142
  593    H    ALA  73           H        ALA  73   1.644  16.853   9.421
  594    HA   ALA  73           HA       ALA  73   0.137  18.972  10.454
  595   1HB   ALA  73          1HB       ALA  73   0.809  16.971  11.691
  596   2HB   ALA  73          2HB       ALA  73   1.310  18.407  12.585
  597   3HB   ALA  73          3HB       ALA  73   2.495  17.488  11.656
  598    H    ALA  74           H        ALA  74   3.722  18.866  10.414
  599    HA   ALA  74           HA       ALA  74   4.122  21.535  11.356
  600   1HB   ALA  74          1HB       ALA  74   6.423  21.142  10.440
  601   2HB   ALA  74          2HB       ALA  74   5.820  19.686   9.649
  602   3HB   ALA  74          3HB       ALA  74   5.833  19.792  11.409
  603    H    TYR  75           H        TYR  75   3.360  20.271   8.187
  604    HA   TYR  75           HA       TYR  75   4.071  22.822   6.848
  605   1HB   TYR  75          2HB       TYR  75   4.389  20.302   6.075
  606   2HB   TYR  75          1HB       TYR  75   2.725  20.494   5.522
  607    HD1  TYR  75           1HD      TYR  75   6.210  21.522   5.040
  608    HD2  TYR  75           2HD      TYR  75   2.146  22.182   3.815
  609    HE1  TYR  75           1HE      TYR  75   7.012  22.771   3.053
  610    HE2  TYR  75           2HE      TYR  75   2.949  23.431   1.828
  611    HH   TYR  75           HH       TYR  75   5.687  24.771   1.484
  612    H    ARG  76           H        ARG  76   1.326  21.343   8.347
  613    HA   ARG  76           HA       ARG  76  -0.701  22.598   6.645
  614   1HB   ARG  76          2HB       ARG  76  -0.599  20.486   8.370
  615   2HB   ARG  76          1HB       ARG  76  -1.355  21.705   9.394
  616   1HG   ARG  76          2HG       ARG  76  -2.330  21.211   6.584
  617   2HG   ARG  76          1HG       ARG  76  -2.908  20.234   7.935
  618   1HD   ARG  76          2HD       ARG  76  -4.473  21.897   8.147
  619   2HD   ARG  76          1HD       ARG  76  -3.161  22.780   8.954
  620    HE   ARG  76           HE       ARG  76  -2.565  23.653   6.632
  621   1HH1  ARG  76          1HH1      ARG  76  -5.052  24.970   7.669
  622   2HH1  ARG  76          2HH1      ARG  76  -6.139  24.792   6.332
  623   1HH2  ARG  76          1HH2      ARG  76  -4.248  22.337   4.776
  624   2HH2  ARG  76          2HH2      ARG  76  -5.684  23.303   4.694
  625    H    ALA  77           H        ALA  77   1.320  23.750   9.180
  626    HA   ALA  77           HA       ALA  77   0.121  26.367   9.202
  627   1HB   ALA  77          1HB       ALA  77  -1.665  25.334  10.435
  628   2HB   ALA  77          2HB       ALA  77  -0.682  26.183  11.628
  629   3HB   ALA  77          3HB       ALA  77  -0.532  24.435  11.446
  630    H    LYS  78           H        LYS  78   2.289  27.110   9.098
  631    HA   LYS  78           HA       LYS  78   3.906  26.691  11.589
  632   1HB   LYS  78          2HB       LYS  78   4.597  25.338   9.538
  633   2HB   LYS  78          1HB       LYS  78   4.987  26.874   8.764
  634   1HG   LYS  78          2HG       LYS  78   6.521  27.401  10.658
  635   2HG   LYS  78          1HG       LYS  78   6.187  25.807  11.337
  636   1HD   LYS  78          2HD       LYS  78   6.967  24.818   9.137
  637   2HD   LYS  78          1HD       LYS  78   7.517  26.433   8.690
  638   1HE   LYS  78          2HE       LYS  78   8.380  25.158  11.294
  639   2HE   LYS  78          1HE       LYS  78   9.272  24.887   9.784
  640   1HZ   LYS  78          1HZ       LYS  78   8.557  27.550  10.895
  641   2HZ   LYS  78          2HZ       LYS  78   9.440  27.264   9.471
  642   3HZ   LYS  78          3HZ       LYS  78  10.097  26.845  10.981
  Start of MODEL    6
    1   1H    MET   1          1HT       MET   1  -9.090  20.491  -1.387
    2   2H    MET   1          2HT       MET   1  -9.310  18.910  -0.806
    3   3H    MET   1          3HT       MET   1  -8.512  19.172  -2.283
    4    HA   MET   1           HA       MET   1  -7.507  20.001   0.395
    5   1HB   MET   1          2HB       MET   1  -7.073  17.693  -1.490
    6   2HB   MET   1          1HB       MET   1  -5.778  18.194  -0.400
    7   1HG   MET   1          2HG       MET   1  -7.472  18.041   1.492
    8   2HG   MET   1          1HG       MET   1  -8.557  17.255   0.345
    9   1HE   MET   1          1HE       MET   1  -8.026  15.079  -0.944
   10   2HE   MET   1          2HE       MET   1  -8.861  14.919   0.600
   11   3HE   MET   1          3HE       MET   1  -7.598  13.770   0.166
   12    H    LYS   2           H        LYS   2  -5.115  20.566   0.147
   13    HA   LYS   2           HA       LYS   2  -4.404  21.679  -2.527
   14   1HB   LYS   2          2HB       LYS   2  -5.672  23.265  -0.841
   15   2HB   LYS   2          1HB       LYS   2  -4.099  23.355  -0.050
   16   1HG   LYS   2          2HG       LYS   2  -4.018  25.143  -1.573
   17   2HG   LYS   2          1HG       LYS   2  -3.185  23.851  -2.438
   18   1HD   LYS   2          2HD       LYS   2  -5.062  23.397  -3.806
   19   2HD   LYS   2          1HD       LYS   2  -6.157  24.278  -2.739
   20   1HE   LYS   2          2HE       LYS   2  -5.808  25.775  -4.552
   21   2HE   LYS   2          1HE       LYS   2  -4.672  26.353  -3.317
   22   1HZ   LYS   2          1HZ       LYS   2  -3.566  26.042  -5.460
   23   2HZ   LYS   2          2HZ       LYS   2  -4.031  24.408  -5.472
   24   3HZ   LYS   2          3HZ       LYS   2  -2.949  24.977  -4.292
   25    H    LYS   3           H        LYS   3  -2.585  20.344  -2.738
   26    HA   LYS   3           HA       LYS   3  -0.609  20.282  -0.495
   27   1HB   LYS   3          2HB       LYS   3  -1.433  18.530  -2.757
   28   2HB   LYS   3          1HB       LYS   3   0.277  18.491  -2.322
   29   1HG   LYS   3          2HG       LYS   3  -0.768  16.809  -0.985
   30   2HG   LYS   3          1HG       LYS   3  -0.484  18.174   0.096
   31   1HD   LYS   3          2HD       LYS   3  -2.830  18.940  -0.343
   32   2HD   LYS   3          1HD       LYS   3  -3.093  17.467  -1.275
   33   1HE   LYS   3          2HE       LYS   3  -2.080  17.347   1.574
   34   2HE   LYS   3          1HE       LYS   3  -3.816  17.400   1.205
   35   1HZ   LYS   3          1HZ       LYS   3  -2.990  15.112   1.274
   36   2HZ   LYS   3          2HZ       LYS   3  -1.871  15.471   0.047
   37   3HZ   LYS   3          3HZ       LYS   3  -3.538  15.522  -0.277
   38    H    ASP   4           H        ASP   4   1.551  20.930  -0.872
   39    HA   ASP   4           HA       ASP   4   1.964  22.659  -3.271
   40   1HB   ASP   4          2HB       ASP   4   2.788  22.589  -0.432
   41   2HB   ASP   4          1HB       ASP   4   4.063  23.080  -1.547
   42    HA   PRO   5           HA       PRO   5   5.089  20.028  -4.920
   43   1HB   PRO   5          2HB       PRO   5   7.197  21.682  -5.482
   44   2HB   PRO   5          1HB       PRO   5   5.691  21.681  -6.424
   45   1HG   PRO   5          2HG       PRO   5   6.585  23.554  -4.290
   46   2HG   PRO   5          1HG       PRO   5   5.719  23.889  -5.796
   47   1HD   PRO   5          2HD       PRO   5   4.501  23.772  -3.365
   48   2HD   PRO   5          1HD       PRO   5   3.678  23.383  -4.890
   49    H    ASN   6           H        ASN   6   6.136  22.135  -2.289
   50    HA   ASN   6           HA       ASN   6   8.491  20.476  -1.649
   51   1HB   ASN   6          2HB       ASN   6   7.157  22.960  -0.570
   52   2HB   ASN   6          1HB       ASN   6   8.464  22.179   0.321
   53   1HD2  ASN   6          1HD2      ASN   6  10.447  21.615  -1.259
   54   2HD2  ASN   6          2HD2      ASN   6  10.896  22.870  -2.309
   55    H    ALA   7           H        ALA   7   5.188  20.967  -0.513
   56    HA   ALA   7           HA       ALA   7   5.425  19.526   1.986
   57   1HB   ALA   7          1HB       ALA   7   3.599  21.148   0.816
   58   2HB   ALA   7          2HB       ALA   7   3.194  20.062   2.146
   59   3HB   ALA   7          3HB       ALA   7   2.858  19.583   0.482
   60    HA   PRO   8           HA       PRO   8   5.198  15.441   0.419
   61   1HB   PRO   8          2HB       PRO   8   4.190  14.117   2.572
   62   2HB   PRO   8          1HB       PRO   8   5.869  14.663   2.415
   63   1HG   PRO   8          2HG       PRO   8   3.754  15.697   4.110
   64   2HG   PRO   8          1HG       PRO   8   5.497  15.932   4.146
   65   1HD   PRO   8          2HD       PRO   8   3.524  17.757   3.177
   66   2HD   PRO   8          1HD       PRO   8   5.280  17.980   3.288
   67    H    LYS   9           H        LYS   9   3.741  14.212  -0.772
   68    HA   LYS   9           HA       LYS   9   0.925  15.064  -0.822
   69   1HB   LYS   9          2HB       LYS   9   2.622  13.094  -2.376
   70   2HB   LYS   9          1HB       LYS   9   0.923  13.401  -2.738
   71   1HG   LYS   9          2HG       LYS   9   1.871  14.956  -4.148
   72   2HG   LYS   9          1HG       LYS   9   1.766  15.938  -2.687
   73   1HD   LYS   9          2HD       LYS   9   4.036  15.811  -2.268
   74   2HD   LYS   9          1HD       LYS   9   4.201  14.245  -3.063
   75   1HE   LYS   9          2HE       LYS   9   3.539  15.643  -5.230
   76   2HE   LYS   9          1HE       LYS   9   4.198  16.986  -4.274
   77   1HZ   LYS   9          1HZ       LYS   9   5.550  14.395  -4.818
   78   2HZ   LYS   9          2HZ       LYS   9   6.163  15.624  -3.818
   79   3HZ   LYS   9          3HZ       LYS   9   5.971  15.896  -5.484
   80    H    ARG  10           H        ARG  10  -0.480  12.884  -1.403
   81    HA   ARG  10           HA       ARG  10  -1.099  11.657   1.083
   82   1HB   ARG  10          2HB       ARG  10  -2.500  10.172  -0.321
   83   2HB   ARG  10          1HB       ARG  10  -2.617  11.846  -0.854
   84   1HG   ARG  10          2HG       ARG  10  -0.790  11.309  -2.549
   85   2HG   ARG  10          1HG       ARG  10  -1.017   9.613  -2.124
   86   1HD   ARG  10          2HD       ARG  10  -3.358  11.344  -2.948
   87   2HD   ARG  10          1HD       ARG  10  -2.374  10.471  -4.141
   88    HE   ARG  10           HE       ARG  10  -2.855   8.416  -2.602
   89   1HH1  ARG  10          1HH2      ARG  10  -4.709  10.100  -0.860
   90   2HH1  ARG  10          2HH2      ARG  10  -6.257   9.664  -1.502
   91   1HH2  ARG  10          1HH1      ARG  10  -4.960   8.275  -4.402
   92   2HH2  ARG  10          2HH1      ARG  10  -6.399   8.631  -3.507
   93    HA   PRO  11           HA       PRO  11   2.310   8.730   1.113
   94   1HB   PRO  11          2HB       PRO  11   1.649   7.423   3.423
   95   2HB   PRO  11          1HB       PRO  11   2.430   9.017   3.406
   96   1HG   PRO  11          2HG       PRO  11  -0.424   8.312   3.848
   97   2HG   PRO  11          1HG       PRO  11   0.564   9.561   4.620
   98   1HD   PRO  11          2HD       PRO  11  -1.247  10.067   2.637
   99   2HD   PRO  11          1HD       PRO  11   0.179  11.077   2.957
  100    HA   PRO  12           HA       PRO  12   0.402   5.124  -0.590
  101   1HB   PRO  12          2HB       PRO  12   2.263   3.190  -0.052
  102   2HB   PRO  12          1HB       PRO  12   2.496   4.432  -1.298
  103   1HG   PRO  12          2HG       PRO  12   3.593   4.295   1.464
  104   2HG   PRO  12          1HG       PRO  12   4.364   4.848  -0.030
  105   1HD   PRO  12          2HD       PRO  12   3.365   6.538   1.862
  106   2HD   PRO  12          1HD       PRO  12   3.476   6.951   0.137
  107    H    SER  13           H        SER  13   0.248   2.543   0.234
  108    HA   SER  13           HA       SER  13  -0.178   2.330   3.131
  109   1HB   SER  13          2HB       SER  13  -2.119   3.645   2.202
  110   2HB   SER  13          1HB       SER  13  -2.532   2.238   1.226
  111    HG   SER  13           HG       SER  13  -2.848   1.069   3.108
  112    H    ALA  14           H        ALA  14   1.366   0.815   1.165
  113    HA   ALA  14           HA       ALA  14   1.867  -1.440   0.782
  114   1HB   ALA  14          1HB       ALA  14  -0.528  -2.610   1.989
  115   2HB   ALA  14          2HB       ALA  14   0.246  -1.445   3.063
  116   3HB   ALA  14          3HB       ALA  14   1.164  -2.818   2.442
  117    H    PHE  15           H        PHE  15  -1.722  -1.543   0.797
  118    HA   PHE  15           HA       PHE  15  -1.921  -2.999  -1.643
  119   1HB   PHE  15          2HB       PHE  15  -3.697  -2.787   0.054
  120   2HB   PHE  15          1HB       PHE  15  -3.853  -1.069  -0.310
  121    HD1  PHE  15           1HD      PHE  15  -3.686  -4.276  -2.272
  122    HD2  PHE  15           2HD      PHE  15  -5.671  -0.517  -1.649
  123    HE1  PHE  15           1HE      PHE  15  -5.256  -4.799  -4.119
  124    HE2  PHE  15           2HE      PHE  15  -7.242  -1.041  -3.495
  125    HZ   PHE  15           HZ       PHE  15  -7.033  -3.181  -4.732
  126    H    PHE  16           H        PHE  16  -1.404   0.422  -1.073
  127    HA   PHE  16           HA       PHE  16  -2.330   1.325  -3.674
  128   1HB   PHE  16          2HB       PHE  16  -2.078   2.647  -1.498
  129   2HB   PHE  16          1HB       PHE  16  -0.342   2.652  -1.807
  130    HD1  PHE  16           1HD      PHE  16   0.620   4.195  -3.320
  131    HD2  PHE  16           2HD      PHE  16  -3.634   3.600  -3.292
  132    HE1  PHE  16           1HE      PHE  16   0.341   6.114  -4.865
  133    HE2  PHE  16           2HE      PHE  16  -3.912   5.520  -4.838
  134    HZ   PHE  16           HZ       PHE  16  -1.925   6.776  -5.625
  135    H    LEU  17           H        LEU  17   0.772   0.202  -2.390
  136    HA   LEU  17           HA       LEU  17   2.370   1.034  -4.668
  137   1HB   LEU  17          2HB       LEU  17   2.644  -1.080  -2.511
  138   2HB   LEU  17          1HB       LEU  17   3.916  -0.751  -3.687
  139    HG   LEU  17           HG       LEU  17   3.429   1.771  -2.877
  140   1HD1  LEU  17          1HD1      LEU  17   1.798   1.450  -1.228
  141   2HD1  LEU  17          2HD1      LEU  17   3.283   1.487  -0.280
  142   3HD1  LEU  17          3HD1      LEU  17   2.523  -0.057  -0.666
  143   1HD2  LEU  17          1HD2      LEU  17   5.411   1.594  -1.541
  144   2HD2  LEU  17          2HD2      LEU  17   5.582   0.417  -2.843
  145   3HD2  LEU  17          3HD2      LEU  17   5.121  -0.117  -1.226
  146    H    PHE  18           H        PHE  18   1.546  -2.253  -3.677
  147    HA   PHE  18           HA       PHE  18   1.863  -3.786  -5.920
  148   1HB   PHE  18          2HB       PHE  18   0.958  -4.627  -3.812
  149   2HB   PHE  18          1HB       PHE  18  -0.544  -3.739  -4.067
  150    HD1  PHE  18           1HD      PHE  18   1.581  -6.487  -5.430
  151    HD2  PHE  18           2HD      PHE  18  -2.300  -4.646  -5.383
  152    HE1  PHE  18           1HE      PHE  18   0.650  -8.415  -6.684
  153    HE2  PHE  18           2HE      PHE  18  -3.231  -6.572  -6.637
  154    HZ   PHE  18           HZ       PHE  18  -1.758  -8.460  -7.286
  155    H    CYS  19           H        CYS  19  -1.293  -2.066  -5.374
  156    HA   CYS  19           HA       CYS  19  -2.304  -2.569  -7.987
  157   1HB   CYS  19          2HB       CYS  19  -3.592  -1.845  -5.974
  158   2HB   CYS  19          1HB       CYS  19  -2.849  -0.253  -6.108
  159    HG   CYS  19           HG       CYS  19  -5.190  -0.281  -7.375
  160    H    SER  20           H        SER  20  -0.513   0.219  -6.692
  161    HA   SER  20           HA       SER  20  -0.608   1.906  -8.969
  162   1HB   SER  20          2HB       SER  20   0.213   2.665  -6.829
  163   2HB   SER  20          1HB       SER  20   1.501   1.465  -6.837
  164    HG   SER  20           HG       SER  20   1.175   3.723  -8.518
  165    H    GLU  21           H        GLU  21   1.498  -0.884  -8.304
  166    HA   GLU  21           HA       GLU  21   3.103  -0.344 -10.719
  167   1HB   GLU  21          2HB       GLU  21   4.379  -2.310  -9.929
  168   2HB   GLU  21          1HB       GLU  21   4.152  -1.127  -8.643
  169   1HG   GLU  21          2HG       GLU  21   2.514  -2.434  -7.565
  170   2HG   GLU  21          1HG       GLU  21   2.225  -3.415  -9.000
  171    H    HIS  22           H        HIS  22   0.426  -2.500  -9.767
  172    HA   HIS  22           HA       HIS  22   0.713  -4.011 -12.317
  173   1HB   HIS  22          2HB       HIS  22  -0.981  -4.306  -9.820
  174   2HB   HIS  22          1HB       HIS  22  -1.103  -5.384 -11.209
  175    HD1  HIS  22           1HD      HIS  22   1.413  -6.409 -11.936
  176    HD2  HIS  22           2HD      HIS  22   0.839  -5.219  -7.984
  177    HE1  HIS  22           1HE      HIS  22   3.204  -7.569 -10.570
  178    H    ARG  23           H        ARG  23  -0.450  -1.103 -11.815
  179    HA   ARG  23           HA       ARG  23  -3.253  -1.367 -12.576
  180   1HB   ARG  23          2HB       ARG  23  -2.402   0.439 -11.146
  181   2HB   ARG  23          1HB       ARG  23  -1.366   1.006 -12.451
  182   1HG   ARG  23          2HG       ARG  23  -3.159   1.803 -13.716
  183   2HG   ARG  23          1HG       ARG  23  -4.315   0.725 -12.931
  184   1HD   ARG  23          2HD       ARG  23  -2.931   2.774 -11.233
  185   2HD   ARG  23          1HD       ARG  23  -4.256   3.304 -12.291
  186    HE   ARG  23           HE       ARG  23  -4.704   0.909 -10.585
  187   1HH1  ARG  23          1HH1      ARG  23  -6.719   2.648 -12.200
  188   2HH1  ARG  23          2HH1      ARG  23  -7.534   3.448 -10.899
  189   1HH2  ARG  23          1HH2      ARG  23  -5.142   2.612  -8.534
  190   2HH2  ARG  23          2HH2      ARG  23  -6.643   3.426  -8.823
  191    HA   PRO  24           HA       PRO  24  -1.648   0.132 -16.812
  192   1HB   PRO  24          2HB       PRO  24   1.005  -0.132 -17.409
  193   2HB   PRO  24          1HB       PRO  24   0.317   1.333 -16.682
  194   1HG   PRO  24          2HG       PRO  24   1.862  -0.861 -15.419
  195   2HG   PRO  24          1HG       PRO  24   1.860   0.872 -15.064
  196   1HD   PRO  24          2HD       PRO  24   0.556  -1.033 -13.577
  197   2HD   PRO  24          1HD       PRO  24   0.136   0.690 -13.603
  198    H    LYS  25           H        LYS  25  -0.895  -2.764 -15.213
  199    HA   LYS  25           HA       LYS  25  -0.231  -4.297 -17.658
  200   1HB   LYS  25          2HB       LYS  25   0.856  -4.627 -15.405
  201   2HB   LYS  25          1HB       LYS  25  -0.702  -5.190 -14.796
  202   1HG   LYS  25          2HG       LYS  25  -0.659  -6.871 -16.748
  203   2HG   LYS  25          1HG       LYS  25   1.051  -6.463 -16.898
  204   1HD   LYS  25          2HD       LYS  25  -0.143  -7.275 -14.248
  205   2HD   LYS  25          1HD       LYS  25   0.447  -8.475 -15.398
  206   1HE   LYS  25          2HE       LYS  25   2.219  -6.151 -14.676
  207   2HE   LYS  25          1HE       LYS  25   2.102  -7.540 -13.576
  208   1HZ   LYS  25          1HZ       LYS  25   2.680  -7.695 -16.489
  209   2HZ   LYS  25          2HZ       LYS  25   2.571  -9.016 -15.424
  210   3HZ   LYS  25          3HZ       LYS  25   3.827  -7.885 -15.255
  211    H    ILE  26           H        ILE  26  -2.878  -3.896 -15.318
  212    HA   ILE  26           HA       ILE  26  -4.552  -5.994 -16.438
  213    HB   ILE  26           HB       ILE  26  -5.174  -3.588 -14.690
  214   1HG1  ILE  26          2HG1      ILE  26  -3.446  -5.067 -13.728
  215   2HG1  ILE  26          1HG1      ILE  26  -4.949  -5.188 -12.819
  216   1HG2  ILE  26          1HG2      ILE  26  -6.780  -5.892 -15.670
  217   2HG2  ILE  26          2HG2      ILE  26  -7.300  -4.272 -15.206
  218   3HG2  ILE  26          3HG2      ILE  26  -6.965  -5.480 -13.965
  219   1HD1  ILE  26          1HD1      ILE  26  -3.911  -7.144 -14.892
  220   2HD1  ILE  26          2HD1      ILE  26  -5.523  -7.229 -14.182
  221   3HD1  ILE  26          3HD1      ILE  26  -4.100  -7.432 -13.162
  222    H    LYS  27           H        LYS  27  -3.985  -2.621 -17.194
  223    HA   LYS  27           HA       LYS  27  -6.462  -2.230 -18.708
  224   1HB   LYS  27          2HB       LYS  27  -3.859  -0.750 -18.302
  225   2HB   LYS  27          1HB       LYS  27  -5.077  -0.165 -19.436
  226   1HG   LYS  27          2HG       LYS  27  -6.738  -0.425 -17.461
  227   2HG   LYS  27          1HG       LYS  27  -5.297  -0.487 -16.447
  228   1HD   LYS  27          2HD       LYS  27  -4.662   1.702 -16.987
  229   2HD   LYS  27          1HD       LYS  27  -5.617   1.715 -18.470
  230   1HE   LYS  27          2HE       LYS  27  -7.701   1.596 -17.029
  231   2HE   LYS  27          1HE       LYS  27  -6.653   1.861 -15.621
  232   1HZ   LYS  27          1HZ       LYS  27  -7.464   3.968 -16.506
  233   2HZ   LYS  27          2HZ       LYS  27  -6.795   3.605 -18.025
  234   3HZ   LYS  27          3HZ       LYS  27  -5.782   3.849 -16.683
  235    H    SER  28           H        SER  28  -3.339  -3.629 -19.367
  236    HA   SER  28           HA       SER  28  -3.323  -3.162 -22.244
  237   1HB   SER  28          2HB       SER  28  -1.876  -5.049 -20.366
  238   2HB   SER  28          1HB       SER  28  -1.520  -4.950 -22.087
  239    HG   SER  28           HG       SER  28  -0.159  -3.564 -20.956
  240    H    GLU  29           H        GLU  29  -4.030  -6.015 -20.197
  241    HA   GLU  29           HA       GLU  29  -5.058  -7.545 -22.493
  242   1HB   GLU  29          2HB       GLU  29  -4.751  -7.986 -19.518
  243   2HB   GLU  29          1HB       GLU  29  -5.521  -9.181 -20.562
  244   1HG   GLU  29          2HG       GLU  29  -2.797  -8.053 -21.208
  245   2HG   GLU  29          1HG       GLU  29  -2.989  -9.446 -20.144
  246    H    HIS  30           H        HIS  30  -6.402  -5.043 -20.842
  247    HA   HIS  30           HA       HIS  30  -9.154  -5.969 -21.397
  248   1HB   HIS  30          2HB       HIS  30  -8.241  -5.016 -18.659
  249   2HB   HIS  30          1HB       HIS  30  -9.898  -5.402 -19.107
  250    HD1  HIS  30           1HD      HIS  30 -10.545  -7.886 -19.311
  251    HD2  HIS  30           2HD      HIS  30  -6.529  -7.294 -18.381
  252    HE1  HIS  30           1HE      HIS  30  -9.630 -10.147 -18.624
  253    HA   PRO  31           HA       PRO  31  -8.226  -1.529 -22.376
  254   1HB   PRO  31          2HB       PRO  31  -9.629  -1.516 -24.738
  255   2HB   PRO  31          1HB       PRO  31  -7.924  -2.000 -24.625
  256   1HG   PRO  31          2HG       PRO  31 -10.371  -3.713 -24.717
  257   2HG   PRO  31          1HG       PRO  31  -8.825  -3.913 -25.561
  258   1HD   PRO  31          2HD       PRO  31  -9.421  -5.329 -23.348
  259   2HD   PRO  31          1HD       PRO  31  -7.765  -4.780 -23.698
  260    H    GLY  32           H        GLY  32  -9.576  -0.051 -21.430
  261   1HA   GLY  32          2HA       GLY  32 -11.679   1.107 -21.176
  262   2HA   GLY  32          1HA       GLY  32 -12.513  -0.333 -21.758
  263    H    LEU  33           H        LEU  33 -10.658  -1.925 -19.845
  264    HA   LEU  33           HA       LEU  33 -12.410  -2.498 -17.768
  265   1HB   LEU  33          2HB       LEU  33 -10.174  -3.540 -18.538
  266   2HB   LEU  33          1HB       LEU  33  -9.403  -2.404 -17.441
  267    HG   LEU  33           HG       LEU  33  -9.787  -4.665 -16.435
  268   1HD1  LEU  33          1HD1      LEU  33 -10.474  -3.843 -14.326
  269   2HD1  LEU  33          2HD1      LEU  33 -11.493  -2.600 -15.050
  270   3HD1  LEU  33          3HD1      LEU  33  -9.737  -2.460 -15.137
  271   1HD2  LEU  33          1HD2      LEU  33 -12.076  -4.863 -17.683
  272   2HD2  LEU  33          2HD2      LEU  33 -12.717  -3.982 -16.297
  273   3HD2  LEU  33          3HD2      LEU  33 -11.930  -5.542 -16.061
  274    H    SER  34           H        SER  34 -13.301  -1.143 -16.318
  275    HA   SER  34           HA       SER  34 -12.374   1.447 -15.573
  276   1HB   SER  34          2HB       SER  34 -14.093   1.253 -13.839
  277   2HB   SER  34          1HB       SER  34 -14.680   0.510 -15.323
  278    HG   SER  34           HG       SER  34 -15.040  -1.069 -13.933
  279    H    ILE  35           H        ILE  35 -12.343   1.535 -12.790
  280    HA   ILE  35           HA       ILE  35  -9.689   0.320 -12.197
  281    HB   ILE  35           HB       ILE  35 -11.353   2.441 -10.795
  282   1HG1  ILE  35          2HG1      ILE  35  -9.288   3.806 -11.780
  283   2HG1  ILE  35          1HG1      ILE  35  -9.288   2.499 -12.964
  284   1HG2  ILE  35          1HG2      ILE  35  -8.522   1.444 -10.381
  285   2HG2  ILE  35          2HG2      ILE  35  -9.836   1.466  -9.205
  286   3HG2  ILE  35          3HG2      ILE  35  -9.105   2.980  -9.737
  287   1HD1  ILE  35          1HD1      ILE  35 -10.769   4.656 -13.358
  288   2HD1  ILE  35          2HD1      ILE  35 -11.889   3.821 -12.281
  289   3HD1  ILE  35          3HD1      ILE  35 -11.385   3.060 -13.790
  290    H    GLY  36           H        GLY  36 -13.055   0.224 -11.176
  291   1HA   GLY  36          2HA       GLY  36 -12.665  -1.074  -8.647
  292   2HA   GLY  36          1HA       GLY  36 -14.158  -1.103  -9.585
  293    H    ASP  37           H        ASP  37 -13.217  -2.353 -11.925
  294    HA   ASP  37           HA       ASP  37 -13.378  -5.121 -11.213
  295   1HB   ASP  37          2HB       ASP  37 -12.537  -3.623 -13.700
  296   2HB   ASP  37          1HB       ASP  37 -12.712  -5.377 -13.664
  297    H    THR  38           H        THR  38 -10.557  -3.245 -12.438
  298    HA   THR  38           HA       THR  38  -8.710  -5.447 -12.102
  299    HB   THR  38           HB       THR  38  -8.380  -3.581 -13.681
  300    HG1  THR  38           1HG      THR  38  -6.199  -3.112 -13.035
  301   1HG2  THR  38          1HG2      THR  38  -7.518  -1.714 -11.547
  302   2HG2  THR  38          2HG2      THR  38  -9.258  -1.941 -11.719
  303   3HG2  THR  38          3HG2      THR  38  -8.303  -1.380 -13.089
  304    H    ALA  39           H        ALA  39  -9.786  -2.819 -10.013
  305    HA   ALA  39           HA       ALA  39  -7.730  -3.133  -7.984
  306   1HB   ALA  39          1HB       ALA  39  -9.457  -1.829  -6.636
  307   2HB   ALA  39          2HB       ALA  39 -10.521  -1.943  -8.038
  308   3HB   ALA  39          3HB       ALA  39  -8.989  -1.078  -8.162
  309    H    LYS  40           H        LYS  40 -10.864  -4.580  -8.638
  310    HA   LYS  40           HA       LYS  40 -11.170  -5.948  -6.093
  311   1HB   LYS  40          2HB       LYS  40 -12.364  -6.051  -8.852
  312   2HB   LYS  40          1HB       LYS  40 -12.718  -7.362  -7.725
  313   1HG   LYS  40          2HG       LYS  40 -13.627  -5.818  -6.106
  314   2HG   LYS  40          1HG       LYS  40 -13.096  -4.432  -7.058
  315   1HD   LYS  40          2HD       LYS  40 -14.604  -5.112  -8.892
  316   2HD   LYS  40          1HD       LYS  40 -15.142  -6.493  -7.934
  317   1HE   LYS  40          2HE       LYS  40 -15.334  -3.703  -6.800
  318   2HE   LYS  40          1HE       LYS  40 -16.603  -4.333  -7.870
  319   1HZ   LYS  40          1HZ       LYS  40 -16.786  -6.284  -6.470
  320   2HZ   LYS  40          2HZ       LYS  40 -17.044  -4.885  -5.542
  321   3HZ   LYS  40          3HZ       LYS  40 -15.560  -5.708  -5.450
  322    H    LYS  41           H        LYS  41  -9.925  -6.813  -9.304
  323    HA   LYS  41           HA       LYS  41  -9.227  -9.549  -8.668
  324   1HB   LYS  41          2HB       LYS  41  -9.503  -8.286 -10.935
  325   2HB   LYS  41          1HB       LYS  41  -7.828  -7.789 -10.686
  326   1HG   LYS  41          2HG       LYS  41  -7.152 -10.154 -10.486
  327   2HG   LYS  41          1HG       LYS  41  -8.825 -10.653 -10.742
  328   1HD   LYS  41          2HD       LYS  41  -8.761  -9.422 -12.948
  329   2HD   LYS  41          1HD       LYS  41  -7.029  -9.200 -12.701
  330   1HE   LYS  41          2HE       LYS  41  -6.895 -11.752 -12.403
  331   2HE   LYS  41          1HE       LYS  41  -8.537 -11.799 -13.077
  332   1HZ   LYS  41          1HZ       LYS  41  -6.196 -10.465 -14.336
  333   2HZ   LYS  41          2HZ       LYS  41  -7.770 -10.520 -14.973
  334   3HZ   LYS  41          3HZ       LYS  41  -6.857 -11.947 -14.829
  335    H    LEU  42           H        LEU  42  -7.246  -6.576  -8.930
  336    HA   LEU  42           HA       LEU  42  -4.731  -7.522  -8.153
  337   1HB   LEU  42          2HB       LEU  42  -6.267  -5.002  -8.065
  338   2HB   LEU  42          1HB       LEU  42  -4.910  -5.062  -6.944
  339    HG   LEU  42           HG       LEU  42  -3.414  -5.713  -8.810
  340   1HD1  LEU  42          1HD1      LEU  42  -5.619  -4.984 -10.721
  341   2HD1  LEU  42          2HD1      LEU  42  -5.471  -6.645 -10.149
  342   3HD1  LEU  42          3HD1      LEU  42  -4.141  -5.894 -11.030
  343   1HD2  LEU  42          1HD2      LEU  42  -3.143  -3.531  -9.541
  344   2HD2  LEU  42          2HD2      LEU  42  -4.165  -3.275  -8.127
  345   3HD2  LEU  42          3HD2      LEU  42  -4.877  -3.274  -9.740
  346    H    GLY  43           H        GLY  43  -7.147  -6.099  -5.899
  347   1HA   GLY  43          2HA       GLY  43  -5.804  -6.616  -3.485
  348   2HA   GLY  43          1HA       GLY  43  -7.564  -6.552  -3.625
  349    H    GLU  44           H        GLU  44  -7.586  -8.819  -5.552
  350    HA   GLU  44           HA       GLU  44  -7.781 -11.010  -3.653
  351   1HB   GLU  44          2HB       GLU  44  -9.026 -10.515  -5.905
  352   2HB   GLU  44          1HB       GLU  44  -7.619 -11.266  -6.658
  353   1HG   GLU  44          2HG       GLU  44  -7.981 -13.328  -5.480
  354   2HG   GLU  44          1HG       GLU  44  -9.209 -12.592  -4.449
  355    H    MET  45           H        MET  45  -5.438  -9.938  -6.083
  356    HA   MET  45           HA       MET  45  -3.676 -12.255  -5.731
  357   1HB   MET  45          2HB       MET  45  -3.614  -9.614  -7.199
  358   2HB   MET  45          1HB       MET  45  -2.192 -10.656  -7.150
  359   1HG   MET  45          2HG       MET  45  -3.693 -12.538  -7.980
  360   2HG   MET  45          1HG       MET  45  -4.920 -11.308  -8.283
  361   1HE   MET  45          1HE       MET  45  -5.190 -10.013 -10.013
  362   2HE   MET  45          2HE       MET  45  -4.089  -9.559 -11.311
  363   3HE   MET  45          3HE       MET  45  -3.901  -8.839  -9.714
  364    H    TRP  46           H        TRP  46  -3.706  -8.816  -4.752
  365    HA   TRP  46           HA       TRP  46  -1.200  -8.577  -3.477
  366   1HB   TRP  46          2HB       TRP  46  -2.751  -6.740  -3.832
  367   2HB   TRP  46          1HB       TRP  46  -3.943  -7.468  -2.767
  368    HD1  TRP  46           HD       TRP  46  -3.980  -6.248  -0.535
  369    HE1  TRP  46           1HE      TRP  46  -2.227  -5.166   1.016
  370    HE3  TRP  46           3HE      TRP  46   0.228  -7.063  -3.282
  371    HZ2  TRP  46           2HZ      TRP  46   0.600  -4.708   1.073
  372    HZ3  TRP  46           3HZ      TRP  46   2.442  -6.298  -2.467
  373    HH2  TRP  46           HH       TRP  46   2.627  -5.125  -0.296
  374    H    SER  47           H        SER  47  -4.271  -9.805  -2.083
  375    HA   SER  47           HA       SER  47  -3.191 -10.420   0.519
  376   1HB   SER  47          2HB       SER  47  -5.610 -10.120  -0.175
  377   2HB   SER  47          1HB       SER  47  -5.520 -11.702  -0.944
  378    HG   SER  47           HG       SER  47  -5.155 -12.627   1.032
  379    H    GLU  48           H        GLU  48  -2.656 -11.901  -2.523
  380    HA   GLU  48           HA       GLU  48  -2.007 -14.540  -1.314
  381   1HB   GLU  48          2HB       GLU  48  -2.643 -13.495  -4.076
  382   2HB   GLU  48          1HB       GLU  48  -1.917 -15.084  -3.846
  383   1HG   GLU  48          2HG       GLU  48  -4.399 -14.271  -2.339
  384   2HG   GLU  48          1HG       GLU  48  -4.497 -14.964  -3.958
  385    H    GLN  49           H        GLN  49  -0.568 -11.613  -2.453
  386    HA   GLN  49           HA       GLN  49   1.856 -12.562  -3.608
  387   1HB   GLN  49          2HB       GLN  49   1.211 -10.116  -1.923
  388   2HB   GLN  49          1HB       GLN  49   2.701 -10.313  -2.839
  389   1HG   GLN  49          2HG       GLN  49  -0.093 -10.301  -4.008
  390   2HG   GLN  49          1HG       GLN  49   1.058  -8.975  -4.099
  391   1HE2  GLN  49          1HE2      GLN  49  -0.166 -10.863  -6.241
  392   2HE2  GLN  49          2HE2      GLN  49   1.187 -11.408  -7.107
  393    H    SER  50           H        SER  50   3.822 -13.144  -2.649
  394    HA   SER  50           HA       SER  50   3.707 -13.969   0.198
  395   1HB   SER  50          2HB       SER  50   5.685 -15.272  -0.433
  396   2HB   SER  50          1HB       SER  50   4.446 -15.491  -1.666
  397    HG   SER  50           HG       SER  50   6.605 -14.993  -2.456
  398    H    ALA  51           H        ALA  51   6.643 -13.759   0.483
  399    HA   ALA  51           HA       ALA  51   6.786 -10.992   1.397
  400   1HB   ALA  51          1HB       ALA  51   9.199 -11.816   1.891
  401   2HB   ALA  51          2HB       ALA  51   8.635 -13.381   1.307
  402   3HB   ALA  51          3HB       ALA  51   7.875 -12.639   2.714
  403    H    LYS  52           H        LYS  52   7.403 -12.503  -1.629
  404    HA   LYS  52           HA       LYS  52   9.633 -10.863  -2.508
  405   1HB   LYS  52          2HB       LYS  52   8.527 -13.150  -3.342
  406   2HB   LYS  52          1HB       LYS  52   7.625 -12.051  -4.386
  407   1HG   LYS  52          2HG       LYS  52   9.726 -11.094  -5.227
  408   2HG   LYS  52          1HG       LYS  52  10.648 -12.154  -4.159
  409   1HD   LYS  52          2HD       LYS  52   9.437 -14.103  -5.312
  410   2HD   LYS  52          1HD       LYS  52   8.943 -12.927  -6.530
  411   1HE   LYS  52          2HE       LYS  52  10.945 -13.712  -7.458
  412   2HE   LYS  52          1HE       LYS  52  11.542 -12.331  -6.515
  413   1HZ   LYS  52          1HZ       LYS  52  11.337 -15.125  -5.520
  414   2HZ   LYS  52          2HZ       LYS  52  11.935 -13.795  -4.648
  415   3HZ   LYS  52          3HZ       LYS  52  12.777 -14.371  -6.007
  416    H    ASP  53           H        ASP  53   6.095 -10.729  -3.005
  417    HA   ASP  53           HA       ASP  53   6.408  -7.885  -3.921
  418   1HB   ASP  53          2HB       ASP  53   4.937 -10.247  -4.921
  419   2HB   ASP  53          1HB       ASP  53   3.997  -8.757  -4.886
  420    H    LYS  54           H        LYS  54   6.265  -8.033  -1.306
  421    HA   LYS  54           HA       LYS  54   3.725  -6.839  -0.587
  422   1HB   LYS  54          2HB       LYS  54   3.676  -9.541  -0.724
  423   2HB   LYS  54          1HB       LYS  54   4.174  -9.325   0.947
  424   1HG   LYS  54          2HG       LYS  54   2.221  -7.627   1.094
  425   2HG   LYS  54          1HG       LYS  54   1.670  -8.337  -0.418
  426   1HD   LYS  54          2HD       LYS  54   0.523  -9.527   1.292
  427   2HD   LYS  54          1HD       LYS  54   1.810 -10.601   0.746
  428   1HE   LYS  54          2HE       LYS  54   2.054 -10.718   3.083
  429   2HE   LYS  54          1HE       LYS  54   3.193  -9.417   2.680
  430   1HZ   LYS  54          1HZ       LYS  54   1.429  -7.805   3.028
  431   2HZ   LYS  54          2HZ       LYS  54   1.662  -8.729   4.434
  432   3HZ   LYS  54          3HZ       LYS  54   0.337  -9.043   3.418
  433    H    GLN  55           H        GLN  55   6.776  -8.286   0.507
  434    HA   GLN  55           HA       GLN  55   6.704  -7.158   3.179
  435   1HB   GLN  55          2HB       GLN  55   8.617  -8.556   1.377
  436   2HB   GLN  55          1HB       GLN  55   9.314  -7.640   2.711
  437   1HG   GLN  55          2HG       GLN  55   7.099  -9.682   3.039
  438   2HG   GLN  55          1HG       GLN  55   8.809 -10.033   3.293
  439   1HE2  GLN  55          1HE2      GLN  55   6.014  -9.055   4.909
  440   2HE2  GLN  55          2HE2      GLN  55   6.740  -8.342   6.268
  441    HA   PRO  56           HA       PRO  56   9.622  -3.813   1.399
  442   1HB   PRO  56          2HB       PRO  56   9.908  -3.612  -1.314
  443   2HB   PRO  56          1HB       PRO  56  10.965  -4.615  -0.300
  444   1HG   PRO  56          2HG       PRO  56   8.650  -5.417  -1.992
  445   2HG   PRO  56          1HG       PRO  56  10.201  -6.233  -1.742
  446   1HD   PRO  56          2HD       PRO  56   7.905  -6.997  -0.522
  447   2HD   PRO  56          1HD       PRO  56   9.512  -7.237   0.196
  448    H    TYR  57           H        TYR  57   6.513  -4.609   0.216
  449    HA   TYR  57           HA       TYR  57   5.964  -1.871  -0.795
  450   1HB   TYR  57          2HB       TYR  57   4.499  -4.520  -0.761
  451   2HB   TYR  57          1HB       TYR  57   3.724  -3.030  -1.300
  452    HD1  TYR  57           1HD      TYR  57   5.195  -5.844  -2.542
  453    HD2  TYR  57           2HD      TYR  57   5.576  -1.580  -2.841
  454    HE1  TYR  57           1HE      TYR  57   6.258  -6.094  -4.770
  455    HE2  TYR  57           2HE      TYR  57   6.639  -1.827  -5.067
  456    HH   TYR  57           HH       TYR  57   6.527  -3.721  -6.953
  457    H    GLU  58           H        GLU  58   5.118  -4.086   1.840
  458    HA   GLU  58           HA       GLU  58   3.185  -2.201   3.013
  459   1HB   GLU  58          2HB       GLU  58   2.884  -3.979   4.652
  460   2HB   GLU  58          1HB       GLU  58   2.952  -4.696   3.047
  461   1HG   GLU  58          2HG       GLU  58   5.437  -5.111   3.467
  462   2HG   GLU  58          1HG       GLU  58   5.138  -4.653   5.140
  463    H    GLN  59           H        GLN  59   6.526  -3.227   3.556
  464    HA   GLN  59           HA       GLN  59   6.890  -1.895   6.101
  465   1HB   GLN  59          2HB       GLN  59   8.730  -2.862   3.893
  466   2HB   GLN  59          1HB       GLN  59   9.336  -2.187   5.406
  467   1HG   GLN  59          2HG       GLN  59   7.927  -3.905   6.623
  468   2HG   GLN  59          1HG       GLN  59   7.618  -4.655   5.057
  469   1HE2  GLN  59          1HE2      GLN  59   9.644  -5.330   3.799
  470   2HE2  GLN  59          2HE2      GLN  59  10.998  -5.839   4.688
  471    H    LYS  60           H        LYS  60   8.354  -1.041   2.942
  472    HA   LYS  60           HA       LYS  60   9.157   1.569   3.529
  473   1HB   LYS  60          2HB       LYS  60   9.669   0.194   1.512
  474   2HB   LYS  60          1HB       LYS  60   8.038   0.505   0.919
  475   1HG   LYS  60          2HG       LYS  60   8.994   3.048   1.538
  476   2HG   LYS  60          1HG       LYS  60  10.401   2.234   0.857
  477   1HD   LYS  60          2HD       LYS  60   9.154   1.643  -1.146
  478   2HD   LYS  60          1HD       LYS  60   7.669   2.299  -0.456
  479   1HE   LYS  60          2HE       LYS  60   9.066   4.519  -0.237
  480   2HE   LYS  60          1HE       LYS  60  10.083   3.774  -1.484
  481   1HZ   LYS  60          1HZ       LYS  60   8.044   3.311  -2.758
  482   2HZ   LYS  60          2HZ       LYS  60   8.305   4.976  -2.542
  483   3HZ   LYS  60          3HZ       LYS  60   7.139   4.167  -1.606
  484    H    ALA  61           H        ALA  61   5.852   0.478   3.095
  485    HA   ALA  61           HA       ALA  61   4.890   3.241   2.570
  486   1HB   ALA  61          1HB       ALA  61   2.894   2.177   1.922
  487   2HB   ALA  61          2HB       ALA  61   3.206   0.772   2.942
  488   3HB   ALA  61          3HB       ALA  61   4.124   1.004   1.455
  489    H    ALA  62           H        ALA  62   4.798   0.686   5.037
  490    HA   ALA  62           HA       ALA  62   2.954   1.979   6.836
  491   1HB   ALA  62          1HB       ALA  62   5.188  -0.043   7.195
  492   2HB   ALA  62          2HB       ALA  62   3.468  -0.381   7.000
  493   3HB   ALA  62          3HB       ALA  62   4.056   0.384   8.477
  494    H    LYS  63           H        LYS  63   6.493   2.052   6.522
  495    HA   LYS  63           HA       LYS  63   6.937   3.734   8.855
  496   1HB   LYS  63          2HB       LYS  63   8.529   2.105   7.699
  497   2HB   LYS  63          1HB       LYS  63   8.720   3.326   6.439
  498   1HG   LYS  63          2HG       LYS  63   9.480   4.956   8.132
  499   2HG   LYS  63          1HG       LYS  63   9.298   3.732   9.390
  500   1HD   LYS  63          2HD       LYS  63  11.059   2.411   8.522
  501   2HD   LYS  63          1HD       LYS  63  11.032   3.245   6.969
  502   1HE   LYS  63          2HE       LYS  63  11.673   5.370   8.313
  503   2HE   LYS  63          1HE       LYS  63  12.111   4.240   9.610
  504   1HZ   LYS  63          1HZ       LYS  63  13.467   3.009   8.024
  505   2HZ   LYS  63          2HZ       LYS  63  13.993   4.621   8.137
  506   3HZ   LYS  63          3HZ       LYS  63  13.075   4.116   6.800
  507    H    LEU  64           H        LEU  64   7.401   4.431   5.365
  508    HA   LEU  64           HA       LEU  64   7.738   7.220   5.540
  509   1HB   LEU  64          2HB       LEU  64   6.684   5.309   3.477
  510   2HB   LEU  64          1HB       LEU  64   6.660   7.040   3.144
  511    HG   LEU  64           HG       LEU  64   9.133   5.538   4.045
  512   1HD1  LEU  64          1HD1      LEU  64   8.608   6.547   1.252
  513   2HD1  LEU  64          2HD1      LEU  64   8.121   4.923   1.735
  514   3HD1  LEU  64          3HD1      LEU  64   9.821   5.388   1.792
  515   1HD2  LEU  64          1HD2      LEU  64   9.370   7.842   4.562
  516   2HD2  LEU  64          2HD2      LEU  64   8.545   8.342   3.085
  517   3HD2  LEU  64          3HD2      LEU  64  10.171   7.663   3.000
  518    H    LYS  65           H        LYS  65   4.788   5.360   5.866
  519    HA   LYS  65           HA       LYS  65   2.996   7.635   5.394
  520   1HB   LYS  65          2HB       LYS  65   2.375   5.302   4.894
  521   2HB   LYS  65          1HB       LYS  65   2.589   4.870   6.591
  522   1HG   LYS  65          2HG       LYS  65   0.798   6.461   7.212
  523   2HG   LYS  65          1HG       LYS  65   0.579   6.872   5.511
  524   1HD   LYS  65          2HD       LYS  65   0.217   4.335   5.150
  525   2HD   LYS  65          1HD       LYS  65  -0.004   4.257   6.898
  526   1HE   LYS  65          2HE       LYS  65  -1.699   6.210   6.550
  527   2HE   LYS  65          1HE       LYS  65  -1.696   5.689   4.852
  528   1HZ   LYS  65          1HZ       LYS  65  -2.156   3.918   7.195
  529   2HZ   LYS  65          2HZ       LYS  65  -2.155   3.433   5.566
  530   3HZ   LYS  65          3HZ       LYS  65  -3.363   4.481   6.144
  531    H    GLU  66           H        GLU  66   4.118   5.749   8.214
  532    HA   GLU  66           HA       GLU  66   2.704   7.090  10.269
  533   1HB   GLU  66          2HB       GLU  66   5.333   5.647  10.033
  534   2HB   GLU  66          1HB       GLU  66   4.893   6.399  11.567
  535   1HG   GLU  66          2HG       GLU  66   2.998   4.560  10.100
  536   2HG   GLU  66          1HG       GLU  66   4.195   3.944  11.240
  537    H    LYS  67           H        LYS  67   5.752   7.980   8.669
  538    HA   LYS  67           HA       LYS  67   6.130  10.342  10.396
  539   1HB   LYS  67          2HB       LYS  67   7.918   8.775   9.440
  540   2HB   LYS  67          1HB       LYS  67   7.615   9.547   7.882
  541   1HG   LYS  67          2HG       LYS  67   8.237  11.712   8.758
  542   2HG   LYS  67          1HG       LYS  67   8.340  11.072  10.398
  543   1HD   LYS  67          2HD       LYS  67  10.029   9.921   8.182
  544   2HD   LYS  67          1HD       LYS  67  10.550  11.355   9.069
  545   1HE   LYS  67          2HE       LYS  67  10.498  10.149  11.179
  546   2HE   LYS  67          1HE       LYS  67   9.782   8.729  10.391
  547   1HZ   LYS  67          1HZ       LYS  67  12.189   8.499  10.577
  548   2HZ   LYS  67          2HZ       LYS  67  12.409   9.942   9.708
  549   3HZ   LYS  67          3HZ       LYS  67  11.715   8.588   8.951
  550    H    TYR  68           H        TYR  68   4.432   9.621   7.488
  551    HA   TYR  68           HA       TYR  68   4.713  12.222   6.194
  552   1HB   TYR  68          2HB       TYR  68   3.554   9.598   5.737
  553   2HB   TYR  68          1HB       TYR  68   2.385  10.843   5.340
  554    HD1  TYR  68           1HD      TYR  68   6.101  10.517   5.028
  555    HD2  TYR  68           2HD      TYR  68   2.371  11.354   3.075
  556    HE1  TYR  68           1HE      TYR  68   7.315  10.960   2.908
  557    HE2  TYR  68           2HE      TYR  68   3.583  11.798   0.951
  558    HH   TYR  68           HH       TYR  68   6.396  12.593   0.573
  559    H    GLU  69           H        GLU  69   2.240  10.590   8.137
  560    HA   GLU  69           HA       GLU  69   0.197  12.551   8.074
  561   1HB   GLU  69          2HB       GLU  69   1.032  10.670  10.310
  562   2HB   GLU  69          1HB       GLU  69  -0.560  11.410  10.135
  563   1HG   GLU  69          2HG       GLU  69  -0.509  10.330   7.745
  564   2HG   GLU  69          1HG       GLU  69   0.731   9.286   8.438
  565    H    LYS  70           H        LYS  70   2.860  12.166  10.445
  566    HA   LYS  70           HA       LYS  70   2.245  14.494  12.020
  567   1HB   LYS  70          2HB       LYS  70   4.601  12.707  11.502
  568   2HB   LYS  70          1HB       LYS  70   4.889  14.224  12.356
  569   1HG   LYS  70          2HG       LYS  70   3.486  13.626  14.148
  570   2HG   LYS  70          1HG       LYS  70   2.656  12.388  13.205
  571   1HD   LYS  70          2HD       LYS  70   4.970  11.227  13.079
  572   2HD   LYS  70          1HD       LYS  70   5.417  12.291  14.413
  573   1HE   LYS  70          2HE       LYS  70   3.452  11.444  15.709
  574   2HE   LYS  70          1HE       LYS  70   3.120  10.300  14.392
  575   1HZ   LYS  70          1HZ       LYS  70   5.322   9.394  14.623
  576   2HZ   LYS  70          2HZ       LYS  70   4.547   9.335  16.135
  577   3HZ   LYS  70          3HZ       LYS  70   5.716  10.528  15.820
  578    H    ASP  71           H        ASP  71   4.556  13.961   9.364
  579    HA   ASP  71           HA       ASP  71   5.549  16.586   9.017
  580   1HB   ASP  71          2HB       ASP  71   5.236  14.087   7.476
  581   2HB   ASP  71          1HB       ASP  71   5.391  15.525   6.475
  582    H    ILE  72           H        ILE  72   2.694  15.053   7.511
  583    HA   ILE  72           HA       ILE  72   1.851  17.352   6.000
  584    HB   ILE  72           HB       ILE  72   0.663  14.753   6.973
  585   1HG1  ILE  72          2HG1      ILE  72   2.191  14.819   5.023
  586   2HG1  ILE  72          1HG1      ILE  72   0.574  14.285   4.568
  587   1HG2  ILE  72          1HG2      ILE  72  -1.308  16.090   7.096
  588   2HG2  ILE  72          2HG2      ILE  72  -1.374  15.327   5.509
  589   3HG2  ILE  72          3HG2      ILE  72  -0.869  17.011   5.657
  590   1HD1  ILE  72          1HD1      ILE  72   0.718  17.162   4.373
  591   2HD1  ILE  72          2HD1      ILE  72   0.383  15.986   3.104
  592   3HD1  ILE  72          3HD1      ILE  72   2.046  16.443   3.464
  593    H    ALA  73           H        ALA  73   1.235  16.253   9.309
  594    HA   ALA  73           HA       ALA  73  -0.880  18.100   9.953
  595   1HB   ALA  73          1HB       ALA  73  -0.277  16.037  11.212
  596   2HB   ALA  73          2HB       ALA  73  -0.313  17.454  12.261
  597   3HB   ALA  73          3HB       ALA  73   1.232  16.804  11.712
  598    H    ALA  74           H        ALA  74   2.648  18.338  10.016
  599    HA   ALA  74           HA       ALA  74   2.601  20.988  11.322
  600   1HB   ALA  74          1HB       ALA  74   5.082  20.717  11.052
  601   2HB   ALA  74          2HB       ALA  74   4.781  19.212  10.183
  602   3HB   ALA  74          3HB       ALA  74   4.326  19.356  11.881
  603    H    TYR  75           H        TYR  75   2.371  19.758   8.126
  604    HA   TYR  75           HA       TYR  75   3.443  22.277   6.929
  605   1HB   TYR  75          2HB       TYR  75   4.052  19.775   6.306
  606   2HB   TYR  75          1HB       TYR  75   2.549  19.860   5.386
  607    HD1  TYR  75           1HD      TYR  75   2.250  21.966   3.856
  608    HD2  TYR  75           2HD      TYR  75   6.031  20.593   5.358
  609    HE1  TYR  75           1HE      TYR  75   3.416  23.218   2.061
  610    HE2  TYR  75           2HE      TYR  75   7.198  21.844   3.562
  611    HH   TYR  75           HH       TYR  75   5.752  22.946   0.853
  612    H    ARG  76           H        ARG  76   0.533  20.375   7.416
  613    HA   ARG  76           HA       ARG  76  -1.080  21.857   5.466
  614   1HB   ARG  76          2HB       ARG  76  -1.413  19.469   6.095
  615   2HB   ARG  76          1HB       ARG  76  -1.835  19.982   7.730
  616   1HG   ARG  76          2HG       ARG  76  -3.819  21.042   7.014
  617   2HG   ARG  76          1HG       ARG  76  -3.291  21.087   5.332
  618   1HD   ARG  76          2HD       ARG  76  -3.716  18.788   5.005
  619   2HD   ARG  76          1HD       ARG  76  -3.703  18.448   6.748
  620    HE   ARG  76           HE       ARG  76  -5.804  20.226   5.582
  621   1HH1  ARG  76          1HH2      ARG  76  -5.975  17.093   5.585
  622   2HH1  ARG  76          2HH2      ARG  76  -7.023  16.864   6.945
  623   1HH2  ARG  76          1HH1      ARG  76  -6.646  20.106   8.116
  624   2HH2  ARG  76          2HH1      ARG  76  -7.403  18.570   8.378
  625    H    ALA  77           H        ALA  77   0.044  22.568   8.611
  626    HA   ALA  77           HA       ALA  77  -1.733  24.888   8.819
  627   1HB   ALA  77          1HB       ALA  77  -2.619  24.094  11.052
  628   2HB   ALA  77          2HB       ALA  77  -1.899  22.521  10.709
  629   3HB   ALA  77          3HB       ALA  77  -3.186  23.145   9.678
  630    H    LYS  78           H        LYS  78   0.289  26.036   8.895
  631    HA   LYS  78           HA       LYS  78   2.100  25.459  11.196
  632   1HB   LYS  78          2HB       LYS  78   2.262  26.866   8.548
  633   2HB   LYS  78          1HB       LYS  78   3.404  27.310   9.817
  634   1HG   LYS  78          2HG       LYS  78   3.751  24.725  10.051
  635   2HG   LYS  78          1HG       LYS  78   3.064  24.667   8.426
  636   1HD   LYS  78          2HD       LYS  78   4.828  25.887   7.494
  637   2HD   LYS  78          1HD       LYS  78   5.279  26.605   9.040
  638   1HE   LYS  78          2HE       LYS  78   5.803  24.120   9.736
  639   2HE   LYS  78          1HE       LYS  78   5.901  23.858   7.984
  640   1HZ   LYS  78          1HZ       LYS  78   7.346  25.954   9.519
  641   2HZ   LYS  78          2HZ       LYS  78   7.394  25.769   7.831
  642   3HZ   LYS  78          3HZ       LYS  78   8.043  24.566   8.839
  Start of MODEL    7
    1   1H    MET   1          1HT       MET   1 -15.166  15.341   5.220
    2   2H    MET   1          2HT       MET   1 -15.039  17.023   5.011
    3   3H    MET   1          3HT       MET   1 -15.006  16.353   6.572
    4    HA   MET   1           HA       MET   1 -12.767  16.967   5.908
    5   1HB   MET   1          2HB       MET   1 -13.781  14.264   6.492
    6   2HB   MET   1          1HB       MET   1 -12.146  14.271   5.830
    7   1HG   MET   1          2HG       MET   1 -11.733  14.517   8.117
    8   2HG   MET   1          1HG       MET   1 -11.744  16.194   7.572
    9   1HE   MET   1          1HE       MET   1 -11.702  15.817  10.107
   10   2HE   MET   1          2HE       MET   1 -12.913  14.826  10.918
   11   3HE   MET   1          3HE       MET   1 -13.065  16.581  10.936
   12    H    LYS   2           H        LYS   2 -11.896  17.645   3.989
   13    HA   LYS   2           HA       LYS   2 -11.742  15.682   1.734
   14   1HB   LYS   2          2HB       LYS   2 -13.617  17.462   1.616
   15   2HB   LYS   2          1HB       LYS   2 -12.315  18.625   1.365
   16   1HG   LYS   2          2HG       LYS   2 -11.698  17.696  -0.688
   17   2HG   LYS   2          1HG       LYS   2 -12.418  16.131  -0.306
   18   1HD   LYS   2          2HD       LYS   2 -14.676  17.388  -0.290
   19   2HD   LYS   2          1HD       LYS   2 -13.808  18.683  -1.117
   20   1HE   LYS   2          2HE       LYS   2 -13.247  17.242  -2.966
   21   2HE   LYS   2          1HE       LYS   2 -13.824  15.808  -2.094
   22   1HZ   LYS   2          1HZ       LYS   2 -15.523  16.648  -3.610
   23   2HZ   LYS   2          2HZ       LYS   2 -15.483  18.161  -2.838
   24   3HZ   LYS   2          3HZ       LYS   2 -16.028  16.789  -1.997
   25    H    LYS   3           H        LYS   3  -9.877  15.999   0.379
   26    HA   LYS   3           HA       LYS   3  -7.708  17.607   1.665
   27   1HB   LYS   3          2HB       LYS   3  -7.939  15.080   0.093
   28   2HB   LYS   3          1HB       LYS   3  -6.453  16.012  -0.102
   29   1HG   LYS   3          2HG       LYS   3  -5.998  14.556   1.711
   30   2HG   LYS   3          1HG       LYS   3  -6.386  16.099   2.475
   31   1HD   LYS   3          2HD       LYS   3  -8.740  15.325   2.762
   32   2HD   LYS   3          1HD       LYS   3  -8.276  13.757   2.098
   33   1HE   LYS   3          2HE       LYS   3  -6.679  13.415   3.931
   34   2HE   LYS   3          1HE       LYS   3  -7.063  15.020   4.585
   35   1HZ   LYS   3          1HZ       LYS   3  -8.394  13.294   5.657
   36   2HZ   LYS   3          2HZ       LYS   3  -9.018  12.822   4.149
   37   3HZ   LYS   3          3HZ       LYS   3  -9.376  14.360   4.777
   38    H    ASP   4           H        ASP   4  -6.345  18.920   0.299
   39    HA   ASP   4           HA       ASP   4  -7.735  19.962  -2.121
   40   1HB   ASP   4          2HB       ASP   4  -5.906  20.943  -0.011
   41   2HB   ASP   4          1HB       ASP   4  -5.592  21.595  -1.619
   42    HA   PRO   5           HA       PRO   5  -4.694  18.402  -4.902
   43   1HB   PRO   5          2HB       PRO   5  -4.021  20.529  -6.487
   44   2HB   PRO   5          1HB       PRO   5  -5.584  19.697  -6.602
   45   1HG   PRO   5          2HG       PRO   5  -4.901  22.263  -5.257
   46   2HG   PRO   5          1HG       PRO   5  -6.342  21.824  -6.187
   47   1HD   PRO   5          2HD       PRO   5  -6.280  21.896  -3.464
   48   2HD   PRO   5          1HD       PRO   5  -7.359  20.832  -4.392
   49    H    ASN   6           H        ASN   6  -3.807  21.359  -3.197
   50    HA   ASN   6           HA       ASN   6  -0.925  21.045  -3.683
   51   1HB   ASN   6          2HB       ASN   6  -2.728  22.869  -2.093
   52   2HB   ASN   6          1HB       ASN   6  -0.976  22.951  -1.909
   53   1HD2  ASN   6          1HD2      ASN   6  -3.603  24.015  -3.844
   54   2HD2  ASN   6          2HD2      ASN   6  -2.696  24.640  -5.136
   55    H    ALA   7           H        ALA   7  -3.263  20.235  -1.178
   56    HA   ALA   7           HA       ALA   7  -1.263  19.566   0.857
   57   1HB   ALA   7          1HB       ALA   7  -3.261  18.819   2.081
   58   2HB   ALA   7          2HB       ALA   7  -4.216  18.909   0.601
   59   3HB   ALA   7          3HB       ALA   7  -3.569  20.381   1.324
   60    HA   PRO   8           HA       PRO   8  -0.675  15.410  -0.410
   61   1HB   PRO   8          2HB       PRO   8   0.045  14.238   1.930
   62   2HB   PRO   8          1HB       PRO   8   1.100  15.285   0.967
   63   1HG   PRO   8          2HG       PRO   8  -0.212  15.826   3.501
   64   2HG   PRO   8          1HG       PRO   8   1.137  16.613   2.693
   65   1HD   PRO   8          2HD       PRO   8  -1.553  17.535   2.841
   66   2HD   PRO   8          1HD       PRO   8  -0.167  18.301   2.040
   67    H    LYS   9           H        LYS   9  -1.948  13.529  -0.672
   68    HA   LYS   9           HA       LYS   9  -4.504  13.426   0.794
   69   1HB   LYS   9          2HB       LYS   9  -3.226  12.029  -1.556
   70   2HB   LYS   9          1HB       LYS   9  -4.754  11.460  -0.883
   71   1HG   LYS   9          2HG       LYS   9  -5.544  12.952  -2.469
   72   2HG   LYS   9          1HG       LYS   9  -5.406  14.026  -1.076
   73   1HD   LYS   9          2HD       LYS   9  -3.424  15.004  -1.864
   74   2HD   LYS   9          1HD       LYS   9  -3.072  13.651  -2.939
   75   1HE   LYS   9          2HE       LYS   9  -5.567  15.285  -3.377
   76   2HE   LYS   9          1HE       LYS   9  -4.004  15.860  -3.994
   77   1HZ   LYS   9          1HZ       LYS   9  -3.667  13.680  -5.017
   78   2HZ   LYS   9          2HZ       LYS   9  -5.064  14.435  -5.624
   79   3HZ   LYS   9          3HZ       LYS   9  -5.198  13.181  -4.484
   80    H    ARG  10           H        ARG  10  -5.093  10.837   1.008
   81    HA   ARG  10           HA       ARG  10  -3.767   9.938   3.369
   82   1HB   ARG  10          2HB       ARG  10  -5.097   7.879   2.966
   83   2HB   ARG  10          1HB       ARG  10  -6.060   9.330   2.693
   84   1HG   ARG  10          2HG       ARG  10  -5.180   9.033   0.201
   85   2HG   ARG  10          1HG       ARG  10  -5.005   7.354   0.708
   86   1HD   ARG  10          2HD       ARG  10  -7.324   7.128   1.168
   87   2HD   ARG  10          1HD       ARG  10  -7.575   8.886   1.173
   88    HE   ARG  10           HE       ARG  10  -6.820   8.724  -1.314
   89   1HH1  ARG  10          1HH1      ARG  10  -9.712   7.936  -0.591
   90   2HH1  ARG  10          2HH1      ARG  10  -9.890   6.491  -1.529
   91   1HH2  ARG  10          1HH2      ARG  10  -6.488   6.121  -2.090
   92   2HH2  ARG  10          2HH2      ARG  10  -8.065   5.464  -2.378
   93    HA   PRO  11           HA       PRO  11  -0.191   8.026   1.547
   94   1HB   PRO  11          2HB       PRO  11   0.592   6.462   3.651
   95   2HB   PRO  11          1HB       PRO  11   0.829   8.220   3.617
   96   1HG   PRO  11          2HG       PRO  11  -1.225   6.613   5.034
   97   2HG   PRO  11          1HG       PRO  11  -0.396   8.090   5.543
   98   1HD   PRO  11          2HD       PRO  11  -2.958   8.013   4.561
   99   2HD   PRO  11          1HD       PRO  11  -1.904   9.443   4.504
  100    HA   PRO  12           HA       PRO  12  -1.367   4.003   0.162
  101   1HB   PRO  12          2HB       PRO  12   0.926   2.503   0.283
  102   2HB   PRO  12          1HB       PRO  12   0.656   3.762  -0.936
  103   1HG   PRO  12          2HG       PRO  12   2.228   3.885   1.592
  104   2HG   PRO  12          1HG       PRO  12   2.604   4.553  -0.005
  105   1HD   PRO  12          2HD       PRO  12   1.647   6.066   2.025
  106   2HD   PRO  12          1HD       PRO  12   1.298   6.417   0.317
  107    H    SER  13           H        SER  13  -0.581   1.422   0.970
  108    HA   SER  13           HA       SER  13  -0.452   1.070   3.831
  109   1HB   SER  13          2HB       SER  13  -2.645   2.071   3.830
  110   2HB   SER  13          1HB       SER  13  -3.167   1.060   2.486
  111    HG   SER  13           HG       SER  13  -3.933   0.058   4.268
  112    H    ALA  14           H        ALA  14   0.953  -0.297   1.871
  113    HA   ALA  14           HA       ALA  14   1.563  -2.493   1.361
  114   1HB   ALA  14          1HB       ALA  14   0.845  -4.103   2.810
  115   2HB   ALA  14          2HB       ALA  14  -0.855  -3.766   2.486
  116   3HB   ALA  14          3HB       ALA  14   0.038  -2.769   3.635
  117    H    PHE  15           H        PHE  15  -2.029  -2.671   1.291
  118    HA   PHE  15           HA       PHE  15  -2.122  -3.971  -1.251
  119   1HB   PHE  15          2HB       PHE  15  -3.940  -3.931   0.430
  120   2HB   PHE  15          1HB       PHE  15  -4.156  -2.202   0.153
  121    HD1  PHE  15           1HD      PHE  15  -3.642  -5.126  -2.155
  122    HD2  PHE  15           2HD      PHE  15  -6.136  -1.816  -1.021
  123    HE1  PHE  15           1HE      PHE  15  -5.149  -5.606  -4.064
  124    HE2  PHE  15           2HE      PHE  15  -7.644  -2.299  -2.930
  125    HZ   PHE  15           HZ       PHE  15  -7.149  -4.195  -4.452
  126    H    PHE  16           H        PHE  16  -1.790  -0.582  -0.394
  127    HA   PHE  16           HA       PHE  16  -2.650   0.496  -2.946
  128   1HB   PHE  16          2HB       PHE  16  -2.366   1.564  -0.560
  129   2HB   PHE  16          1HB       PHE  16  -0.698   1.823  -1.072
  130    HD1  PHE  16           1HD      PHE  16  -0.171   3.290  -2.976
  131    HD2  PHE  16           2HD      PHE  16  -4.208   2.755  -1.609
  132    HE1  PHE  16           1HE      PHE  16  -0.878   5.277  -4.284
  133    HE2  PHE  16           2HE      PHE  16  -4.915   4.741  -2.917
  134    HZ   PHE  16           HZ       PHE  16  -3.250   6.002  -4.254
  135    H    LEU  17           H        LEU  17   0.427  -0.661  -1.656
  136    HA   LEU  17           HA       LEU  17   2.110   0.388  -3.775
  137   1HB   LEU  17          2HB       LEU  17   2.250  -1.767  -1.675
  138   2HB   LEU  17          1HB       LEU  17   3.487  -1.725  -2.926
  139    HG   LEU  17           HG       LEU  17   4.198  -0.454  -0.931
  140   1HD1  LEU  17          1HD1      LEU  17   4.719   0.256  -3.369
  141   2HD1  LEU  17          2HD1      LEU  17   5.020   1.428  -2.085
  142   3HD1  LEU  17          3HD1      LEU  17   3.571   1.563  -3.080
  143   1HD2  LEU  17          1HD2      LEU  17   3.010   1.552  -0.234
  144   2HD2  LEU  17          2HD2      LEU  17   1.880   0.197  -0.223
  145   3HD2  LEU  17          3HD2      LEU  17   1.846   1.362  -1.547
  146    H    PHE  18           H        PHE  18   1.377  -3.015  -3.183
  147    HA   PHE  18           HA       PHE  18   1.774  -4.280  -5.561
  148   1HB   PHE  18          2HB       PHE  18   0.860  -5.342  -3.564
  149   2HB   PHE  18          1HB       PHE  18  -0.665  -4.484  -3.764
  150    HD1  PHE  18           1HD      PHE  18  -2.349  -5.277  -5.263
  151    HD2  PHE  18           2HD      PHE  18   1.553  -7.075  -5.259
  152    HE1  PHE  18           1HE      PHE  18  -3.198  -7.121  -6.686
  153    HE2  PHE  18           2HE      PHE  18   0.705  -8.918  -6.684
  154    HZ   PHE  18           HZ       PHE  18  -1.674  -8.946  -7.395
  155    H    CYS  19           H        CYS  19  -1.419  -2.668  -4.912
  156    HA   CYS  19           HA       CYS  19  -2.364  -2.952  -7.592
  157   1HB   CYS  19          2HB       CYS  19  -3.729  -2.490  -5.557
  158   2HB   CYS  19          1HB       CYS  19  -3.034  -0.873  -5.490
  159    HG   CYS  19           HG       CYS  19  -4.403  -1.522  -8.163
  160    H    SER  20           H        SER  20  -0.649  -0.285  -5.979
  161    HA   SER  20           HA       SER  20  -0.776   1.634  -8.072
  162   1HB   SER  20          2HB       SER  20  -0.022   2.199  -5.850
  163   2HB   SER  20          1HB       SER  20   1.302   1.043  -5.946
  164    HG   SER  20           HG       SER  20   1.514   3.501  -6.496
  165    H    GLU  21           H        GLU  21   1.329  -1.193  -7.689
  166    HA   GLU  21           HA       GLU  21   2.993  -0.355  -9.990
  167   1HB   GLU  21          2HB       GLU  21   4.305  -2.360  -9.365
  168   2HB   GLU  21          1HB       GLU  21   4.028  -1.309  -7.977
  169   1HG   GLU  21          2HG       GLU  21   2.405  -2.751  -7.058
  170   2HG   GLU  21          1HG       GLU  21   2.161  -3.596  -8.586
  171    H    HIS  22           H        HIS  22   0.338  -2.596  -9.291
  172    HA   HIS  22           HA       HIS  22   0.690  -3.898 -11.950
  173   1HB   HIS  22          2HB       HIS  22  -0.989  -4.433  -9.486
  174   2HB   HIS  22          1HB       HIS  22  -1.145  -5.370 -10.972
  175    HD1  HIS  22           1HD      HIS  22   1.360  -6.305 -11.856
  176    HD2  HIS  22           2HD      HIS  22   0.866  -5.539  -7.789
  177    HE1  HIS  22           1HE      HIS  22   3.186  -7.587 -10.658
  178    H    ARG  23           H        ARG  23  -0.530  -1.064 -11.206
  179    HA   ARG  23           HA       ARG  23  -3.309  -1.308 -12.071
  180   1HB   ARG  23          2HB       ARG  23  -2.540   0.348 -10.422
  181   2HB   ARG  23          1HB       ARG  23  -1.497   1.085 -11.632
  182   1HG   ARG  23          2HG       ARG  23  -3.292   1.952 -12.852
  183   2HG   ARG  23          1HG       ARG  23  -4.427   0.770 -12.201
  184   1HD   ARG  23          2HD       ARG  23  -4.919   2.890 -11.135
  185   2HD   ARG  23          1HD       ARG  23  -4.096   1.886  -9.924
  186    HE   ARG  23           HE       ARG  23  -1.948   3.062 -10.786
  187   1HH1  ARG  23          1HH1      ARG  23  -4.381   4.523  -9.213
  188   2HH1  ARG  23          2HH1      ARG  23  -4.146   6.115  -9.851
  189   1HH2  ARG  23          1HH2      ARG  23  -1.944   5.088 -12.325
  190   2HH2  ARG  23          2HH2      ARG  23  -2.767   6.435 -11.614
  191    HA   PRO  24           HA       PRO  24  -1.600   0.702 -16.052
  192   1HB   PRO  24          2HB       PRO  24   1.077   0.563 -16.574
  193   2HB   PRO  24          1HB       PRO  24   0.328   1.923 -15.714
  194   1HG   PRO  24          2HG       PRO  24   1.876  -0.370 -14.644
  195   2HG   PRO  24          1HG       PRO  24   1.830   1.315 -14.107
  196   1HD   PRO  24          2HD       PRO  24   0.517  -0.750 -12.872
  197   2HD   PRO  24          1HD       PRO  24   0.050   0.957 -12.747
  198    H    LYS  25           H        LYS  25  -0.741  -2.326 -14.742
  199    HA   LYS  25           HA       LYS  25   0.028  -3.581 -17.300
  200   1HB   LYS  25          2HB       LYS  25   0.992  -4.135 -15.034
  201   2HB   LYS  25          1HB       LYS  25  -0.586  -4.784 -14.582
  202   1HG   LYS  25          2HG       LYS  25  -0.473  -6.458 -16.318
  203   2HG   LYS  25          1HG       LYS  25   0.986  -5.730 -16.992
  204   1HD   LYS  25          2HD       LYS  25   2.163  -6.199 -14.837
  205   2HD   LYS  25          1HD       LYS  25   0.718  -7.040 -14.270
  206   1HE   LYS  25          2HE       LYS  25   0.892  -8.591 -16.226
  207   2HE   LYS  25          1HE       LYS  25   2.413  -7.795 -16.678
  208   1HZ   LYS  25          1HZ       LYS  25   1.832  -9.057 -14.049
  209   2HZ   LYS  25          2HZ       LYS  25   3.278  -8.272 -14.470
  210   3HZ   LYS  25          3HZ       LYS  25   2.830  -9.712 -15.253
  211    H    ILE  26           H        ILE  26  -2.736  -3.514 -15.062
  212    HA   ILE  26           HA       ILE  26  -4.313  -5.469 -16.530
  213    HB   ILE  26           HB       ILE  26  -5.047  -3.342 -14.489
  214   1HG1  ILE  26          2HG1      ILE  26  -3.336  -4.928 -13.682
  215   2HG1  ILE  26          1HG1      ILE  26  -4.869  -5.195 -12.860
  216   1HG2  ILE  26          1HG2      ILE  26  -7.133  -3.968 -15.247
  217   2HG2  ILE  26          2HG2      ILE  26  -6.860  -5.268 -14.087
  218   3HG2  ILE  26          3HG2      ILE  26  -6.574  -5.545 -15.805
  219   1HD1  ILE  26          1HD1      ILE  26  -3.710  -6.823 -15.140
  220   2HD1  ILE  26          2HD1      ILE  26  -5.358  -7.017 -14.543
  221   3HD1  ILE  26          3HD1      ILE  26  -3.991  -7.358 -13.483
  222    H    LYS  27           H        LYS  27  -3.769  -2.028 -16.820
  223    HA   LYS  27           HA       LYS  27  -6.199  -1.419 -18.321
  224   1HB   LYS  27          2HB       LYS  27  -3.534  -0.041 -17.879
  225   2HB   LYS  27          1HB       LYS  27  -4.863   0.697 -18.772
  226   1HG   LYS  27          2HG       LYS  27  -6.325   0.307 -16.748
  227   2HG   LYS  27          1HG       LYS  27  -4.872  -0.176 -15.873
  228   1HD   LYS  27          2HD       LYS  27  -3.994   1.965 -15.869
  229   2HD   LYS  27          1HD       LYS  27  -4.832   2.424 -17.351
  230   1HE   LYS  27          2HE       LYS  27  -6.843   2.871 -16.233
  231   2HE   LYS  27          1HE       LYS  27  -6.422   1.828 -14.860
  232   1HZ   LYS  27          1HZ       LYS  27  -4.616   3.348 -14.312
  233   2HZ   LYS  27          2HZ       LYS  27  -6.110   4.156 -14.286
  234   3HZ   LYS  27          3HZ       LYS  27  -5.053   4.361 -15.601
  235    H    SER  28           H        SER  28  -3.062  -2.751 -19.110
  236    HA   SER  28           HA       SER  28  -3.054  -2.034 -21.931
  237   1HB   SER  28          2HB       SER  28  -1.081  -2.659 -20.462
  238   2HB   SER  28          1HB       SER  28  -1.663  -4.320 -20.498
  239    HG   SER  28           HG       SER  28  -1.064  -4.493 -22.531
  240    H    GLU  29           H        GLU  29  -3.816  -5.022 -20.132
  241    HA   GLU  29           HA       GLU  29  -4.851  -6.371 -22.534
  242   1HB   GLU  29          2HB       GLU  29  -4.681  -7.020 -19.580
  243   2HB   GLU  29          1HB       GLU  29  -5.376  -8.130 -20.762
  244   1HG   GLU  29          2HG       GLU  29  -3.168  -7.818 -22.069
  245   2HG   GLU  29          1HG       GLU  29  -2.532  -7.140 -20.569
  246    H    HIS  30           H        HIS  30  -6.139  -3.960 -20.679
  247    HA   HIS  30           HA       HIS  30  -8.906  -4.696 -21.401
  248   1HB   HIS  30          2HB       HIS  30  -8.029  -4.100 -18.552
  249   2HB   HIS  30          1HB       HIS  30  -9.693  -4.319 -19.078
  250    HD1  HIS  30           1HD      HIS  30 -10.514  -6.707 -19.508
  251    HD2  HIS  30           2HD      HIS  30  -6.466  -6.512 -18.561
  252    HE1  HIS  30           1HE      HIS  30  -9.772  -9.088 -19.062
  253    HA   PRO  31           HA       PRO  31  -7.839  -0.244 -21.929
  254   1HB   PRO  31          2HB       PRO  31  -9.361   0.090 -24.190
  255   2HB   PRO  31          1HB       PRO  31  -7.690  -0.505 -24.227
  256   1HG   PRO  31          2HG       PRO  31 -10.245  -2.042 -24.357
  257   2HG   PRO  31          1HG       PRO  31  -8.752  -2.259 -25.287
  258   1HD   PRO  31          2HD       PRO  31  -9.372  -3.835 -23.181
  259   2HD   PRO  31          1HD       PRO  31  -7.695  -3.402 -23.582
  260    H    GLY  32           H        GLY  32  -9.030   1.110 -20.651
  261   1HA   GLY  32          2HA       GLY  32 -11.028   2.384 -20.159
  262   2HA   GLY  32          1HA       GLY  32 -11.991   1.105 -20.897
  263    H    LEU  33           H        LEU  33 -10.133  -0.831 -19.269
  264    HA   LEU  33           HA       LEU  33 -11.878  -1.579 -17.227
  265   1HB   LEU  33          2HB       LEU  33  -9.640  -2.551 -18.226
  266   2HB   LEU  33          1HB       LEU  33  -8.898  -1.736 -16.857
  267    HG   LEU  33           HG       LEU  33  -9.422  -4.084 -16.320
  268   1HD1  LEU  33          1HD1      LEU  33 -10.462  -3.684 -14.219
  269   2HD1  LEU  33          2HD1      LEU  33 -11.346  -2.289 -14.835
  270   3HD1  LEU  33          3HD1      LEU  33  -9.599  -2.199 -14.613
  271   1HD2  LEU  33          1HD2      LEU  33 -11.514  -3.978 -17.908
  272   2HD2  LEU  33          2HD2      LEU  33 -12.356  -3.435 -16.457
  273   3HD2  LEU  33          3HD2      LEU  33 -11.563  -5.010 -16.480
  274    H    SER  34           H        SER  34 -12.703   0.004 -15.872
  275    HA   SER  34           HA       SER  34 -11.374   2.231 -14.733
  276   1HB   SER  34          2HB       SER  34 -13.219   1.955 -12.973
  277   2HB   SER  34          1HB       SER  34 -13.757   2.033 -14.649
  278    HG   SER  34           HG       SER  34 -14.675   0.286 -13.398
  279    H    ILE  35           H        ILE  35 -11.303   2.249 -12.077
  280    HA   ILE  35           HA       ILE  35  -9.135   0.344 -11.395
  281    HB   ILE  35           HB       ILE  35 -10.326   2.734  -9.942
  282   1HG1  ILE  35          2HG1      ILE  35  -7.757   2.561 -11.545
  283   2HG1  ILE  35          1HG1      ILE  35  -9.270   3.184 -12.205
  284   1HG2  ILE  35          1HG2      ILE  35  -9.166   1.561  -8.284
  285   2HG2  ILE  35          2HG2      ILE  35  -7.908   2.621  -8.921
  286   3HG2  ILE  35          3HG2      ILE  35  -7.976   0.932  -9.423
  287   1HD1  ILE  35          1HD1      ILE  35  -9.339   4.945 -10.537
  288   2HD1  ILE  35          2HD1      ILE  35  -7.757   4.980 -11.316
  289   3HD1  ILE  35          3HD1      ILE  35  -7.934   4.271  -9.711
  290    H    GLY  36           H        GLY  36 -12.263  -0.207 -11.408
  291   1HA   GLY  36          2HA       GLY  36 -12.532  -1.097  -8.581
  292   2HA   GLY  36          1HA       GLY  36 -13.855  -0.981  -9.744
  293    H    ASP  37           H        ASP  37 -13.049  -2.372 -11.888
  294    HA   ASP  37           HA       ASP  37 -13.336  -5.117 -11.128
  295   1HB   ASP  37          2HB       ASP  37 -12.378  -3.760 -13.663
  296   2HB   ASP  37          1HB       ASP  37 -12.780  -5.473 -13.563
  297    H    THR  38           H        THR  38 -10.444  -3.322 -12.289
  298    HA   THR  38           HA       THR  38  -8.651  -5.566 -12.052
  299    HB   THR  38           HB       THR  38  -8.245  -3.571 -13.456
  300    HG1  THR  38           1HG      THR  38  -6.077  -3.227 -12.748
  301   1HG2  THR  38          1HG2      THR  38  -8.050  -2.155 -10.789
  302   2HG2  THR  38          2HG2      THR  38  -9.180  -1.812 -12.098
  303   3HG2  THR  38          3HG2      THR  38  -7.463  -1.472 -12.303
  304    H    ALA  39           H        ALA  39  -9.773  -3.104  -9.812
  305    HA   ALA  39           HA       ALA  39  -7.817  -3.571  -7.725
  306   1HB   ALA  39          1HB       ALA  39  -9.666  -2.414  -6.364
  307   2HB   ALA  39          2HB       ALA  39 -10.596  -2.372  -7.861
  308   3HB   ALA  39          3HB       ALA  39  -9.055  -1.519  -7.756
  309    H    LYS  40           H        LYS  40 -10.822  -5.092  -8.693
  310    HA   LYS  40           HA       LYS  40 -11.222  -6.614  -6.231
  311   1HB   LYS  40          2HB       LYS  40 -12.344  -6.513  -9.020
  312   2HB   LYS  40          1HB       LYS  40 -12.719  -7.904  -8.002
  313   1HG   LYS  40          2HG       LYS  40 -13.409  -6.224  -6.202
  314   2HG   LYS  40          1HG       LYS  40 -13.333  -4.993  -7.463
  315   1HD   LYS  40          2HD       LYS  40 -15.579  -5.650  -7.554
  316   2HD   LYS  40          1HD       LYS  40 -14.848  -6.648  -8.811
  317   1HE   LYS  40          2HE       LYS  40 -14.752  -8.567  -7.344
  318   2HE   LYS  40          1HE       LYS  40 -15.232  -7.583  -5.947
  319   1HZ   LYS  40          1HZ       LYS  40 -17.136  -8.745  -6.932
  320   2HZ   LYS  40          2HZ       LYS  40 -16.850  -7.960  -8.412
  321   3HZ   LYS  40          3HZ       LYS  40 -17.305  -7.061  -7.044
  322    H    LYS  41           H        LYS  41  -9.784  -7.148  -9.421
  323    HA   LYS  41           HA       LYS  41  -9.123  -9.948  -9.004
  324   1HB   LYS  41          2HB       LYS  41  -9.333  -8.494 -11.168
  325   2HB   LYS  41          1HB       LYS  41  -7.666  -8.030 -10.826
  326   1HG   LYS  41          2HG       LYS  41  -6.878 -10.245 -11.050
  327   2HG   LYS  41          1HG       LYS  41  -8.495 -10.929 -10.882
  328   1HD   LYS  41          2HD       LYS  41  -9.151 -10.134 -13.048
  329   2HD   LYS  41          1HD       LYS  41  -7.696  -9.147 -13.194
  330   1HE   LYS  41          2HE       LYS  41  -6.295 -11.163 -13.261
  331   2HE   LYS  41          1HE       LYS  41  -7.729 -12.185 -13.041
  332   1HZ   LYS  41          1HZ       LYS  41  -8.680 -11.251 -15.044
  333   2HZ   LYS  41          2HZ       LYS  41  -7.162 -11.928 -15.395
  334   3HZ   LYS  41          3HZ       LYS  41  -7.332 -10.243 -15.257
  335    H    LEU  42           H        LEU  42  -7.135  -6.970  -9.022
  336    HA   LEU  42           HA       LEU  42  -4.649  -7.930  -8.217
  337   1HB   LEU  42          2HB       LEU  42  -6.234  -5.449  -7.967
  338   2HB   LEU  42          1HB       LEU  42  -4.890  -5.575  -6.835
  339    HG   LEU  42           HG       LEU  42  -3.361  -6.056  -8.730
  340   1HD1  LEU  42          1HD1      LEU  42  -4.078  -5.997 -10.982
  341   2HD1  LEU  42          2HD1      LEU  42  -5.620  -5.252 -10.562
  342   3HD1  LEU  42          3HD1      LEU  42  -5.323  -6.946 -10.173
  343   1HD2  LEU  42          1HD2      LEU  42  -3.104  -3.821  -9.251
  344   2HD2  LEU  42          2HD2      LEU  42  -4.194  -3.682  -7.872
  345   3HD2  LEU  42          3HD2      LEU  42  -4.831  -3.576  -9.514
  346    H    GLY  43           H        GLY  43  -7.121  -6.691  -5.919
  347   1HA   GLY  43          2HA       GLY  43  -5.843  -7.386  -3.519
  348   2HA   GLY  43          1HA       GLY  43  -7.600  -7.326  -3.700
  349    H    GLU  44           H        GLU  44  -7.501  -9.454  -5.807
  350    HA   GLU  44           HA       GLU  44  -7.758 -11.773  -4.074
  351   1HB   GLU  44          2HB       GLU  44  -8.886 -11.125  -6.359
  352   2HB   GLU  44          1HB       GLU  44  -7.441 -11.841  -7.075
  353   1HG   GLU  44          2HG       GLU  44  -7.864 -13.944  -5.879
  354   2HG   GLU  44          1HG       GLU  44  -9.287 -13.235  -5.113
  355    H    MET  45           H        MET  45  -5.338 -10.572  -6.390
  356    HA   MET  45           HA       MET  45  -3.560 -12.869  -6.058
  357   1HB   MET  45          2HB       MET  45  -3.478 -10.164  -7.398
  358   2HB   MET  45          1HB       MET  45  -2.035 -11.175  -7.326
  359   1HG   MET  45          2HG       MET  45  -3.258 -13.014  -8.420
  360   2HG   MET  45          1HG       MET  45  -4.710 -12.016  -8.482
  361   1HE   MET  45          1HE       MET  45  -4.191 -12.848 -11.439
  362   2HE   MET  45          2HE       MET  45  -4.522 -11.193 -11.940
  363   3HE   MET  45          3HE       MET  45  -5.330 -11.853 -10.521
  364    H    TRP  46           H        TRP  46  -3.679  -9.489  -4.888
  365    HA   TRP  46           HA       TRP  46  -1.217  -9.300  -3.525
  366   1HB   TRP  46          2HB       TRP  46  -2.772  -7.453  -3.812
  367   2HB   TRP  46          1HB       TRP  46  -3.988  -8.254  -2.828
  368    HD1  TRP  46           HD       TRP  46  -4.089  -7.186  -0.519
  369    HE1  TRP  46           1HE      TRP  46  -2.385  -6.199   1.144
  370    HE3  TRP  46           3HE      TRP  46   0.186  -7.793  -3.205
  371    HZ2  TRP  46           2HZ      TRP  46   0.437  -5.732   1.304
  372    HZ3  TRP  46           3HZ      TRP  46   2.373  -7.075  -2.287
  373    HH2  TRP  46           HH       TRP  46   2.500  -6.049  -0.039
  374    H    SER  47           H        SER  47  -4.303 -10.673  -2.332
  375    HA   SER  47           HA       SER  47  -3.314 -11.408   0.276
  376   1HB   SER  47          2HB       SER  47  -5.707 -11.124  -0.453
  377   2HB   SER  47          1HB       SER  47  -5.556 -12.616  -1.378
  378    HG   SER  47           HG       SER  47  -6.247 -12.435   1.092
  379    H    GLU  48           H        GLU  48  -2.548 -12.673  -2.803
  380    HA   GLU  48           HA       GLU  48  -1.934 -15.375  -1.726
  381   1HB   GLU  48          2HB       GLU  48  -2.458 -14.170  -4.444
  382   2HB   GLU  48          1HB       GLU  48  -1.691 -15.750  -4.284
  383   1HG   GLU  48          2HG       GLU  48  -3.651 -16.400  -2.777
  384   2HG   GLU  48          1HG       GLU  48  -4.439 -14.924  -3.333
  385    H    GLN  49           H        GLN  49  -0.466 -12.357  -2.577
  386    HA   GLN  49           HA       GLN  49   2.019 -13.252  -3.663
  387   1HB   GLN  49          2HB       GLN  49   1.300 -10.867  -1.916
  388   2HB   GLN  49          1HB       GLN  49   2.787 -11.012  -2.851
  389   1HG   GLN  49          2HG       GLN  49  -0.009 -11.048  -4.017
  390   2HG   GLN  49          1HG       GLN  49   1.078  -9.663  -4.038
  391   1HE2  GLN  49          1HE2      GLN  49   0.021 -11.165  -6.390
  392   2HE2  GLN  49          2HE2      GLN  49   1.384 -11.749  -7.218
  393    H    SER  50           H        SER  50   3.933 -13.843  -2.619
  394    HA   SER  50           HA       SER  50   3.678 -14.744   0.196
  395   1HB   SER  50          2HB       SER  50   5.688 -16.028  -0.370
  396   2HB   SER  50          1HB       SER  50   4.513 -16.217  -1.668
  397    HG   SER  50           HG       SER  50   5.749 -15.074  -2.964
  398    H    ALA  51           H        ALA  51   6.625 -14.524   0.586
  399    HA   ALA  51           HA       ALA  51   6.690 -11.786   1.604
  400   1HB   ALA  51          1HB       ALA  51   8.578 -14.147   1.515
  401   2HB   ALA  51          2HB       ALA  51   7.732 -13.478   2.910
  402   3HB   ALA  51          3HB       ALA  51   9.080 -12.598   2.190
  403    H    LYS  52           H        LYS  52   7.437 -13.173  -1.451
  404    HA   LYS  52           HA       LYS  52   9.692 -11.469  -2.154
  405   1HB   LYS  52          2HB       LYS  52   8.931 -13.746  -3.112
  406   2HB   LYS  52          1HB       LYS  52   7.739 -12.820  -4.026
  407   1HG   LYS  52          2HG       LYS  52   9.544 -12.909  -5.516
  408   2HG   LYS  52          1HG       LYS  52   9.788 -11.352  -4.723
  409   1HD   LYS  52          2HD       LYS  52  11.509 -12.194  -3.338
  410   2HD   LYS  52          1HD       LYS  52  11.054 -13.870  -3.646
  411   1HE   LYS  52          2HE       LYS  52  11.617 -13.284  -6.149
  412   2HE   LYS  52          1HE       LYS  52  12.563 -11.968  -5.424
  413   1HZ   LYS  52          1HZ       LYS  52  12.732 -14.835  -4.653
  414   2HZ   LYS  52          2HZ       LYS  52  13.638 -13.567  -3.977
  415   3HZ   LYS  52          3HZ       LYS  52  13.872 -14.011  -5.600
  416    H    ASP  53           H        ASP  53   6.181 -11.414  -2.845
  417    HA   ASP  53           HA       ASP  53   6.478  -8.559  -3.733
  418   1HB   ASP  53          2HB       ASP  53   5.043 -10.940  -4.750
  419   2HB   ASP  53          1HB       ASP  53   4.103  -9.448  -4.755
  420    H    LYS  54           H        LYS  54   6.268  -8.761  -1.094
  421    HA   LYS  54           HA       LYS  54   3.703  -7.573  -0.454
  422   1HB   LYS  54          2HB       LYS  54   3.704 -10.278  -0.598
  423   2HB   LYS  54          1HB       LYS  54   4.128 -10.054   1.091
  424   1HG   LYS  54          2HG       LYS  54   2.138  -8.408   1.176
  425   2HG   LYS  54          1HG       LYS  54   1.666  -9.088  -0.375
  426   1HD   LYS  54          2HD       LYS  54   0.463 -10.328   1.263
  427   2HD   LYS  54          1HD       LYS  54   1.778 -11.377   0.732
  428   1HE   LYS  54          2HE       LYS  54   2.021 -11.577   3.043
  429   2HE   LYS  54          1HE       LYS  54   3.052 -10.159   2.763
  430   1HZ   LYS  54          1HZ       LYS  54   1.135  -8.732   3.126
  431   2HZ   LYS  54          2HZ       LYS  54   1.405  -9.713   4.488
  432   3HZ   LYS  54          3HZ       LYS  54   0.150 -10.083   3.405
  433    H    GLN  55           H        GLN  55   6.764  -8.952   0.689
  434    HA   GLN  55           HA       GLN  55   6.601  -7.799   3.356
  435   1HB   GLN  55          2HB       GLN  55   8.595  -9.228   1.650
  436   2HB   GLN  55          1HB       GLN  55   9.188  -8.370   3.069
  437   1HG   GLN  55          2HG       GLN  55   6.888 -10.335   3.168
  438   2HG   GLN  55          1HG       GLN  55   8.562 -10.797   3.473
  439   1HE2  GLN  55          1HE2      GLN  55   5.787  -9.891   5.078
  440   2HE2  GLN  55          2HE2      GLN  55   6.480  -9.225   6.477
  441    HA   PRO  56           HA       PRO  56   9.611  -4.545   1.578
  442   1HB   PRO  56          2HB       PRO  56   9.878  -4.315  -1.134
  443   2HB   PRO  56          1HB       PRO  56  10.913  -5.363  -0.144
  444   1HG   PRO  56          2HG       PRO  56   8.590  -6.070  -1.854
  445   2HG   PRO  56          1HG       PRO  56  10.098  -6.951  -1.577
  446   1HD   PRO  56          2HD       PRO  56   7.720  -7.584  -0.402
  447   2HD   PRO  56          1HD       PRO  56   9.304  -7.976   0.297
  448    H    TYR  57           H        TYR  57   6.489  -5.252   0.326
  449    HA   TYR  57           HA       TYR  57   5.977  -2.533  -0.702
  450   1HB   TYR  57          2HB       TYR  57   4.426  -5.110  -0.400
  451   2HB   TYR  57          1HB       TYR  57   3.637  -3.619  -0.919
  452    HD1  TYR  57           1HD      TYR  57   5.388  -2.276  -2.681
  453    HD2  TYR  57           2HD      TYR  57   4.889  -6.513  -2.194
  454    HE1  TYR  57           1HE      TYR  57   6.226  -2.638  -4.986
  455    HE2  TYR  57           2HE      TYR  57   5.727  -6.877  -4.500
  456    HH   TYR  57           HH       TYR  57   7.419  -4.718  -6.199
  457    H    GLU  58           H        GLU  58   5.269  -4.500   2.161
  458    HA   GLU  58           HA       GLU  58   3.446  -2.527   3.326
  459   1HB   GLU  58          2HB       GLU  58   3.592  -4.061   5.288
  460   2HB   GLU  58          1HB       GLU  58   3.226  -4.913   3.792
  461   1HG   GLU  58          2HG       GLU  58   5.185  -6.064   3.825
  462   2HG   GLU  58          1HG       GLU  58   6.105  -4.653   4.337
  463    H    GLN  59           H        GLN  59   6.908  -3.036   3.284
  464    HA   GLN  59           HA       GLN  59   7.373  -1.316   5.648
  465   1HB   GLN  59          2HB       GLN  59   9.205  -2.666   3.639
  466   2HB   GLN  59          1HB       GLN  59   9.742  -1.858   5.110
  467   1HG   GLN  59          2HG       GLN  59   8.300  -3.436   6.430
  468   2HG   GLN  59          1HG       GLN  59   7.963  -4.305   4.933
  469   1HE2  GLN  59          1HE2      GLN  59   9.798  -5.413   3.870
  470   2HE2  GLN  59          2HE2      GLN  59  11.197  -5.795   4.752
  471    H    LYS  60           H        LYS  60   6.876  -0.957   2.273
  472    HA   LYS  60           HA       LYS  60   8.494   1.512   2.016
  473   1HB   LYS  60          2HB       LYS  60   8.061  -0.431   0.287
  474   2HB   LYS  60          1HB       LYS  60   6.541   0.416   0.000
  475   1HG   LYS  60          2HG       LYS  60   9.017   2.072   0.045
  476   2HG   LYS  60          1HG       LYS  60   8.787   1.016  -1.349
  477   1HD   LYS  60          2HD       LYS  60   6.909   2.144  -2.074
  478   2HD   LYS  60          1HD       LYS  60   6.452   2.642  -0.444
  479   1HE   LYS  60          2HE       LYS  60   7.209   4.652  -1.475
  480   2HE   LYS  60          1HE       LYS  60   8.611   4.109  -0.529
  481   1HZ   LYS  60          1HZ       LYS  60   9.482   2.993  -2.455
  482   2HZ   LYS  60          2HZ       LYS  60   9.186   4.617  -2.858
  483   3HZ   LYS  60          3HZ       LYS  60   8.116   3.401  -3.373
  484    H    ALA  61           H        ALA  61   5.168   0.398   2.351
  485    HA   ALA  61           HA       ALA  61   4.019   3.096   2.020
  486   1HB   ALA  61          1HB       ALA  61   3.155   0.559   1.535
  487   2HB   ALA  61          2HB       ALA  61   2.057   1.910   1.811
  488   3HB   ALA  61          3HB       ALA  61   2.462   0.820   3.136
  489    H    ALA  62           H        ALA  62   4.944   0.837   4.567
  490    HA   ALA  62           HA       ALA  62   3.564   1.993   6.784
  491   1HB   ALA  62          1HB       ALA  62   6.186   0.509   6.452
  492   2HB   ALA  62          2HB       ALA  62   4.636  -0.142   6.986
  493   3HB   ALA  62          3HB       ALA  62   5.547   0.940   8.039
  494    H    LYS  63           H        LYS  63   7.035   2.540   5.841
  495    HA   LYS  63           HA       LYS  63   7.363   4.786   7.604
  496   1HB   LYS  63          2HB       LYS  63   8.996   3.173   6.230
  497   2HB   LYS  63          1HB       LYS  63   8.919   4.493   5.064
  498   1HG   LYS  63          2HG       LYS  63   9.723   6.079   6.685
  499   2HG   LYS  63          1HG       LYS  63   9.562   4.908   7.993
  500   1HD   LYS  63          2HD       LYS  63  11.272   3.477   6.894
  501   2HD   LYS  63          1HD       LYS  63  11.467   4.704   5.642
  502   1HE   LYS  63          2HE       LYS  63  13.195   5.255   7.144
  503   2HE   LYS  63          1HE       LYS  63  11.883   6.315   7.697
  504   1HZ   LYS  63          1HZ       LYS  63  12.866   4.997   9.519
  505   2HZ   LYS  63          2HZ       LYS  63  12.386   3.573   8.727
  506   3HZ   LYS  63          3HZ       LYS  63  11.217   4.668   9.293
  507    H    LEU  64           H        LEU  64   5.717   4.491   4.581
  508    HA   LEU  64           HA       LEU  64   6.083   7.284   3.742
  509   1HB   LEU  64          2HB       LEU  64   4.905   4.775   2.769
  510   2HB   LEU  64          1HB       LEU  64   3.899   6.176   2.404
  511    HG   LEU  64           HG       LEU  64   6.868   6.062   1.814
  512   1HD1  LEU  64          1HD1      LEU  64   6.163   4.510   0.269
  513   2HD1  LEU  64          2HD1      LEU  64   5.727   5.969  -0.620
  514   3HD1  LEU  64          3HD1      LEU  64   4.498   5.091   0.290
  515   1HD2  LEU  64          1HD2      LEU  64   6.328   7.992   0.369
  516   2HD2  LEU  64          2HD2      LEU  64   5.873   8.316   2.042
  517   3HD2  LEU  64          3HD2      LEU  64   4.638   7.888   0.860
  518    H    LYS  65           H        LYS  65   3.724   5.301   5.455
  519    HA   LYS  65           HA       LYS  65   1.593   7.238   5.600
  520   1HB   LYS  65          2HB       LYS  65   1.291   4.842   6.003
  521   2HB   LYS  65          1HB       LYS  65   2.420   4.889   7.357
  522   1HG   LYS  65          2HG       LYS  65   0.918   6.081   8.723
  523   2HG   LYS  65          1HG       LYS  65  -0.029   6.649   7.346
  524   1HD   LYS  65          2HD       LYS  65  -1.376   4.949   8.276
  525   2HD   LYS  65          1HD       LYS  65  -0.554   4.142   6.940
  526   1HE   LYS  65          2HE       LYS  65   1.175   3.310   8.548
  527   2HE   LYS  65          1HE       LYS  65   0.235   4.026   9.872
  528   1HZ   LYS  65          1HZ       LYS  65  -0.789   2.054   7.896
  529   2HZ   LYS  65          2HZ       LYS  65  -1.688   2.751   9.159
  530   3HZ   LYS  65          3HZ       LYS  65  -0.391   1.709   9.508
  531    H    GLU  66           H        GLU  66   4.233   6.367   7.835
  532    HA   GLU  66           HA       GLU  66   3.684   8.199   9.932
  533   1HB   GLU  66          2HB       GLU  66   5.359   6.296   9.836
  534   2HB   GLU  66          1HB       GLU  66   6.408   7.358   8.896
  535   1HG   GLU  66          2HG       GLU  66   7.185   7.742  11.061
  536   2HG   GLU  66          1HG       GLU  66   6.006   9.041  10.876
  537    H    LYS  67           H        LYS  67   5.316   8.687   6.829
  538    HA   LYS  67           HA       LYS  67   6.417  11.296   7.371
  539   1HB   LYS  67          2HB       LYS  67   6.918   9.606   5.494
  540   2HB   LYS  67          1HB       LYS  67   5.471  10.231   4.701
  541   1HG   LYS  67          2HG       LYS  67   6.535  12.568   5.069
  542   2HG   LYS  67          1HG       LYS  67   8.034  11.681   5.341
  543   1HD   LYS  67          2HD       LYS  67   7.785  10.586   3.140
  544   2HD   LYS  67          1HD       LYS  67   6.294  11.488   2.864
  545   1HE   LYS  67          2HE       LYS  67   7.916  12.804   1.754
  546   2HE   LYS  67          1HE       LYS  67   7.799  13.596   3.339
  547   1HZ   LYS  67          1HZ       LYS  67   9.620  12.234   4.131
  548   2HZ   LYS  67          2HZ       LYS  67  10.110  13.102   2.754
  549   3HZ   LYS  67          3HZ       LYS  67   9.731  11.450   2.632
  550    H    TYR  68           H        TYR  68   3.250  10.159   6.355
  551    HA   TYR  68           HA       TYR  68   2.144  12.647   5.414
  552   1HB   TYR  68          2HB       TYR  68   1.298  10.262   5.140
  553   2HB   TYR  68          1HB       TYR  68   0.753  10.338   6.812
  554    HD1  TYR  68           1HD      TYR  68   0.654  12.752   3.930
  555    HD2  TYR  68           2HD      TYR  68  -1.547  10.603   6.927
  556    HE1  TYR  68           1HE      TYR  68  -1.440  13.854   3.187
  557    HE2  TYR  68           2HE      TYR  68  -3.640  11.706   6.184
  558    HH   TYR  68           HH       TYR  68  -4.375  12.810   3.768
  559    H    GLU  69           H        GLU  69   2.435  11.149   8.583
  560    HA   GLU  69           HA       GLU  69   0.720  12.815  10.114
  561   1HB   GLU  69          2HB       GLU  69   3.341  11.455  10.821
  562   2HB   GLU  69          1HB       GLU  69   2.162  12.039  11.996
  563   1HG   GLU  69          2HG       GLU  69   0.518  10.554  10.480
  564   2HG   GLU  69          1HG       GLU  69   2.019   9.680  10.179
  565    H    LYS  70           H        LYS  70   4.193  13.243   9.305
  566    HA   LYS  70           HA       LYS  70   4.361  15.791  10.744
  567   1HB   LYS  70          2HB       LYS  70   6.138  14.140   8.937
  568   2HB   LYS  70          1HB       LYS  70   6.633  15.740   9.489
  569   1HG   LYS  70          2HG       LYS  70   7.531  14.407  11.169
  570   2HG   LYS  70          1HG       LYS  70   5.954  14.793  11.860
  571   1HD   LYS  70          2HD       LYS  70   5.045  12.681  11.216
  572   2HD   LYS  70          1HD       LYS  70   6.421  12.330  10.169
  573   1HE   LYS  70          2HE       LYS  70   6.936  11.067  12.087
  574   2HE   LYS  70          1HE       LYS  70   7.806  12.580  12.412
  575   1HZ   LYS  70          1HZ       LYS  70   5.856  13.408  13.580
  576   2HZ   LYS  70          2HZ       LYS  70   6.410  11.970  14.295
  577   3HZ   LYS  70          3HZ       LYS  70   5.037  11.951  13.293
  578    H    ASP  71           H        ASP  71   4.112  14.668   7.392
  579    HA   ASP  71           HA       ASP  71   4.383  17.172   6.041
  580   1HB   ASP  71          2HB       ASP  71   3.331  14.451   5.563
  581   2HB   ASP  71          1HB       ASP  71   2.598  15.689   4.551
  582    H    ILE  72           H        ILE  72   1.437  15.420   7.028
  583    HA   ILE  72           HA       ILE  72  -0.419  17.501   6.382
  584    HB   ILE  72           HB       ILE  72  -0.406  15.135   8.276
  585   1HG1  ILE  72          2HG1      ILE  72  -0.386  14.689   5.854
  586   2HG1  ILE  72          1HG1      ILE  72  -1.908  14.181   6.581
  587   1HG2  ILE  72          1HG2      ILE  72  -2.604  17.152   7.797
  588   2HG2  ILE  72          2HG2      ILE  72  -2.036  16.490   9.329
  589   3HG2  ILE  72          3HG2      ILE  72  -2.979  15.483   8.231
  590   1HD1  ILE  72          1HD1      ILE  72  -2.827  16.481   5.887
  591   2HD1  ILE  72          2HD1      ILE  72  -2.526  15.332   4.585
  592   3HD1  ILE  72          3HD1      ILE  72  -1.382  16.635   4.890
  593    H    ALA  73           H        ALA  73   1.508  16.868   9.290
  594    HA   ALA  73           HA       ALA  73   0.263  18.637  11.127
  595   1HB   ALA  73          1HB       ALA  73   2.433  18.560  12.261
  596   2HB   ALA  73          2HB       ALA  73   3.219  18.040  10.771
  597   3HB   ALA  73          3HB       ALA  73   2.073  16.973  11.583
  598    H    ALA  74           H        ALA  74   2.922  19.322   8.825
  599    HA   ALA  74           HA       ALA  74   3.202  22.106   9.473
  600   1HB   ALA  74          1HB       ALA  74   3.808  20.495   6.973
  601   2HB   ALA  74          2HB       ALA  74   4.910  20.806   8.313
  602   3HB   ALA  74          3HB       ALA  74   4.399  22.129   7.266
  603    H    TYR  75           H        TYR  75   0.845  20.388   7.579
  604    HA   TYR  75           HA       TYR  75  -0.114  22.922   6.316
  605   1HB   TYR  75          2HB       TYR  75   0.430  20.844   4.972
  606   2HB   TYR  75          1HB       TYR  75  -0.913  20.043   5.788
  607    HD1  TYR  75           1HD      TYR  75  -0.020  22.953   3.637
  608    HD2  TYR  75           2HD      TYR  75  -3.160  20.416   5.104
  609    HE1  TYR  75           1HE      TYR  75  -1.602  23.980   2.027
  610    HE2  TYR  75           2HE      TYR  75  -4.743  21.442   3.493
  611    HH   TYR  75           HH       TYR  75  -4.158  24.297   1.911
  612    H    ARG  76           H        ARG  76  -0.712  20.893   8.970
  613    HA   ARG  76           HA       ARG  76  -3.598  20.906   9.076
  614   1HB   ARG  76          2HB       ARG  76  -1.659  19.619  10.387
  615   2HB   ARG  76          1HB       ARG  76  -1.902  20.931  11.541
  616   1HG   ARG  76          2HG       ARG  76  -4.349  20.407  11.549
  617   2HG   ARG  76          1HG       ARG  76  -4.019  19.020  10.511
  618   1HD   ARG  76          2HD       ARG  76  -3.914  17.975  12.585
  619   2HD   ARG  76          1HD       ARG  76  -2.225  18.505  12.454
  620    HE   ARG  76           HE       ARG  76  -4.341  19.898  14.024
  621   1HH1  ARG  76          1HH2      ARG  76  -1.388  18.647  14.488
  622   2HH1  ARG  76          2HH2      ARG  76  -0.598  20.098  15.004
  623   1HH2  ARG  76          1HH1      ARG  76  -3.199  22.175  14.033
  624   2HH2  ARG  76          2HH1      ARG  76  -1.623  22.096  14.747
  625    H    ALA  77           H        ALA  77  -1.261  22.821  11.014
  626    HA   ALA  77           HA       ALA  77  -3.378  24.884  11.429
  627   1HB   ALA  77          1HB       ALA  77  -0.692  24.415  12.766
  628   2HB   ALA  77          2HB       ALA  77  -2.238  23.818  13.368
  629   3HB   ALA  77          3HB       ALA  77  -1.928  25.554  13.303
  630    H    LYS  78           H        LYS  78  -2.968  25.637   9.128
  631    HA   LYS  78           HA       LYS  78  -0.981  27.813   9.126
  632   1HB   LYS  78          2HB       LYS  78   0.193  25.670   8.453
  633   2HB   LYS  78          1HB       LYS  78  -0.873  25.606   7.049
  634   1HG   LYS  78          2HG       LYS  78   0.027  27.586   6.126
  635   2HG   LYS  78          1HG       LYS  78   0.761  28.068   7.656
  636   1HD   LYS  78          2HD       LYS  78   2.210  25.983   7.481
  637   2HD   LYS  78          1HD       LYS  78   1.618  25.815   5.828
  638   1HE   LYS  78          2HE       LYS  78   2.559  27.946   5.188
  639   2HE   LYS  78          1HE       LYS  78   2.956  28.333   6.875
  640   1HZ   LYS  78          1HZ       LYS  78   4.007  26.012   5.343
  641   2HZ   LYS  78          2HZ       LYS  78   4.379  26.385   6.958
  642   3HZ   LYS  78          3HZ       LYS  78   4.880  27.419   5.708
  Start of MODEL    8
    1   1H    MET   1          1HT       MET   1 -10.839  10.285   1.288
    2   2H    MET   1          2HT       MET   1  -9.834  11.648   1.430
    3   3H    MET   1          3HT       MET   1 -10.799  11.441   0.047
    4    HA   MET   1           HA       MET   1 -12.813  11.674   1.409
    5   1HB   MET   1          2HB       MET   1 -10.623  11.787   3.475
    6   2HB   MET   1          1HB       MET   1 -12.181  12.548   3.798
    7   1HG   MET   1          2HG       MET   1 -13.321  10.404   3.322
    8   2HG   MET   1          1HG       MET   1 -11.756   9.645   3.032
    9   1HE   MET   1          1HE       MET   1 -10.311   8.736   6.184
   10   2HE   MET   1          2HE       MET   1  -9.697  10.068   5.208
   11   3HE   MET   1          3HE       MET   1 -10.423   8.669   4.421
   12    H    LYS   2           H        LYS   2  -9.893  13.612   2.185
   13    HA   LYS   2           HA       LYS   2 -11.112  15.934   0.756
   14   1HB   LYS   2          2HB       LYS   2 -10.386  15.640   3.654
   15   2HB   LYS   2          1HB       LYS   2 -10.204  17.219   2.890
   16   1HG   LYS   2          2HG       LYS   2 -12.514  17.338   2.338
   17   2HG   LYS   2          1HG       LYS   2 -12.758  15.621   2.663
   18   1HD   LYS   2          2HD       LYS   2 -12.658  15.913   4.986
   19   2HD   LYS   2          1HD       LYS   2 -11.797  17.446   4.853
   20   1HE   LYS   2          2HE       LYS   2 -13.738  18.648   4.359
   21   2HE   LYS   2          1HE       LYS   2 -14.575  17.223   3.714
   22   1HZ   LYS   2          1HZ       LYS   2 -14.614  16.268   5.923
   23   2HZ   LYS   2          2HZ       LYS   2 -15.365  17.791   5.946
   24   3HZ   LYS   2          3HZ       LYS   2 -13.790  17.609   6.555
   25    H    LYS   3           H        LYS   3  -9.531  17.429  -0.019
   26    HA   LYS   3           HA       LYS   3  -6.665  16.917   0.551
   27   1HB   LYS   3          2HB       LYS   3  -7.581  15.399  -1.317
   28   2HB   LYS   3          1HB       LYS   3  -7.738  16.871  -2.278
   29   1HG   LYS   3          2HG       LYS   3  -5.333  17.337  -1.956
   30   2HG   LYS   3          1HG       LYS   3  -5.176  15.855  -1.012
   31   1HD   LYS   3          2HD       LYS   3  -6.133  14.640  -3.063
   32   2HD   LYS   3          1HD       LYS   3  -5.823  16.132  -3.950
   33   1HE   LYS   3          2HE       LYS   3  -3.424  16.019  -3.190
   34   2HE   LYS   3          1HE       LYS   3  -3.775  14.424  -2.496
   35   1HZ   LYS   3          1HZ       LYS   3  -4.257  15.208  -5.322
   36   2HZ   LYS   3          2HZ       LYS   3  -4.567  13.681  -4.644
   37   3HZ   LYS   3          3HZ       LYS   3  -2.969  14.243  -4.786
   38    H    ASP   4           H        ASP   4  -5.298  18.660  -0.352
   39    HA   ASP   4           HA       ASP   4  -6.677  21.052  -1.430
   40   1HB   ASP   4          2HB       ASP   4  -5.524  20.721   1.323
   41   2HB   ASP   4          1HB       ASP   4  -5.439  22.302   0.546
   42    HA   PRO   5           HA       PRO   5  -2.745  21.680  -3.321
   43   1HB   PRO   5          2HB       PRO   5  -2.449  24.400  -3.323
   44   2HB   PRO   5          1HB       PRO   5  -3.595  23.552  -4.381
   45   1HG   PRO   5          2HG       PRO   5  -4.091  25.012  -1.837
   46   2HG   PRO   5          1HG       PRO   5  -5.073  24.941  -3.309
   47   1HD   PRO   5          2HD       PRO   5  -5.623  23.507  -1.051
   48   2HD   PRO   5          1HD       PRO   5  -6.100  22.997  -2.685
   49    H    ASN   6           H        ASN   6  -3.221  23.511  -0.308
   50    HA   ASN   6           HA       ASN   6  -0.339  23.752   0.217
   51   1HB   ASN   6          2HB       ASN   6  -2.884  24.364   1.746
   52   2HB   ASN   6          1HB       ASN   6  -1.275  24.704   2.384
   53   1HD2  ASN   6          1HD2      ASN   6  -3.782  26.168   0.749
   54   2HD2  ASN   6          2HD2      ASN   6  -2.910  27.364  -0.082
   55    H    ALA   7           H        ALA   7  -2.998  21.635   1.138
   56    HA   ALA   7           HA       ALA   7  -1.575  20.327   3.334
   57   1HB   ALA   7          1HB       ALA   7  -3.892  19.154   1.821
   58   2HB   ALA   7          2HB       ALA   7  -4.137  20.622   2.767
   59   3HB   ALA   7          3HB       ALA   7  -3.581  19.146   3.557
   60    HA   PRO   8           HA       PRO   8   0.513  17.347   0.886
   61   1HB   PRO   8          2HB       PRO   8   0.806  15.320   2.668
   62   2HB   PRO   8          1HB       PRO   8   1.773  16.806   2.659
   63   1HG   PRO   8          2HG       PRO   8  -0.300  15.969   4.516
   64   2HG   PRO   8          1HG       PRO   8   0.940  17.211   4.634
   65   1HD   PRO   8          2HD       PRO   8  -1.835  17.587   4.089
   66   2HD   PRO   8          1HD       PRO   8  -0.563  18.813   4.252
   67    H    LYS   9           H        LYS   9   0.426  14.795   0.477
   68    HA   LYS   9           HA       LYS   9  -2.435  14.160  -0.146
   69   1HB   LYS   9          2HB       LYS   9   0.217  13.259  -1.318
   70   2HB   LYS   9          1HB       LYS   9  -1.354  12.676  -1.865
   71   1HG   LYS   9          2HG       LYS   9  -1.207  14.419  -3.330
   72   2HG   LYS   9          1HG       LYS   9  -1.775  15.364  -1.953
   73   1HD   LYS   9          2HD       LYS   9   0.659  15.692  -1.309
   74   2HD   LYS   9          1HD       LYS   9   1.086  14.982  -2.866
   75   1HE   LYS   9          2HE       LYS   9  -0.083  16.746  -4.063
   76   2HE   LYS   9          1HE       LYS   9  -0.715  17.410  -2.543
   77   1HZ   LYS   9          1HZ       LYS   9   1.578  17.699  -1.782
   78   2HZ   LYS   9          2HZ       LYS   9   1.279  18.595  -3.193
   79   3HZ   LYS   9          3HZ       LYS   9   2.154  17.141  -3.276
   80    H    ARG  10           H        ARG  10  -3.330  12.244   0.619
   81    HA   ARG  10           HA       ARG  10  -2.415  10.953   2.925
   82   1HB   ARG  10          2HB       ARG  10  -4.041   9.184   2.265
   83   2HB   ARG  10          1HB       ARG  10  -4.687  10.804   2.008
   84   1HG   ARG  10          2HG       ARG  10  -4.020  10.665  -0.386
   85   2HG   ARG  10          1HG       ARG  10  -3.460   9.014  -0.112
   86   1HD   ARG  10          2HD       ARG  10  -6.242   9.630   0.772
   87   2HD   ARG  10          1HD       ARG  10  -5.957   9.530  -0.977
   88    HE   ARG  10           HE       ARG  10  -5.218   7.244  -0.695
   89   1HH1  ARG  10          1HH2      ARG  10  -7.608   7.820   1.342
   90   2HH1  ARG  10          2HH2      ARG  10  -7.081   6.814   2.650
   91   1HH2  ARG  10          1HH1      ARG  10  -3.888   6.370   1.372
   92   2HH2  ARG  10          2HH1      ARG  10  -4.976   5.992   2.666
   93    HA   PRO  11           HA       PRO  11   0.925   8.464   1.358
   94   1HB   PRO  11          2HB       PRO  11   1.299   6.843   3.526
   95   2HB   PRO  11          1HB       PRO  11   1.824   8.537   3.487
   96   1HG   PRO  11          2HG       PRO  11  -0.544   7.318   4.794
   97   2HG   PRO  11          1HG       PRO  11   0.470   8.668   5.322
   98   1HD   PRO  11          2HD       PRO  11  -2.012   8.933   4.157
   99   2HD   PRO  11          1HD       PRO  11  -0.765  10.197   4.183
  100    HA   PRO  12           HA       PRO  12  -0.818   4.651  -0.033
  101   1HB   PRO  12          2HB       PRO  12   1.240   2.852   0.138
  102   2HB   PRO  12          1HB       PRO  12   1.183   4.138  -1.083
  103   1HG   PRO  12          2HG       PRO  12   2.704   4.015   1.470
  104   2HG   PRO  12          1HG       PRO  12   3.193   4.658  -0.105
  105   1HD   PRO  12          2HD       PRO  12   2.391   6.226   1.972
  106   2HD   PRO  12          1HD       PRO  12   2.195   6.684   0.265
  107    H    SER  13           H        SER  13  -0.411   1.993   0.777
  108    HA   SER  13           HA       SER  13  -0.446   1.699   3.671
  109   1HB   SER  13          2HB       SER  13  -2.596   2.888   3.174
  110   2HB   SER  13          1HB       SER  13  -3.072   1.526   2.163
  111    HG   SER  13           HG       SER  13  -3.656   1.661   4.573
  112    H    ALA  14           H        ALA  14   0.958   0.283   1.623
  113    HA   ALA  14           HA       ALA  14   1.516  -1.940   1.143
  114   1HB   ALA  14          1HB       ALA  14   0.063  -2.118   3.490
  115   2HB   ALA  14          2HB       ALA  14   0.865  -3.473   2.697
  116   3HB   ALA  14          3HB       ALA  14  -0.847  -3.168   2.403
  117    H    PHE  15           H        PHE  15  -2.080  -2.091   1.256
  118    HA   PHE  15           HA       PHE  15  -2.380  -3.492  -1.181
  119   1HB   PHE  15          2HB       PHE  15  -4.113  -3.156   0.559
  120   2HB   PHE  15          1HB       PHE  15  -4.207  -1.448   0.131
  121    HD1  PHE  15           1HD      PHE  15  -4.088  -4.663  -1.812
  122    HD2  PHE  15           2HD      PHE  15  -6.115  -0.943  -1.105
  123    HE1  PHE  15           1HE      PHE  15  -5.696  -5.194  -3.622
  124    HE2  PHE  15           2HE      PHE  15  -7.725  -1.477  -2.915
  125    HZ   PHE  15           HZ       PHE  15  -7.514  -3.605  -4.176
  126    H    PHE  16           H        PHE  16  -1.769  -0.077  -0.624
  127    HA   PHE  16           HA       PHE  16  -2.607   0.800  -3.280
  128   1HB   PHE  16          2HB       PHE  16  -2.238   2.017  -0.913
  129   2HB   PHE  16          1HB       PHE  16  -0.646   2.322  -1.609
  130    HD1  PHE  16           1HD      PHE  16  -0.508   3.402  -3.916
  131    HD2  PHE  16           2HD      PHE  16  -4.131   3.260  -1.613
  132    HE1  PHE  16           1HE      PHE  16  -1.458   5.227  -5.299
  133    HE2  PHE  16           2HE      PHE  16  -5.082   5.086  -2.996
  134    HZ   PHE  16           HZ       PHE  16  -3.745   6.069  -4.840
  135    H    LEU  17           H        LEU  17   0.448  -0.283  -1.818
  136    HA   LEU  17           HA       LEU  17   2.213   0.561  -3.931
  137   1HB   LEU  17          2HB       LEU  17   2.182  -1.546  -1.778
  138   2HB   LEU  17          1HB       LEU  17   3.454  -1.599  -2.994
  139    HG   LEU  17           HG       LEU  17   4.176  -0.324  -1.007
  140   1HD1  LEU  17          1HD1      LEU  17   3.717   1.675  -3.215
  141   2HD1  LEU  17          2HD1      LEU  17   4.803   0.304  -3.441
  142   3HD1  LEU  17          3HD1      LEU  17   5.128   1.487  -2.174
  143   1HD2  LEU  17          1HD2      LEU  17   3.079   1.789  -0.428
  144   2HD2  LEU  17          2HD2      LEU  17   1.912   0.470  -0.342
  145   3HD2  LEU  17          3HD2      LEU  17   1.908   1.561  -1.728
  146    H    PHE  18           H        PHE  18   1.444  -2.835  -3.334
  147    HA   PHE  18           HA       PHE  18   1.779  -4.061  -5.753
  148   1HB   PHE  18          2HB       PHE  18   0.991  -5.204  -3.767
  149   2HB   PHE  18          1HB       PHE  18  -0.534  -4.325  -3.805
  150    HD1  PHE  18           1HD      PHE  18  -2.321  -4.973  -5.281
  151    HD2  PHE  18           2HD      PHE  18   1.486  -6.952  -5.473
  152    HE1  PHE  18           1HE      PHE  18  -3.314  -6.747  -6.695
  153    HE2  PHE  18           2HE      PHE  18   0.489  -8.728  -6.890
  154    HZ   PHE  18           HZ       PHE  18  -1.916  -8.628  -7.498
  155    H    CYS  19           H        CYS  19  -1.367  -2.501  -4.904
  156    HA   CYS  19           HA       CYS  19  -2.629  -2.717  -7.423
  157   1HB   CYS  19          2HB       CYS  19  -2.723  -0.793  -5.108
  158   2HB   CYS  19          1HB       CYS  19  -3.763  -0.536  -6.501
  159    HG   CYS  19           HG       CYS  19  -5.118  -2.057  -4.909
  160    H    SER  20           H        SER  20  -0.802   0.047  -6.118
  161    HA   SER  20           HA       SER  20  -0.862   1.754  -8.364
  162   1HB   SER  20          2HB       SER  20   1.118   1.295  -6.135
  163   2HB   SER  20          1HB       SER  20   1.347   2.581  -7.316
  164    HG   SER  20           HG       SER  20  -0.457   3.564  -6.610
  165    H    GLU  21           H        GLU  21   1.273  -1.032  -7.763
  166    HA   GLU  21           HA       GLU  21   2.924  -0.358 -10.122
  167   1HB   GLU  21          2HB       GLU  21   4.251  -2.290  -9.380
  168   2HB   GLU  21          1HB       GLU  21   3.920  -1.214  -8.027
  169   1HG   GLU  21          2HG       GLU  21   2.375  -2.685  -7.066
  170   2HG   GLU  21          1HG       GLU  21   2.072  -3.523  -8.585
  171    H    HIS  22           H        HIS  22   0.245  -2.493  -9.312
  172    HA   HIS  22           HA       HIS  22   0.572  -3.946 -11.900
  173   1HB   HIS  22          2HB       HIS  22  -1.007  -4.384  -9.356
  174   2HB   HIS  22          1HB       HIS  22  -1.258  -5.365 -10.799
  175    HD1  HIS  22           1HD      HIS  22   1.201  -6.333 -11.799
  176    HD2  HIS  22           2HD      HIS  22   0.916  -5.482  -7.729
  177    HE1  HIS  22           1HE      HIS  22   3.082  -7.599 -10.669
  178    H    ARG  23           H        ARG  23  -0.604  -1.084 -11.345
  179    HA   ARG  23           HA       ARG  23  -3.412  -1.416 -12.147
  180   1HB   ARG  23          2HB       ARG  23  -2.682   0.281 -10.518
  181   2HB   ARG  23          1HB       ARG  23  -1.665   1.031 -11.742
  182   1HG   ARG  23          2HG       ARG  23  -3.603   1.576 -13.101
  183   2HG   ARG  23          1HG       ARG  23  -4.663   0.687 -12.007
  184   1HD   ARG  23          2HD       ARG  23  -2.966   2.987 -11.014
  185   2HD   ARG  23          1HD       ARG  23  -4.586   3.246 -11.690
  186    HE   ARG  23           HE       ARG  23  -5.164   1.293  -9.957
  187   1HH1  ARG  23          1HH1      ARG  23  -5.637   4.075  -9.033
  188   2HH1  ARG  23          2HH1      ARG  23  -4.697   4.156  -7.580
  189   1HH2  ARG  23          1HH2      ARG  23  -2.815   1.340  -8.326
  190   2HH2  ARG  23          2HH2      ARG  23  -3.099   2.608  -7.181
  191    HA   PRO  24           HA       PRO  24  -1.755   0.522 -16.169
  192   1HB   PRO  24          2HB       PRO  24   0.928   0.511 -16.674
  193   2HB   PRO  24          1HB       PRO  24   0.108   1.847 -15.842
  194   1HG   PRO  24          2HG       PRO  24   1.795  -0.317 -14.734
  195   2HG   PRO  24          1HG       PRO  24   1.604   1.358 -14.198
  196   1HD   PRO  24          2HD       PRO  24   0.431  -0.850 -13.015
  197   2HD   PRO  24          1HD       PRO  24  -0.099   0.831 -12.810
  198    H    LYS  25           H        LYS  25  -0.663  -2.414 -14.777
  199    HA   LYS  25           HA       LYS  25   0.164  -3.695 -17.293
  200   1HB   LYS  25          2HB       LYS  25   1.070  -4.143 -14.956
  201   2HB   LYS  25          1HB       LYS  25  -0.475  -4.911 -14.589
  202   1HG   LYS  25          2HG       LYS  25  -0.101  -6.680 -16.058
  203   2HG   LYS  25          1HG       LYS  25   1.032  -5.754 -17.043
  204   1HD   LYS  25          2HD       LYS  25   2.520  -7.107 -15.896
  205   2HD   LYS  25          1HD       LYS  25   2.440  -5.735 -14.789
  206   1HE   LYS  25          2HE       LYS  25   2.058  -7.532 -13.326
  207   2HE   LYS  25          1HE       LYS  25   0.396  -7.091 -13.767
  208   1HZ   LYS  25          1HZ       LYS  25   0.490  -8.686 -15.583
  209   2HZ   LYS  25          2HZ       LYS  25   0.780  -9.461 -14.099
  210   3HZ   LYS  25          3HZ       LYS  25   2.072  -9.121 -15.151
  211    H    ILE  26           H        ILE  26  -2.653  -3.631 -15.138
  212    HA   ILE  26           HA       ILE  26  -4.145  -5.709 -16.500
  213    HB   ILE  26           HB       ILE  26  -4.996  -3.400 -14.716
  214   1HG1  ILE  26          2HG1      ILE  26  -3.324  -4.874 -13.665
  215   2HG1  ILE  26          1HG1      ILE  26  -4.900  -5.087 -12.909
  216   1HG2  ILE  26          1HG2      ILE  26  -6.859  -5.175 -14.194
  217   2HG2  ILE  26          2HG2      ILE  26  -6.430  -5.821 -15.778
  218   3HG2  ILE  26          3HG2      ILE  26  -7.009  -4.161 -15.629
  219   1HD1  ILE  26          1HD1      ILE  26  -3.280  -7.014 -14.420
  220   2HD1  ILE  26          2HD1      ILE  26  -4.957  -6.947 -14.961
  221   3HD1  ILE  26          3HD1      ILE  26  -4.589  -7.303 -13.274
  222    H    LYS  27           H        LYS  27  -3.465  -2.407 -17.285
  223    HA   LYS  27           HA       LYS  27  -5.907  -1.923 -18.832
  224   1HB   LYS  27          2HB       LYS  27  -3.288  -0.546 -18.288
  225   2HB   LYS  27          1HB       LYS  27  -4.345   0.051 -19.570
  226   1HG   LYS  27          2HG       LYS  27  -6.223  -0.037 -17.792
  227   2HG   LYS  27          1HG       LYS  27  -4.914  -0.151 -16.615
  228   1HD   LYS  27          2HD       LYS  27  -4.044   1.969 -17.202
  229   2HD   LYS  27          1HD       LYS  27  -4.942   2.010 -18.720
  230   1HE   LYS  27          2HE       LYS  27  -7.074   1.957 -17.246
  231   2HE   LYS  27          1HE       LYS  27  -5.992   2.410 -15.915
  232   1HZ   LYS  27          1HZ       LYS  27  -5.193   4.267 -17.190
  233   2HZ   LYS  27          2HZ       LYS  27  -6.887   4.358 -17.105
  234   3HZ   LYS  27          3HZ       LYS  27  -6.133   3.817 -18.528
  235    H    SER  28           H        SER  28  -2.903  -3.544 -19.415
  236    HA   SER  28           HA       SER  28  -2.747  -3.050 -22.282
  237   1HB   SER  28          2HB       SER  28  -0.959  -4.684 -22.150
  238   2HB   SER  28          1HB       SER  28  -0.870  -3.677 -20.708
  239    HG   SER  28           HG       SER  28  -0.794  -5.713 -19.944
  240    H    GLU  29           H        GLU  29  -3.817  -5.821 -20.278
  241    HA   GLU  29           HA       GLU  29  -4.896  -7.203 -22.663
  242   1HB   GLU  29          2HB       GLU  29  -4.638  -7.833 -19.713
  243   2HB   GLU  29          1HB       GLU  29  -5.410  -8.931 -20.858
  244   1HG   GLU  29          2HG       GLU  29  -3.251  -8.707 -22.250
  245   2HG   GLU  29          1HG       GLU  29  -2.534  -8.018 -20.794
  246    H    HIS  30           H        HIS  30  -6.078  -4.712 -20.865
  247    HA   HIS  30           HA       HIS  30  -8.887  -5.498 -21.403
  248   1HB   HIS  30          2HB       HIS  30  -7.872  -4.608 -18.681
  249   2HB   HIS  30          1HB       HIS  30  -9.550  -4.937 -19.091
  250    HD1  HIS  30           1HD      HIS  30 -10.286  -7.393 -19.268
  251    HD2  HIS  30           2HD      HIS  30  -6.216  -6.947 -18.506
  252    HE1  HIS  30           1HE      HIS  30  -9.420  -9.690 -18.642
  253    HA   PRO  31           HA       PRO  31  -7.825  -1.093 -22.381
  254   1HB   PRO  31          2HB       PRO  31  -9.346  -0.996 -24.665
  255   2HB   PRO  31          1HB       PRO  31  -7.661  -1.557 -24.644
  256   1HG   PRO  31          2HG       PRO  31 -10.185  -3.157 -24.618
  257   2HG   PRO  31          1HG       PRO  31  -8.698  -3.417 -25.546
  258   1HD   PRO  31          2HD       PRO  31  -9.234  -4.828 -23.318
  259   2HD   PRO  31          1HD       PRO  31  -7.577  -4.347 -23.748
  260    H    GLY  32           H        GLY  32  -9.032   0.142 -20.987
  261   1HA   GLY  32          2HA       GLY  32 -11.073   1.500 -20.737
  262   2HA   GLY  32          1HA       GLY  32 -12.001   0.116 -21.313
  263    H    LEU  33           H        LEU  33 -10.083  -1.583 -19.514
  264    HA   LEU  33           HA       LEU  33 -11.782  -2.120 -17.366
  265   1HB   LEU  33          2HB       LEU  33  -9.473  -3.106 -18.308
  266   2HB   LEU  33          1HB       LEU  33  -8.830  -2.225 -16.925
  267    HG   LEU  33           HG       LEU  33  -9.360  -4.552 -16.311
  268   1HD1  LEU  33          1HD1      LEU  33 -10.378  -4.046 -14.282
  269   2HD1  LEU  33          2HD1      LEU  33 -11.507  -2.905 -15.012
  270   3HD1  LEU  33          3HD1      LEU  33  -9.815  -2.455 -14.794
  271   1HD2  LEU  33          1HD2      LEU  33 -12.285  -3.968 -16.692
  272   2HD2  LEU  33          2HD2      LEU  33 -11.466  -5.528 -16.591
  273   3HD2  LEU  33          3HD2      LEU  33 -11.330  -4.553 -18.055
  274    H    SER  34           H        SER  34 -12.603  -0.513 -16.096
  275    HA   SER  34           HA       SER  34 -11.148   1.822 -15.209
  276   1HB   SER  34          2HB       SER  34 -13.197   1.806 -13.572
  277   2HB   SER  34          1HB       SER  34 -13.494   1.999 -15.296
  278    HG   SER  34           HG       SER  34 -14.738   0.339 -14.050
  279    H    ILE  35           H        ILE  35 -11.556   2.007 -12.491
  280    HA   ILE  35           HA       ILE  35  -9.516   0.147 -11.432
  281    HB   ILE  35           HB       ILE  35 -10.977   2.521 -10.223
  282   1HG1  ILE  35          2HG1      ILE  35  -9.667   3.139 -12.224
  283   2HG1  ILE  35          1HG1      ILE  35  -8.911   3.775 -10.765
  284   1HG2  ILE  35          1HG2      ILE  35  -8.689   0.798  -9.305
  285   2HG2  ILE  35          2HG2      ILE  35 -10.081   1.376  -8.389
  286   3HG2  ILE  35          3HG2      ILE  35  -8.776   2.487  -8.806
  287   1HD1  ILE  35          1HD1      ILE  35  -7.183   2.804 -12.174
  288   2HD1  ILE  35          2HD1      ILE  35  -8.081   1.291 -12.296
  289   3HD1  ILE  35          3HD1      ILE  35  -7.387   1.782 -10.750
  290    H    GLY  36           H        GLY  36 -12.615  -0.452 -11.928
  291   1HA   GLY  36          2HA       GLY  36 -13.371  -1.259  -9.181
  292   2HA   GLY  36          1HA       GLY  36 -14.416  -1.328 -10.602
  293    H    ASP  37           H        ASP  37 -13.369  -2.859 -12.393
  294    HA   ASP  37           HA       ASP  37 -13.411  -5.534 -11.361
  295   1HB   ASP  37          2HB       ASP  37 -12.500  -4.289 -13.969
  296   2HB   ASP  37          1HB       ASP  37 -12.597  -6.032 -13.727
  297    H    THR  38           H        THR  38 -10.713  -3.444 -12.426
  298    HA   THR  38           HA       THR  38  -8.602  -5.338 -12.074
  299    HB   THR  38           HB       THR  38  -8.850  -2.319 -12.064
  300    HG1  THR  38           1HG      THR  38  -7.849  -2.585 -14.040
  301   1HG2  THR  38          1HG2      THR  38  -6.369  -3.973 -11.563
  302   2HG2  THR  38          2HG2      THR  38  -6.932  -2.554 -10.681
  303   3HG2  THR  38          3HG2      THR  38  -6.275  -2.377 -12.308
  304    H    ALA  39           H        ALA  39 -10.210  -3.139  -9.796
  305    HA   ALA  39           HA       ALA  39  -8.430  -3.528  -7.563
  306   1HB   ALA  39          1HB       ALA  39 -10.510  -2.736  -6.306
  307   2HB   ALA  39          2HB       ALA  39 -11.349  -2.761  -7.857
  308   3HB   ALA  39          3HB       ALA  39  -9.976  -1.682  -7.615
  309    H    LYS  40           H        LYS  40 -11.130  -5.363  -8.867
  310    HA   LYS  40           HA       LYS  40 -11.436  -7.115  -6.546
  311   1HB   LYS  40          2HB       LYS  40 -12.440  -6.970  -9.385
  312   2HB   LYS  40          1HB       LYS  40 -12.752  -8.407  -8.412
  313   1HG   LYS  40          2HG       LYS  40 -13.576  -6.717  -6.606
  314   2HG   LYS  40          1HG       LYS  40 -13.687  -5.583  -7.953
  315   1HD   LYS  40          2HD       LYS  40 -15.328  -6.848  -9.052
  316   2HD   LYS  40          1HD       LYS  40 -14.909  -8.324  -8.182
  317   1HE   LYS  40          2HE       LYS  40 -16.992  -7.509  -7.245
  318   2HE   LYS  40          1HE       LYS  40 -15.721  -7.154  -6.057
  319   1HZ   LYS  40          1HZ       LYS  40 -15.480  -4.952  -7.010
  320   2HZ   LYS  40          2HZ       LYS  40 -17.084  -5.192  -6.503
  321   3HZ   LYS  40          3HZ       LYS  40 -16.688  -5.282  -8.153
  322    H    LYS  41           H        LYS  41  -9.567  -7.102  -9.533
  323    HA   LYS  41           HA       LYS  41  -8.720  -9.917  -9.229
  324   1HB   LYS  41          2HB       LYS  41  -9.209  -8.569 -11.387
  325   2HB   LYS  41          1HB       LYS  41  -7.630  -7.829 -11.120
  326   1HG   LYS  41          2HG       LYS  41  -6.716 -10.220 -10.937
  327   2HG   LYS  41          1HG       LYS  41  -8.262 -10.743 -11.608
  328   1HD   LYS  41          2HD       LYS  41  -7.838  -9.051 -13.491
  329   2HD   LYS  41          1HD       LYS  41  -6.180  -8.971 -12.894
  330   1HE   LYS  41          2HE       LYS  41  -6.209 -11.566 -13.059
  331   2HE   LYS  41          1HE       LYS  41  -7.626 -11.330 -14.103
  332   1HZ   LYS  41          1HZ       LYS  41  -4.993  -9.991 -14.445
  333   2HZ   LYS  41          2HZ       LYS  41  -6.354  -9.779 -15.441
  334   3HZ   LYS  41          3HZ       LYS  41  -5.562 -11.281 -15.388
  335    H    LEU  42           H        LEU  42  -7.551  -6.700  -8.473
  336    HA   LEU  42           HA       LEU  42  -4.756  -7.442  -8.082
  337   1HB   LEU  42          2HB       LEU  42  -6.519  -5.097  -7.913
  338   2HB   LEU  42          1HB       LEU  42  -5.278  -5.105  -6.666
  339    HG   LEU  42           HG       LEU  42  -3.526  -5.334  -8.343
  340   1HD1  LEU  42          1HD1      LEU  42  -5.854  -5.516 -10.269
  341   2HD1  LEU  42          2HD1      LEU  42  -4.557  -6.686 -10.034
  342   3HD1  LEU  42          3HD1      LEU  42  -4.215  -5.131 -10.793
  343   1HD2  LEU  42          1HD2      LEU  42  -5.297  -3.230  -9.520
  344   2HD2  LEU  42          2HD2      LEU  42  -3.590  -3.141  -9.090
  345   3HD2  LEU  42          3HD2      LEU  42  -4.822  -3.085  -7.832
  346    H    GLY  43           H        GLY  43  -7.334  -6.452  -5.804
  347   1HA   GLY  43          2HA       GLY  43  -5.997  -7.122  -3.404
  348   2HA   GLY  43          1HA       GLY  43  -7.755  -7.116  -3.578
  349    H    GLU  44           H        GLU  44  -7.564  -9.184  -5.756
  350    HA   GLU  44           HA       GLU  44  -7.761 -11.553  -4.086
  351   1HB   GLU  44          2HB       GLU  44  -8.979 -10.981  -6.272
  352   2HB   GLU  44          1HB       GLU  44  -7.474 -11.380  -7.101
  353   1HG   GLU  44          2HG       GLU  44  -7.546 -13.620  -5.882
  354   2HG   GLU  44          1HG       GLU  44  -9.196 -13.207  -5.412
  355    H    MET  45           H        MET  45  -5.366 -10.262  -6.389
  356    HA   MET  45           HA       MET  45  -3.527 -12.517  -6.051
  357   1HB   MET  45          2HB       MET  45  -3.635  -9.882  -7.484
  358   2HB   MET  45          1HB       MET  45  -2.067 -10.664  -7.287
  359   1HG   MET  45          2HG       MET  45  -2.983 -12.729  -8.308
  360   2HG   MET  45          1HG       MET  45  -4.528 -11.912  -8.545
  361   1HE   MET  45          1HE       MET  45  -4.193 -11.093 -12.016
  362   2HE   MET  45          2HE       MET  45  -5.134 -11.523 -10.590
  363   3HE   MET  45          3HE       MET  45  -4.045 -12.707 -11.308
  364    H    TRP  46           H        TRP  46  -3.820  -9.175  -4.845
  365    HA   TRP  46           HA       TRP  46  -1.323  -8.923  -3.501
  366   1HB   TRP  46          2HB       TRP  46  -2.869  -7.075  -3.839
  367   2HB   TRP  46          1HB       TRP  46  -4.114  -7.865  -2.880
  368    HD1  TRP  46           HD       TRP  46  -4.268  -6.799  -0.564
  369    HE1  TRP  46           1HE      TRP  46  -2.594  -5.801   1.127
  370    HE3  TRP  46           3HE      TRP  46   0.049  -7.370  -3.189
  371    HZ2  TRP  46           2HZ      TRP  46   0.227  -5.313   1.327
  372    HZ3  TRP  46           3HZ      TRP  46   2.218  -6.639  -2.241
  373    HH2  TRP  46           HH       TRP  46   2.311  -5.616   0.008
  374    H    SER  47           H        SER  47  -4.465 -10.081  -2.193
  375    HA   SER  47           HA       SER  47  -3.440 -10.896   0.362
  376   1HB   SER  47          2HB       SER  47  -5.864 -10.511  -0.633
  377   2HB   SER  47          1HB       SER  47  -5.763 -12.232  -0.996
  378    HG   SER  47           HG       SER  47  -6.614 -11.984   1.056
  379    H    GLU  48           H        GLU  48  -2.960 -12.263  -2.758
  380    HA   GLU  48           HA       GLU  48  -2.506 -14.998  -1.693
  381   1HB   GLU  48          2HB       GLU  48  -2.950 -13.687  -4.363
  382   2HB   GLU  48          1HB       GLU  48  -2.186 -15.274  -4.293
  383   1HG   GLU  48          2HG       GLU  48  -4.758 -14.719  -2.821
  384   2HG   GLU  48          1HG       GLU  48  -4.762 -15.204  -4.518
  385    H    GLN  49           H        GLN  49  -0.769 -12.123  -2.284
  386    HA   GLN  49           HA       GLN  49   1.682 -13.336  -3.295
  387   1HB   GLN  49          2HB       GLN  49   0.570 -10.720  -2.733
  388   2HB   GLN  49          1HB       GLN  49   2.169 -10.840  -2.008
  389   1HG   GLN  49          2HG       GLN  49   2.351 -10.011  -4.303
  390   2HG   GLN  49          1HG       GLN  49   3.081 -11.612  -4.180
  391   1HE2  GLN  49          1HE2      GLN  49   0.038  -9.978  -5.166
  392   2HE2  GLN  49          2HE2      GLN  49  -0.413 -11.164  -6.292
  393    H    SER  50           H        SER  50   3.511 -13.848  -2.062
  394    HA   SER  50           HA       SER  50   3.025 -14.275   0.840
  395   1HB   SER  50          2HB       SER  50   4.978 -15.811   0.580
  396   2HB   SER  50          1HB       SER  50   3.698 -16.178  -0.573
  397    HG   SER  50           HG       SER  50   6.104 -15.837  -1.220
  398    H    ALA  51           H        ALA  51   6.371 -14.055  -0.073
  399    HA   ALA  51           HA       ALA  51   6.539 -11.414   1.313
  400   1HB   ALA  51          1HB       ALA  51   8.428 -13.746   0.901
  401   2HB   ALA  51          2HB       ALA  51   7.751 -13.162   2.421
  402   3HB   ALA  51          3HB       ALA  51   8.965 -12.206   1.571
  403    H    LYS  52           H        LYS  52   7.281 -13.111  -1.678
  404    HA   LYS  52           HA       LYS  52   9.229 -11.457  -2.857
  405   1HB   LYS  52          2HB       LYS  52   8.043 -13.640  -3.622
  406   2HB   LYS  52          1HB       LYS  52   6.856 -12.561  -4.357
  407   1HG   LYS  52          2HG       LYS  52   9.139 -11.396  -5.236
  408   2HG   LYS  52          1HG       LYS  52   9.681 -13.071  -5.124
  409   1HD   LYS  52          2HD       LYS  52   8.175 -13.812  -6.729
  410   2HD   LYS  52          1HD       LYS  52   7.039 -12.499  -6.417
  411   1HE   LYS  52          2HE       LYS  52   9.203 -11.077  -7.285
  412   2HE   LYS  52          1HE       LYS  52   9.372 -12.564  -8.240
  413   1HZ   LYS  52          1HZ       LYS  52   6.916 -10.911  -7.976
  414   2HZ   LYS  52          2HZ       LYS  52   7.000 -12.397  -8.793
  415   3HZ   LYS  52          3HZ       LYS  52   7.878 -11.061  -9.364
  416    H    ASP  53           H        ASP  53   5.661 -11.085  -3.161
  417    HA   ASP  53           HA       ASP  53   6.144  -8.211  -3.886
  418   1HB   ASP  53          2HB       ASP  53   4.408 -10.375  -4.972
  419   2HB   ASP  53          1HB       ASP  53   3.744  -8.741  -4.956
  420    H    LYS  54           H        LYS  54   6.000  -8.422  -1.319
  421    HA   LYS  54           HA       LYS  54   3.507  -7.187  -0.518
  422   1HB   LYS  54          2HB       LYS  54   3.441  -9.900  -0.697
  423   2HB   LYS  54          1HB       LYS  54   3.952  -9.695   0.972
  424   1HG   LYS  54          2HG       LYS  54   2.014  -7.996   1.162
  425   2HG   LYS  54          1HG       LYS  54   1.444  -8.665  -0.361
  426   1HD   LYS  54          2HD       LYS  54   0.294  -9.926   1.257
  427   2HD   LYS  54          1HD       LYS  54   1.646 -10.961   0.805
  428   1HE   LYS  54          2HE       LYS  54   1.758 -11.036   3.154
  429   2HE   LYS  54          1HE       LYS  54   2.877  -9.707   2.789
  430   1HZ   LYS  54          1HZ       LYS  54   1.058  -8.142   3.018
  431   2HZ   LYS  54          2HZ       LYS  54   1.223  -9.047   4.447
  432   3HZ   LYS  54          3HZ       LYS  54  -0.026  -9.402   3.351
  433    H    GLN  55           H        GLN  55   6.571  -8.699   0.434
  434    HA   GLN  55           HA       GLN  55   6.612  -7.594   3.122
  435   1HB   GLN  55          2HB       GLN  55   8.380  -9.115   1.279
  436   2HB   GLN  55          1HB       GLN  55   9.183  -8.222   2.570
  437   1HG   GLN  55          2HG       GLN  55   6.869 -10.132   3.010
  438   2HG   GLN  55          1HG       GLN  55   8.566 -10.568   3.217
  439   1HE2  GLN  55          1HE2      GLN  55   5.883  -9.437   4.910
  440   2HE2  GLN  55          2HE2      GLN  55   6.686  -8.732   6.229
  441    HA   PRO  56           HA       PRO  56   9.637  -4.413   1.259
  442   1HB   PRO  56          2HB       PRO  56   9.831  -4.169  -1.456
  443   2HB   PRO  56          1HB       PRO  56  10.855  -5.260  -0.502
  444   1HG   PRO  56          2HG       PRO  56   8.474  -5.871  -2.165
  445   2HG   PRO  56          1HG       PRO  56   9.948  -6.816  -1.908
  446   1HD   PRO  56          2HD       PRO  56   7.544  -7.326  -0.694
  447   2HD   PRO  56          1HD       PRO  56   9.119  -7.829  -0.045
  448    H    TYR  57           H        TYR  57   6.451  -4.970   0.086
  449    HA   TYR  57           HA       TYR  57   6.040  -2.219  -0.901
  450   1HB   TYR  57          2HB       TYR  57   4.352  -4.704  -0.566
  451   2HB   TYR  57          1HB       TYR  57   3.651  -3.169  -1.085
  452    HD1  TYR  57           1HD      TYR  57   4.598  -6.130  -2.390
  453    HD2  TYR  57           2HD      TYR  57   5.558  -1.970  -2.854
  454    HE1  TYR  57           1HE      TYR  57   5.377  -6.566  -4.703
  455    HE2  TYR  57           2HE      TYR  57   6.338  -2.407  -5.166
  456    HH   TYR  57           HH       TYR  57   7.185  -4.312  -6.488
  457    H    GLU  58           H        GLU  58   5.211  -4.185   1.945
  458    HA   GLU  58           HA       GLU  58   3.514  -2.163   3.164
  459   1HB   GLU  58          2HB       GLU  58   3.752  -3.660   5.154
  460   2HB   GLU  58          1HB       GLU  58   3.301  -4.533   3.693
  461   1HG   GLU  58          2HG       GLU  58   5.221  -5.734   3.684
  462   2HG   GLU  58          1HG       GLU  58   6.206  -4.315   4.031
  463    H    GLN  59           H        GLN  59   6.964  -2.747   3.051
  464    HA   GLN  59           HA       GLN  59   7.642  -1.146   5.395
  465   1HB   GLN  59          2HB       GLN  59   9.115  -2.288   3.010
  466   2HB   GLN  59          1HB       GLN  59   9.939  -1.308   4.224
  467   1HG   GLN  59          2HG       GLN  59   8.306  -3.770   4.892
  468   2HG   GLN  59          1HG       GLN  59  10.054  -3.794   4.651
  469   1HE2  GLN  59          1HE2      GLN  59   7.479  -2.649   6.806
  470   2HE2  GLN  59          2HE2      GLN  59   8.505  -2.218   8.088
  471    H    LYS  60           H        LYS  60   8.403  -0.600   1.937
  472    HA   LYS  60           HA       LYS  60   9.070   2.086   1.951
  473   1HB   LYS  60          2HB       LYS  60   8.930   0.333   0.064
  474   2HB   LYS  60          1HB       LYS  60   7.262   0.869  -0.141
  475   1HG   LYS  60          2HG       LYS  60   8.299   3.265  -0.214
  476   2HG   LYS  60          1HG       LYS  60   9.805   2.418  -0.567
  477   1HD   LYS  60          2HD       LYS  60   8.241   1.140  -2.316
  478   2HD   LYS  60          1HD       LYS  60   7.328   2.646  -2.218
  479   1HE   LYS  60          2HE       LYS  60   8.836   3.211  -3.899
  480   2HE   LYS  60          1HE       LYS  60   9.788   3.699  -2.483
  481   1HZ   LYS  60          1HZ       LYS  60  10.793   1.524  -2.417
  482   2HZ   LYS  60          2HZ       LYS  60  11.031   2.197  -3.958
  483   3HZ   LYS  60          3HZ       LYS  60   9.849   0.999  -3.725
  484    H    ALA  61           H        ALA  61   5.821   0.752   2.304
  485    HA   ALA  61           HA       ALA  61   4.522   3.388   1.985
  486   1HB   ALA  61          1HB       ALA  61   3.647   1.022   1.327
  487   2HB   ALA  61          2HB       ALA  61   2.520   2.129   2.112
  488   3HB   ALA  61          3HB       ALA  61   3.289   0.844   3.044
  489    H    ALA  62           H        ALA  62   5.397   1.074   4.525
  490    HA   ALA  62           HA       ALA  62   4.108   2.262   6.762
  491   1HB   ALA  62          1HB       ALA  62   6.032   1.156   8.004
  492   2HB   ALA  62          2HB       ALA  62   6.744   0.795   6.431
  493   3HB   ALA  62          3HB       ALA  62   5.186   0.099   6.875
  494    H    LYS  63           H        LYS  63   7.440   2.847   5.531
  495    HA   LYS  63           HA       LYS  63   8.017   5.004   7.358
  496   1HB   LYS  63          2HB       LYS  63   9.573   3.496   5.958
  497   2HB   LYS  63          1HB       LYS  63   9.197   4.564   4.607
  498   1HG   LYS  63          2HG       LYS  63  10.944   5.805   5.363
  499   2HG   LYS  63          1HG       LYS  63   9.805   6.375   6.582
  500   1HD   LYS  63          2HD       LYS  63  11.484   3.887   6.961
  501   2HD   LYS  63          1HD       LYS  63  12.026   5.485   7.473
  502   1HE   LYS  63          2HE       LYS  63  10.003   5.715   8.893
  503   2HE   LYS  63          1HE       LYS  63   9.492   4.087   8.405
  504   1HZ   LYS  63          1HZ       LYS  63  11.555   3.196   9.242
  505   2HZ   LYS  63          2HZ       LYS  63  10.783   4.064  10.481
  506   3HZ   LYS  63          3HZ       LYS  63  12.107   4.744   9.659
  507    H    LEU  64           H        LEU  64   6.017   4.836   4.553
  508    HA   LEU  64           HA       LEU  64   6.302   7.691   3.842
  509   1HB   LEU  64          2HB       LEU  64   4.887   5.246   2.837
  510   2HB   LEU  64          1HB       LEU  64   4.251   6.822   2.368
  511    HG   LEU  64           HG       LEU  64   7.161   6.053   2.049
  512   1HD1  LEU  64          1HD1      LEU  64   5.177   6.190  -0.210
  513   2HD1  LEU  64          2HD1      LEU  64   5.368   4.696   0.708
  514   3HD1  LEU  64          3HD1      LEU  64   6.743   5.381  -0.158
  515   1HD2  LEU  64          1HD2      LEU  64   5.414   8.336   1.108
  516   2HD2  LEU  64          2HD2      LEU  64   6.966   7.973   0.352
  517   3HD2  LEU  64          3HD2      LEU  64   6.898   8.423   2.056
  518    H    LYS  65           H        LYS  65   4.052   5.499   5.471
  519    HA   LYS  65           HA       LYS  65   1.877   7.341   5.830
  520   1HB   LYS  65          2HB       LYS  65   1.765   4.872   6.094
  521   2HB   LYS  65          1HB       LYS  65   2.810   4.986   7.511
  522   1HG   LYS  65          2HG       LYS  65   1.165   6.068   8.795
  523   2HG   LYS  65          1HG       LYS  65   0.252   6.570   7.371
  524   1HD   LYS  65          2HD       LYS  65  -1.004   4.771   8.271
  525   2HD   LYS  65          1HD       LYS  65  -0.104   4.054   6.933
  526   1HE   LYS  65          2HE       LYS  65   1.650   3.312   8.565
  527   2HE   LYS  65          1HE       LYS  65   0.623   3.916   9.881
  528   1HZ   LYS  65          1HZ       LYS  65  -0.164   1.910   7.833
  529   2HZ   LYS  65          2HZ       LYS  65  -1.185   2.529   9.041
  530   3HZ   LYS  65          3HZ       LYS  65   0.161   1.584   9.466
  531    H    GLU  66           H        GLU  66   4.404   6.265   8.113
  532    HA   GLU  66           HA       GLU  66   3.925   8.024  10.255
  533   1HB   GLU  66          2HB       GLU  66   6.451   6.844   9.075
  534   2HB   GLU  66          1HB       GLU  66   6.453   7.729  10.601
  535   1HG   GLU  66          2HG       GLU  66   4.871   6.164  11.574
  536   2HG   GLU  66          1HG       GLU  66   4.688   5.332  10.029
  537    H    LYS  67           H        LYS  67   5.576   8.658   7.193
  538    HA   LYS  67           HA       LYS  67   6.715  11.219   7.890
  539   1HB   LYS  67          2HB       LYS  67   7.156   9.583   5.910
  540   2HB   LYS  67          1HB       LYS  67   5.786  10.384   5.140
  541   1HG   LYS  67          2HG       LYS  67   6.923  12.579   5.490
  542   2HG   LYS  67          1HG       LYS  67   8.320  11.718   6.135
  543   1HD   LYS  67          2HD       LYS  67   8.341  10.404   3.937
  544   2HD   LYS  67          1HD       LYS  67   7.206  11.609   3.328
  545   1HE   LYS  67          2HE       LYS  67   9.858  12.380   4.579
  546   2HE   LYS  67          1HE       LYS  67   9.664  12.104   2.837
  547   1HZ   LYS  67          1HZ       LYS  67   9.266  14.432   3.420
  548   2HZ   LYS  67          2HZ       LYS  67   8.021  13.963   4.476
  549   3HZ   LYS  67          3HZ       LYS  67   7.864  13.703   2.805
  550    H    TYR  68           H        TYR  68   3.522  10.168   6.882
  551    HA   TYR  68           HA       TYR  68   2.480  12.736   6.049
  552   1HB   TYR  68          2HB       TYR  68   1.599  10.384   5.600
  553   2HB   TYR  68          1HB       TYR  68   1.002  10.375   7.255
  554    HD1  TYR  68           1HD      TYR  68   1.076  12.996   4.560
  555    HD2  TYR  68           2HD      TYR  68  -1.306  10.675   7.279
  556    HE1  TYR  68           1HE      TYR  68  -0.954  14.215   3.823
  557    HE2  TYR  68           2HE      TYR  68  -3.335  11.896   6.544
  558    HH   TYR  68           HH       TYR  68  -3.849  13.277   4.066
  559    H    GLU  69           H        GLU  69   2.606  10.985   9.118
  560    HA   GLU  69           HA       GLU  69   0.944  12.642  10.720
  561   1HB   GLU  69          2HB       GLU  69   3.485  11.128  11.419
  562   2HB   GLU  69          1HB       GLU  69   2.267  11.661  12.579
  563   1HG   GLU  69          2HG       GLU  69   0.656  10.335  10.892
  564   2HG   GLU  69          1HG       GLU  69   2.148   9.442  10.589
  565    H    LYS  70           H        LYS  70   4.395  12.937   9.909
  566    HA   LYS  70           HA       LYS  70   4.784  15.351  11.530
  567   1HB   LYS  70          2HB       LYS  70   6.390  13.834   9.452
  568   2HB   LYS  70          1HB       LYS  70   7.001  15.284  10.249
  569   1HG   LYS  70          2HG       LYS  70   6.750  14.216  12.441
  570   2HG   LYS  70          1HG       LYS  70   6.070  12.777  11.680
  571   1HD   LYS  70          2HD       LYS  70   8.280  12.759  10.294
  572   2HD   LYS  70          1HD       LYS  70   8.895  13.811  11.570
  573   1HE   LYS  70          2HE       LYS  70   8.691  12.147  13.219
  574   2HE   LYS  70          1HE       LYS  70   7.498  11.230  12.276
  575   1HZ   LYS  70          1HZ       LYS  70   9.193  10.788  10.614
  576   2HZ   LYS  70          2HZ       LYS  70   9.698  10.213  12.132
  577   3HZ   LYS  70          3HZ       LYS  70  10.339  11.660  11.511
  578    H    ASP  71           H        ASP  71   4.041  14.521   8.203
  579    HA   ASP  71           HA       ASP  71   4.465  17.152   7.044
  580   1HB   ASP  71          2HB       ASP  71   3.379  14.496   6.330
  581   2HB   ASP  71          1HB       ASP  71   2.632  15.832   5.462
  582    H    ILE  72           H        ILE  72   1.575  15.343   8.075
  583    HA   ILE  72           HA       ILE  72  -0.278  17.531   7.677
  584    HB   ILE  72           HB       ILE  72  -0.291  14.887   9.165
  585   1HG1  ILE  72          2HG1      ILE  72  -0.262  14.824   6.698
  586   2HG1  ILE  72          1HG1      ILE  72  -1.787  14.216   7.334
  587   1HG2  ILE  72          1HG2      ILE  72  -2.500  16.945   8.949
  588   2HG2  ILE  72          2HG2      ILE  72  -1.893  16.147  10.400
  589   3HG2  ILE  72          3HG2      ILE  72  -2.836  15.236   9.221
  590   1HD1  ILE  72          1HD1      ILE  72  -2.375  15.668   5.530
  591   2HD1  ILE  72          2HD1      ILE  72  -1.252  16.913   6.072
  592   3HD1  ILE  72          3HD1      ILE  72  -2.712  16.580   7.001
  593    H    ALA  73           H        ALA  73   1.575  16.312  10.456
  594    HA   ALA  73           HA       ALA  73   0.449  17.696  12.607
  595   1HB   ALA  73          1HB       ALA  73   2.951  17.769  13.361
  596   2HB   ALA  73          2HB       ALA  73   3.262  16.945  11.833
  597   3HB   ALA  73          3HB       ALA  73   2.214  16.200  13.040
  598    H    ALA  74           H        ALA  74   2.519  19.008  10.057
  599    HA   ALA  74           HA       ALA  74   2.818  21.627  11.362
  600   1HB   ALA  74          1HB       ALA  74   3.390  20.631   8.546
  601   2HB   ALA  74          2HB       ALA  74   4.538  20.617   9.886
  602   3HB   ALA  74          3HB       ALA  74   3.969  22.151   9.228
  603    H    TYR  75           H        TYR  75   1.298  20.501   8.331
  604    HA   TYR  75           HA       TYR  75  -0.189  22.857   7.752
  605   1HB   TYR  75          2HB       TYR  75   0.286  20.926   6.237
  606   2HB   TYR  75          1HB       TYR  75  -0.858  19.954   7.163
  607    HD1  TYR  75           1HD      TYR  75  -3.115  19.933   6.544
  608    HD2  TYR  75           2HD      TYR  75  -0.627  23.214   5.324
  609    HE1  TYR  75           1HE      TYR  75  -4.985  20.852   5.199
  610    HE2  TYR  75           2HE      TYR  75  -2.497  24.133   3.978
  611    HH   TYR  75           HH       TYR  75  -5.258  22.351   3.215
  612    H    ARG  76           H        ARG  76  -0.745  20.388  10.147
  613    HA   ARG  76           HA       ARG  76  -3.604  20.656  10.435
  614   1HB   ARG  76          2HB       ARG  76  -2.169  18.790  11.283
  615   2HB   ARG  76          1HB       ARG  76  -1.484  19.898  12.472
  616   1HG   ARG  76          2HG       ARG  76  -3.625  20.206  13.532
  617   2HG   ARG  76          1HG       ARG  76  -4.451  19.336  12.238
  618   1HD   ARG  76          2HD       ARG  76  -3.306  17.255  12.862
  619   2HD   ARG  76          1HD       ARG  76  -2.401  18.114  14.123
  620    HE   ARG  76           HE       ARG  76  -4.476  18.443  15.340
  621   1HH1  ARG  76          1HH2      ARG  76  -4.492  15.498  14.307
  622   2HH1  ARG  76          2HH2      ARG  76  -6.157  15.353  13.853
  623   1HH2  ARG  76          1HH1      ARG  76  -6.753  18.768  13.939
  624   2HH2  ARG  76          2HH1      ARG  76  -7.437  17.204  13.645
  625    H    ALA  77           H        ALA  77  -1.006  21.893  12.577
  626    HA   ALA  77           HA       ALA  77  -2.704  23.698  14.023
  627   1HB   ALA  77          1HB       ALA  77  -0.374  24.694  14.586
  628   2HB   ALA  77          2HB       ALA  77   0.261  23.389  13.585
  629   3HB   ALA  77          3HB       ALA  77  -0.675  23.014  15.031
  630    H    LYS  78           H        LYS  78  -0.147  24.476  11.695
  631    HA   LYS  78           HA       LYS  78  -1.279  27.159  11.228
  632   1HB   LYS  78          2HB       LYS  78   1.188  26.506  11.463
  633   2HB   LYS  78          1HB       LYS  78   1.050  25.796   9.855
  634   1HG   LYS  78          2HG       LYS  78   0.010  28.149   9.246
  635   2HG   LYS  78          1HG       LYS  78   0.907  28.677  10.671
  636   1HD   LYS  78          2HD       LYS  78   2.494  28.965   8.980
  637   2HD   LYS  78          1HD       LYS  78   2.891  27.352   9.575
  638   1HE   LYS  78          2HE       LYS  78   1.624  26.316   7.760
  639   2HE   LYS  78          1HE       LYS  78   1.084  27.910   7.194
  640   1HZ   LYS  78          1HZ       LYS  78   3.044  27.190   5.972
  641   2HZ   LYS  78          2HZ       LYS  78   3.910  27.012   7.423
  642   3HZ   LYS  78          3HZ       LYS  78   3.402  28.553   6.916
  Start of MODEL    9
    1   1H    MET   1          1HT       MET   1 -11.463  19.798   1.147
    2   2H    MET   1          2HT       MET   1 -10.203  19.131   2.071
    3   3H    MET   1          3HT       MET   1 -11.806  18.630   2.328
    4    HA   MET   1           HA       MET   1 -10.393  17.030   1.020
    5   1HB   MET   1          2HB       MET   1 -12.306  16.647  -0.539
    6   2HB   MET   1          1HB       MET   1 -12.843  16.993   1.102
    7   1HG   MET   1          2HG       MET   1 -12.512  19.332  -0.717
    8   2HG   MET   1          1HG       MET   1 -13.868  18.255  -1.047
    9   1HE   MET   1          1HE       MET   1 -15.058  21.536   0.933
   10   2HE   MET   1          2HE       MET   1 -15.069  20.721  -0.630
   11   3HE   MET   1          3HE       MET   1 -13.569  21.410  -0.013
   12    H    LYS   2           H        LYS   2  -8.889  19.369   0.489
   13    HA   LYS   2           HA       LYS   2  -8.499  19.092  -2.442
   14   1HB   LYS   2          2HB       LYS   2  -8.525  21.584  -2.670
   15   2HB   LYS   2          1HB       LYS   2 -10.087  20.933  -2.183
   16   1HG   LYS   2          2HG       LYS   2 -10.061  22.121  -0.267
   17   2HG   LYS   2          1HG       LYS   2  -8.469  21.497   0.159
   18   1HD   LYS   2          2HD       LYS   2  -7.365  23.220  -1.099
   19   2HD   LYS   2          1HD       LYS   2  -8.881  23.735  -1.839
   20   1HE   LYS   2          2HE       LYS   2  -8.625  25.327  -0.127
   21   2HE   LYS   2          1HE       LYS   2  -9.622  24.103   0.684
   22   1HZ   LYS   2          1HZ       LYS   2  -7.695  24.614   2.032
   23   2HZ   LYS   2          2HZ       LYS   2  -6.654  24.260   0.736
   24   3HZ   LYS   2          3HZ       LYS   2  -7.579  23.026   1.449
   25    H    LYS   3           H        LYS   3  -6.514  18.033  -1.684
   26    HA   LYS   3           HA       LYS   3  -4.565  19.472  -0.057
   27   1HB   LYS   3          2HB       LYS   3  -4.762  16.918  -1.609
   28   2HB   LYS   3          1HB       LYS   3  -3.154  17.491  -1.160
   29   1HG   LYS   3          2HG       LYS   3  -3.821  16.121   0.657
   30   2HG   LYS   3          1HG       LYS   3  -4.112  17.768   1.217
   31   1HD   LYS   3          2HD       LYS   3  -6.473  17.593   0.689
   32   2HD   LYS   3          1HD       LYS   3  -6.228  16.015  -0.060
   33   1HE   LYS   3          2HE       LYS   3  -5.902  14.939   1.994
   34   2HE   LYS   3          1HE       LYS   3  -5.412  16.437   2.810
   35   1HZ   LYS   3          1HZ       LYS   3  -7.683  15.877   3.398
   36   2HZ   LYS   3          2HZ       LYS   3  -8.125  15.827   1.758
   37   3HZ   LYS   3          3HZ       LYS   3  -7.659  17.297   2.471
   38    H    ASP   4           H        ASP   4  -2.535  20.322  -0.837
   39    HA   ASP   4           HA       ASP   4  -2.673  21.356  -3.634
   40   1HB   ASP   4          2HB       ASP   4  -1.560  22.206  -1.008
   41   2HB   ASP   4          1HB       ASP   4  -0.641  22.686  -2.435
   42    HA   PRO   5           HA       PRO   5   0.809  18.982  -4.919
   43   1HB   PRO   5          2HB       PRO   5   2.394  20.760  -6.268
   44   2HB   PRO   5          1HB       PRO   5   0.853  20.157  -6.912
   45   1HG   PRO   5          2HG       PRO   5   1.467  22.752  -5.592
   46   2HG   PRO   5          1HG       PRO   5   0.400  22.406  -6.961
   47   1HD   PRO   5          2HD       PRO   5  -0.497  22.832  -4.421
   48   2HD   PRO   5          1HD       PRO   5  -1.359  21.837  -5.615
   49    H    ASN   6           H        ASN   6   1.574  21.998  -3.245
   50    HA   ASN   6           HA       ASN   6   4.327  21.274  -2.598
   51   1HB   ASN   6          2HB       ASN   6   2.350  23.361  -1.636
   52   2HB   ASN   6          1HB       ASN   6   4.011  23.279  -1.046
   53   1HD2  ASN   6          1HD2      ASN   6   2.100  24.725  -3.410
   54   2HD2  ASN   6          2HD2      ASN   6   3.314  25.103  -4.532
   55    H    ALA   7           H        ALA   7   1.170  20.935  -1.056
   56    HA   ALA   7           HA       ALA   7   2.297  20.021   1.511
   57   1HB   ALA   7          1HB       ALA   7   0.221  21.383   1.281
   58   2HB   ALA   7          2HB       ALA   7  -0.082  19.850   2.097
   59   3HB   ALA   7          3HB       ALA   7  -0.530  20.049   0.404
   60    HA   PRO   8           HA       PRO   8   2.202  15.784   0.374
   61   1HB   PRO   8          2HB       PRO   8   2.142  14.622   2.834
   62   2HB   PRO   8          1HB       PRO   8   3.584  15.333   2.090
   63   1HG   PRO   8          2HG       PRO   8   2.003  16.304   4.312
   64   2HG   PRO   8          1HG       PRO   8   3.600  16.760   3.734
   65   1HD   PRO   8          2HD       PRO   8   1.138  18.176   3.352
   66   2HD   PRO   8          1HD       PRO   8   2.782  18.651   2.878
   67    H    LYS   9           H        LYS   9   0.640  14.229  -0.136
   68    HA   LYS   9           HA       LYS   9  -2.100  14.673   0.961
   69   1HB   LYS   9          2HB       LYS   9  -1.006  13.182  -1.446
   70   2HB   LYS   9          1HB       LYS   9  -2.721  13.321  -1.058
   71   1HG   LYS   9          2HG       LYS   9  -2.802  15.573  -1.585
   72   2HG   LYS   9          1HG       LYS   9  -1.100  15.832  -1.197
   73   1HD   LYS   9          2HD       LYS   9  -0.561  14.377  -3.230
   74   2HD   LYS   9          1HD       LYS   9  -2.264  14.535  -3.667
   75   1HE   LYS   9          2HE       LYS   9  -2.066  16.787  -4.177
   76   2HE   LYS   9          1HE       LYS   9  -0.747  17.038  -3.017
   77   1HZ   LYS   9          1HZ       LYS   9  -0.536  15.411  -5.496
   78   2HZ   LYS   9          2HZ       LYS   9   0.720  15.755  -4.404
   79   3HZ   LYS   9          3HZ       LYS   9   0.040  17.000  -5.338
   80    H    ARG  10           H        ARG  10  -3.367  12.398   0.886
   81    HA   ARG  10           HA       ARG  10  -2.564  10.824   3.059
   82   1HB   ARG  10          2HB       ARG  10  -4.210   9.195   2.151
   83   2HB   ARG  10          1HB       ARG  10  -4.806  10.851   2.063
   84   1HG   ARG  10          2HG       ARG  10  -3.773  10.840  -0.337
   85   2HG   ARG  10          1HG       ARG  10  -3.813   9.085  -0.164
   86   1HD   ARG  10          2HD       ARG  10  -6.218   9.119   0.223
   87   2HD   ARG  10          1HD       ARG  10  -6.224  10.894   0.231
   88    HE   ARG  10           HE       ARG  10  -5.016  10.224  -2.187
   89   1HH1  ARG  10          1HH2      ARG  10  -6.698   7.788  -2.232
   90   2HH1  ARG  10          2HH2      ARG  10  -8.164   8.348  -2.964
   91   1HH2  ARG  10          1HH1      ARG  10  -7.466  11.700  -2.423
   92   2HH2  ARG  10          2HH1      ARG  10  -8.599  10.564  -3.072
   93    HA   PRO  11           HA       PRO  11   0.829   8.583   1.174
   94   1HB   PRO  11          2HB       PRO  11   1.421   6.956   3.288
   95   2HB   PRO  11          1HB       PRO  11   1.896   8.664   3.223
   96   1HG   PRO  11          2HG       PRO  11  -0.336   7.375   4.695
   97   2HG   PRO  11          1HG       PRO  11   0.694   8.734   5.165
   98   1HD   PRO  11          2HD       PRO  11  -1.871   8.986   4.217
   99   2HD   PRO  11          1HD       PRO  11  -0.636  10.261   4.126
  100    HA   PRO  12           HA       PRO  12  -0.863   4.731  -0.158
  101   1HB   PRO  12          2HB       PRO  12   1.241   2.972  -0.050
  102   2HB   PRO  12          1HB       PRO  12   1.102   4.244  -1.279
  103   1HG   PRO  12          2HG       PRO  12   2.707   4.203   1.232
  104   2HG   PRO  12          1HG       PRO  12   3.144   4.802  -0.376
  105   1HD   PRO  12          2HD       PRO  12   2.400   6.443   1.640
  106   2HD   PRO  12          1HD       PRO  12   2.067   6.808  -0.069
  107    H    SER  13           H        SER  13  -0.342   2.073   0.659
  108    HA   SER  13           HA       SER  13  -0.301   1.785   3.546
  109   1HB   SER  13          2HB       SER  13  -2.448   2.925   3.310
  110   2HB   SER  13          1HB       SER  13  -2.958   1.766   2.085
  111    HG   SER  13           HG       SER  13  -2.790   1.519   4.844
  112    H    ALA  14           H        ALA  14   1.075   0.338   1.551
  113    HA   ALA  14           HA       ALA  14   1.615  -1.891   1.083
  114   1HB   ALA  14          1HB       ALA  14   0.136  -2.041   3.417
  115   2HB   ALA  14          2HB       ALA  14   0.935  -3.408   2.641
  116   3HB   ALA  14          3HB       ALA  14  -0.772  -3.091   2.328
  117    H    PHE  15           H        PHE  15  -1.983  -2.011   1.163
  118    HA   PHE  15           HA       PHE  15  -2.234  -3.401  -1.305
  119   1HB   PHE  15          2HB       PHE  15  -3.990  -3.154   0.428
  120   2HB   PHE  15          1HB       PHE  15  -4.123  -1.438   0.043
  121    HD1  PHE  15           1HD      PHE  15  -3.891  -4.584  -2.005
  122    HD2  PHE  15           2HD      PHE  15  -6.051  -0.965  -1.175
  123    HE1  PHE  15           1HE      PHE  15  -5.472  -5.107  -3.842
  124    HE2  PHE  15           2HE      PHE  15  -7.634  -1.489  -3.011
  125    HZ   PHE  15           HZ       PHE  15  -7.345  -3.560  -4.347
  126    H    PHE  16           H        PHE  16  -1.699   0.005  -0.649
  127    HA   PHE  16           HA       PHE  16  -2.556   0.974  -3.249
  128   1HB   PHE  16          2HB       PHE  16  -2.211   2.167  -0.933
  129   2HB   PHE  16          1HB       PHE  16  -0.537   2.324  -1.464
  130    HD1  PHE  16           1HD      PHE  16  -3.952   3.502  -1.892
  131    HD2  PHE  16           2HD      PHE  16  -0.013   3.523  -3.606
  132    HE1  PHE  16           1HE      PHE  16  -4.581   5.435  -3.312
  133    HE2  PHE  16           2HE      PHE  16  -0.642   5.456  -5.027
  134    HZ   PHE  16           HZ       PHE  16  -2.926   6.412  -4.880
  135    H    LEU  17           H        LEU  17   0.501  -0.196  -1.900
  136    HA   LEU  17           HA       LEU  17   2.214   0.644  -4.071
  137   1HB   LEU  17          2HB       LEU  17   2.248  -1.461  -1.910
  138   2HB   LEU  17          1HB       LEU  17   3.502  -1.474  -3.145
  139    HG   LEU  17           HG       LEU  17   4.227  -0.203  -1.158
  140   1HD1  LEU  17          1HD1      LEU  17   5.106   1.654  -2.316
  141   2HD1  LEU  17          2HD1      LEU  17   3.684   1.794  -3.350
  142   3HD1  LEU  17          3HD1      LEU  17   4.816   0.462  -3.582
  143   1HD2  LEU  17          1HD2      LEU  17   1.928   0.531  -0.481
  144   2HD2  LEU  17          2HD2      LEU  17   1.939   1.675  -1.822
  145   3HD2  LEU  17          3HD2      LEU  17   3.096   1.852  -0.504
  146    H    PHE  18           H        PHE  18   1.370  -2.708  -3.359
  147    HA   PHE  18           HA       PHE  18   1.678  -4.055  -5.701
  148   1HB   PHE  18          2HB       PHE  18   0.802  -5.033  -3.651
  149   2HB   PHE  18          1HB       PHE  18  -0.708  -4.142  -3.827
  150    HD1  PHE  18           1HD      PHE  18   1.398  -6.815  -5.346
  151    HD2  PHE  18           2HD      PHE  18  -2.469  -4.951  -5.206
  152    HE1  PHE  18           1HE      PHE  18   0.452  -8.675  -6.689
  153    HE2  PHE  18           2HE      PHE  18  -3.413  -6.808  -6.546
  154    HZ   PHE  18           HZ       PHE  18  -1.958  -8.673  -7.287
  155    H    CYS  19           H        CYS  19  -1.464  -2.351  -5.036
  156    HA   CYS  19           HA       CYS  19  -2.513  -2.719  -7.664
  157   1HB   CYS  19          2HB       CYS  19  -3.785  -2.097  -5.618
  158   2HB   CYS  19          1HB       CYS  19  -3.009  -0.515  -5.634
  159    HG   CYS  19           HG       CYS  19  -4.366  -1.008  -8.287
  160    H    SER  20           H        SER  20  -0.728   0.022  -6.239
  161    HA   SER  20           HA       SER  20  -0.818   1.808  -8.433
  162   1HB   SER  20          2HB       SER  20  -0.004   2.443  -6.243
  163   2HB   SER  20          1HB       SER  20   1.303   1.267  -6.336
  164    HG   SER  20           HG       SER  20   2.303   3.022  -7.032
  165    H    GLU  21           H        GLU  21   1.278  -1.012  -7.910
  166    HA   GLU  21           HA       GLU  21   2.897  -0.344 -10.293
  167   1HB   GLU  21          2HB       GLU  21   4.189  -2.329  -9.571
  168   2HB   GLU  21          1HB       GLU  21   3.943  -1.201  -8.240
  169   1HG   GLU  21          2HG       GLU  21   2.319  -2.568  -7.219
  170   2HG   GLU  21          1HG       GLU  21   2.029  -3.483  -8.696
  171    H    HIS  22           H        HIS  22   0.210  -2.486  -9.435
  172    HA   HIS  22           HA       HIS  22   0.515  -3.957 -12.010
  173   1HB   HIS  22          2HB       HIS  22  -1.112  -4.324  -9.482
  174   2HB   HIS  22          1HB       HIS  22  -1.332  -5.338 -10.906
  175    HD1  HIS  22           1HD      HIS  22   1.124  -6.377 -11.810
  176    HD2  HIS  22           2HD      HIS  22   0.775  -5.370  -7.780
  177    HE1  HIS  22           1HE      HIS  22   2.957  -7.634 -10.597
  178    H    ARG  23           H        ARG  23  -0.648  -1.066 -11.487
  179    HA   ARG  23           HA       ARG  23  -3.448  -1.403 -12.323
  180   1HB   ARG  23          2HB       ARG  23  -2.675   0.304 -10.684
  181   2HB   ARG  23          1HB       ARG  23  -1.754   1.086 -11.963
  182   1HG   ARG  23          2HG       ARG  23  -3.898   1.303 -13.271
  183   2HG   ARG  23          1HG       ARG  23  -4.755   0.721 -11.843
  184   1HD   ARG  23          2HD       ARG  23  -2.886   3.102 -11.729
  185   2HD   ARG  23          1HD       ARG  23  -4.619   3.268 -12.071
  186    HE   ARG  23           HE       ARG  23  -3.879   1.664  -9.694
  187   1HH1  ARG  23          1HH2      ARG  23  -3.783   4.913 -10.290
  188   2HH1  ARG  23          2HH2      ARG  23  -5.032   5.360  -9.177
  189   1HH2  ARG  23          1HH1      ARG  23  -6.038   2.095  -8.584
  190   2HH2  ARG  23          2HH1      ARG  23  -6.309   3.764  -8.211
  191    HA   PRO  24           HA       PRO  24  -1.746   0.544 -16.320
  192   1HB   PRO  24          2HB       PRO  24   0.944   0.530 -16.793
  193   2HB   PRO  24          1HB       PRO  24   0.115   1.867 -15.973
  194   1HG   PRO  24          2HG       PRO  24   1.788  -0.298 -14.845
  195   2HG   PRO  24          1HG       PRO  24   1.590   1.378 -14.311
  196   1HD   PRO  24          2HD       PRO  24   0.404  -0.832 -13.142
  197   2HD   PRO  24          1HD       PRO  24  -0.129   0.848 -12.943
  198    H    LYS  25           H        LYS  25  -0.643  -2.388 -14.914
  199    HA   LYS  25           HA       LYS  25   0.199  -3.677 -17.416
  200   1HB   LYS  25          2HB       LYS  25   1.105  -4.154 -15.113
  201   2HB   LYS  25          1HB       LYS  25  -0.467  -4.832 -14.689
  202   1HG   LYS  25          2HG       LYS  25  -0.255  -6.503 -16.470
  203   2HG   LYS  25          1HG       LYS  25   1.288  -5.805 -16.963
  204   1HD   LYS  25          2HD       LYS  25   1.879  -6.202 -14.395
  205   2HD   LYS  25          1HD       LYS  25   0.633  -7.441 -14.548
  206   1HE   LYS  25          2HE       LYS  25   2.506  -8.664 -15.208
  207   2HE   LYS  25          1HE       LYS  25   2.005  -8.012 -16.781
  208   1HZ   LYS  25          1HZ       LYS  25   4.361  -7.559 -16.294
  209   2HZ   LYS  25          2HZ       LYS  25   3.898  -6.680 -14.917
  210   3HZ   LYS  25          3HZ       LYS  25   3.456  -6.134 -16.464
  211    H    ILE  26           H        ILE  26  -2.662  -3.562 -15.330
  212    HA   ILE  26           HA       ILE  26  -4.132  -5.649 -16.720
  213    HB   ILE  26           HB       ILE  26  -5.019  -3.362 -14.923
  214   1HG1  ILE  26          2HG1      ILE  26  -3.340  -4.822 -13.860
  215   2HG1  ILE  26          1HG1      ILE  26  -4.922  -5.058 -13.124
  216   1HG2  ILE  26          1HG2      ILE  26  -7.024  -4.124 -15.814
  217   2HG2  ILE  26          2HG2      ILE  26  -6.846  -5.214 -14.439
  218   3HG2  ILE  26          3HG2      ILE  26  -6.414  -5.761 -16.059
  219   1HD1  ILE  26          1HD1      ILE  26  -3.563  -6.851 -15.156
  220   2HD1  ILE  26          2HD1      ILE  26  -5.250  -7.032 -14.675
  221   3HD1  ILE  26          3HD1      ILE  26  -3.967  -7.245 -13.485
  222    H    LYS  27           H        LYS  27  -3.446  -2.339 -17.463
  223    HA   LYS  27           HA       LYS  27  -5.879  -1.819 -19.005
  224   1HB   LYS  27          2HB       LYS  27  -3.232  -0.483 -18.488
  225   2HB   LYS  27          1HB       LYS  27  -4.307   0.140 -19.741
  226   1HG   LYS  27          2HG       LYS  27  -6.146   0.234 -18.039
  227   2HG   LYS  27          1HG       LYS  27  -4.970  -0.226 -16.807
  228   1HD   LYS  27          2HD       LYS  27  -3.681   1.775 -17.179
  229   2HD   LYS  27          1HD       LYS  27  -4.635   2.190 -18.604
  230   1HE   LYS  27          2HE       LYS  27  -6.523   2.789 -17.324
  231   2HE   LYS  27          1HE       LYS  27  -5.961   1.879 -15.907
  232   1HZ   LYS  27          1HZ       LYS  27  -5.536   4.261 -15.657
  233   2HZ   LYS  27          2HZ       LYS  27  -4.604   4.252 -17.077
  234   3HZ   LYS  27          3HZ       LYS  27  -4.087   3.381 -15.712
  235    H    SER  28           H        SER  28  -2.871  -3.439 -19.620
  236    HA   SER  28           HA       SER  28  -2.769  -2.954 -22.492
  237   1HB   SER  28          2HB       SER  28  -0.834  -3.532 -21.011
  238   2HB   SER  28          1HB       SER  28  -1.530  -5.133 -20.779
  239    HG   SER  28           HG       SER  28  -0.111  -5.304 -22.459
  240    H    GLU  29           H        GLU  29  -3.833  -5.686 -20.442
  241    HA   GLU  29           HA       GLU  29  -4.896  -7.114 -22.812
  242   1HB   GLU  29          2HB       GLU  29  -4.571  -7.717 -19.865
  243   2HB   GLU  29          1HB       GLU  29  -5.377  -8.830 -20.973
  244   1HG   GLU  29          2HG       GLU  29  -3.246  -8.581 -22.435
  245   2HG   GLU  29          1HG       GLU  29  -2.498  -7.936 -20.974
  246    H    HIS  30           H        HIS  30  -6.096  -4.635 -21.002
  247    HA   HIS  30           HA       HIS  30  -8.898  -5.465 -21.514
  248   1HB   HIS  30          2HB       HIS  30  -7.875  -4.563 -18.799
  249   2HB   HIS  30          1HB       HIS  30  -9.551  -4.923 -19.197
  250    HD1  HIS  30           1HD      HIS  30 -10.242  -7.392 -19.366
  251    HD2  HIS  30           2HD      HIS  30  -6.174  -6.870 -18.646
  252    HE1  HIS  30           1HE      HIS  30  -9.328  -9.673 -18.751
  253    HA   PRO  31           HA       PRO  31  -7.926  -1.037 -22.487
  254   1HB   PRO  31          2HB       PRO  31  -9.463  -0.962 -24.761
  255   2HB   PRO  31          1HB       PRO  31  -7.767  -1.492 -24.752
  256   1HG   PRO  31          2HG       PRO  31 -10.261  -3.138 -24.717
  257   2HG   PRO  31          1HG       PRO  31  -8.774  -3.369 -25.654
  258   1HD   PRO  31          2HD       PRO  31  -9.274  -4.795 -23.426
  259   2HD   PRO  31          1HD       PRO  31  -7.628  -4.285 -23.867
  260    H    GLY  32           H        GLY  32  -9.149   0.116 -21.027
  261   1HA   GLY  32          2HA       GLY  32 -11.214   1.455 -20.778
  262   2HA   GLY  32          1HA       GLY  32 -12.118   0.060 -21.365
  263    H    LEU  33           H        LEU  33 -10.187  -1.635 -19.594
  264    HA   LEU  33           HA       LEU  33 -11.854  -2.240 -17.453
  265   1HB   LEU  33          2HB       LEU  33  -9.483  -3.100 -18.401
  266   2HB   LEU  33          1HB       LEU  33  -8.916  -2.255 -16.965
  267    HG   LEU  33           HG       LEU  33  -9.372  -4.631 -16.474
  268   1HD1  LEU  33          1HD1      LEU  33 -10.408  -4.240 -14.439
  269   2HD1  LEU  33          2HD1      LEU  33 -11.602  -3.146 -15.135
  270   3HD1  LEU  33          3HD1      LEU  33  -9.943  -2.600 -14.887
  271   1HD2  LEU  33          1HD2      LEU  33 -12.308  -4.133 -16.874
  272   2HD2  LEU  33          2HD2      LEU  33 -11.433  -5.665 -16.844
  273   3HD2  LEU  33          3HD2      LEU  33 -11.317  -4.609 -18.253
  274    H    SER  34           H        SER  34 -12.718  -0.782 -16.077
  275    HA   SER  34           HA       SER  34 -11.351   1.617 -15.158
  276   1HB   SER  34          2HB       SER  34 -13.445   1.507 -13.574
  277   2HB   SER  34          1HB       SER  34 -13.693   1.755 -15.297
  278    HG   SER  34           HG       SER  34 -15.008   0.078 -14.337
  279    H    ILE  35           H        ILE  35 -11.843   1.727 -12.445
  280    HA   ILE  35           HA       ILE  35  -9.772  -0.083 -11.371
  281    HB   ILE  35           HB       ILE  35 -11.389   2.172 -10.137
  282   1HG1  ILE  35          2HG1      ILE  35 -10.037   2.923 -12.061
  283   2HG1  ILE  35          1HG1      ILE  35  -9.367   3.539 -10.552
  284   1HG2  ILE  35          1HG2      ILE  35 -10.510   0.994  -8.313
  285   2HG2  ILE  35          2HG2      ILE  35  -9.253   2.190  -8.630
  286   3HG2  ILE  35          3HG2      ILE  35  -9.052   0.530  -9.191
  287   1HD1  ILE  35          1HD1      ILE  35  -8.366   1.134 -12.109
  288   2HD1  ILE  35          2HD1      ILE  35  -7.736   1.648 -10.545
  289   3HD1  ILE  35          3HD1      ILE  35  -7.554   2.691 -11.955
  290    H    GLY  36           H        GLY  36 -12.870  -0.746 -11.974
  291   1HA   GLY  36          2HA       GLY  36 -13.681  -1.689  -9.298
  292   2HA   GLY  36          1HA       GLY  36 -14.644  -1.803 -10.771
  293    H    ASP  37           H        ASP  37 -13.438  -3.248 -12.520
  294    HA   ASP  37           HA       ASP  37 -13.332  -5.929 -11.496
  295   1HB   ASP  37          2HB       ASP  37 -12.508  -4.582 -14.078
  296   2HB   ASP  37          1HB       ASP  37 -12.383  -6.327 -13.856
  297    H    THR  38           H        THR  38 -10.747  -3.694 -12.567
  298    HA   THR  38           HA       THR  38  -8.530  -5.434 -12.134
  299    HB   THR  38           HB       THR  38  -8.949  -2.431 -12.138
  300    HG1  THR  38           1HG      THR  38  -7.894  -2.669 -14.126
  301   1HG2  THR  38          1HG2      THR  38  -6.265  -3.849 -12.057
  302   2HG2  THR  38          2HG2      THR  38  -6.962  -2.966 -10.698
  303   3HG2  THR  38          3HG2      THR  38  -6.530  -2.109 -12.178
  304    H    ALA  39           H        ALA  39 -10.356  -3.369  -9.911
  305    HA   ALA  39           HA       ALA  39  -8.554  -3.620  -7.650
  306   1HB   ALA  39          1HB       ALA  39 -10.109  -1.807  -7.716
  307   2HB   ALA  39          2HB       ALA  39 -10.706  -2.876  -6.447
  308   3HB   ALA  39          3HB       ALA  39 -11.466  -2.887  -8.038
  309    H    LYS  40           H        LYS  40 -11.174  -5.572  -8.953
  310    HA   LYS  40           HA       LYS  40 -11.468  -7.254  -6.571
  311   1HB   LYS  40          2HB       LYS  40 -12.440  -7.278  -9.434
  312   2HB   LYS  40          1HB       LYS  40 -12.787  -8.619  -8.342
  313   1HG   LYS  40          2HG       LYS  40 -13.739  -6.938  -6.716
  314   2HG   LYS  40          1HG       LYS  40 -13.568  -5.716  -7.976
  315   1HD   LYS  40          2HD       LYS  40 -15.103  -6.856  -9.418
  316   2HD   LYS  40          1HD       LYS  40 -15.088  -8.297  -8.401
  317   1HE   LYS  40          2HE       LYS  40 -16.067  -6.880  -6.534
  318   2HE   LYS  40          1HE       LYS  40 -16.291  -5.592  -7.735
  319   1HZ   LYS  40          1HZ       LYS  40 -17.307  -8.374  -7.989
  320   2HZ   LYS  40          2HZ       LYS  40 -17.523  -7.128  -9.123
  321   3HZ   LYS  40          3HZ       LYS  40 -18.252  -7.024  -7.591
  322    H    LYS  41           H        LYS  41  -9.617  -7.305  -9.566
  323    HA   LYS  41           HA       LYS  41  -8.716 -10.090  -9.195
  324   1HB   LYS  41          2HB       LYS  41  -8.384  -7.860 -11.173
  325   2HB   LYS  41          1HB       LYS  41  -7.229  -9.192 -11.203
  326   1HG   LYS  41          2HG       LYS  41  -8.998 -10.810 -11.512
  327   2HG   LYS  41          1HG       LYS  41 -10.233  -9.574 -11.269
  328   1HD   LYS  41          2HD       LYS  41 -10.134  -9.757 -13.611
  329   2HD   LYS  41          1HD       LYS  41  -9.096  -8.370 -13.279
  330   1HE   LYS  41          2HE       LYS  41  -7.137 -10.030 -13.214
  331   2HE   LYS  41          1HE       LYS  41  -8.256 -11.204 -13.936
  332   1HZ   LYS  41          1HZ       LYS  41  -7.691  -8.488 -15.004
  333   2HZ   LYS  41          2HZ       LYS  41  -8.748  -9.628 -15.689
  334   3HZ   LYS  41          3HZ       LYS  41  -7.077  -9.934 -15.643
  335    H    LEU  42           H        LEU  42  -7.607  -6.859  -8.422
  336    HA   LEU  42           HA       LEU  42  -4.805  -7.604  -7.999
  337   1HB   LEU  42          2HB       LEU  42  -6.563  -5.235  -7.887
  338   2HB   LEU  42          1HB       LEU  42  -5.249  -5.212  -6.717
  339    HG   LEU  42           HG       LEU  42  -3.645  -5.702  -8.562
  340   1HD1  LEU  42          1HD1      LEU  42  -5.600  -6.686 -10.000
  341   2HD1  LEU  42          2HD1      LEU  42  -4.308  -5.800 -10.810
  342   3HD1  LEU  42          3HD1      LEU  42  -5.851  -5.010 -10.489
  343   1HD2  LEU  42          1HD2      LEU  42  -4.398  -3.366  -7.761
  344   2HD2  LEU  42          2HD2      LEU  42  -5.305  -3.288  -9.271
  345   3HD2  LEU  42          3HD2      LEU  42  -3.550  -3.463  -9.304
  346    H    GLY  43           H        GLY  43  -7.313  -6.351  -5.756
  347   1HA   GLY  43          2HA       GLY  43  -6.015  -6.959  -3.341
  348   2HA   GLY  43          1HA       GLY  43  -7.773  -6.904  -3.512
  349    H    GLU  44           H        GLU  44  -7.697  -9.106  -5.539
  350    HA   GLU  44           HA       GLU  44  -7.903 -11.361  -3.703
  351   1HB   GLU  44          2HB       GLU  44  -9.267 -10.944  -5.799
  352   2HB   GLU  44          1HB       GLU  44  -7.820 -11.298  -6.742
  353   1HG   GLU  44          2HG       GLU  44  -7.716 -13.513  -5.433
  354   2HG   GLU  44          1HG       GLU  44  -9.372 -13.158  -4.938
  355    H    MET  45           H        MET  45  -5.584 -10.216  -6.137
  356    HA   MET  45           HA       MET  45  -3.800 -12.517  -5.852
  357   1HB   MET  45          2HB       MET  45  -3.770  -9.827  -7.223
  358   2HB   MET  45          1HB       MET  45  -2.319 -10.829  -7.187
  359   1HG   MET  45          2HG       MET  45  -3.435 -12.629  -8.325
  360   2HG   MET  45          1HG       MET  45  -5.004 -11.845  -8.148
  361   1HE   MET  45          1HE       MET  45  -1.625 -10.974 -11.068
  362   2HE   MET  45          2HE       MET  45  -1.802 -12.285  -9.905
  363   3HE   MET  45          3HE       MET  45  -1.347 -10.677  -9.347
  364    H    TRP  46           H        TRP  46  -3.883  -9.130  -4.719
  365    HA   TRP  46           HA       TRP  46  -1.382  -8.928  -3.418
  366   1HB   TRP  46          2HB       TRP  46  -2.939  -7.079  -3.719
  367   2HB   TRP  46          1HB       TRP  46  -4.137  -7.855  -2.692
  368    HD1  TRP  46           HD       TRP  46  -4.190  -6.736  -0.404
  369    HE1  TRP  46           1HE      TRP  46  -2.447  -5.717   1.200
  370    HE3  TRP  46           3HE      TRP  46   0.024  -7.403  -3.172
  371    HZ2  TRP  46           2HZ      TRP  46   0.380  -5.249   1.286
  372    HZ3  TRP  46           3HZ      TRP  46   2.231  -6.669  -2.321
  373    HH2  TRP  46           HH       TRP  46   2.412  -5.597  -0.098
  374    H    SER  47           H        SER  47  -4.481 -10.131  -2.070
  375    HA   SER  47           HA       SER  47  -3.448 -10.880   0.499
  376   1HB   SER  47          2HB       SER  47  -5.875 -11.179  -1.124
  377   2HB   SER  47          1HB       SER  47  -5.596 -12.554  -0.062
  378    HG   SER  47           HG       SER  47  -6.530 -11.216   1.306
  379    H    GLU  48           H        GLU  48  -2.857 -12.255  -2.590
  380    HA   GLU  48           HA       GLU  48  -2.263 -14.937  -1.466
  381   1HB   GLU  48          2HB       GLU  48  -2.883 -13.755  -4.164
  382   2HB   GLU  48          1HB       GLU  48  -2.059 -15.309  -4.056
  383   1HG   GLU  48          2HG       GLU  48  -3.939 -16.004  -2.440
  384   2HG   GLU  48          1HG       GLU  48  -4.799 -14.578  -3.023
  385    H    GLN  49           H        GLN  49  -0.731 -11.978  -2.444
  386    HA   GLN  49           HA       GLN  49   1.702 -12.969  -3.554
  387   1HB   GLN  49          2HB       GLN  49   1.073 -10.524  -1.858
  388   2HB   GLN  49          1HB       GLN  49   2.563 -10.738  -2.772
  389   1HG   GLN  49          2HG       GLN  49  -0.230 -10.647  -3.941
  390   2HG   GLN  49          1HG       GLN  49   0.962  -9.358  -4.029
  391   1HE2  GLN  49          1HE2      GLN  49  -0.274 -10.960  -6.272
  392   2HE2  GLN  49          2HE2      GLN  49   1.037 -11.641  -7.105
  393    H    SER  50           H        SER  50   3.618 -13.602  -2.551
  394    HA   SER  50           HA       SER  50   3.421 -14.442   0.285
  395   1HB   SER  50          2HB       SER  50   5.375 -15.782  -0.306
  396   2HB   SER  50          1HB       SER  50   4.191 -15.937  -1.602
  397    HG   SER  50           HG       SER  50   6.614 -15.291  -1.948
  398    H    ALA  51           H        ALA  51   6.424 -14.242   0.529
  399    HA   ALA  51           HA       ALA  51   6.528 -11.496   1.537
  400   1HB   ALA  51          1HB       ALA  51   8.827 -12.271   2.225
  401   2HB   ALA  51          2HB       ALA  51   8.517 -13.785   1.375
  402   3HB   ALA  51          3HB       ALA  51   7.532 -13.337   2.768
  403    H    LYS  52           H        LYS  52   7.098 -12.868  -1.535
  404    HA   LYS  52           HA       LYS  52   9.393 -11.224  -2.301
  405   1HB   LYS  52          2HB       LYS  52   8.333 -13.526  -3.189
  406   2HB   LYS  52          1HB       LYS  52   7.494 -12.418  -4.276
  407   1HG   LYS  52          2HG       LYS  52   9.498 -12.988  -5.420
  408   2HG   LYS  52          1HG       LYS  52   9.802 -11.388  -4.741
  409   1HD   LYS  52          2HD       LYS  52  11.738 -12.585  -4.149
  410   2HD   LYS  52          1HD       LYS  52  10.747 -12.690  -2.693
  411   1HE   LYS  52          2HE       LYS  52  10.066 -14.930  -3.196
  412   2HE   LYS  52          1HE       LYS  52  10.695 -14.820  -4.853
  413   1HZ   LYS  52          1HZ       LYS  52  12.318 -14.597  -2.371
  414   2HZ   LYS  52          2HZ       LYS  52  12.912 -14.479  -3.959
  415   3HZ   LYS  52          3HZ       LYS  52  12.272 -15.949  -3.395
  416    H    ASP  53           H        ASP  53   5.869 -11.149  -2.890
  417    HA   ASP  53           HA       ASP  53   6.157  -8.315  -3.841
  418   1HB   ASP  53          2HB       ASP  53   4.667 -10.701  -4.757
  419   2HB   ASP  53          1HB       ASP  53   3.730  -9.207  -4.743
  420    H    LYS  54           H        LYS  54   6.057  -8.474  -1.200
  421    HA   LYS  54           HA       LYS  54   3.533  -7.247  -0.467
  422   1HB   LYS  54          2HB       LYS  54   3.513  -9.964  -0.570
  423   2HB   LYS  54          1HB       LYS  54   3.986  -9.705   1.103
  424   1HG   LYS  54          2HG       LYS  54   2.011  -8.035   1.197
  425   2HG   LYS  54          1HG       LYS  54   1.491  -8.762  -0.317
  426   1HD   LYS  54          2HD       LYS  54   0.352  -9.871   1.521
  427   2HD   LYS  54          1HD       LYS  54   1.494 -10.994   0.783
  428   1HE   LYS  54          2HE       LYS  54   2.936 -10.941   2.613
  429   2HE   LYS  54          1HE       LYS  54   2.428  -9.309   3.091
  430   1HZ   LYS  54          1HZ       LYS  54   1.408 -10.838   4.587
  431   2HZ   LYS  54          2HZ       LYS  54   0.853 -11.817   3.315
  432   3HZ   LYS  54          3HZ       LYS  54   0.194 -10.269   3.550
  433    H    GLN  55           H        GLN  55   6.599  -8.678   0.599
  434    HA   GLN  55           HA       GLN  55   6.554  -7.460   3.243
  435   1HB   GLN  55          2HB       GLN  55   8.424  -9.007   1.512
  436   2HB   GLN  55          1HB       GLN  55   9.129  -8.096   2.845
  437   1HG   GLN  55          2HG       GLN  55   6.801 -10.008   3.165
  438   2HG   GLN  55          1HG       GLN  55   8.483 -10.459   3.445
  439   1HE2  GLN  55          1HE2      GLN  55   5.746  -9.345   5.039
  440   2HE2  GLN  55          2HE2      GLN  55   6.495  -8.631   6.384
  441    HA   PRO  56           HA       PRO  56   9.609  -4.337   1.315
  442   1HB   PRO  56          2HB       PRO  56   9.828  -4.188  -1.406
  443   2HB   PRO  56          1HB       PRO  56  10.851  -5.238  -0.404
  444   1HG   PRO  56          2HG       PRO  56   8.478  -5.924  -2.054
  445   2HG   PRO  56          1HG       PRO  56   9.965  -6.842  -1.775
  446   1HD   PRO  56          2HD       PRO  56   7.586  -7.366  -0.544
  447   2HD   PRO  56          1HD       PRO  56   9.170  -7.791   0.138
  448    H    TYR  57           H        TYR  57   6.452  -4.979   0.083
  449    HA   TYR  57           HA       TYR  57   6.016  -2.265  -0.984
  450   1HB   TYR  57          2HB       TYR  57   4.394  -4.786  -0.622
  451   2HB   TYR  57          1HB       TYR  57   3.637  -3.281  -1.150
  452    HD1  TYR  57           1HD      TYR  57   5.420  -2.008  -2.943
  453    HD2  TYR  57           2HD      TYR  57   4.777  -6.222  -2.416
  454    HE1  TYR  57           1HE      TYR  57   6.223  -2.419  -5.252
  455    HE2  TYR  57           2HE      TYR  57   5.580  -6.631  -4.727
  456    HH   TYR  57           HH       TYR  57   7.357  -4.687  -6.425
  457    H    GLU  58           H        GLU  58   5.132  -4.162   1.903
  458    HA   GLU  58           HA       GLU  58   3.398  -2.116   3.020
  459   1HB   GLU  58          2HB       GLU  58   3.550  -3.574   5.034
  460   2HB   GLU  58          1HB       GLU  58   3.199  -4.495   3.574
  461   1HG   GLU  58          2HG       GLU  58   5.127  -5.665   3.727
  462   2HG   GLU  58          1HG       GLU  58   6.075  -4.212   4.031
  463    H    GLN  59           H        GLN  59   6.848  -2.674   3.016
  464    HA   GLN  59           HA       GLN  59   7.462  -1.057   5.365
  465   1HB   GLN  59          2HB       GLN  59   8.963  -2.260   3.040
  466   2HB   GLN  59          1HB       GLN  59   9.784  -1.180   4.169
  467   1HG   GLN  59          2HG       GLN  59   9.521  -2.642   5.968
  468   2HG   GLN  59          1HG       GLN  59   8.141  -3.458   5.233
  469   1HE2  GLN  59          1HE2      GLN  59  11.492  -2.788   4.053
  470   2HE2  GLN  59          2HE2      GLN  59  11.821  -4.400   3.640
  471    H    LYS  60           H        LYS  60   8.313  -0.491   1.931
  472    HA   LYS  60           HA       LYS  60   8.980   2.195   1.986
  473   1HB   LYS  60          2HB       LYS  60   8.923   0.472   0.084
  474   2HB   LYS  60          1HB       LYS  60   7.248   0.965  -0.164
  475   1HG   LYS  60          2HG       LYS  60   8.111   3.362  -0.306
  476   2HG   LYS  60          1HG       LYS  60   9.733   2.674  -0.394
  477   1HD   LYS  60          2HD       LYS  60   8.637   1.177  -2.288
  478   2HD   LYS  60          1HD       LYS  60   7.500   2.523  -2.384
  479   1HE   LYS  60          2HE       LYS  60  10.471   3.056  -2.372
  480   2HE   LYS  60          1HE       LYS  60   9.636   2.629  -3.880
  481   1HZ   LYS  60          1HZ       LYS  60   8.007   4.370  -3.410
  482   2HZ   LYS  60          2HZ       LYS  60   9.573   5.016  -3.541
  483   3HZ   LYS  60          3HZ       LYS  60   8.862   4.809  -2.012
  484    H    ALA  61           H        ALA  61   5.722   0.873   2.253
  485    HA   ALA  61           HA       ALA  61   4.456   3.527   1.901
  486   1HB   ALA  61          1HB       ALA  61   2.506   2.282   1.683
  487   2HB   ALA  61          2HB       ALA  61   3.028   1.077   2.860
  488   3HB   ALA  61          3HB       ALA  61   3.686   1.055   1.225
  489    H    ALA  62           H        ALA  62   5.129   1.128   4.420
  490    HA   ALA  62           HA       ALA  62   3.687   2.288   6.584
  491   1HB   ALA  62          1HB       ALA  62   6.176   0.603   6.311
  492   2HB   ALA  62          2HB       ALA  62   4.570   0.110   6.846
  493   3HB   ALA  62          3HB       ALA  62   5.588   1.091   7.900
  494    H    LYS  63           H        LYS  63   7.103   2.788   5.601
  495    HA   LYS  63           HA       LYS  63   7.720   4.745   7.613
  496   1HB   LYS  63          2HB       LYS  63   9.266   3.358   6.117
  497   2HB   LYS  63          1HB       LYS  63   8.902   4.510   4.832
  498   1HG   LYS  63          2HG       LYS  63  10.794   5.498   5.730
  499   2HG   LYS  63          1HG       LYS  63   9.548   6.281   6.704
  500   1HD   LYS  63          2HD       LYS  63  11.161   5.513   8.275
  501   2HD   LYS  63          1HD       LYS  63   9.847   4.339   8.357
  502   1HE   LYS  63          2HE       LYS  63  11.108   2.891   6.732
  503   2HE   LYS  63          1HE       LYS  63  12.466   4.029   6.848
  504   1HZ   LYS  63          1HZ       LYS  63  11.173   2.671   9.155
  505   2HZ   LYS  63          2HZ       LYS  63  12.498   3.730   9.231
  506   3HZ   LYS  63          3HZ       LYS  63  12.658   2.219   8.473
  507    H    LEU  64           H        LEU  64   7.052   5.203   4.120
  508    HA   LEU  64           HA       LEU  64   6.925   8.005   4.023
  509   1HB   LEU  64          2HB       LEU  64   5.573   5.748   2.565
  510   2HB   LEU  64          1HB       LEU  64   5.144   7.413   2.169
  511    HG   LEU  64           HG       LEU  64   7.997   6.396   2.227
  512   1HD1  LEU  64          1HD1      LEU  64   6.291   5.414   0.465
  513   2HD1  LEU  64          2HD1      LEU  64   7.890   5.947  -0.055
  514   3HD1  LEU  64          3HD1      LEU  64   6.489   6.990  -0.299
  515   1HD2  LEU  64          1HD2      LEU  64   7.934   8.770   2.475
  516   2HD2  LEU  64          2HD2      LEU  64   6.633   8.932   1.294
  517   3HD2  LEU  64          3HD2      LEU  64   8.255   8.490   0.763
  518    H    LYS  65           H        LYS  65   4.522   5.725   5.220
  519    HA   LYS  65           HA       LYS  65   2.344   7.647   5.431
  520   1HB   LYS  65          2HB       LYS  65   2.081   5.177   5.246
  521   2HB   LYS  65          1HB       LYS  65   2.861   4.992   6.817
  522   1HG   LYS  65          2HG       LYS  65   1.078   6.116   7.944
  523   2HG   LYS  65          1HG       LYS  65   0.385   6.682   6.424
  524   1HD   LYS  65          2HD       LYS  65   0.103   4.208   5.809
  525   2HD   LYS  65          1HD       LYS  65   0.441   3.862   7.505
  526   1HE   LYS  65          2HE       LYS  65  -1.427   5.612   8.008
  527   2HE   LYS  65          1HE       LYS  65  -1.907   5.341   6.321
  528   1HZ   LYS  65          1HZ       LYS  65  -3.007   3.752   7.763
  529   2HZ   LYS  65          2HZ       LYS  65  -1.512   3.237   8.385
  530   3HZ   LYS  65          3HZ       LYS  65  -1.902   2.950   6.757
  531    H    GLU  66           H        GLU  66   4.518   6.087   7.790
  532    HA   GLU  66           HA       GLU  66   3.775   7.317  10.176
  533   1HB   GLU  66          2HB       GLU  66   5.554   5.568   9.712
  534   2HB   GLU  66          1HB       GLU  66   6.631   6.890   9.259
  535   1HG   GLU  66          2HG       GLU  66   6.442   7.874  11.472
  536   2HG   GLU  66          1HG       GLU  66   5.227   6.684  11.938
  537    H    LYS  67           H        LYS  67   5.789   8.734   7.604
  538    HA   LYS  67           HA       LYS  67   6.570  11.106   9.061
  539   1HB   LYS  67          2HB       LYS  67   6.404  10.258   6.167
  540   2HB   LYS  67          1HB       LYS  67   6.905  11.894   6.598
  541   1HG   LYS  67          2HG       LYS  67   8.547  10.684   8.238
  542   2HG   LYS  67          1HG       LYS  67   8.268   9.282   7.202
  543   1HD   LYS  67          2HD       LYS  67   9.020  10.508   5.246
  544   2HD   LYS  67          1HD       LYS  67   9.152  11.997   6.183
  545   1HE   LYS  67          2HE       LYS  67  10.803  10.666   7.688
  546   2HE   LYS  67          1HE       LYS  67  10.890   9.533   6.325
  547   1HZ   LYS  67          1HZ       LYS  67  11.300  12.472   6.144
  548   2HZ   LYS  67          2HZ       LYS  67  11.398  11.370   4.854
  549   3HZ   LYS  67          3HZ       LYS  67  12.537  11.312   6.112
  550    H    TYR  68           H        TYR  68   4.217  10.707   6.415
  551    HA   TYR  68           HA       TYR  68   2.932  13.052   6.103
  552   1HB   TYR  68          2HB       TYR  68   2.290  10.905   5.111
  553   2HB   TYR  68          1HB       TYR  68   1.587  10.390   6.639
  554    HD1  TYR  68           1HD      TYR  68  -0.631  10.987   7.217
  555    HD2  TYR  68           2HD      TYR  68   1.334  12.970   3.951
  556    HE1  TYR  68           1HE      TYR  68  -2.771  12.072   6.589
  557    HE2  TYR  68           2HE      TYR  68  -0.806  14.055   3.324
  558    HH   TYR  68           HH       TYR  68  -3.499  14.123   5.356
  559    H    GLU  69           H        GLU  69   2.218  10.974   8.946
  560    HA   GLU  69           HA       GLU  69   0.201  12.631  10.118
  561   1HB   GLU  69          2HB       GLU  69   2.294  10.819  11.379
  562   2HB   GLU  69          1HB       GLU  69   0.830  11.383  12.184
  563   1HG   GLU  69          2HG       GLU  69  -0.355  10.371  10.045
  564   2HG   GLU  69          1HG       GLU  69   1.121   9.410   9.947
  565    H    LYS  70           H        LYS  70   3.710  12.519  10.681
  566    HA   LYS  70           HA       LYS  70   3.744  14.828  12.466
  567   1HB   LYS  70          2HB       LYS  70   5.614  12.901  11.217
  568   2HB   LYS  70          1HB       LYS  70   6.307  14.493  11.527
  569   1HG   LYS  70          2HG       LYS  70   6.702  13.452  13.567
  570   2HG   LYS  70          1HG       LYS  70   5.134  14.198  13.880
  571   1HD   LYS  70          2HD       LYS  70   4.653  12.046  14.556
  572   2HD   LYS  70          1HD       LYS  70   4.256  11.895  12.844
  573   1HE   LYS  70          2HE       LYS  70   6.107  10.597  12.392
  574   2HE   LYS  70          1HE       LYS  70   7.104  11.419  13.610
  575   1HZ   LYS  70          1HZ       LYS  70   5.849  10.363  15.352
  576   2HZ   LYS  70          2HZ       LYS  70   6.449   9.165  14.307
  577   3HZ   LYS  70          3HZ       LYS  70   4.816   9.625  14.226
  578    H    ASP  71           H        ASP  71   4.873  14.259   9.129
  579    HA   ASP  71           HA       ASP  71   5.660  16.844   8.385
  580   1HB   ASP  71          2HB       ASP  71   4.663  14.380   7.101
  581   2HB   ASP  71          1HB       ASP  71   4.454  15.829   6.124
  582    H    ILE  72           H        ILE  72   2.369  15.449   8.054
  583    HA   ILE  72           HA       ILE  72   1.112  17.797   7.006
  584    HB   ILE  72           HB       ILE  72   0.154  15.399   8.596
  585   1HG1  ILE  72          2HG1      ILE  72   1.094  15.062   6.301
  586   2HG1  ILE  72          1HG1      ILE  72  -0.598  14.592   6.435
  587   1HG2  ILE  72          1HG2      ILE  72  -1.445  17.686   7.452
  588   2HG2  ILE  72          2HG2      ILE  72  -1.578  16.934   9.043
  589   3HG2  ILE  72          3HG2      ILE  72  -2.145  16.074   7.611
  590   1HD1  ILE  72          1HD1      ILE  72  -1.235  16.840   5.509
  591   2HD1  ILE  72          2HD1      ILE  72  -0.307  15.855   4.380
  592   3HD1  ILE  72          3HD1      ILE  72   0.477  17.171   5.250
  593    H    ALA  73           H        ALA  73   1.874  16.814  10.311
  594    HA   ALA  73           HA       ALA  73   0.216  18.739  11.674
  595   1HB   ALA  73          1HB       ALA  73   2.826  17.447  12.531
  596   2HB   ALA  73          2HB       ALA  73   1.248  16.666  12.630
  597   3HB   ALA  73          3HB       ALA  73   1.583  18.101  13.597
  598    H    ALA  74           H        ALA  74   3.750  18.778  10.993
  599    HA   ALA  74           HA       ALA  74   4.047  21.536  11.879
  600   1HB   ALA  74          1HB       ALA  74   6.354  21.167  10.951
  601   2HB   ALA  74          2HB       ALA  74   5.807  19.610  10.328
  602   3HB   ALA  74          3HB       ALA  74   5.844  19.901  12.068
  603    H    TYR  75           H        TYR  75   3.477  19.928   8.805
  604    HA   TYR  75           HA       TYR  75   4.118  22.246   7.149
  605   1HB   TYR  75          2HB       TYR  75   4.169  19.783   6.509
  606   2HB   TYR  75          1HB       TYR  75   2.405  19.834   6.489
  607    HD1  TYR  75           1HD      TYR  75   1.227  21.420   4.925
  608    HD2  TYR  75           2HD      TYR  75   5.458  20.704   4.725
  609    HE1  TYR  75           1HE      TYR  75   1.283  22.385   2.641
  610    HE2  TYR  75           2HE      TYR  75   5.513  21.668   2.441
  611    HH   TYR  75           HH       TYR  75   3.930  23.445   1.159
  612    H    ARG  76           H        ARG  76   1.327  21.154   8.954
  613    HA   ARG  76           HA       ARG  76  -0.558  22.864   7.448
  614   1HB   ARG  76          2HB       ARG  76  -1.169  20.622   8.275
  615   2HB   ARG  76          1HB       ARG  76  -0.820  21.130   9.928
  616   1HG   ARG  76          2HG       ARG  76  -2.656  22.612   9.987
  617   2HG   ARG  76          1HG       ARG  76  -2.815  22.623   8.231
  618   1HD   ARG  76          2HD       ARG  76  -3.112  19.986   9.614
  619   2HD   ARG  76          1HD       ARG  76  -4.453  21.143   9.738
  620    HE   ARG  76           HE       ARG  76  -3.332  20.123   7.160
  621   1HH1  ARG  76          1HH2      ARG  76  -4.849  22.883   7.694
  622   2HH1  ARG  76          2HH2      ARG  76  -6.383  22.473   7.000
  623   1HH2  ARG  76          1HH1      ARG  76  -5.697  19.077   6.835
  624   2HH2  ARG  76          2HH1      ARG  76  -6.862  20.317   6.514
  625    H    ALA  77           H        ALA  77   1.670  23.317  10.004
  626    HA   ALA  77           HA       ALA  77   0.082  25.632  11.060
  627   1HB   ALA  77          1HB       ALA  77   2.195  23.913  12.403
  628   2HB   ALA  77          2HB       ALA  77   0.455  23.749  12.639
  629   3HB   ALA  77          3HB       ALA  77   1.283  25.212  13.171
  630    H    LYS  78           H        LYS  78   1.002  27.122   9.527
  631    HA   LYS  78           HA       LYS  78   3.878  27.780  10.048
  632   1HB   LYS  78          2HB       LYS  78   3.216  26.467   7.868
  633   2HB   LYS  78          1HB       LYS  78   2.626  28.038   7.325
  634   1HG   LYS  78          2HG       LYS  78   4.859  29.019   7.823
  635   2HG   LYS  78          1HG       LYS  78   5.441  27.412   8.261
  636   1HD   LYS  78          2HD       LYS  78   4.176  27.947   5.573
  637   2HD   LYS  78          1HD       LYS  78   5.898  28.211   5.850
  638   1HE   LYS  78          2HE       LYS  78   4.674  25.591   6.681
  639   2HE   LYS  78          1HE       LYS  78   5.097  25.859   4.979
  640   1HZ   LYS  78          1HZ       LYS  78   7.307  26.542   5.661
  641   2HZ   LYS  78          2HZ       LYS  78   6.984  24.975   6.230
  642   3HZ   LYS  78          3HZ       LYS  78   6.913  26.299   7.292
  Start of MODEL   10
    1   1H    MET   1          1HT       MET   1 -11.216  18.110  -4.566
    2   2H    MET   1          2HT       MET   1 -10.772  17.326  -6.007
    3   3H    MET   1          3HT       MET   1 -10.508  18.995  -5.829
    4    HA   MET   1           HA       MET   1  -9.196  16.938  -4.128
    5   1HB   MET   1          2HB       MET   1  -7.260  17.333  -5.646
    6   2HB   MET   1          1HB       MET   1  -8.639  16.653  -6.506
    7   1HG   MET   1          2HG       MET   1  -9.246  18.820  -7.389
    8   2HG   MET   1          1HG       MET   1  -8.045  19.622  -6.376
    9   1HE   MET   1          1HE       MET   1  -7.605  17.616 -10.378
   10   2HE   MET   1          2HE       MET   1  -9.028  18.158  -9.492
   11   3HE   MET   1          3HE       MET   1  -8.272  16.622  -9.076
   12    H    LYS   2           H        LYS   2  -7.465  17.897  -2.869
   13    HA   LYS   2           HA       LYS   2  -7.439  20.886  -2.741
   14   1HB   LYS   2          2HB       LYS   2  -8.073  18.852  -0.606
   15   2HB   LYS   2          1HB       LYS   2  -7.428  20.435  -0.167
   16   1HG   LYS   2          2HG       LYS   2  -9.783  20.208  -2.031
   17   2HG   LYS   2          1HG       LYS   2 -10.013  20.149  -0.284
   18   1HD   LYS   2          2HD       LYS   2  -8.407  22.351  -1.579
   19   2HD   LYS   2          1HD       LYS   2 -10.160  22.465  -1.418
   20   1HE   LYS   2          2HE       LYS   2  -9.947  22.119   1.037
   21   2HE   LYS   2          1HE       LYS   2  -8.181  22.080   0.858
   22   1HZ   LYS   2          1HZ       LYS   2  -8.269  24.259  -0.183
   23   2HZ   LYS   2          2HZ       LYS   2  -8.957  24.322   1.369
   24   3HZ   LYS   2          3HZ       LYS   2  -9.955  24.305  -0.006
   25    H    LYS   3           H        LYS   3  -5.492  18.955  -3.827
   26    HA   LYS   3           HA       LYS   3  -3.284  19.014  -1.823
   27   1HB   LYS   3          2HB       LYS   3  -4.027  16.958  -3.164
   28   2HB   LYS   3          1HB       LYS   3  -3.349  17.761  -4.578
   29   1HG   LYS   3          2HG       LYS   3  -1.291  17.050  -4.009
   30   2HG   LYS   3          1HG       LYS   3  -1.406  17.916  -2.478
   31   1HD   LYS   3          2HD       LYS   3  -2.728  15.228  -2.838
   32   2HD   LYS   3          1HD       LYS   3  -1.024  15.350  -2.399
   33   1HE   LYS   3          2HE       LYS   3  -1.640  16.748  -0.435
   34   2HE   LYS   3          1HE       LYS   3  -3.353  16.550  -0.856
   35   1HZ   LYS   3          1HZ       LYS   3  -3.049  14.146  -0.771
   36   2HZ   LYS   3          2HZ       LYS   3  -2.666  14.854   0.724
   37   3HZ   LYS   3          3HZ       LYS   3  -1.427  14.348  -0.322
   38    H    ASP   4           H        ASP   4  -1.621  20.465  -2.044
   39    HA   ASP   4           HA       ASP   4  -1.590  22.215  -4.468
   40   1HB   ASP   4          2HB       ASP   4  -1.000  22.457  -1.569
   41   2HB   ASP   4          1HB       ASP   4   0.065  23.370  -2.637
   42    HA   PRO   5           HA       PRO   5   2.353  20.706  -5.727
   43   1HB   PRO   5          2HB       PRO   5   3.823  22.951  -6.264
   44   2HB   PRO   5          1HB       PRO   5   2.490  22.398  -7.298
   45   1HG   PRO   5          2HG       PRO   5   2.525  24.556  -5.249
   46   2HG   PRO   5          1HG       PRO   5   1.719  24.508  -6.826
   47   1HD   PRO   5          2HD       PRO   5   0.427  24.092  -4.462
   48   2HD   PRO   5          1HD       PRO   5  -0.101  23.389  -6.007
   49    H    ASN   6           H        ASN   6   2.390  23.130  -3.171
   50    HA   ASN   6           HA       ASN   6   5.123  22.563  -2.290
   51   1HB   ASN   6          2HB       ASN   6   2.742  24.115  -1.269
   52   2HB   ASN   6          1HB       ASN   6   4.201  23.947  -0.292
   53   1HD2  ASN   6          1HD2      ASN   6   2.811  25.573  -3.053
   54   2HD2  ASN   6          2HD2      ASN   6   4.184  26.483  -3.461
   55    H    ALA   7           H        ALA   7   1.863  21.501  -1.425
   56    HA   ALA   7           HA       ALA   7   2.518  20.148   1.036
   57   1HB   ALA   7          1HB       ALA   7   0.247  20.828   0.243
   58   2HB   ALA   7          2HB       ALA   7   0.316  19.123   0.690
   59   3HB   ALA   7          3HB       ALA   7   0.344  19.591  -1.011
   60    HA   PRO   8           HA       PRO   8   4.338  16.500  -0.559
   61   1HB   PRO   8          2HB       PRO   8   3.713  14.680   1.357
   62   2HB   PRO   8          1HB       PRO   8   4.971  15.917   1.516
   63   1HG   PRO   8          2HG       PRO   8   2.357  15.764   2.782
   64   2HG   PRO   8          1HG       PRO   8   3.796  16.692   3.183
   65   1HD   PRO   8          2HD       PRO   8   1.441  17.658   1.923
   66   2HD   PRO   8          1HD       PRO   8   2.924  18.552   2.311
   67    H    LYS   9           H        LYS   9   3.861  14.362  -1.495
   68    HA   LYS   9           HA       LYS   9   1.295  14.194  -2.786
   69   1HB   LYS   9          2HB       LYS   9   3.625  12.301  -2.404
   70   2HB   LYS   9          1HB       LYS   9   2.234  11.899  -3.412
   71   1HG   LYS   9          2HG       LYS   9   2.629  13.992  -4.718
   72   2HG   LYS   9          1HG       LYS   9   4.087  14.271  -3.767
   73   1HD   LYS   9          2HD       LYS   9   4.832  13.177  -5.747
   74   2HD   LYS   9          1HD       LYS   9   4.830  11.930  -4.500
   75   1HE   LYS   9          2HE       LYS   9   2.578  11.186  -5.273
   76   2HE   LYS   9          1HE       LYS   9   2.660  12.386  -6.580
   77   1HZ   LYS   9          1HZ       LYS   9   4.644  10.229  -6.078
   78   2HZ   LYS   9          2HZ       LYS   9   4.746  11.397  -7.307
   79   3HZ   LYS   9          3HZ       LYS   9   3.500  10.242  -7.330
   80    H    ARG  10           H        ARG  10   0.358  11.719  -2.663
   81    HA   ARG  10           HA       ARG  10  -0.895  11.555  -0.007
   82   1HB   ARG  10          2HB       ARG  10  -1.164  10.004  -2.602
   83   2HB   ARG  10          1HB       ARG  10  -2.189   9.737  -1.191
   84   1HG   ARG  10          2HG       ARG  10  -2.774  12.201  -1.273
   85   2HG   ARG  10          1HG       ARG  10  -1.945  12.272  -2.829
   86   1HD   ARG  10          2HD       ARG  10  -4.243  11.893  -3.373
   87   2HD   ARG  10          1HD       ARG  10  -3.484  10.296  -3.515
   88    HE   ARG  10           HE       ARG  10  -4.481   9.667  -1.411
   89   1HH1  ARG  10          1HH1      ARG  10  -6.711  11.292  -2.810
   90   2HH1  ARG  10          2HH1      ARG  10  -7.285  12.240  -1.479
   91   1HH2  ARG  10          1HH2      ARG  10  -4.524  11.591   0.516
   92   2HH2  ARG  10          2HH2      ARG  10  -6.046  12.410   0.405
   93    HA   PRO  11           HA       PRO  11   1.991   8.457   1.363
   94   1HB   PRO  11          2HB       PRO  11   0.638   7.540   3.555
   95   2HB   PRO  11          1HB       PRO  11   1.494   9.094   3.530
   96   1HG   PRO  11          2HG       PRO  11  -1.409   8.530   3.276
   97   2HG   PRO  11          1HG       PRO  11  -0.583   9.880   4.068
   98   1HD   PRO  11          2HD       PRO  11  -1.775  10.025   1.597
   99   2HD   PRO  11          1HD       PRO  11  -0.473  11.100   2.150
  100    HA   PRO  12           HA       PRO  12   0.151   4.828  -0.482
  101   1HB   PRO  12          2HB       PRO  12   2.147   3.031   0.040
  102   2HB   PRO  12          1HB       PRO  12   2.266   4.259  -1.237
  103   1HG   PRO  12          2HG       PRO  12   3.446   4.244   1.493
  104   2HG   PRO  12          1HG       PRO  12   4.135   4.824  -0.031
  105   1HD   PRO  12          2HD       PRO  12   3.074   6.467   1.874
  106   2HD   PRO  12          1HD       PRO  12   3.131   6.869   0.144
  107    H    SER  13           H        SER  13   0.255   2.246   0.431
  108    HA   SER  13           HA       SER  13  -0.052   2.045   3.327
  109   1HB   SER  13          2HB       SER  13  -2.515   1.637   3.199
  110   2HB   SER  13          1HB       SER  13  -2.075   3.280   2.742
  111    HG   SER  13           HG       SER  13  -3.271   2.718   1.065
  112    H    ALA  14           H        ALA  14   1.455   0.541   1.381
  113    HA   ALA  14           HA       ALA  14   1.969  -1.707   0.972
  114   1HB   ALA  14          1HB       ALA  14   0.367  -1.740   3.270
  115   2HB   ALA  14          2HB       ALA  14   1.303  -3.093   2.637
  116   3HB   ALA  14          3HB       ALA  14  -0.395  -2.914   2.196
  117    H    PHE  15           H        PHE  15  -1.622  -1.854   1.034
  118    HA   PHE  15           HA       PHE  15  -1.865  -3.296  -1.398
  119   1HB   PHE  15          2HB       PHE  15  -3.621  -2.989   0.334
  120   2HB   PHE  15          1HB       PHE  15  -3.764  -1.293  -0.125
  121    HD1  PHE  15           1HD      PHE  15  -4.793  -4.671  -0.856
  122    HD2  PHE  15           2HD      PHE  15  -4.413  -0.738  -2.542
  123    HE1  PHE  15           1HE      PHE  15  -6.372  -5.290  -2.665
  124    HE2  PHE  15           2HE      PHE  15  -5.989  -1.360  -4.351
  125    HZ   PHE  15           HZ       PHE  15  -6.966  -3.637  -4.417
  126    H    PHE  16           H        PHE  16  -1.429   0.149  -0.824
  127    HA   PHE  16           HA       PHE  16  -2.273   1.047  -3.438
  128   1HB   PHE  16          2HB       PHE  16  -1.964   2.343  -1.223
  129   2HB   PHE  16          1HB       PHE  16  -0.247   2.377  -1.625
  130    HD1  PHE  16           1HD      PHE  16  -3.484   3.845  -2.249
  131    HD2  PHE  16           2HD      PHE  16   0.465   3.363  -3.867
  132    HE1  PHE  16           1HE      PHE  16  -3.876   5.759  -3.777
  133    HE2  PHE  16           2HE      PHE  16   0.073   5.277  -5.394
  134    HZ   PHE  16           HZ       PHE  16  -2.097   6.475  -5.350
  135    H    LEU  17           H        LEU  17   0.805  -0.124  -2.129
  136    HA   LEU  17           HA       LEU  17   2.447   0.671  -4.383
  137   1HB   LEU  17          2HB       LEU  17   2.602  -1.425  -2.203
  138   2HB   LEU  17          1HB       LEU  17   3.866  -1.277  -3.423
  139    HG   LEU  17           HG       LEU  17   3.859   1.250  -2.771
  140   1HD1  LEU  17          1HD1      LEU  17   3.327   1.440  -0.267
  141   2HD1  LEU  17          2HD1      LEU  17   2.427  -0.064  -0.459
  142   3HD1  LEU  17          3HD1      LEU  17   1.946   1.372  -1.362
  143   1HD2  LEU  17          1HD2      LEU  17   5.596  -0.603  -2.277
  144   2HD2  LEU  17          2HD2      LEU  17   4.894  -0.641  -0.660
  145   3HD2  LEU  17          3HD2      LEU  17   5.637   0.841  -1.265
  146    H    PHE  18           H        PHE  18   1.565  -2.617  -3.460
  147    HA   PHE  18           HA       PHE  18   1.842  -4.125  -5.714
  148   1HB   PHE  18          2HB       PHE  18   0.891  -4.943  -3.606
  149   2HB   PHE  18          1HB       PHE  18  -0.598  -4.047  -3.905
  150    HD1  PHE  18           1HD      PHE  18   1.556  -6.798  -5.221
  151    HD2  PHE  18           2HD      PHE  18  -2.324  -4.956  -5.259
  152    HE1  PHE  18           1HE      PHE  18   0.656  -8.719  -6.507
  153    HE2  PHE  18           2HE      PHE  18  -3.224  -6.876  -6.544
  154    HZ   PHE  18           HZ       PHE  18  -1.736  -8.759  -7.170
  155    H    CYS  19           H        CYS  19  -1.272  -2.334  -5.174
  156    HA   CYS  19           HA       CYS  19  -2.262  -2.794  -7.801
  157   1HB   CYS  19          2HB       CYS  19  -3.557  -2.088  -5.778
  158   2HB   CYS  19          1HB       CYS  19  -2.814  -0.496  -5.904
  159    HG   CYS  19           HG       CYS  19  -3.951  -0.399  -8.378
  160    H    SER  20           H        SER  20  -0.507   0.020  -6.444
  161    HA   SER  20           HA       SER  20  -0.570   1.736  -8.671
  162   1HB   SER  20          2HB       SER  20   1.380   1.199  -6.450
  163   2HB   SER  20          1HB       SER  20   1.769   2.392  -7.682
  164    HG   SER  20           HG       SER  20   0.303   3.678  -6.881
  165    H    GLU  21           H        GLU  21   1.502  -1.109  -8.141
  166    HA   GLU  21           HA       GLU  21   3.083  -0.494 -10.556
  167   1HB   GLU  21          2HB       GLU  21   4.315  -2.534  -9.890
  168   2HB   GLU  21          1HB       GLU  21   4.149  -1.411  -8.544
  169   1HG   GLU  21          2HG       GLU  21   2.490  -2.721  -7.501
  170   2HG   GLU  21          1HG       GLU  21   2.156  -3.631  -8.976
  171    H    HIS  22           H        HIS  22   0.349  -2.595  -9.654
  172    HA   HIS  22           HA       HIS  22   0.524  -3.979 -12.284
  173   1HB   HIS  22          2HB       HIS  22  -1.009  -4.361  -9.703
  174   2HB   HIS  22          1HB       HIS  22  -1.375  -5.293 -11.152
  175    HD1  HIS  22           1HD      HIS  22   0.910  -6.502 -12.223
  176    HD2  HIS  22           2HD      HIS  22   0.919  -5.564  -8.162
  177    HE1  HIS  22           1HE      HIS  22   2.704  -7.939 -11.160
  178    H    ARG  23           H        ARG  23  -0.584  -1.064 -11.509
  179    HA   ARG  23           HA       ARG  23  -3.401  -1.263 -12.265
  180   1HB   ARG  23          2HB       ARG  23  -2.147   0.433 -10.719
  181   2HB   ARG  23          1HB       ARG  23  -1.772   1.267 -12.222
  182   1HG   ARG  23          2HG       ARG  23  -4.364   0.928 -12.669
  183   2HG   ARG  23          1HG       ARG  23  -4.422   0.830 -10.909
  184   1HD   ARG  23          2HD       ARG  23  -3.127   3.106 -12.453
  185   2HD   ARG  23          1HD       ARG  23  -4.739   3.173 -11.714
  186    HE   ARG  23           HE       ARG  23  -2.420   2.420 -10.003
  187   1HH1  ARG  23          1HH1      ARG  23  -3.013   5.389 -10.914
  188   2HH1  ARG  23          2HH1      ARG  23  -3.771   5.973  -9.470
  189   1HH2  ARG  23          1HH2      ARG  23  -4.236   2.813  -8.120
  190   2HH2  ARG  23          2HH2      ARG  23  -4.464   4.514  -7.889
  191    HA   PRO  24           HA       PRO  24  -1.827   0.634 -16.340
  192   1HB   PRO  24          2HB       PRO  24   0.836   0.529 -16.937
  193   2HB   PRO  24          1HB       PRO  24   0.089   1.893 -16.084
  194   1HG   PRO  24          2HG       PRO  24   1.727  -0.334 -15.021
  195   2HG   PRO  24          1HG       PRO  24   1.630   1.352 -14.495
  196   1HD   PRO  24          2HD       PRO  24   0.412  -0.776 -13.235
  197   2HD   PRO  24          1HD       PRO  24  -0.067   0.924 -13.058
  198    H    LYS  25           H        LYS  25  -0.820  -2.343 -14.989
  199    HA   LYS  25           HA       LYS  25  -0.135  -3.644 -17.543
  200   1HB   LYS  25          2HB       LYS  25   0.938  -4.132 -15.323
  201   2HB   LYS  25          1HB       LYS  25  -0.609  -4.769 -14.764
  202   1HG   LYS  25          2HG       LYS  25  -0.564  -6.382 -16.695
  203   2HG   LYS  25          1HG       LYS  25   1.071  -5.824 -17.054
  204   1HD   LYS  25          2HD       LYS  25   1.646  -6.399 -14.628
  205   2HD   LYS  25          1HD       LYS  25   0.100  -7.245 -14.569
  206   1HE   LYS  25          2HE       LYS  25   0.906  -8.468 -16.713
  207   2HE   LYS  25          1HE       LYS  25   2.520  -7.881 -16.262
  208   1HZ   LYS  25          1HZ       LYS  25   2.220  -8.817 -14.061
  209   2HZ   LYS  25          2HZ       LYS  25   2.038 -10.033 -15.234
  210   3HZ   LYS  25          3HZ       LYS  25   0.671  -9.371 -14.472
  211    H    ILE  26           H        ILE  26  -2.828  -3.572 -15.220
  212    HA   ILE  26           HA       ILE  26  -4.401  -5.617 -16.556
  213    HB   ILE  26           HB       ILE  26  -5.119  -3.405 -14.601
  214   1HG1  ILE  26          2HG1      ILE  26  -3.377  -4.945 -13.771
  215   2HG1  ILE  26          1HG1      ILE  26  -4.887  -5.182 -12.898
  216   1HG2  ILE  26          1HG2      ILE  26  -6.887  -5.384 -14.093
  217   2HG2  ILE  26          2HG2      ILE  26  -6.672  -5.626 -15.826
  218   3HG2  ILE  26          3HG2      ILE  26  -7.227  -4.067 -15.215
  219   1HD1  ILE  26          1HD1      ILE  26  -4.025  -7.368 -13.441
  220   2HD1  ILE  26          2HD1      ILE  26  -3.766  -6.907 -15.124
  221   3HD1  ILE  26          3HD1      ILE  26  -5.406  -7.076 -14.498
  222    H    LYS  27           H        LYS  27  -3.906  -2.201 -17.071
  223    HA   LYS  27           HA       LYS  27  -6.391  -1.712 -18.532
  224   1HB   LYS  27          2HB       LYS  27  -3.748  -0.277 -18.171
  225   2HB   LYS  27          1HB       LYS  27  -5.056   0.387 -19.153
  226   1HG   LYS  27          2HG       LYS  27  -6.562   0.377 -17.245
  227   2HG   LYS  27          1HG       LYS  27  -5.351  -0.434 -16.250
  228   1HD   LYS  27          2HD       LYS  27  -5.180   1.862 -15.660
  229   2HD   LYS  27          1HD       LYS  27  -3.830   1.576 -16.759
  230   1HE   LYS  27          2HE       LYS  27  -5.494   2.321 -18.632
  231   2HE   LYS  27          1HE       LYS  27  -6.411   3.040 -17.293
  232   1HZ   LYS  27          1HZ       LYS  27  -3.514   3.464 -17.807
  233   2HZ   LYS  27          2HZ       LYS  27  -4.421   4.168 -16.554
  234   3HZ   LYS  27          3HZ       LYS  27  -4.738   4.579 -18.172
  235    H    SER  28           H        SER  28  -3.259  -3.048 -19.325
  236    HA   SER  28           HA       SER  28  -3.336  -2.481 -22.182
  237   1HB   SER  28          2HB       SER  28  -1.325  -3.003 -20.695
  238   2HB   SER  28          1HB       SER  28  -1.860  -4.681 -20.707
  239    HG   SER  28           HG       SER  28  -0.286  -3.898 -22.386
  240    H    GLU  29           H        GLU  29  -3.986  -5.385 -20.205
  241    HA   GLU  29           HA       GLU  29  -5.052  -6.875 -22.511
  242   1HB   GLU  29          2HB       GLU  29  -4.839  -7.402 -19.532
  243   2HB   GLU  29          1HB       GLU  29  -5.426  -8.590 -20.699
  244   1HG   GLU  29          2HG       GLU  29  -2.755  -7.228 -21.048
  245   2HG   GLU  29          1HG       GLU  29  -2.923  -8.689 -20.075
  246    H    HIS  30           H        HIS  30  -6.355  -4.406 -20.766
  247    HA   HIS  30           HA       HIS  30  -9.121  -5.268 -21.342
  248   1HB   HIS  30          2HB       HIS  30  -8.188  -4.464 -18.563
  249   2HB   HIS  30          1HB       HIS  30  -9.853  -4.788 -19.028
  250    HD1  HIS  30           1HD      HIS  30 -10.578  -7.232 -19.278
  251    HD2  HIS  30           2HD      HIS  30  -6.519  -6.802 -18.463
  252    HE1  HIS  30           1HE      HIS  30  -9.718  -9.544 -18.701
  253    HA   PRO  31           HA       PRO  31  -8.192  -0.820 -22.150
  254   1HB   PRO  31          2HB       PRO  31  -9.763  -0.664 -24.399
  255   2HB   PRO  31          1HB       PRO  31  -8.072  -1.204 -24.433
  256   1HG   PRO  31          2HG       PRO  31 -10.575  -2.832 -24.424
  257   2HG   PRO  31          1HG       PRO  31  -9.096  -3.048 -25.375
  258   1HD   PRO  31          2HD       PRO  31  -9.610  -4.528 -23.175
  259   2HD   PRO  31          1HD       PRO  31  -7.959  -4.048 -23.628
  260    H    GLY  32           H        GLY  32  -9.408   0.576 -20.942
  261   1HA   GLY  32          2HA       GLY  32 -11.448   1.804 -20.494
  262   2HA   GLY  32          1HA       GLY  32 -12.373   0.437 -21.114
  263    H    LEU  33           H        LEU  33 -10.418  -1.319 -19.421
  264    HA   LEU  33           HA       LEU  33 -12.084  -1.953 -17.267
  265   1HB   LEU  33          2HB       LEU  33  -9.875  -2.970 -18.290
  266   2HB   LEU  33          1HB       LEU  33  -9.091  -2.060 -17.006
  267    HG   LEU  33           HG       LEU  33  -9.569  -4.371 -16.295
  268   1HD1  LEU  33          1HD1      LEU  33 -11.425  -2.445 -14.883
  269   2HD1  LEU  33          2HD1      LEU  33  -9.673  -2.431 -14.685
  270   3HD1  LEU  33          3HD1      LEU  33 -10.605  -3.845 -14.195
  271   1HD2  LEU  33          1HD2      LEU  33 -11.704  -5.326 -16.316
  272   2HD2  LEU  33          2HD2      LEU  33 -11.717  -4.391 -17.811
  273   3HD2  LEU  33          3HD2      LEU  33 -12.512  -3.759 -16.369
  274    H    SER  34           H        SER  34 -12.874  -0.265 -16.013
  275    HA   SER  34           HA       SER  34 -11.512   2.034 -15.078
  276   1HB   SER  34          2HB       SER  34 -13.302   1.880 -13.243
  277   2HB   SER  34          1HB       SER  34 -13.889   1.857 -14.903
  278    HG   SER  34           HG       SER  34 -14.121  -0.010 -12.981
  279    H    ILE  35           H        ILE  35 -11.381   2.234 -12.423
  280    HA   ILE  35           HA       ILE  35  -9.172   0.407 -11.676
  281    HB   ILE  35           HB       ILE  35 -10.372   2.856 -10.338
  282   1HG1  ILE  35          2HG1      ILE  35  -7.840   2.632 -11.992
  283   2HG1  ILE  35          1HG1      ILE  35  -9.378   3.192 -12.647
  284   1HG2  ILE  35          1HG2      ILE  35  -7.988   1.120  -9.765
  285   2HG2  ILE  35          2HG2      ILE  35  -9.153   1.817  -8.639
  286   3HG2  ILE  35          3HG2      ILE  35  -7.920   2.838  -9.379
  287   1HD1  ILE  35          1HD1      ILE  35  -7.963   5.094 -11.947
  288   2HD1  ILE  35          2HD1      ILE  35  -7.909   4.445 -10.308
  289   3HD1  ILE  35          3HD1      ILE  35  -9.438   5.007 -10.983
  290    H    GLY  36           H        GLY  36 -12.294  -0.193 -11.576
  291   1HA   GLY  36          2HA       GLY  36 -12.466  -0.932  -8.699
  292   2HA   GLY  36          1HA       GLY  36 -13.825  -0.891  -9.823
  293    H    ASP  37           H        ASP  37 -13.097  -2.390 -11.908
  294    HA   ASP  37           HA       ASP  37 -13.320  -5.090 -10.999
  295   1HB   ASP  37          2HB       ASP  37 -12.514  -3.809 -13.620
  296   2HB   ASP  37          1HB       ASP  37 -12.767  -5.546 -13.449
  297    H    THR  38           H        THR  38 -10.484  -3.315 -12.306
  298    HA   THR  38           HA       THR  38  -8.662  -5.538 -12.037
  299    HB   THR  38           HB       THR  38  -8.332  -3.607 -13.548
  300    HG1  THR  38           1HG      THR  38  -6.323  -3.650 -11.557
  301   1HG2  THR  38          1HG2      THR  38  -7.510  -1.454 -12.511
  302   2HG2  THR  38          2HG2      THR  38  -8.063  -2.071 -10.955
  303   3HG2  THR  38          3HG2      THR  38  -9.222  -1.788 -12.254
  304    H    ALA  39           H        ALA  39  -9.745  -2.999  -9.869
  305    HA   ALA  39           HA       ALA  39  -7.699  -3.360  -7.835
  306   1HB   ALA  39          1HB       ALA  39  -8.888  -1.303  -7.861
  307   2HB   ALA  39          2HB       ALA  39  -9.562  -2.159  -6.474
  308   3HB   ALA  39          3HB       ALA  39 -10.449  -2.112  -7.997
  309    H    LYS  40           H        LYS  40 -10.812  -4.833  -8.564
  310    HA   LYS  40           HA       LYS  40 -11.109  -6.253  -6.041
  311   1HB   LYS  40          2HB       LYS  40 -12.327  -6.268  -8.789
  312   2HB   LYS  40          1HB       LYS  40 -12.657  -7.630  -7.717
  313   1HG   LYS  40          2HG       LYS  40 -13.516  -6.125  -6.000
  314   2HG   LYS  40          1HG       LYS  40 -13.093  -4.721  -6.981
  315   1HD   LYS  40          2HD       LYS  40 -15.386  -5.017  -7.429
  316   2HD   LYS  40          1HD       LYS  40 -14.600  -5.808  -8.797
  317   1HE   LYS  40          2HE       LYS  40 -14.849  -8.001  -7.703
  318   2HE   LYS  40          1HE       LYS  40 -15.606  -7.222  -6.299
  319   1HZ   LYS  40          1HZ       LYS  40 -16.584  -7.051  -9.101
  320   2HZ   LYS  40          2HZ       LYS  40 -17.301  -6.309  -7.751
  321   3HZ   LYS  40          3HZ       LYS  40 -17.278  -8.003  -7.880
  322    H    LYS  41           H        LYS  41  -9.861  -7.019  -9.275
  323    HA   LYS  41           HA       LYS  41  -9.178  -9.778  -8.731
  324   1HB   LYS  41          2HB       LYS  41  -9.424  -8.433 -10.955
  325   2HB   LYS  41          1HB       LYS  41  -7.750  -7.953 -10.670
  326   1HG   LYS  41          2HG       LYS  41  -7.024 -10.262 -10.649
  327   2HG   LYS  41          1HG       LYS  41  -8.692 -10.832 -10.719
  328   1HD   LYS  41          2HD       LYS  41  -8.980 -10.054 -12.946
  329   2HD   LYS  41          1HD       LYS  41  -7.524  -9.060 -12.869
  330   1HE   LYS  41          2HE       LYS  41  -6.104 -11.038 -12.817
  331   2HE   LYS  41          1HE       LYS  41  -7.527 -12.095 -12.718
  332   1HZ   LYS  41          1HZ       LYS  41  -8.305 -11.209 -14.819
  333   2HZ   LYS  41          2HZ       LYS  41  -6.749 -11.862 -15.011
  334   3HZ   LYS  41          3HZ       LYS  41  -6.963 -10.179 -14.920
  335    H    LEU  42           H        LEU  42  -7.186  -6.808  -8.878
  336    HA   LEU  42           HA       LEU  42  -4.683  -7.776  -8.098
  337   1HB   LEU  42          2HB       LEU  42  -6.226  -5.264  -7.953
  338   2HB   LEU  42          1HB       LEU  42  -4.890  -5.353  -6.810
  339    HG   LEU  42           HG       LEU  42  -3.352  -5.922  -8.659
  340   1HD1  LEU  42          1HD1      LEU  42  -4.029  -6.060 -10.902
  341   2HD1  LEU  42          2HD1      LEU  42  -5.538  -5.203 -10.597
  342   3HD1  LEU  42          3HD1      LEU  42  -5.351  -6.873 -10.064
  343   1HD2  LEU  42          1HD2      LEU  42  -4.863  -3.487  -9.539
  344   2HD2  LEU  42          2HD2      LEU  42  -3.122  -3.722  -9.382
  345   3HD2  LEU  42          3HD2      LEU  42  -4.118  -3.516  -7.941
  346    H    GLY  43           H        GLY  43  -7.170  -6.480  -5.849
  347   1HA   GLY  43          2HA       GLY  43  -5.855  -7.040  -3.428
  348   2HA   GLY  43          1HA       GLY  43  -7.614  -7.011  -3.597
  349    H    GLU  44           H        GLU  44  -7.572  -9.208  -5.590
  350    HA   GLU  44           HA       GLU  44  -7.752 -11.466  -3.778
  351   1HB   GLU  44          2HB       GLU  44  -8.953 -10.937  -6.039
  352   2HB   GLU  44          1HB       GLU  44  -7.502 -11.605  -6.787
  353   1HG   GLU  44          2HG       GLU  44  -7.853 -13.625  -5.215
  354   2HG   GLU  44          1HG       GLU  44  -9.479 -12.986  -4.973
  355    H    MET  45           H        MET  45  -5.376 -10.300  -6.147
  356    HA   MET  45           HA       MET  45  -3.574 -12.579  -5.798
  357   1HB   MET  45          2HB       MET  45  -3.562  -9.914  -7.210
  358   2HB   MET  45          1HB       MET  45  -2.082 -10.868  -7.107
  359   1HG   MET  45          2HG       MET  45  -3.179 -12.764  -8.180
  360   2HG   MET  45          1HG       MET  45  -4.717 -11.902  -8.193
  361   1HE   MET  45          1HE       MET  45  -4.260 -12.943 -10.787
  362   2HE   MET  45          2HE       MET  45  -4.322 -11.558 -11.875
  363   3HE   MET  45          3HE       MET  45  -5.416 -11.637 -10.497
  364    H    TRP  46           H        TRP  46  -3.677  -9.164  -4.734
  365    HA   TRP  46           HA       TRP  46  -1.216  -8.925  -3.380
  366   1HB   TRP  46          2HB       TRP  46  -2.771  -7.095  -3.718
  367   2HB   TRP  46          1HB       TRP  46  -3.997  -7.876  -2.730
  368    HD1  TRP  46           HD       TRP  46  -4.135  -6.787  -0.435
  369    HE1  TRP  46           1HE      TRP  46  -2.459  -5.741   1.223
  370    HE3  TRP  46           3HE      TRP  46   0.174  -7.340  -3.091
  371    HZ2  TRP  46           2HZ      TRP  46   0.352  -5.212   1.389
  372    HZ3  TRP  46           3HZ      TRP  46   2.340  -6.556  -2.170
  373    HH2  TRP  46           HH       TRP  46   2.424  -5.497   0.063
  374    H    SER  47           H        SER  47  -4.306 -10.213  -2.080
  375    HA   SER  47           HA       SER  47  -3.274 -10.888   0.523
  376   1HB   SER  47          2HB       SER  47  -5.688 -10.606  -0.287
  377   2HB   SER  47          1HB       SER  47  -5.543 -12.219  -0.980
  378    HG   SER  47           HG       SER  47  -5.043 -12.983   1.111
  379    H    GLU  48           H        GLU  48  -2.666 -12.293  -2.546
  380    HA   GLU  48           HA       GLU  48  -1.988 -14.939  -1.370
  381   1HB   GLU  48          2HB       GLU  48  -2.682 -13.872  -4.106
  382   2HB   GLU  48          1HB       GLU  48  -1.885 -15.434  -3.924
  383   1HG   GLU  48          2HG       GLU  48  -4.380 -14.763  -2.366
  384   2HG   GLU  48          1HG       GLU  48  -4.468 -15.425  -3.999
  385    H    GLN  49           H        GLN  49  -0.584 -11.975  -2.451
  386    HA   GLN  49           HA       GLN  49   1.838 -12.879  -3.647
  387   1HB   GLN  49          2HB       GLN  49   1.151 -10.472  -1.924
  388   2HB   GLN  49          1HB       GLN  49   2.670 -10.635  -2.801
  389   1HG   GLN  49          2HG       GLN  49  -0.097 -10.601  -4.035
  390   2HG   GLN  49          1HG       GLN  49   1.073  -9.292  -4.096
  391   1HE2  GLN  49          1HE2      GLN  49  -0.151 -11.237  -6.232
  392   2HE2  GLN  49          2HE2      GLN  49   1.213 -11.756  -7.098
  393    H    SER  50           H        SER  50   3.815 -13.461  -2.715
  394    HA   SER  50           HA       SER  50   3.727 -14.353   0.110
  395   1HB   SER  50          2HB       SER  50   5.701 -15.623  -0.552
  396   2HB   SER  50          1HB       SER  50   4.492 -15.793  -1.822
  397    HG   SER  50           HG       SER  50   6.523 -15.276  -2.695
  398    H    ALA  51           H        ALA  51   6.665 -14.095   0.386
  399    HA   ALA  51           HA       ALA  51   6.751 -11.351   1.381
  400   1HB   ALA  51          1HB       ALA  51   7.859 -13.027   2.650
  401   2HB   ALA  51          2HB       ALA  51   9.169 -12.139   1.874
  402   3HB   ALA  51          3HB       ALA  51   8.655 -13.696   1.226
  403    H    LYS  52           H        LYS  52   7.261 -12.655  -1.720
  404    HA   LYS  52           HA       LYS  52   9.530 -11.003  -2.528
  405   1HB   LYS  52          2HB       LYS  52   8.409 -13.260  -3.451
  406   2HB   LYS  52          1HB       LYS  52   7.531 -12.108  -4.458
  407   1HG   LYS  52          2HG       LYS  52   9.532 -11.256  -5.416
  408   2HG   LYS  52          1HG       LYS  52  10.538 -12.013  -4.180
  409   1HD   LYS  52          2HD       LYS  52  10.805 -13.455  -6.013
  410   2HD   LYS  52          1HD       LYS  52   9.537 -14.249  -5.078
  411   1HE   LYS  52          2HE       LYS  52   8.659 -14.248  -7.279
  412   2HE   LYS  52          1HE       LYS  52   7.906 -12.812  -6.555
  413   1HZ   LYS  52          1HZ       LYS  52  10.440 -12.843  -8.111
  414   2HZ   LYS  52          2HZ       LYS  52   9.738 -11.472  -7.393
  415   3HZ   LYS  52          3HZ       LYS  52   8.948 -12.263  -8.673
  416    H    ASP  53           H        ASP  53   5.989 -10.860  -2.909
  417    HA   ASP  53           HA       ASP  53   6.257  -7.979  -3.719
  418   1HB   ASP  53          2HB       ASP  53   4.835 -10.310  -4.846
  419   2HB   ASP  53          1HB       ASP  53   3.849  -8.856  -4.712
  420    H    LYS  54           H        LYS  54   6.131  -8.314  -1.101
  421    HA   LYS  54           HA       LYS  54   3.582  -7.187  -0.298
  422   1HB   LYS  54          2HB       LYS  54   3.575  -9.885  -0.615
  423   2HB   LYS  54          1HB       LYS  54   4.063  -9.762   1.071
  424   1HG   LYS  54          2HG       LYS  54   2.084  -8.095   1.298
  425   2HG   LYS  54          1HG       LYS  54   1.549  -8.741  -0.245
  426   1HD   LYS  54          2HD       LYS  54   0.419 -10.028   1.402
  427   2HD   LYS  54          1HD       LYS  54   1.724 -11.054   0.809
  428   1HE   LYS  54          2HE       LYS  54   1.961 -11.278   3.140
  429   2HE   LYS  54          1HE       LYS  54   3.086  -9.948   2.798
  430   1HZ   LYS  54          1HZ       LYS  54   1.299  -8.372   3.209
  431   2HZ   LYS  54          2HZ       LYS  54   1.553  -9.348   4.577
  432   3HZ   LYS  54          3HZ       LYS  54   0.227  -9.641   3.555
  433    H    GLN  55           H        GLN  55   6.631  -8.722   0.697
  434    HA   GLN  55           HA       GLN  55   6.587  -7.718   3.421
  435   1HB   GLN  55          2HB       GLN  55   8.442  -9.100   1.559
  436   2HB   GLN  55          1HB       GLN  55   9.198  -8.218   2.883
  437   1HG   GLN  55          2HG       GLN  55   6.966 -10.238   3.234
  438   2HG   GLN  55          1HG       GLN  55   8.677 -10.600   3.461
  439   1HE2  GLN  55          1HE2      GLN  55   5.869  -9.244   4.975
  440   2HE2  GLN  55          2HE2      GLN  55   6.632  -8.709   6.394
  441    HA   PRO  56           HA       PRO  56   9.486  -4.315   1.750
  442   1HB   PRO  56          2HB       PRO  56   9.811  -4.036  -0.949
  443   2HB   PRO  56          1HB       PRO  56  10.848  -5.078   0.045
  444   1HG   PRO  56          2HG       PRO  56   8.580  -5.806  -1.731
  445   2HG   PRO  56          1HG       PRO  56  10.102  -6.659  -1.436
  446   1HD   PRO  56          2HD       PRO  56   7.707  -7.363  -0.323
  447   2HD   PRO  56          1HD       PRO  56   9.287  -7.740   0.396
  448    H    TYR  57           H        TYR  57   6.390  -5.085   0.559
  449    HA   TYR  57           HA       TYR  57   5.812  -2.413  -0.560
  450   1HB   TYR  57          2HB       TYR  57   4.328  -5.022  -0.187
  451   2HB   TYR  57          1HB       TYR  57   3.523  -3.576  -0.796
  452    HD1  TYR  57           1HD      TYR  57   6.628  -5.605  -1.389
  453    HD2  TYR  57           2HD      TYR  57   3.506  -3.202  -3.095
  454    HE1  TYR  57           1HE      TYR  57   7.515  -6.065  -3.657
  455    HE2  TYR  57           2HE      TYR  57   4.393  -3.661  -5.365
  456    HH   TYR  57           HH       TYR  57   5.893  -5.742  -6.364
  457    H    GLU  58           H        GLU  58   5.071  -4.361   2.323
  458    HA   GLU  58           HA       GLU  58   3.236  -2.334   3.407
  459   1HB   GLU  58          2HB       GLU  58   3.109  -3.942   5.283
  460   2HB   GLU  58          1HB       GLU  58   2.903  -4.758   3.736
  461   1HG   GLU  58          2HG       GLU  58   4.571  -6.148   4.355
  462   2HG   GLU  58          1HG       GLU  58   5.672  -4.786   4.171
  463    H    GLN  59           H        GLN  59   6.639  -3.135   3.632
  464    HA   GLN  59           HA       GLN  59   7.149  -1.694   6.117
  465   1HB   GLN  59          2HB       GLN  59   8.857  -2.743   3.840
  466   2HB   GLN  59          1HB       GLN  59   9.538  -1.998   5.285
  467   1HG   GLN  59          2HG       GLN  59   8.327  -3.686   6.675
  468   2HG   GLN  59          1HG       GLN  59   7.788  -4.472   5.190
  469   1HE2  GLN  59          1HE2      GLN  59   9.687  -5.084   3.635
  470   2HE2  GLN  59          2HE2      GLN  59  11.105  -5.665   4.364
  471    H    LYS  60           H        LYS  60   8.460  -1.015   2.851
  472    HA   LYS  60           HA       LYS  60   9.198   1.638   3.189
  473   1HB   LYS  60          2HB       LYS  60   9.572   0.135   1.225
  474   2HB   LYS  60          1HB       LYS  60   7.901   0.418   0.735
  475   1HG   LYS  60          2HG       LYS  60   8.669   2.972   1.014
  476   2HG   LYS  60          1HG       LYS  60  10.241   2.263   0.642
  477   1HD   LYS  60          2HD       LYS  60   9.151   1.136  -1.348
  478   2HD   LYS  60          1HD       LYS  60   7.720   2.117  -1.028
  479   1HE   LYS  60          2HE       LYS  60   8.774   4.101  -1.647
  480   2HE   LYS  60          1HE       LYS  60  10.390   3.484  -1.248
  481   1HZ   LYS  60          1HZ       LYS  60  10.019   3.517  -3.652
  482   2HZ   LYS  60          2HZ       LYS  60   8.671   2.498  -3.465
  483   3HZ   LYS  60          3HZ       LYS  60  10.227   1.933  -3.084
  484    H    ALA  61           H        ALA  61   5.894   0.447   2.947
  485    HA   ALA  61           HA       ALA  61   4.828   3.160   2.408
  486   1HB   ALA  61          1HB       ALA  61   3.202   0.706   3.016
  487   2HB   ALA  61          2HB       ALA  61   4.065   0.808   1.481
  488   3HB   ALA  61          3HB       ALA  61   2.849   2.019   1.892
  489    H    ALA  62           H        ALA  62   5.000   0.727   4.980
  490    HA   ALA  62           HA       ALA  62   3.235   2.015   6.853
  491   1HB   ALA  62          1HB       ALA  62   4.613   0.570   8.474
  492   2HB   ALA  62          2HB       ALA  62   5.551   0.076   7.066
  493   3HB   ALA  62          3HB       ALA  62   3.827  -0.284   7.147
  494    H    LYS  63           H        LYS  63   6.691   2.352   6.155
  495    HA   LYS  63           HA       LYS  63   7.206   4.134   8.423
  496   1HB   LYS  63          2HB       LYS  63   8.653   2.583   6.524
  497   2HB   LYS  63          1HB       LYS  63   9.164   4.253   6.292
  498   1HG   LYS  63          2HG       LYS  63  10.616   3.603   7.981
  499   2HG   LYS  63          1HG       LYS  63   9.281   4.244   8.940
  500   1HD   LYS  63          2HD       LYS  63   8.416   2.060   9.374
  501   2HD   LYS  63          1HD       LYS  63   9.456   1.330   8.150
  502   1HE   LYS  63          2HE       LYS  63  10.784   2.829  10.377
  503   2HE   LYS  63          1HE       LYS  63  10.125   1.219  10.728
  504   1HZ   LYS  63          1HZ       LYS  63  12.365   1.009   9.880
  505   2HZ   LYS  63          2HZ       LYS  63  11.965   1.916   8.499
  506   3HZ   LYS  63          3HZ       LYS  63  11.270   0.385   8.745
  507    H    LEU  64           H        LEU  64   7.427   4.636   4.878
  508    HA   LEU  64           HA       LEU  64   7.620   7.427   4.811
  509   1HB   LEU  64          2HB       LEU  64   6.409   5.335   3.021
  510   2HB   LEU  64          1HB       LEU  64   6.314   7.037   2.564
  511    HG   LEU  64           HG       LEU  64   8.904   5.661   3.321
  512   1HD1  LEU  64          1HD1      LEU  64   7.603   4.856   1.179
  513   2HD1  LEU  64          2HD1      LEU  64   9.328   5.205   1.073
  514   3HD1  LEU  64          3HD1      LEU  64   8.151   6.391   0.506
  515   1HD2  LEU  64          1HD2      LEU  64   9.759   7.687   1.958
  516   2HD2  LEU  64          2HD2      LEU  64   9.133   8.009   3.575
  517   3HD2  LEU  64          3HD2      LEU  64   8.134   8.342   2.160
  518    H    LYS  65           H        LYS  65   4.783   5.473   5.484
  519    HA   LYS  65           HA       LYS  65   2.843   7.627   5.108
  520   1HB   LYS  65          2HB       LYS  65   2.332   5.211   4.863
  521   2HB   LYS  65          1HB       LYS  65   2.702   4.967   6.571
  522   1HG   LYS  65          2HG       LYS  65   0.896   6.559   7.173
  523   2HG   LYS  65          1HG       LYS  65   0.505   6.741   5.462
  524   1HD   LYS  65          2HD       LYS  65  -0.227   4.497   5.272
  525   2HD   LYS  65          1HD       LYS  65   0.549   4.028   6.785
  526   1HE   LYS  65          2HE       LYS  65  -1.042   5.675   7.948
  527   2HE   LYS  65          1HE       LYS  65  -1.943   5.707   6.420
  528   1HZ   LYS  65          1HZ       LYS  65  -1.224   3.276   7.973
  529   2HZ   LYS  65          2HZ       LYS  65  -2.020   3.279   6.472
  530   3HZ   LYS  65          3HZ       LYS  65  -2.777   3.945   7.841
  531    H    GLU  66           H        GLU  66   4.352   6.003   7.910
  532    HA   GLU  66           HA       GLU  66   3.117   7.417  10.021
  533   1HB   GLU  66          2HB       GLU  66   4.752   5.431  10.012
  534   2HB   GLU  66          1HB       GLU  66   6.039   6.635   9.933
  535   1HG   GLU  66          2HG       GLU  66   5.823   6.309  12.239
  536   2HG   GLU  66          1HG       GLU  66   4.792   7.715  11.969
  537    H    LYS  67           H        LYS  67   5.785   8.398   7.915
  538    HA   LYS  67           HA       LYS  67   6.261  10.886   9.446
  539   1HB   LYS  67          2HB       LYS  67   7.980   9.326   8.290
  540   2HB   LYS  67          1HB       LYS  67   7.444  10.077   6.786
  541   1HG   LYS  67          2HG       LYS  67   8.218  12.202   7.421
  542   2HG   LYS  67          1HG       LYS  67   8.249  11.782   9.134
  543   1HD   LYS  67          2HD       LYS  67  10.057  10.065   8.515
  544   2HD   LYS  67          1HD       LYS  67  10.161  10.905   6.967
  545   1HE   LYS  67          2HE       LYS  67  11.780  12.057   8.210
  546   2HE   LYS  67          1HE       LYS  67  10.347  13.056   8.530
  547   1HZ   LYS  67          1HZ       LYS  67   9.891  11.717  10.491
  548   2HZ   LYS  67          2HZ       LYS  67  11.437  12.413  10.599
  549   3HZ   LYS  67          3HZ       LYS  67  11.266  10.771  10.196
  550    H    TYR  68           H        TYR  68   4.359   9.816   6.744
  551    HA   TYR  68           HA       TYR  68   4.195  12.346   5.321
  552   1HB   TYR  68          2HB       TYR  68   3.215   9.607   5.177
  553   2HB   TYR  68          1HB       TYR  68   1.927  10.735   4.829
  554    HD1  TYR  68           1HD      TYR  68   5.608  10.794   4.134
  555    HD2  TYR  68           2HD      TYR  68   1.628  10.901   2.522
  556    HE1  TYR  68           1HE      TYR  68   6.540  11.140   1.860
  557    HE2  TYR  68           2HE      TYR  68   2.561  11.247   0.248
  558    HH   TYR  68           HH       TYR  68   5.407  12.325  -0.428
  559    H    GLU  69           H        GLU  69   2.124  10.616   7.612
  560    HA   GLU  69           HA       GLU  69  -0.058  12.430   7.741
  561   1HB   GLU  69          2HB       GLU  69   1.151  10.655   9.894
  562   2HB   GLU  69          1HB       GLU  69  -0.495  11.290   9.898
  563   1HG   GLU  69          2HG       GLU  69  -0.644  10.155   7.532
  564   2HG   GLU  69          1HG       GLU  69   0.719   9.199   8.113
  565    H    LYS  70           H        LYS  70   2.862  12.218   9.769
  566    HA   LYS  70           HA       LYS  70   2.387  14.493  11.436
  567   1HB   LYS  70          2HB       LYS  70   4.268  12.544  11.212
  568   2HB   LYS  70          1HB       LYS  70   5.153  13.895  10.502
  569   1HG   LYS  70          2HG       LYS  70   5.666  14.112  12.768
  570   2HG   LYS  70          1HG       LYS  70   4.300  15.212  12.590
  571   1HD   LYS  70          2HD       LYS  70   3.570  14.014  14.424
  572   2HD   LYS  70          1HD       LYS  70   2.920  12.995  13.139
  573   1HE   LYS  70          2HE       LYS  70   4.052  11.460  14.557
  574   2HE   LYS  70          1HE       LYS  70   5.231  11.771  13.266
  575   1HZ   LYS  70          1HZ       LYS  70   5.074  13.236  15.849
  576   2HZ   LYS  70          2HZ       LYS  70   6.193  13.533  14.606
  577   3HZ   LYS  70          3HZ       LYS  70   6.235  12.063  15.457
  578    H    ASP  71           H        ASP  71   4.255  14.181   8.423
  579    HA   ASP  71           HA       ASP  71   4.911  16.915   8.000
  580   1HB   ASP  71          2HB       ASP  71   4.736  14.379   6.498
  581   2HB   ASP  71          1HB       ASP  71   4.588  15.809   5.490
  582    H    ILE  72           H        ILE  72   2.105  15.022   6.899
  583    HA   ILE  72           HA       ILE  72   0.801  17.085   5.409
  584    HB   ILE  72           HB       ILE  72   0.014  14.506   6.775
  585   1HG1  ILE  72          2HG1      ILE  72   1.319  14.456   4.675
  586   2HG1  ILE  72          1HG1      ILE  72  -0.282  13.752   4.460
  587   1HG2  ILE  72          1HG2      ILE  72  -1.845  16.500   5.471
  588   2HG2  ILE  72          2HG2      ILE  72  -2.065  15.612   6.979
  589   3HG2  ILE  72          3HG2      ILE  72  -2.199  14.772   5.433
  590   1HD1  ILE  72          1HD1      ILE  72   0.688  16.473   3.555
  591   2HD1  ILE  72          2HD1      ILE  72  -1.024  16.067   3.634
  592   3HD1  ILE  72          3HD1      ILE  72   0.047  15.163   2.567
  593    H    ALA  73           H        ALA  73   0.486  16.107   8.837
  594    HA   ALA  73           HA       ALA  73  -1.602  17.940   9.535
  595   1HB   ALA  73          1HB       ALA  73  -0.845  15.999  10.881
  596   2HB   ALA  73          2HB       ALA  73  -0.813  17.481  11.836
  597   3HB   ALA  73          3HB       ALA  73   0.687  16.816  11.189
  598    H    ALA  74           H        ALA  74   1.882  18.352   9.208
  599    HA   ALA  74           HA       ALA  74   1.838  21.053  10.419
  600   1HB   ALA  74          1HB       ALA  74   3.679  19.441  10.801
  601   2HB   ALA  74          2HB       ALA  74   4.268  20.900  10.003
  602   3HB   ALA  74          3HB       ALA  74   4.015  19.424   9.070
  603    H    TYR  75           H        TYR  75   1.520  19.622   7.283
  604    HA   TYR  75           HA       TYR  75   2.171  22.209   5.927
  605   1HB   TYR  75          2HB       TYR  75   2.908  19.604   5.414
  606   2HB   TYR  75          1HB       TYR  75   1.542  19.810   4.320
  607    HD1  TYR  75           1HD      TYR  75   1.531  21.807   2.738
  608    HD2  TYR  75           2HD      TYR  75   5.009  20.600   4.951
  609    HE1  TYR  75           1HE      TYR  75   2.967  23.111   1.193
  610    HE2  TYR  75           2HE      TYR  75   6.445  21.904   3.406
  611    HH   TYR  75           HH       TYR  75   6.091  22.697   0.799
  612    H    ARG  76           H        ARG  76  -0.478  20.199   6.891
  613    HA   ARG  76           HA       ARG  76  -2.323  21.465   4.920
  614   1HB   ARG  76          2HB       ARG  76  -2.223  18.995   5.123
  615   2HB   ARG  76          1HB       ARG  76  -2.617  19.126   6.836
  616   1HG   ARG  76          2HG       ARG  76  -4.806  19.871   6.406
  617   2HG   ARG  76          1HG       ARG  76  -4.415  20.339   4.752
  618   1HD   ARG  76          2HD       ARG  76  -3.865  17.744   4.503
  619   2HD   ARG  76          1HD       ARG  76  -5.014  17.620   5.850
  620    HE   ARG  76           HE       ARG  76  -6.654  18.856   4.442
  621   1HH1  ARG  76          1HH1      ARG  76  -5.960  16.279   3.015
  622   2HH1  ARG  76          2HH1      ARG  76  -5.681  16.840   1.401
  623   1HH2  ARG  76          1HH2      ARG  76  -5.368  20.167   2.330
  624   2HH2  ARG  76          2HH2      ARG  76  -5.346  19.043   1.013
  625    H    ALA  77           H        ALA  77  -1.427  21.451   8.294
  626    HA   ALA  77           HA       ALA  77  -3.920  22.409   9.394
  627   1HB   ALA  77          1HB       ALA  77  -2.377  23.017  11.312
  628   2HB   ALA  77          2HB       ALA  77  -1.030  22.510  10.293
  629   3HB   ALA  77          3HB       ALA  77  -2.254  21.340  10.782
  630    H    LYS  78           H        LYS  78  -1.135  23.941   7.926
  631    HA   LYS  78           HA       LYS  78  -1.513  26.632   8.763
  632   1HB   LYS  78          2HB       LYS  78   0.235  25.228   7.211
  633   2HB   LYS  78          1HB       LYS  78  -0.648  26.119   5.971
  634   1HG   LYS  78          2HG       LYS  78  -0.053  28.217   6.894
  635   2HG   LYS  78          1HG       LYS  78   0.435  27.496   8.427
  636   1HD   LYS  78          2HD       LYS  78   1.873  26.525   6.017
  637   2HD   LYS  78          1HD       LYS  78   2.204  28.188   6.500
  638   1HE   LYS  78          2HE       LYS  78   2.382  27.048   8.924
  639   2HE   LYS  78          1HE       LYS  78   2.834  25.645   7.934
  640   1HZ   LYS  78          1HZ       LYS  78   4.458  26.970   6.788
  641   2HZ   LYS  78          2HZ       LYS  78   4.746  27.092   8.459
  642   3HZ   LYS  78          3HZ       LYS  78   3.989  28.366   7.629
  Start of MODEL   11
    1   1H    MET   1          1HT       MET   1 -16.082  19.458   3.962
    2   2H    MET   1          2HT       MET   1 -16.104  18.005   3.082
    3   3H    MET   1          3HT       MET   1 -15.232  19.342   2.498
    4    HA   MET   1           HA       MET   1 -13.718  19.200   4.404
    5   1HB   MET   1          2HB       MET   1 -15.670  18.193   5.748
    6   2HB   MET   1          1HB       MET   1 -15.224  16.650   5.018
    7   1HG   MET   1          2HG       MET   1 -12.855  17.089   5.860
    8   2HG   MET   1          1HG       MET   1 -13.537  18.409   6.811
    9   1HE   MET   1          1HE       MET   1 -16.335  17.481   7.716
   10   2HE   MET   1          2HE       MET   1 -15.076  18.271   8.664
   11   3HE   MET   1          3HE       MET   1 -15.878  16.836   9.299
   12    H    LYS   2           H        LYS   2 -12.138  18.817   2.845
   13    HA   LYS   2           HA       LYS   2 -11.617  15.991   2.124
   14   1HB   LYS   2          2HB       LYS   2 -11.520  16.596  -0.296
   15   2HB   LYS   2          1HB       LYS   2 -13.134  16.809   0.379
   16   1HG   LYS   2          2HG       LYS   2 -13.066  19.089   0.172
   17   2HG   LYS   2          1HG       LYS   2 -11.342  19.175   0.533
   18   1HD   LYS   2          2HD       LYS   2 -10.873  18.220  -1.736
   19   2HD   LYS   2          1HD       LYS   2 -12.600  18.315  -2.088
   20   1HE   LYS   2          2HE       LYS   2 -11.324  20.806  -1.053
   21   2HE   LYS   2          1HE       LYS   2 -10.919  20.325  -2.713
   22   1HZ   LYS   2          1HZ       LYS   2 -13.674  20.493  -1.608
   23   2HZ   LYS   2          2HZ       LYS   2 -13.258  20.086  -3.203
   24   3HZ   LYS   2          3HZ       LYS   2 -12.966  21.654  -2.620
   25    H    LYS   3           H        LYS   3  -9.603  16.380   0.283
   26    HA   LYS   3           HA       LYS   3  -7.532  17.766   1.917
   27   1HB   LYS   3          2HB       LYS   3  -7.693  15.516  -0.032
   28   2HB   LYS   3          1HB       LYS   3  -6.179  16.424   0.011
   29   1HG   LYS   3          2HG       LYS   3  -5.926  14.654   1.600
   30   2HG   LYS   3          1HG       LYS   3  -6.218  16.116   2.543
   31   1HD   LYS   3          2HD       LYS   3  -8.623  15.525   2.690
   32   2HD   LYS   3          1HD       LYS   3  -8.298  14.039   1.796
   33   1HE   LYS   3          2HE       LYS   3  -7.095  13.080   3.570
   34   2HE   LYS   3          1HE       LYS   3  -6.747  14.655   4.310
   35   1HZ   LYS   3          1HZ       LYS   3  -8.531  13.566   5.504
   36   2HZ   LYS   3          2HZ       LYS   3  -9.424  13.384   4.070
   37   3HZ   LYS   3          3HZ       LYS   3  -9.133  14.934   4.702
   38    H    ASP   4           H        ASP   4  -6.221  19.397   1.012
   39    HA   ASP   4           HA       ASP   4  -7.300  20.705  -1.433
   40   1HB   ASP   4          2HB       ASP   4  -5.773  21.451   1.013
   41   2HB   ASP   4          1HB       ASP   4  -5.435  22.391  -0.440
   42    HA   PRO   5           HA       PRO   5  -3.798  19.679  -3.904
   43   1HB   PRO   5          2HB       PRO   5  -3.147  22.017  -5.168
   44   2HB   PRO   5          1HB       PRO   5  -4.595  21.074  -5.570
   45   1HG   PRO   5          2HG       PRO   5  -4.338  23.530  -3.914
   46   2HG   PRO   5          1HG       PRO   5  -5.609  23.063  -5.053
   47   1HD   PRO   5          2HD       PRO   5  -5.855  22.857  -2.341
   48   2HD   PRO   5          1HD       PRO   5  -6.733  21.828  -3.492
   49    H    ASN   6           H        ASN   6  -3.421  22.501  -1.819
   50    HA   ASN   6           HA       ASN   6  -0.510  22.602  -1.974
   51   1HB   ASN   6          2HB       ASN   6  -2.628  23.763  -0.145
   52   2HB   ASN   6          1HB       ASN   6  -0.911  24.120   0.044
   53   1HD2  ASN   6          1HD2      ASN   6  -3.763  24.933  -1.746
   54   2HD2  ASN   6          2HD2      ASN   6  -3.024  25.986  -2.855
   55    H    ALA   7           H        ALA   7  -2.886  21.006   0.085
   56    HA   ALA   7           HA       ALA   7  -0.864  20.114   2.045
   57   1HB   ALA   7          1HB       ALA   7  -3.694  19.120   1.819
   58   2HB   ALA   7          2HB       ALA   7  -3.393  20.780   2.332
   59   3HB   ALA   7          3HB       ALA   7  -2.744  19.436   3.270
   60    HA   PRO   8           HA       PRO   8  -0.159  16.231   0.141
   61   1HB   PRO   8          2HB       PRO   8   0.241  14.592   2.264
   62   2HB   PRO   8          1HB       PRO   8   1.425  15.765   1.662
   63   1HG   PRO   8          2HG       PRO   8  -0.221  15.858   4.065
   64   2HG   PRO   8          1HG       PRO   8   1.264  16.692   3.631
   65   1HD   PRO   8          2HD       PRO   8  -1.341  17.788   3.632
   66   2HD   PRO   8          1HD       PRO   8   0.165  18.558   3.096
   67    H    LYS   9           H        LYS   9  -0.879  13.770   0.340
   68    HA   LYS   9           HA       LYS   9  -3.823  13.725   0.928
   69   1HB   LYS   9          2HB       LYS   9  -2.164  12.405  -1.244
   70   2HB   LYS   9          1HB       LYS   9  -3.883  12.099  -0.991
   71   1HG   LYS   9          2HG       LYS   9  -4.493  14.282  -1.610
   72   2HG   LYS   9          1HG       LYS   9  -2.871  14.914  -1.331
   73   1HD   LYS   9          2HD       LYS   9  -2.082  13.449  -3.244
   74   2HD   LYS   9          1HD       LYS   9  -3.778  13.117  -3.593
   75   1HE   LYS   9          2HE       LYS   9  -3.311  14.958  -5.000
   76   2HE   LYS   9          1HE       LYS   9  -4.013  15.742  -3.571
   77   1HZ   LYS   9          1HZ       LYS   9  -1.886  16.752  -4.197
   78   2HZ   LYS   9          2HZ       LYS   9  -1.113  15.251  -4.004
   79   3HZ   LYS   9          3HZ       LYS   9  -1.806  16.033  -2.664
   80    H    ARG  10           H        ARG  10  -4.558  11.314   1.164
   81    HA   ARG  10           HA       ARG  10  -3.380  10.145   3.446
   82   1HB   ARG  10          2HB       ARG  10  -4.799   8.198   2.837
   83   2HB   ARG  10          1HB       ARG  10  -5.662   9.720   2.631
   84   1HG   ARG  10          2HG       ARG  10  -5.138   9.682   0.209
   85   2HG   ARG  10          1HG       ARG  10  -4.296   8.147   0.424
   86   1HD   ARG  10          2HD       ARG  10  -6.450   7.470  -0.274
   87   2HD   ARG  10          1HD       ARG  10  -6.569   7.359   1.493
   88    HE   ARG  10           HE       ARG  10  -7.386   9.850   1.266
   89   1HH1  ARG  10          1HH1      ARG  10  -9.405   7.572   0.922
   90   2HH1  ARG  10          2HH1      ARG  10 -10.236   8.086  -0.507
   91   1HH2  ARG  10          1HH2      ARG  10  -7.816  10.402  -1.403
   92   2HH2  ARG  10          2HH2      ARG  10  -9.338   9.688  -1.824
   93    HA   PRO  11           HA       PRO  11   0.192   8.203   1.610
   94   1HB   PRO  11          2HB       PRO  11   0.930   6.627   3.720
   95   2HB   PRO  11          1HB       PRO  11   1.216   8.377   3.679
   96   1HG   PRO  11          2HG       PRO  11  -0.889   6.834   5.096
   97   2HG   PRO  11          1HG       PRO  11  -0.012   8.285   5.607
   98   1HD   PRO  11          2HD       PRO  11  -2.573   8.295   4.627
   99   2HD   PRO  11          1HD       PRO  11  -1.469   9.685   4.555
  100    HA   PRO  12           HA       PRO  12  -1.086   4.203   0.245
  101   1HB   PRO  12          2HB       PRO  12   1.174   2.655   0.360
  102   2HB   PRO  12          1HB       PRO  12   0.928   3.918  -0.863
  103   1HG   PRO  12          2HG       PRO  12   2.510   4.008   1.661
  104   2HG   PRO  12          1HG       PRO  12   2.898   4.667   0.062
  105   1HD   PRO  12          2HD       PRO  12   1.979   6.201   2.096
  106   2HD   PRO  12          1HD       PRO  12   1.637   6.560   0.389
  107    H    SER  13           H        SER  13  -0.385   1.615   1.029
  108    HA   SER  13           HA       SER  13  -0.213   1.231   3.884
  109   1HB   SER  13          2HB       SER  13  -2.378   2.301   3.918
  110   2HB   SER  13          1HB       SER  13  -2.950   1.303   2.586
  111    HG   SER  13           HG       SER  13  -3.512   0.699   4.867
  112    H    ALA  14           H        ALA  14   1.102  -0.131   1.846
  113    HA   ALA  14           HA       ALA  14   1.644  -2.333   1.273
  114   1HB   ALA  14          1HB       ALA  14  -0.753  -3.580   2.466
  115   2HB   ALA  14          2HB       ALA  14   0.188  -2.612   3.600
  116   3HB   ALA  14          3HB       ALA  14   0.952  -3.944   2.734
  117    H    PHE  15           H        PHE  15  -1.951  -2.435   1.348
  118    HA   PHE  15           HA       PHE  15  -2.202  -3.690  -1.196
  119   1HB   PHE  15          2HB       PHE  15  -3.942  -3.572   0.564
  120   2HB   PHE  15          1HB       PHE  15  -4.098  -1.838   0.290
  121    HD1  PHE  15           1HD      PHE  15  -3.830  -4.816  -1.991
  122    HD2  PHE  15           2HD      PHE  15  -6.076  -1.340  -0.836
  123    HE1  PHE  15           1HE      PHE  15  -5.434  -5.240  -3.833
  124    HE2  PHE  15           2HE      PHE  15  -7.681  -1.768  -2.677
  125    HZ   PHE  15           HZ       PHE  15  -7.360  -3.716  -4.177
  126    H    PHE  16           H        PHE  16  -1.615  -0.338  -0.363
  127    HA   PHE  16           HA       PHE  16  -2.554   0.777  -2.884
  128   1HB   PHE  16          2HB       PHE  16  -2.274   1.886  -0.567
  129   2HB   PHE  16          1HB       PHE  16  -0.558   1.987  -0.959
  130    HD1  PHE  16           1HD      PHE  16  -3.845   3.402  -1.514
  131    HD2  PHE  16           2HD      PHE  16   0.158   3.210  -3.060
  132    HE1  PHE  16           1HE      PHE  16  -4.272   5.432  -2.874
  133    HE2  PHE  16           2HE      PHE  16  -0.269   5.239  -4.419
  134    HZ   PHE  16           HZ       PHE  16  -2.485   6.350  -4.325
  135    H    LEU  17           H        LEU  17   0.530  -0.448  -1.666
  136    HA   LEU  17           HA       LEU  17   2.188   0.565  -3.817
  137   1HB   LEU  17          2HB       LEU  17   2.317  -1.629  -1.752
  138   2HB   LEU  17          1HB       LEU  17   3.536  -1.579  -3.022
  139    HG   LEU  17           HG       LEU  17   4.301  -0.367  -1.012
  140   1HD1  LEU  17          1HD1      LEU  17   5.144   1.515  -2.138
  141   2HD1  LEU  17          2HD1      LEU  17   3.671   1.725  -3.084
  142   3HD1  LEU  17          3HD1      LEU  17   4.772   0.399  -3.452
  143   1HD2  LEU  17          1HD2      LEU  17   2.014   0.302  -0.239
  144   2HD2  LEU  17          2HD2      LEU  17   1.960   1.491  -1.540
  145   3HD2  LEU  17          3HD2      LEU  17   3.156   1.645  -0.253
  146    H    PHE  18           H        PHE  18   1.390  -2.825  -3.244
  147    HA   PHE  18           HA       PHE  18   1.696  -4.065  -5.648
  148   1HB   PHE  18          2HB       PHE  18   0.848  -5.150  -3.650
  149   2HB   PHE  18          1HB       PHE  18  -0.663  -4.247  -3.748
  150    HD1  PHE  18           1HD      PHE  18  -2.440  -4.946  -5.187
  151    HD2  PHE  18           2HD      PHE  18   1.387  -6.886  -5.383
  152    HE1  PHE  18           1HE      PHE  18  -3.422  -6.741  -6.583
  153    HE2  PHE  18           2HE      PHE  18   0.403  -8.683  -6.784
  154    HZ   PHE  18           HZ       PHE  18  -2.007  -8.614  -7.381
  155    H    CYS  19           H        CYS  19  -1.452  -2.418  -4.881
  156    HA   CYS  19           HA       CYS  19  -2.516  -2.654  -7.517
  157   1HB   CYS  19          2HB       CYS  19  -3.791  -2.142  -5.451
  158   2HB   CYS  19          1HB       CYS  19  -2.996  -0.572  -5.359
  159    HG   CYS  19           HG       CYS  19  -5.421  -1.128  -7.004
  160    H    SER  20           H        SER  20  -0.692  -0.015  -5.966
  161    HA   SER  20           HA       SER  20  -0.790   1.872  -8.088
  162   1HB   SER  20          2HB       SER  20  -0.010   2.422  -5.858
  163   2HB   SER  20          1HB       SER  20   1.314   1.268  -5.989
  164    HG   SER  20           HG       SER  20   1.993   3.406  -6.430
  165    H    GLU  21           H        GLU  21   1.313  -0.957  -7.633
  166    HA   GLU  21           HA       GLU  21   2.958  -0.209  -9.971
  167   1HB   GLU  21          2HB       GLU  21   4.246  -2.208  -9.308
  168   2HB   GLU  21          1HB       GLU  21   3.965  -1.150  -7.928
  169   1HG   GLU  21          2HG       GLU  21   2.351  -2.583  -6.997
  170   2HG   GLU  21          1HG       GLU  21   2.066  -3.409  -8.525
  171    H    HIS  22           H        HIS  22   0.263  -2.375  -9.223
  172    HA   HIS  22           HA       HIS  22   0.582  -3.748 -11.848
  173   1HB   HIS  22          2HB       HIS  22  -1.093  -4.191  -9.363
  174   2HB   HIS  22          1HB       HIS  22  -1.281  -5.158 -10.826
  175    HD1  HIS  22           1HD      HIS  22   1.204  -6.160 -11.706
  176    HD2  HIS  22           2HD      HIS  22   0.742  -5.304  -7.653
  177    HE1  HIS  22           1HE      HIS  22   3.006  -7.459 -10.490
  178    H    ARG  23           H        ARG  23  -0.557  -0.869 -11.229
  179    HA   ARG  23           HA       ARG  23  -3.355  -1.116 -12.069
  180   1HB   ARG  23          2HB       ARG  23  -2.619   0.566 -10.449
  181   2HB   ARG  23          1HB       ARG  23  -1.523   1.263 -11.632
  182   1HG   ARG  23          2HG       ARG  23  -3.255   2.159 -12.914
  183   2HG   ARG  23          1HG       ARG  23  -4.435   0.999 -12.305
  184   1HD   ARG  23          2HD       ARG  23  -4.955   3.102 -11.248
  185   2HD   ARG  23          1HD       ARG  23  -4.135   2.127 -10.012
  186    HE   ARG  23           HE       ARG  23  -1.999   3.319 -10.774
  187   1HH1  ARG  23          1HH1      ARG  23  -3.358   4.844 -13.000
  188   2HH1  ARG  23          2HH1      ARG  23  -3.599   6.394 -12.265
  189   1HH2  ARG  23          1HH2      ARG  23  -3.077   5.239  -9.037
  190   2HH2  ARG  23          2HH2      ARG  23  -3.441   6.617 -10.021
  191    HA   PRO  24           HA       PRO  24  -1.626   0.739 -16.101
  192   1HB   PRO  24          2HB       PRO  24   1.059   0.671 -16.581
  193   2HB   PRO  24          1HB       PRO  24   0.259   2.033 -15.772
  194   1HG   PRO  24          2HG       PRO  24   1.885  -0.157 -14.621
  195   2HG   PRO  24          1HG       PRO  24   1.739   1.531 -14.115
  196   1HD   PRO  24          2HD       PRO  24   0.501  -0.612 -12.893
  197   2HD   PRO  24          1HD       PRO  24   0.000   1.082 -12.743
  198    H    LYS  25           H        LYS  25  -0.652  -2.204 -14.661
  199    HA   LYS  25           HA       LYS  25   0.192  -3.526 -17.158
  200   1HB   LYS  25          2HB       LYS  25   1.111  -3.931 -14.819
  201   2HB   LYS  25          1HB       LYS  25  -0.432  -4.694 -14.431
  202   1HG   LYS  25          2HG       LYS  25   0.857  -6.527 -15.102
  203   2HG   LYS  25          1HG       LYS  25   0.022  -6.099 -16.596
  204   1HD   LYS  25          2HD       LYS  25   1.992  -4.733 -17.272
  205   2HD   LYS  25          1HD       LYS  25   2.831  -5.269 -15.816
  206   1HE   LYS  25          2HE       LYS  25   2.420  -7.668 -16.617
  207   2HE   LYS  25          1HE       LYS  25   1.950  -6.955 -18.174
  208   1HZ   LYS  25          1HZ       LYS  25   4.048  -5.749 -18.214
  209   2HZ   LYS  25          2HZ       LYS  25   4.326  -7.423 -18.124
  210   3HZ   LYS  25          3HZ       LYS  25   4.506  -6.453 -16.741
  211    H    ILE  26           H        ILE  26  -2.597  -3.503 -14.949
  212    HA   ILE  26           HA       ILE  26  -4.085  -5.578 -16.311
  213    HB   ILE  26           HB       ILE  26  -4.929  -3.295 -14.487
  214   1HG1  ILE  26          2HG1      ILE  26  -3.227  -4.797 -13.504
  215   2HG1  ILE  26          1HG1      ILE  26  -4.783  -4.997 -12.705
  216   1HG2  ILE  26          1HG2      ILE  26  -6.804  -5.014 -13.960
  217   2HG2  ILE  26          2HG2      ILE  26  -6.368  -5.745 -15.505
  218   3HG2  ILE  26          3HG2      ILE  26  -6.936  -4.076 -15.448
  219   1HD1  ILE  26          1HD1      ILE  26  -3.889  -7.203 -13.110
  220   2HD1  ILE  26          2HD1      ILE  26  -3.550  -6.814 -14.796
  221   3HD1  ILE  26          3HD1      ILE  26  -5.218  -6.960 -14.243
  222    H    LYS  27           H        LYS  27  -3.493  -2.239 -17.040
  223    HA   LYS  27           HA       LYS  27  -5.944  -1.799 -18.581
  224   1HB   LYS  27          2HB       LYS  27  -3.356  -0.365 -18.034
  225   2HB   LYS  27          1HB       LYS  27  -4.445   0.227 -19.289
  226   1HG   LYS  27          2HG       LYS  27  -6.295   0.275 -17.626
  227   2HG   LYS  27          1HG       LYS  27  -5.152  -0.222 -16.377
  228   1HD   LYS  27          2HD       LYS  27  -3.918   1.802 -16.550
  229   2HD   LYS  27          1HD       LYS  27  -4.685   2.231 -18.080
  230   1HE   LYS  27          2HE       LYS  27  -6.865   2.479 -16.906
  231   2HE   LYS  27          1HE       LYS  27  -6.057   2.112 -15.368
  232   1HZ   LYS  27          1HZ       LYS  27  -4.543   3.947 -15.752
  233   2HZ   LYS  27          2HZ       LYS  27  -6.146   4.508 -15.773
  234   3HZ   LYS  27          3HZ       LYS  27  -5.296   4.303 -17.229
  235    H    SER  28           H        SER  28  -2.908  -3.342 -19.200
  236    HA   SER  28           HA       SER  28  -2.750  -2.785 -22.053
  237   1HB   SER  28          2HB       SER  28  -0.905  -3.475 -20.411
  238   2HB   SER  28          1HB       SER  28  -1.563  -5.106 -20.511
  239    HG   SER  28           HG       SER  28  -0.123  -3.636 -22.351
  240    H    GLU  29           H        GLU  29  -3.610  -5.743 -20.209
  241    HA   GLU  29           HA       GLU  29  -4.733  -7.014 -22.613
  242   1HB   GLU  29          2HB       GLU  29  -4.439  -7.749 -19.692
  243   2HB   GLU  29          1HB       GLU  29  -5.202  -8.820 -20.868
  244   1HG   GLU  29          2HG       GLU  29  -3.056  -8.486 -22.273
  245   2HG   GLU  29          1HG       GLU  29  -2.342  -7.862 -20.784
  246    H    HIS  30           H        HIS  30  -5.973  -4.624 -20.729
  247    HA   HIS  30           HA       HIS  30  -8.763  -5.467 -21.281
  248   1HB   HIS  30          2HB       HIS  30  -7.804  -4.606 -18.529
  249   2HB   HIS  30          1HB       HIS  30  -9.451  -5.045 -18.966
  250    HD1  HIS  30           1HD      HIS  30 -10.022  -7.535 -19.140
  251    HD2  HIS  30           2HD      HIS  30  -5.979  -6.833 -18.433
  252    HE1  HIS  30           1HE      HIS  30  -9.000  -9.778 -18.555
  253    HA   PRO  31           HA       PRO  31  -7.838  -1.010 -22.138
  254   1HB   PRO  31          2HB       PRO  31  -9.423  -0.882 -24.376
  255   2HB   PRO  31          1HB       PRO  31  -7.726  -1.407 -24.415
  256   1HG   PRO  31          2HG       PRO  31 -10.213  -3.063 -24.366
  257   2HG   PRO  31          1HG       PRO  31  -8.748  -3.263 -25.344
  258   1HD   PRO  31          2HD       PRO  31  -9.186  -4.750 -23.144
  259   2HD   PRO  31          1HD       PRO  31  -7.553  -4.213 -23.604
  260    H    GLY  32           H        GLY  32  -9.062   0.424 -20.982
  261   1HA   GLY  32          2HA       GLY  32 -11.086   1.640 -20.506
  262   2HA   GLY  32          1HA       GLY  32 -12.019   0.290 -21.152
  263    H    LEU  33           H        LEU  33 -10.103  -1.498 -19.436
  264    HA   LEU  33           HA       LEU  33 -11.832  -2.088 -17.304
  265   1HB   LEU  33          2HB       LEU  33  -9.658  -3.199 -18.320
  266   2HB   LEU  33          1HB       LEU  33  -8.857  -2.344 -17.007
  267    HG   LEU  33           HG       LEU  33  -9.464  -4.631 -16.318
  268   1HD1  LEU  33          1HD1      LEU  33 -10.189  -4.021 -14.216
  269   2HD1  LEU  33          2HD1      LEU  33 -11.438  -2.947 -14.844
  270   3HD1  LEU  33          3HD1      LEU  33  -9.755  -2.428 -14.838
  271   1HD2  LEU  33          1HD2      LEU  33 -11.558  -4.544 -17.906
  272   2HD2  LEU  33          2HD2      LEU  33 -12.373  -3.889 -16.485
  273   3HD2  LEU  33          3HD2      LEU  33 -11.636  -5.490 -16.419
  274    H    SER  34           H        SER  34 -12.551  -0.328 -16.090
  275    HA   SER  34           HA       SER  34 -10.869   1.763 -15.033
  276   1HB   SER  34          2HB       SER  34 -12.941   1.931 -13.451
  277   2HB   SER  34          1HB       SER  34 -13.189   2.191 -15.175
  278    HG   SER  34           HG       SER  34 -13.612  -0.203 -13.701
  279    H    ILE  35           H        ILE  35 -10.904   1.987 -12.442
  280    HA   ILE  35           HA       ILE  35  -9.245  -0.156 -11.410
  281    HB   ILE  35           HB       ILE  35 -10.588   2.225 -10.085
  282   1HG1  ILE  35          2HG1      ILE  35  -7.772   1.868 -11.167
  283   2HG1  ILE  35          1HG1      ILE  35  -9.056   2.753 -11.990
  284   1HG2  ILE  35          1HG2      ILE  35  -9.922   0.750  -8.334
  285   2HG2  ILE  35          2HG2      ILE  35  -8.606   1.917  -8.475
  286   3HG2  ILE  35          3HG2      ILE  35  -8.434   0.306  -9.172
  287   1HD1  ILE  35          1HD1      ILE  35  -7.415   4.138 -10.574
  288   2HD1  ILE  35          2HD1      ILE  35  -8.217   3.434  -9.172
  289   3HD1  ILE  35          3HD1      ILE  35  -9.135   4.423 -10.307
  290    H    GLY  36           H        GLY  36 -12.643   0.129 -11.664
  291   1HA   GLY  36          2HA       GLY  36 -13.512  -1.023  -9.201
  292   2HA   GLY  36          1HA       GLY  36 -14.400  -1.106 -10.724
  293    H    ASP  37           H        ASP  37 -13.375  -2.715 -12.357
  294    HA   ASP  37           HA       ASP  37 -13.389  -5.352 -11.217
  295   1HB   ASP  37          2HB       ASP  37 -12.716  -4.095 -13.862
  296   2HB   ASP  37          1HB       ASP  37 -12.397  -5.810 -13.619
  297    H    THR  38           H        THR  38 -10.742  -3.245 -12.345
  298    HA   THR  38           HA       THR  38  -8.567  -5.047 -12.025
  299    HB   THR  38           HB       THR  38  -8.979  -2.060 -11.978
  300    HG1  THR  38           1HG      THR  38  -7.754  -2.269 -13.871
  301   1HG2  THR  38          1HG2      THR  38  -7.088  -1.779 -10.744
  302   2HG2  THR  38          2HG2      THR  38  -6.244  -2.301 -12.202
  303   3HG2  THR  38          3HG2      THR  38  -6.609  -3.466 -10.929
  304    H    ALA  39           H        ALA  39 -10.219  -2.974  -9.655
  305    HA   ALA  39           HA       ALA  39  -8.411  -3.443  -7.452
  306   1HB   ALA  39          1HB       ALA  39 -10.437  -2.649  -6.142
  307   2HB   ALA  39          2HB       ALA  39 -11.335  -2.660  -7.660
  308   3HB   ALA  39          3HB       ALA  39  -9.955  -1.579  -7.460
  309    H    LYS  40           H        LYS  40 -11.172  -5.194  -8.764
  310    HA   LYS  40           HA       LYS  40 -11.455  -7.012  -6.494
  311   1HB   LYS  40          2HB       LYS  40 -12.514  -6.766  -9.304
  312   2HB   LYS  40          1HB       LYS  40 -12.828  -8.228  -8.370
  313   1HG   LYS  40          2HG       LYS  40 -13.673  -6.704  -6.508
  314   2HG   LYS  40          1HG       LYS  40 -13.621  -5.391  -7.685
  315   1HD   LYS  40          2HD       LYS  40 -15.287  -6.358  -9.030
  316   2HD   LYS  40          1HD       LYS  40 -15.052  -7.961  -8.331
  317   1HE   LYS  40          2HE       LYS  40 -17.101  -7.094  -7.391
  318   2HE   LYS  40          1HE       LYS  40 -15.875  -6.958  -6.114
  319   1HZ   LYS  40          1HZ       LYS  40 -15.429  -4.694  -6.819
  320   2HZ   LYS  40          2HZ       LYS  40 -17.070  -4.864  -6.415
  321   3HZ   LYS  40          3HZ       LYS  40 -16.595  -4.814  -8.045
  322    H    LYS  41           H        LYS  41  -9.659  -6.961  -9.530
  323    HA   LYS  41           HA       LYS  41  -8.866  -9.798  -9.319
  324   1HB   LYS  41          2HB       LYS  41  -9.358  -8.421 -11.434
  325   2HB   LYS  41          1HB       LYS  41  -7.796  -7.650 -11.160
  326   1HG   LYS  41          2HG       LYS  41  -6.768  -9.960 -11.102
  327   2HG   LYS  41          1HG       LYS  41  -8.327 -10.595 -11.630
  328   1HD   LYS  41          2HD       LYS  41  -6.976  -8.371 -13.150
  329   2HD   LYS  41          1HD       LYS  41  -6.549 -10.057 -13.448
  330   1HE   LYS  41          2HE       LYS  41  -9.088 -10.470 -13.721
  331   2HE   LYS  41          1HE       LYS  41  -9.223  -8.705 -13.860
  332   1HZ   LYS  41          1HZ       LYS  41  -7.427 -10.445 -15.470
  333   2HZ   LYS  41          2HZ       LYS  41  -7.514  -8.751 -15.577
  334   3HZ   LYS  41          3HZ       LYS  41  -8.846  -9.703 -16.031
  335    H    LEU  42           H        LEU  42  -7.638  -6.670  -8.373
  336    HA   LEU  42           HA       LEU  42  -4.842  -7.516  -8.090
  337   1HB   LEU  42          2HB       LEU  42  -6.521  -5.109  -7.827
  338   2HB   LEU  42          1HB       LEU  42  -5.210  -5.186  -6.654
  339    HG   LEU  42           HG       LEU  42  -3.593  -5.551  -8.480
  340   1HD1  LEU  42          1HD1      LEU  42  -6.005  -6.056  -9.991
  341   2HD1  LEU  42          2HD1      LEU  42  -4.330  -6.310 -10.471
  342   3HD1  LEU  42          3HD1      LEU  42  -5.096  -4.749 -10.752
  343   1HD2  LEU  42          1HD2      LEU  42  -3.546  -3.297  -9.193
  344   2HD2  LEU  42          2HD2      LEU  42  -4.414  -3.253  -7.658
  345   3HD2  LEU  42          3HD2      LEU  42  -5.304  -3.168  -9.178
  346    H    GLY  43           H        GLY  43  -7.273  -6.347  -5.722
  347   1HA   GLY  43          2HA       GLY  43  -5.946  -7.105  -3.369
  348   2HA   GLY  43          1HA       GLY  43  -7.704  -7.030  -3.507
  349    H    GLU  44           H        GLU  44  -7.669  -9.112  -5.662
  350    HA   GLU  44           HA       GLU  44  -7.897 -11.467  -3.972
  351   1HB   GLU  44          2HB       GLU  44  -9.197 -10.898  -6.091
  352   2HB   GLU  44          1HB       GLU  44  -7.730 -11.266  -6.999
  353   1HG   GLU  44          2HG       GLU  44  -7.783 -13.541  -6.409
  354   2HG   GLU  44          1HG       GLU  44  -8.844 -13.254  -5.030
  355    H    MET  45           H        MET  45  -5.534 -10.218  -6.315
  356    HA   MET  45           HA       MET  45  -3.757 -12.533  -6.086
  357   1HB   MET  45          2HB       MET  45  -3.739  -9.814  -7.390
  358   2HB   MET  45          1HB       MET  45  -2.261 -10.774  -7.337
  359   1HG   MET  45          2HG       MET  45  -3.294 -12.583  -8.536
  360   2HG   MET  45          1HG       MET  45  -4.890 -11.848  -8.385
  361   1HE   MET  45          1HE       MET  45  -1.624 -12.102 -10.397
  362   2HE   MET  45          2HE       MET  45  -1.299 -10.804  -9.252
  363   3HE   MET  45          3HE       MET  45  -1.373 -10.450 -10.975
  364    H    TRP  46           H        TRP  46  -3.855  -9.185  -4.833
  365    HA   TRP  46           HA       TRP  46  -1.350  -9.061  -3.512
  366   1HB   TRP  46          2HB       TRP  46  -2.876  -7.174  -3.780
  367   2HB   TRP  46          1HB       TRP  46  -4.082  -7.948  -2.763
  368    HD1  TRP  46           HD       TRP  46  -4.092  -6.899  -0.444
  369    HE1  TRP  46           1HE      TRP  46  -2.321  -5.947   1.169
  370    HE3  TRP  46           3HE      TRP  46   0.087  -7.556  -3.270
  371    HZ2  TRP  46           2HZ      TRP  46   0.510  -5.523   1.242
  372    HZ3  TRP  46           3HZ      TRP  46   2.314  -6.874  -2.415
  373    HH2  TRP  46           HH       TRP  46   2.525  -5.863  -0.167
  374    H    SER  47           H        SER  47  -4.490 -10.236  -2.242
  375    HA   SER  47           HA       SER  47  -3.536 -11.063   0.327
  376   1HB   SER  47          2HB       SER  47  -5.898 -11.374  -1.404
  377   2HB   SER  47          1HB       SER  47  -5.651 -12.725  -0.302
  378    HG   SER  47           HG       SER  47  -6.090 -10.002   0.244
  379    H    GLU  48           H        GLU  48  -2.884 -12.379  -2.792
  380    HA   GLU  48           HA       GLU  48  -2.329 -15.088  -1.720
  381   1HB   GLU  48          2HB       GLU  48  -2.868 -13.795  -4.367
  382   2HB   GLU  48          1HB       GLU  48  -1.892 -15.264  -4.351
  383   1HG   GLU  48          2HG       GLU  48  -4.517 -15.119  -2.871
  384   2HG   GLU  48          1HG       GLU  48  -4.450 -15.546  -4.582
  385    H    GLN  49           H        GLN  49  -0.729 -12.102  -2.465
  386    HA   GLN  49           HA       GLN  49   1.777 -13.063  -3.447
  387   1HB   GLN  49          2HB       GLN  49   1.063 -10.661  -1.722
  388   2HB   GLN  49          1HB       GLN  49   2.572 -10.845  -2.612
  389   1HG   GLN  49          2HG       GLN  49  -0.194 -10.767  -3.846
  390   2HG   GLN  49          1HG       GLN  49   0.965  -9.444  -3.856
  391   1HE2  GLN  49          1HE2      GLN  49  -0.099 -10.817  -6.243
  392   2HE2  GLN  49          2HE2      GLN  49   1.231 -11.517  -7.031
  393    H    SER  50           H        SER  50   3.584 -13.808  -2.346
  394    HA   SER  50           HA       SER  50   3.196 -14.591   0.489
  395   1HB   SER  50          2HB       SER  50   5.135 -16.053  -0.012
  396   2HB   SER  50          1HB       SER  50   3.884 -16.239  -1.238
  397    HG   SER  50           HG       SER  50   6.347 -15.696  -1.691
  398    H    ALA  51           H        ALA  51   6.522 -14.322  -0.114
  399    HA   ALA  51           HA       ALA  51   6.606 -11.712   1.335
  400   1HB   ALA  51          1HB       ALA  51   7.651 -13.517   2.517
  401   2HB   ALA  51          2HB       ALA  51   8.970 -12.572   1.827
  402   3HB   ALA  51          3HB       ALA  51   8.474 -14.082   1.063
  403    H    LYS  52           H        LYS  52   7.333 -13.194  -1.718
  404    HA   LYS  52           HA       LYS  52   9.516 -11.496  -2.552
  405   1HB   LYS  52          2HB       LYS  52   8.557 -13.754  -3.470
  406   2HB   LYS  52          1HB       LYS  52   7.466 -12.719  -4.391
  407   1HG   LYS  52          2HG       LYS  52   9.530 -11.459  -5.188
  408   2HG   LYS  52          1HG       LYS  52  10.490 -12.761  -4.485
  409   1HD   LYS  52          2HD       LYS  52  10.178 -13.333  -6.790
  410   2HD   LYS  52          1HD       LYS  52   9.090 -14.374  -5.873
  411   1HE   LYS  52          2HE       LYS  52   7.193 -12.918  -6.369
  412   2HE   LYS  52          1HE       LYS  52   8.262 -11.762  -7.189
  413   1HZ   LYS  52          1HZ       LYS  52   8.923 -13.493  -8.727
  414   2HZ   LYS  52          2HZ       LYS  52   7.235 -13.304  -8.768
  415   3HZ   LYS  52          3HZ       LYS  52   7.926 -14.618  -7.942
  416    H    ASP  53           H        ASP  53   5.981 -11.343  -3.137
  417    HA   ASP  53           HA       ASP  53   6.340  -8.489  -3.999
  418   1HB   ASP  53          2HB       ASP  53   4.784 -10.809  -4.976
  419   2HB   ASP  53          1HB       ASP  53   3.901  -9.283  -4.941
  420    H    LYS  54           H        LYS  54   6.221  -8.610  -1.377
  421    HA   LYS  54           HA       LYS  54   3.712  -7.371  -0.651
  422   1HB   LYS  54          2HB       LYS  54   3.642 -10.084  -0.743
  423   2HB   LYS  54          1HB       LYS  54   4.135  -9.831   0.924
  424   1HG   LYS  54          2HG       LYS  54   2.194  -8.112   1.024
  425   2HG   LYS  54          1HG       LYS  54   1.632  -8.858  -0.466
  426   1HD   LYS  54          2HD       LYS  54   0.512  -9.908   1.418
  427   2HD   LYS  54          1HD       LYS  54   1.621 -11.064   0.683
  428   1HE   LYS  54          2HE       LYS  54   3.207 -10.842   2.441
  429   2HE   LYS  54          1HE       LYS  54   2.459  -9.343   3.029
  430   1HZ   LYS  54          1HZ       LYS  54   1.274 -12.066   3.062
  431   2HZ   LYS  54          2HZ       LYS  54   0.402 -10.652   3.415
  432   3HZ   LYS  54          3HZ       LYS  54   1.700 -11.123   4.405
  433    H    GLN  55           H        GLN  55   6.794  -8.787   0.374
  434    HA   GLN  55           HA       GLN  55   6.776  -7.660   3.046
  435   1HB   GLN  55          2HB       GLN  55   8.662  -9.052   1.202
  436   2HB   GLN  55          1HB       GLN  55   9.366  -8.158   2.549
  437   1HG   GLN  55          2HG       GLN  55   7.135 -10.183   2.868
  438   2HG   GLN  55          1HG       GLN  55   8.843 -10.573   3.071
  439   1HE2  GLN  55          1HE2      GLN  55   6.123  -9.641   4.803
  440   2HE2  GLN  55          2HE2      GLN  55   6.890  -8.949   6.149
  441    HA   PRO  56           HA       PRO  56   9.687  -4.343   1.194
  442   1HB   PRO  56          2HB       PRO  56   9.855  -4.100  -1.527
  443   2HB   PRO  56          1HB       PRO  56  10.939  -5.136  -0.576
  444   1HG   PRO  56          2HG       PRO  56   8.535  -5.875  -2.172
  445   2HG   PRO  56          1HG       PRO  56  10.085  -6.717  -2.011
  446   1HD   PRO  56          2HD       PRO  56   7.840  -7.473  -0.699
  447   2HD   PRO  56          1HD       PRO  56   9.474  -7.742  -0.053
  448    H    TYR  57           H        TYR  57   6.533  -5.076   0.029
  449    HA   TYR  57           HA       TYR  57   5.969  -2.363  -0.977
  450   1HB   TYR  57          2HB       TYR  57   4.414  -4.927  -0.580
  451   2HB   TYR  57          1HB       TYR  57   3.633  -3.440  -1.123
  452    HD1  TYR  57           1HD      TYR  57   4.745  -6.379  -2.375
  453    HD2  TYR  57           2HD      TYR  57   5.437  -2.176  -2.935
  454    HE1  TYR  57           1HE      TYR  57   5.529  -6.814  -4.688
  455    HE2  TYR  57           2HE      TYR  57   6.222  -2.613  -5.246
  456    HH   TYR  57           HH       TYR  57   7.323  -4.944  -6.400
  457    H    GLU  58           H        GLU  58   5.239  -4.341   1.895
  458    HA   GLU  58           HA       GLU  58   3.496  -2.357   3.112
  459   1HB   GLU  58          2HB       GLU  58   3.769  -3.844   5.107
  460   2HB   GLU  58          1HB       GLU  58   3.327  -4.725   3.649
  461   1HG   GLU  58          2HG       GLU  58   5.301  -5.854   3.581
  462   2HG   GLU  58          1HG       GLU  58   6.233  -4.433   4.048
  463    H    GLN  59           H        GLN  59   6.967  -2.860   3.014
  464    HA   GLN  59           HA       GLN  59   7.595  -1.254   5.361
  465   1HB   GLN  59          2HB       GLN  59   9.168  -2.174   2.927
  466   2HB   GLN  59          1HB       GLN  59   9.896  -1.393   4.328
  467   1HG   GLN  59          2HG       GLN  59   8.374  -4.017   4.326
  468   2HG   GLN  59          1HG       GLN  59  10.112  -3.824   4.533
  469   1HE2  GLN  59          1HE2      GLN  59   9.832  -1.418   6.294
  470   2HE2  GLN  59          2HE2      GLN  59   9.244  -1.994   7.774
  471    H    LYS  60           H        LYS  60   8.313  -0.647   1.902
  472    HA   LYS  60           HA       LYS  60   8.890   2.061   1.946
  473   1HB   LYS  60          2HB       LYS  60   8.830   0.355   0.033
  474   2HB   LYS  60          1HB       LYS  60   7.124   0.768  -0.142
  475   1HG   LYS  60          2HG       LYS  60   7.863   3.204  -0.305
  476   2HG   LYS  60          1HG       LYS  60   9.512   2.597  -0.460
  477   1HD   LYS  60          2HD       LYS  60   8.789   1.222  -2.411
  478   2HD   LYS  60          1HD       LYS  60   7.182   1.940  -2.286
  479   1HE   LYS  60          2HE       LYS  60   9.599   3.731  -2.487
  480   2HE   LYS  60          1HE       LYS  60   8.889   3.019  -3.950
  481   1HZ   LYS  60          1HZ       LYS  60   7.412   4.550  -1.874
  482   2HZ   LYS  60          2HZ       LYS  60   6.721   3.837  -3.253
  483   3HZ   LYS  60          3HZ       LYS  60   7.818   5.123  -3.417
  484    H    ALA  61           H        ALA  61   5.693   0.610   2.314
  485    HA   ALA  61           HA       ALA  61   4.291   3.190   2.009
  486   1HB   ALA  61          1HB       ALA  61   3.091   0.691   3.162
  487   2HB   ALA  61          2HB       ALA  61   3.556   0.698   1.461
  488   3HB   ALA  61          3HB       ALA  61   2.371   1.862   2.057
  489    H    ALA  62           H        ALA  62   5.288   0.934   4.566
  490    HA   ALA  62           HA       ALA  62   3.988   2.104   6.805
  491   1HB   ALA  62          1HB       ALA  62   5.884   1.044   8.056
  492   2HB   ALA  62          2HB       ALA  62   6.715   0.793   6.521
  493   3HB   ALA  62          3HB       ALA  62   5.190  -0.033   6.844
  494    H    LYS  63           H        LYS  63   7.341   2.744   5.641
  495    HA   LYS  63           HA       LYS  63   7.806   4.978   7.389
  496   1HB   LYS  63          2HB       LYS  63   9.398   3.461   5.983
  497   2HB   LYS  63          1HB       LYS  63   9.059   4.589   4.670
  498   1HG   LYS  63          2HG       LYS  63  10.858   5.690   5.576
  499   2HG   LYS  63          1HG       LYS  63   9.605   6.363   6.621
  500   1HD   LYS  63          2HD       LYS  63  10.040   4.452   8.219
  501   2HD   LYS  63          1HD       LYS  63  11.432   4.023   7.225
  502   1HE   LYS  63          2HE       LYS  63  12.377   5.420   8.886
  503   2HE   LYS  63          1HE       LYS  63  12.103   6.547   7.542
  504   1HZ   LYS  63          1HZ       LYS  63   9.958   7.110   8.470
  505   2HZ   LYS  63          2HZ       LYS  63  11.167   7.387   9.631
  506   3HZ   LYS  63          3HZ       LYS  63  10.178   6.010   9.743
  507    H    LEU  64           H        LEU  64   5.906   4.663   4.514
  508    HA   LEU  64           HA       LEU  64   6.086   7.490   3.715
  509   1HB   LEU  64          2HB       LEU  64   4.813   4.955   2.818
  510   2HB   LEU  64          1HB       LEU  64   3.955   6.436   2.393
  511    HG   LEU  64           HG       LEU  64   6.907   6.016   1.864
  512   1HD1  LEU  64          1HD1      LEU  64   5.179   4.463   0.649
  513   2HD1  LEU  64          2HD1      LEU  64   6.413   5.286  -0.305
  514   3HD1  LEU  64          3HD1      LEU  64   4.769   5.924  -0.250
  515   1HD2  LEU  64          1HD2      LEU  64   4.846   8.070   1.023
  516   2HD2  LEU  64          2HD2      LEU  64   6.407   7.903   0.220
  517   3HD2  LEU  64          3HD2      LEU  64   6.336   8.345   1.925
  518    H    LYS  65           H        LYS  65   3.876   5.327   5.440
  519    HA   LYS  65           HA       LYS  65   1.692   7.155   5.780
  520   1HB   LYS  65          2HB       LYS  65   1.593   4.704   6.116
  521   2HB   LYS  65          1HB       LYS  65   2.685   4.848   7.493
  522   1HG   LYS  65          2HG       LYS  65   0.956   6.455   8.499
  523   2HG   LYS  65          1HG       LYS  65  -0.146   5.880   7.247
  524   1HD   LYS  65          2HD       LYS  65  -0.123   3.666   8.077
  525   2HD   LYS  65          1HD       LYS  65   1.333   3.949   9.032
  526   1HE   LYS  65          2HE       LYS  65  -0.114   5.719  10.298
  527   2HE   LYS  65          1HE       LYS  65  -1.491   4.845   9.598
  528   1HZ   LYS  65          1HZ       LYS  65   0.728   3.651  11.175
  529   2HZ   LYS  65          2HZ       LYS  65  -0.517   2.770  10.425
  530   3HZ   LYS  65          3HZ       LYS  65  -0.875   3.842  11.694
  531    H    GLU  66           H        GLU  66   4.280   6.196   8.043
  532    HA   GLU  66           HA       GLU  66   3.783   8.019  10.139
  533   1HB   GLU  66          2HB       GLU  66   6.289   6.765   9.001
  534   2HB   GLU  66          1HB       GLU  66   6.330   7.747  10.465
  535   1HG   GLU  66          2HG       GLU  66   4.751   6.267  11.568
  536   2HG   GLU  66          1HG       GLU  66   4.528   5.340  10.083
  537    H    LYS  67           H        LYS  67   5.340   8.565   7.025
  538    HA   LYS  67           HA       LYS  67   6.540  11.125   7.633
  539   1HB   LYS  67          2HB       LYS  67   7.065   9.554   5.720
  540   2HB   LYS  67          1HB       LYS  67   5.540  10.042   4.980
  541   1HG   LYS  67          2HG       LYS  67   7.178  11.453   3.990
  542   2HG   LYS  67          1HG       LYS  67   6.389  12.456   5.209
  543   1HD   LYS  67          2HD       LYS  67   8.196  12.113   6.769
  544   2HD   LYS  67          1HD       LYS  67   8.936  10.899   5.723
  545   1HE   LYS  67          2HE       LYS  67   9.663  12.500   4.161
  546   2HE   LYS  67          1HE       LYS  67   8.475  13.703   4.703
  547   1HZ   LYS  67          1HZ       LYS  67  10.737  12.660   6.326
  548   2HZ   LYS  67          2HZ       LYS  67   9.593  13.807   6.839
  549   3HZ   LYS  67          3HZ       LYS  67  10.683  14.188   5.592
  550    H    TYR  68           H        TYR  68   3.332  10.089   6.632
  551    HA   TYR  68           HA       TYR  68   2.301  12.664   5.818
  552   1HB   TYR  68          2HB       TYR  68   1.397  10.342   5.342
  553   2HB   TYR  68          1HB       TYR  68   0.835  10.285   7.009
  554    HD1  TYR  68           1HD      TYR  68  -1.462  10.618   7.134
  555    HD2  TYR  68           2HD      TYR  68   0.836  12.935   4.341
  556    HE1  TYR  68           1HE      TYR  68  -3.510  11.851   6.473
  557    HE2  TYR  68           2HE      TYR  68  -1.211  14.169   3.682
  558    HH   TYR  68           HH       TYR  68  -4.208  13.167   4.201
  559    H    GLU  69           H        GLU  69   2.472  10.931   8.892
  560    HA   GLU  69           HA       GLU  69   0.793  12.563  10.499
  561   1HB   GLU  69          2HB       GLU  69   3.360  11.077  11.154
  562   2HB   GLU  69          1HB       GLU  69   2.188  11.633  12.350
  563   1HG   GLU  69          2HG       GLU  69   0.507  10.294  10.754
  564   2HG   GLU  69          1HG       GLU  69   1.980   9.394  10.388
  565    H    LYS  70           H        LYS  70   4.246  12.930   9.665
  566    HA   LYS  70           HA       LYS  70   4.546  15.373  11.269
  567   1HB   LYS  70          2HB       LYS  70   6.203  13.696   9.391
  568   2HB   LYS  70          1HB       LYS  70   6.770  15.300   9.854
  569   1HG   LYS  70          2HG       LYS  70   7.720  14.024  11.543
  570   2HG   LYS  70          1HG       LYS  70   6.180  14.448  12.293
  571   1HD   LYS  70          2HD       LYS  70   5.209  12.318  11.566
  572   2HD   LYS  70          1HD       LYS  70   6.715  11.893  10.749
  573   1HE   LYS  70          2HE       LYS  70   6.976  10.786  12.802
  574   2HE   LYS  70          1HE       LYS  70   7.765  12.337  13.151
  575   1HZ   LYS  70          1HZ       LYS  70   5.667  13.191  13.976
  576   2HZ   LYS  70          2HZ       LYS  70   6.101  11.793  14.837
  577   3HZ   LYS  70          3HZ       LYS  70   4.899  11.716  13.640
  578    H    ASP  71           H        ASP  71   4.066  14.447   7.900
  579    HA   ASP  71           HA       ASP  71   4.426  17.028   6.682
  580   1HB   ASP  71          2HB       ASP  71   3.309  14.363   6.056
  581   2HB   ASP  71          1HB       ASP  71   2.586  15.677   5.135
  582    H    ILE  72           H        ILE  72   1.468  15.283   7.664
  583    HA   ILE  72           HA       ILE  72  -0.366  17.427   7.171
  584    HB   ILE  72           HB       ILE  72  -0.318  14.929   8.879
  585   1HG1  ILE  72          2HG1      ILE  72  -0.514  14.745   6.420
  586   2HG1  ILE  72          1HG1      ILE  72  -1.968  14.172   7.232
  587   1HG2  ILE  72          1HG2      ILE  72  -2.855  15.327   9.127
  588   2HG2  ILE  72          2HG2      ILE  72  -2.508  17.016   8.757
  589   3HG2  ILE  72          3HG2      ILE  72  -1.799  16.261  10.185
  590   1HD1  ILE  72          1HD1      ILE  72  -1.758  16.215   5.248
  591   2HD1  ILE  72          2HD1      ILE  72  -2.269  16.983   6.750
  592   3HD1  ILE  72          3HD1      ILE  72  -3.209  15.653   6.076
  593    H    ALA  73           H        ALA  73   1.622  16.594   9.989
  594    HA   ALA  73           HA       ALA  73   0.496  18.290  11.958
  595   1HB   ALA  73          1HB       ALA  73   2.249  16.609  12.347
  596   2HB   ALA  73          2HB       ALA  73   2.784  18.182  12.938
  597   3HB   ALA  73          3HB       ALA  73   3.392  17.563  11.402
  598    H    ALA  74           H        ALA  74   3.028  19.054   9.546
  599    HA   ALA  74           HA       ALA  74   3.385  21.802  10.347
  600   1HB   ALA  74          1HB       ALA  74   3.920  20.260   7.791
  601   2HB   ALA  74          2HB       ALA  74   5.066  20.599   9.087
  602   3HB   ALA  74          3HB       ALA  74   4.480  21.910   8.063
  603    H    TYR  75           H        TYR  75   0.938  20.199   8.476
  604    HA   TYR  75           HA       TYR  75  -0.023  22.791   7.338
  605   1HB   TYR  75          2HB       TYR  75   0.426  20.786   5.879
  606   2HB   TYR  75          1HB       TYR  75  -0.852  19.933   6.744
  607    HD1  TYR  75           1HD      TYR  75  -3.157  20.340   6.270
  608    HD2  TYR  75           2HD      TYR  75  -0.126  22.890   4.609
  609    HE1  TYR  75           1HE      TYR  75  -4.852  21.400   4.801
  610    HE2  TYR  75           2HE      TYR  75  -1.821  23.951   3.142
  611    HH   TYR  75           HH       TYR  75  -5.003  23.818   3.617
  612    H    ARG  76           H        ARG  76  -0.546  20.702   9.956
  613    HA   ARG  76           HA       ARG  76  -3.422  20.723  10.171
  614   1HB   ARG  76          2HB       ARG  76  -1.688  19.260  11.355
  615   2HB   ARG  76          1HB       ARG  76  -1.395  20.635  12.420
  616   1HG   ARG  76          2HG       ARG  76  -3.568  20.563  13.319
  617   2HG   ARG  76          1HG       ARG  76  -4.194  19.615  11.969
  618   1HD   ARG  76          2HD       ARG  76  -2.795  17.683  12.706
  619   2HD   ARG  76          1HD       ARG  76  -2.272  18.634  14.111
  620    HE   ARG  76           HE       ARG  76  -5.191  18.288  13.634
  621   1HH1  ARG  76          1HH2      ARG  76  -3.846  15.833  14.776
  622   2HH1  ARG  76          2HH2      ARG  76  -4.020  16.101  16.479
  623   1HH2  ARG  76          1HH1      ARG  76  -4.772  19.469  16.141
  624   2HH2  ARG  76          2HH1      ARG  76  -4.544  18.160  17.252
  625    H    ALA  77           H        ALA  77  -1.023  22.596  12.074
  626    HA   ALA  77           HA       ALA  77  -3.111  24.592  12.741
  627   1HB   ALA  77          1HB       ALA  77  -1.549  23.587  14.423
  628   2HB   ALA  77          2HB       ALA  77  -1.427  25.344  14.348
  629   3HB   ALA  77          3HB       ALA  77  -0.201  24.343  13.571
  630    H    LYS  78           H        LYS  78  -3.021  25.143  10.261
  631    HA   LYS  78           HA       LYS  78  -1.269  27.518   9.953
  632   1HB   LYS  78          2HB       LYS  78  -0.165  25.348   9.102
  633   2HB   LYS  78          1HB       LYS  78  -1.387  25.369   7.829
  634   1HG   LYS  78          2HG       LYS  78   0.452  26.513   6.878
  635   2HG   LYS  78          1HG       LYS  78  -0.632  27.801   7.405
  636   1HD   LYS  78          2HD       LYS  78   1.472  28.488   8.220
  637   2HD   LYS  78          1HD       LYS  78   0.710  27.737   9.623
  638   1HE   LYS  78          2HE       LYS  78   1.871  25.546   8.784
  639   2HE   LYS  78          1HE       LYS  78   2.916  26.657   7.876
  640   1HZ   LYS  78          1HZ       LYS  78   3.332  27.886   9.911
  641   2HZ   LYS  78          2HZ       LYS  78   3.785  26.261  10.108
  642   3HZ   LYS  78          3HZ       LYS  78   2.335  26.830  10.786
  Start of MODEL   12
    1   1H    MET   1          1HT       MET   1 -11.824  20.973   0.262
    2   2H    MET   1          2HT       MET   1 -13.446  21.305  -0.120
    3   3H    MET   1          3HT       MET   1 -12.306  21.081  -1.360
    4    HA   MET   1           HA       MET   1 -13.042  18.960   0.589
    5   1HB   MET   1          2HB       MET   1 -14.459  18.131  -1.287
    6   2HB   MET   1          1HB       MET   1 -14.984  19.715  -0.717
    7   1HG   MET   1          2HG       MET   1 -13.886  20.817  -2.571
    8   2HG   MET   1          1HG       MET   1 -13.131  19.308  -3.082
    9   1HE   MET   1          1HE       MET   1 -14.229  19.663  -5.665
   10   2HE   MET   1          2HE       MET   1 -14.511  21.196  -4.844
   11   3HE   MET   1          3HE       MET   1 -15.819  20.434  -5.745
   12    H    LYS   2           H        LYS   2 -12.365  16.822  -0.320
   13    HA   LYS   2           HA       LYS   2 -10.670  15.406  -1.158
   14   1HB   LYS   2          2HB       LYS   2 -11.937  16.390  -3.196
   15   2HB   LYS   2          1HB       LYS   2 -10.509  17.399  -3.422
   16   1HG   LYS   2          2HG       LYS   2  -9.104  15.533  -3.793
   17   2HG   LYS   2          1HG       LYS   2 -10.277  14.407  -3.105
   18   1HD   LYS   2          2HD       LYS   2 -11.705  14.565  -4.989
   19   2HD   LYS   2          1HD       LYS   2 -10.905  16.023  -5.577
   20   1HE   LYS   2          2HE       LYS   2  -9.027  14.833  -6.357
   21   2HE   LYS   2          1HE       LYS   2  -9.368  13.436  -5.316
   22   1HZ   LYS   2          1HZ       LYS   2 -11.082  14.377  -7.556
   23   2HZ   LYS   2          2HZ       LYS   2 -11.405  13.046  -6.550
   24   3HZ   LYS   2          3HZ       LYS   2 -10.071  13.016  -7.602
   25    H    LYS   3           H        LYS   3  -9.512  16.792   0.768
   26    HA   LYS   3           HA       LYS   3  -7.493  17.732   1.557
   27   1HB   LYS   3          2HB       LYS   3  -6.980  15.985  -0.746
   28   2HB   LYS   3          1HB       LYS   3  -5.700  17.172  -0.499
   29   1HG   LYS   3          2HG       LYS   3  -4.981  15.466   0.908
   30   2HG   LYS   3          1HG       LYS   3  -5.933  16.438   2.030
   31   1HD   LYS   3          2HD       LYS   3  -7.364  14.329   0.475
   32   2HD   LYS   3          1HD       LYS   3  -6.321  13.805   1.796
   33   1HE   LYS   3          2HE       LYS   3  -8.318  16.031   2.221
   34   2HE   LYS   3          1HE       LYS   3  -8.800  14.329   2.375
   35   1HZ   LYS   3          1HZ       LYS   3  -7.989  15.168   4.489
   36   2HZ   LYS   3          2HZ       LYS   3  -6.519  15.629   3.772
   37   3HZ   LYS   3          3HZ       LYS   3  -6.935  13.985   3.886
   38    H    ASP   4           H        ASP   4  -5.385  18.986   0.278
   39    HA   ASP   4           HA       ASP   4  -6.527  21.084  -1.497
   40   1HB   ASP   4          2HB       ASP   4  -5.758  21.307   1.359
   41   2HB   ASP   4          1HB       ASP   4  -5.158  22.597   0.317
   42    HA   PRO   5           HA       PRO   5  -2.462  21.106  -3.200
   43   1HB   PRO   5          2HB       PRO   5  -1.880  23.751  -3.596
   44   2HB   PRO   5          1HB       PRO   5  -3.057  22.862  -4.584
   45   1HG   PRO   5          2HG       PRO   5  -3.520  24.736  -2.319
   46   2HG   PRO   5          1HG       PRO   5  -4.424  24.545  -3.829
   47   1HD   PRO   5          2HD       PRO   5  -5.261  23.530  -1.445
   48   2HD   PRO   5          1HD       PRO   5  -5.676  22.810  -3.016
   49    H    ASN   6           H        ASN   6  -2.960  23.196  -0.406
   50    HA   ASN   6           HA       ASN   6  -0.120  23.529   0.207
   51   1HB   ASN   6          2HB       ASN   6  -2.720  24.000   1.696
   52   2HB   ASN   6          1HB       ASN   6  -1.142  24.435   2.354
   53   1HD2  ASN   6          1HD2      ASN   6  -3.687  25.525   0.323
   54   2HD2  ASN   6          2HD2      ASN   6  -2.885  26.861  -0.350
   55    H    ALA   7           H        ALA   7  -2.680  21.272   1.071
   56    HA   ALA   7           HA       ALA   7  -1.351  20.056   3.343
   57   1HB   ALA   7          1HB       ALA   7  -3.768  19.931   2.936
   58   2HB   ALA   7          2HB       ALA   7  -3.087  18.305   2.959
   59   3HB   ALA   7          3HB       ALA   7  -3.487  19.072   1.422
   60    HA   PRO   8           HA       PRO   8   1.386  17.418   1.165
   61   1HB   PRO   8          2HB       PRO   8   1.767  15.452   3.002
   62   2HB   PRO   8          1HB       PRO   8   2.506  17.061   3.076
   63   1HG   PRO   8          2HG       PRO   8   0.385  15.936   4.710
   64   2HG   PRO   8          1HG       PRO   8   1.407  17.350   4.938
   65   1HD   PRO   8          2HD       PRO   8  -1.316  17.299   4.073
   66   2HD   PRO   8          1HD       PRO   8  -0.273  18.704   4.372
   67    H    LYS   9           H        LYS   9   1.698  14.980   0.587
   68    HA   LYS   9           HA       LYS   9  -0.595  14.017  -0.811
   69   1HB   LYS   9          2HB       LYS   9   2.024  12.802   0.083
   70   2HB   LYS   9          1HB       LYS   9   0.866  11.897  -0.894
   71   1HG   LYS   9          2HG       LYS   9   0.894  13.854  -2.523
   72   2HG   LYS   9          1HG       LYS   9   2.276  14.474  -1.618
   73   1HD   LYS   9          2HD       LYS   9   3.293  13.219  -3.325
   74   2HD   LYS   9          1HD       LYS   9   3.276  12.094  -1.965
   75   1HE   LYS   9          2HE       LYS   9   2.417  10.787  -3.740
   76   2HE   LYS   9          1HE       LYS   9   0.942  11.368  -2.941
   77   1HZ   LYS   9          1HZ       LYS   9   2.304  12.754  -5.189
   78   2HZ   LYS   9          2HZ       LYS   9   0.843  13.215  -4.454
   79   3HZ   LYS   9          3HZ       LYS   9   0.926  11.779  -5.358
   80    H    ARG  10           H        ARG  10  -1.081  11.465  -0.355
   81    HA   ARG  10           HA       ARG  10  -2.261  11.400   2.392
   82   1HB   ARG  10          2HB       ARG  10  -2.868   9.872  -0.162
   83   2HB   ARG  10          1HB       ARG  10  -3.784   9.739   1.339
   84   1HG   ARG  10          2HG       ARG  10  -3.976  12.353   1.122
   85   2HG   ARG  10          1HG       ARG  10  -3.618  12.045  -0.578
   86   1HD   ARG  10          2HD       ARG  10  -5.662  10.233   0.548
   87   2HD   ARG  10          1HD       ARG  10  -6.146  11.940   0.498
   88    HE   ARG  10           HE       ARG  10  -5.912  11.909  -1.887
   89   1HH1  ARG  10          1HH2      ARG  10  -3.380  10.320  -2.055
   90   2HH1  ARG  10          2HH2      ARG  10  -3.923   8.846  -2.785
   91   1HH2  ARG  10          1HH1      ARG  10  -7.272   9.433  -2.107
   92   2HH2  ARG  10          2HH1      ARG  10  -6.126   8.344  -2.814
   93    HA   PRO  11           HA       PRO  11   0.473   8.097   3.473
   94   1HB   PRO  11          2HB       PRO  11  -1.026   6.776   5.341
   95   2HB   PRO  11          1HB       PRO  11  -0.248   8.340   5.657
   96   1HG   PRO  11          2HG       PRO  11  -3.084   7.739   4.997
   97   2HG   PRO  11          1HG       PRO  11  -2.414   8.930   6.122
   98   1HD   PRO  11          2HD       PRO  11  -3.350   9.554   3.633
   99   2HD   PRO  11          1HD       PRO  11  -2.105  10.493   4.485
  100    HA   PRO  12           HA       PRO  12  -1.377   5.028   0.689
  101   1HB   PRO  12          2HB       PRO  12   0.939   3.670   0.146
  102   2HB   PRO  12          1HB       PRO  12   0.486   5.180  -0.670
  103   1HG   PRO  12          2HG       PRO  12   2.392   4.732   1.562
  104   2HG   PRO  12          1HG       PRO  12   2.508   5.838   0.186
  105   1HD   PRO  12          2HD       PRO  12   1.813   6.620   2.695
  106   2HD   PRO  12          1HD       PRO  12   1.279   7.461   1.224
  107    H    SER  13           H        SER  13  -0.901   2.478   0.607
  108    HA   SER  13           HA       SER  13  -0.487   1.391   3.355
  109   1HB   SER  13          2HB       SER  13  -2.905   1.875   2.952
  110   2HB   SER  13          1HB       SER  13  -2.853   0.840   1.529
  111    HG   SER  13           HG       SER  13  -3.571  -0.373   3.259
  112    H    ALA  14           H        ALA  14  -0.339  -1.085   3.202
  113    HA   ALA  14           HA       ALA  14   1.640  -1.938   1.380
  114   1HB   ALA  14          1HB       ALA  14   0.650  -2.934   3.591
  115   2HB   ALA  14          2HB       ALA  14   1.295  -4.039   2.376
  116   3HB   ALA  14          3HB       ALA  14  -0.446  -3.793   2.509
  117    H    PHE  15           H        PHE  15  -1.909  -2.299   1.146
  118    HA   PHE  15           HA       PHE  15  -1.864  -3.799  -1.331
  119   1HB   PHE  15          2HB       PHE  15  -3.715  -3.832   0.295
  120   2HB   PHE  15          1HB       PHE  15  -4.002  -2.116   0.021
  121    HD1  PHE  15           1HD      PHE  15  -3.355  -5.020  -2.277
  122    HD2  PHE  15           2HD      PHE  15  -5.974  -1.797  -1.179
  123    HE1  PHE  15           1HE      PHE  15  -4.831  -5.566  -4.194
  124    HE2  PHE  15           2HE      PHE  15  -7.449  -2.342  -3.097
  125    HZ   PHE  15           HZ       PHE  15  -6.876  -4.226  -4.605
  126    H    PHE  16           H        PHE  16  -1.688  -0.377  -0.574
  127    HA   PHE  16           HA       PHE  16  -2.600   0.596  -3.148
  128   1HB   PHE  16          2HB       PHE  16  -2.317   1.720  -0.775
  129   2HB   PHE  16          1HB       PHE  16  -0.692   2.077  -1.360
  130    HD1  PHE  16           1HD      PHE  16  -4.312   2.517  -2.094
  131    HD2  PHE  16           2HD      PHE  16  -0.303   3.765  -3.001
  132    HE1  PHE  16           1HE      PHE  16  -5.202   4.416  -3.418
  133    HE2  PHE  16           2HE      PHE  16  -1.194   5.663  -4.326
  134    HZ   PHE  16           HZ       PHE  16  -3.643   5.989  -4.534
  135    H    LEU  17           H        LEU  17   0.545  -0.403  -1.871
  136    HA   LEU  17           HA       LEU  17   2.118   0.686  -4.064
  137   1HB   LEU  17          2HB       LEU  17   2.509  -1.479  -1.980
  138   2HB   LEU  17          1HB       LEU  17   3.731  -1.174  -3.205
  139    HG   LEU  17           HG       LEU  17   4.392   0.073  -1.275
  140   1HD1  LEU  17          1HD1      LEU  17   2.974   2.199  -2.871
  141   2HD1  LEU  17          2HD1      LEU  17   4.334   1.307  -3.553
  142   3HD1  LEU  17          3HD1      LEU  17   4.555   2.272  -2.092
  143   1HD2  LEU  17          1HD2      LEU  17   2.191  -0.013  -0.139
  144   2HD2  LEU  17          2HD2      LEU  17   1.607   1.261  -1.210
  145   3HD2  LEU  17          3HD2      LEU  17   2.915   1.591  -0.080
  146    H    PHE  18           H        PHE  18   1.530  -2.714  -3.288
  147    HA   PHE  18           HA       PHE  18   2.010  -4.085  -5.590
  148   1HB   PHE  18          2HB       PHE  18   1.127  -5.155  -3.607
  149   2HB   PHE  18          1HB       PHE  18  -0.402  -4.289  -3.757
  150    HD1  PHE  18           1HD      PHE  18  -2.135  -5.063  -5.225
  151    HD2  PHE  18           2HD      PHE  18   1.733  -6.932  -5.264
  152    HE1  PHE  18           1HE      PHE  18  -3.043  -6.910  -6.608
  153    HE2  PHE  18           2HE      PHE  18   0.826  -8.778  -6.650
  154    HZ   PHE  18           HZ       PHE  18  -1.565  -8.771  -7.320
  155    H    CYS  19           H        CYS  19  -1.195  -2.470  -5.077
  156    HA   CYS  19           HA       CYS  19  -2.125  -2.962  -7.745
  157   1HB   CYS  19          2HB       CYS  19  -3.537  -2.436  -5.769
  158   2HB   CYS  19          1HB       CYS  19  -2.860  -0.812  -5.736
  159    HG   CYS  19           HG       CYS  19  -4.602  -0.188  -7.373
  160    H    SER  20           H        SER  20  -0.471  -0.180  -6.268
  161    HA   SER  20           HA       SER  20  -0.635   1.659  -8.416
  162   1HB   SER  20          2HB       SER  20   0.198   2.186  -6.169
  163   2HB   SER  20          1HB       SER  20   1.595   1.146  -6.421
  164    HG   SER  20           HG       SER  20   0.968   3.639  -7.539
  165    H    GLU  21           H        GLU  21   1.469  -1.163  -8.022
  166    HA   GLU  21           HA       GLU  21   3.049  -0.400 -10.410
  167   1HB   GLU  21          2HB       GLU  21   4.409  -2.358  -9.752
  168   2HB   GLU  21          1HB       GLU  21   4.167  -1.260  -8.397
  169   1HG   GLU  21          2HG       GLU  21   2.578  -2.682  -7.375
  170   2HG   GLU  21          1HG       GLU  21   2.326  -3.605  -8.857
  171    H    HIS  22           H        HIS  22   0.410  -2.559  -9.536
  172    HA   HIS  22           HA       HIS  22   0.673  -4.005 -12.135
  173   1HB   HIS  22          2HB       HIS  22  -0.860  -4.424  -9.561
  174   2HB   HIS  22          1HB       HIS  22  -1.167  -5.393 -11.001
  175    HD1  HIS  22           1HD      HIS  22   1.247  -6.421 -12.054
  176    HD2  HIS  22           2HD      HIS  22   1.058  -5.565  -7.981
  177    HE1  HIS  22           1HE      HIS  22   3.107  -7.747 -10.957
  178    H    ARG  23           H        ARG  23  -0.479  -1.132 -11.532
  179    HA   ARG  23           HA       ARG  23  -3.304  -1.431 -12.259
  180   1HB   ARG  23          2HB       ARG  23  -2.465   0.275 -10.678
  181   2HB   ARG  23          1HB       ARG  23  -1.528   1.010 -11.975
  182   1HG   ARG  23          2HG       ARG  23  -3.596   1.438 -13.243
  183   2HG   ARG  23          1HG       ARG  23  -4.541   0.688 -11.956
  184   1HD   ARG  23          2HD       ARG  23  -2.711   3.051 -11.448
  185   2HD   ARG  23          1HD       ARG  23  -4.428   3.237 -11.857
  186    HE   ARG  23           HE       ARG  23  -3.400   1.835  -9.428
  187   1HH1  ARG  23          1HH2      ARG  23  -5.134   4.428  -9.694
  188   2HH1  ARG  23          2HH2      ARG  23  -6.663   3.812  -9.159
  189   1HH2  ARG  23          1HH1      ARG  23  -5.719   0.487  -9.439
  190   2HH2  ARG  23          2HH1      ARG  23  -6.993   1.580  -9.014
  191    HA   PRO  24           HA       PRO  24  -1.753   0.465 -16.347
  192   1HB   PRO  24          2HB       PRO  24   0.908   0.358 -16.956
  193   2HB   PRO  24          1HB       PRO  24   0.164   1.727 -16.108
  194   1HG   PRO  24          2HG       PRO  24   1.808  -0.493 -15.039
  195   2HG   PRO  24          1HG       PRO  24   1.714   1.197 -14.524
  196   1HD   PRO  24          2HD       PRO  24   0.503  -0.922 -13.244
  197   2HD   PRO  24          1HD       PRO  24   0.024   0.778 -13.078
  198    H    LYS  25           H        LYS  25  -0.794  -2.511 -14.986
  199    HA   LYS  25           HA       LYS  25  -0.095  -3.820 -17.538
  200   1HB   LYS  25          2HB       LYS  25   0.932  -4.267 -15.246
  201   2HB   LYS  25          1HB       LYS  25  -0.601  -5.018 -14.800
  202   1HG   LYS  25          2HG       LYS  25  -0.341  -6.769 -16.338
  203   2HG   LYS  25          1HG       LYS  25   0.820  -5.867 -17.313
  204   1HD   LYS  25          2HD       LYS  25   2.286  -7.259 -16.204
  205   2HD   LYS  25          1HD       LYS  25   2.217  -5.941 -15.035
  206   1HE   LYS  25          2HE       LYS  25   0.471  -7.135 -13.763
  207   2HE   LYS  25          1HE       LYS  25   0.514  -8.460 -14.944
  208   1HZ   LYS  25          1HZ       LYS  25   2.795  -7.493 -13.301
  209   2HZ   LYS  25          2HZ       LYS  25   2.904  -8.684 -14.508
  210   3HZ   LYS  25          3HZ       LYS  25   1.982  -8.968 -13.110
  211    H    ILE  26           H        ILE  26  -2.772  -3.758 -15.193
  212    HA   ILE  26           HA       ILE  26  -4.358  -5.794 -16.509
  213    HB   ILE  26           HB       ILE  26  -5.064  -3.549 -14.590
  214   1HG1  ILE  26          2HG1      ILE  26  -3.333  -5.106 -13.752
  215   2HG1  ILE  26          1HG1      ILE  26  -4.841  -5.299 -12.863
  216   1HG2  ILE  26          1HG2      ILE  26  -6.900  -5.370 -14.024
  217   2HG2  ILE  26          2HG2      ILE  26  -6.615  -5.871 -15.691
  218   3HG2  ILE  26          3HG2      ILE  26  -7.158  -4.229 -15.344
  219   1HD1  ILE  26          1HD1      ILE  26  -3.778  -7.081 -15.073
  220   2HD1  ILE  26          2HD1      ILE  26  -5.409  -7.213 -14.415
  221   3HD1  ILE  26          3HD1      ILE  26  -4.013  -7.509 -13.378
  222    H    LYS  27           H        LYS  27  -3.787  -2.430 -17.163
  223    HA   LYS  27           HA       LYS  27  -6.285  -1.978 -18.651
  224   1HB   LYS  27          2HB       LYS  27  -3.711  -0.506 -18.102
  225   2HB   LYS  27          1HB       LYS  27  -4.853   0.107 -19.297
  226   1HG   LYS  27          2HG       LYS  27  -6.635  -0.191 -17.432
  227   2HG   LYS  27          1HG       LYS  27  -5.256  -0.265 -16.335
  228   1HD   LYS  27          2HD       LYS  27  -4.561   1.928 -16.868
  229   2HD   LYS  27          1HD       LYS  27  -5.532   1.971 -18.341
  230   1HE   LYS  27          2HE       LYS  27  -7.600   1.846 -16.897
  231   2HE   LYS  27          1HE       LYS  27  -6.549   2.038 -15.480
  232   1HZ   LYS  27          1HZ       LYS  27  -6.654   3.880 -17.811
  233   2HZ   LYS  27          2HZ       LYS  27  -5.651   4.056 -16.451
  234   3HZ   LYS  27          3HZ       LYS  27  -7.337   4.189 -16.289
  235    H    SER  28           H        SER  28  -3.203  -3.424 -19.314
  236    HA   SER  28           HA       SER  28  -3.083  -2.809 -22.161
  237   1HB   SER  28          2HB       SER  28  -1.779  -4.894 -20.384
  238   2HB   SER  28          1HB       SER  28  -1.334  -4.624 -22.066
  239    HG   SER  28           HG       SER  28   0.012  -3.406 -20.758
  240    H    GLU  29           H        GLU  29  -3.974  -5.713 -20.270
  241    HA   GLU  29           HA       GLU  29  -5.032  -7.074 -22.664
  242   1HB   GLU  29          2HB       GLU  29  -4.752  -7.699 -19.719
  243   2HB   GLU  29          1HB       GLU  29  -5.584  -8.794 -20.825
  244   1HG   GLU  29          2HG       GLU  29  -3.449  -8.595 -22.288
  245   2HG   GLU  29          1HG       GLU  29  -2.685  -7.969 -20.827
  246    H    HIS  30           H        HIS  30  -6.266  -4.596 -20.939
  247    HA   HIS  30           HA       HIS  30  -9.059  -5.372 -21.504
  248   1HB   HIS  30          2HB       HIS  30  -8.080  -4.545 -18.748
  249   2HB   HIS  30          1HB       HIS  30  -9.758  -4.819 -19.191
  250    HD1  HIS  30           1HD      HIS  30 -10.550  -7.258 -19.458
  251    HD2  HIS  30           2HD      HIS  30  -6.501  -6.922 -18.544
  252    HE1  HIS  30           1HE      HIS  30  -9.763  -9.585 -18.839
  253    HA   PRO  31           HA       PRO  31  -7.887  -0.969 -22.359
  254   1HB   PRO  31          2HB       PRO  31  -9.324  -0.798 -24.699
  255   2HB   PRO  31          1HB       PRO  31  -7.649  -1.384 -24.628
  256   1HG   PRO  31          2HG       PRO  31 -10.193  -2.947 -24.730
  257   2HG   PRO  31          1HG       PRO  31  -8.675  -3.211 -25.608
  258   1HD   PRO  31          2HD       PRO  31  -9.314  -4.660 -23.428
  259   2HD   PRO  31          1HD       PRO  31  -7.636  -4.193 -23.787
  260    H    GLY  32           H        GLY  32  -9.124   0.171 -20.910
  261   1HA   GLY  32          2HA       GLY  32 -11.173   1.578 -20.737
  262   2HA   GLY  32          1HA       GLY  32 -12.087   0.187 -21.320
  263    H    LEU  33           H        LEU  33 -10.211  -1.529 -19.538
  264    HA   LEU  33           HA       LEU  33 -11.854  -2.163 -17.418
  265   1HB   LEU  33          2HB       LEU  33  -9.503  -3.000 -18.312
  266   2HB   LEU  33          1HB       LEU  33  -8.888  -2.030 -16.981
  267    HG   LEU  33           HG       LEU  33  -9.224  -4.369 -16.291
  268   1HD1  LEU  33          1HD1      LEU  33 -11.329  -2.593 -15.039
  269   2HD1  LEU  33          2HD1      LEU  33  -9.603  -2.458 -14.700
  270   3HD1  LEU  33          3HD1      LEU  33 -10.471  -3.935 -14.284
  271   1HD2  LEU  33          1HD2      LEU  33 -11.305  -4.475 -17.963
  272   2HD2  LEU  33          2HD2      LEU  33 -12.192  -4.071 -16.494
  273   3HD2  LEU  33          3HD2      LEU  33 -11.205  -5.531 -16.554
  274    H    SER  34           H        SER  34 -12.698  -0.952 -15.825
  275    HA   SER  34           HA       SER  34 -11.488   1.589 -14.965
  276   1HB   SER  34          2HB       SER  34 -13.585   1.581 -13.538
  277   2HB   SER  34          1HB       SER  34 -13.872   1.418 -15.263
  278    HG   SER  34           HG       SER  34 -13.631  -0.768 -13.474
  279    H    ILE  35           H        ILE  35 -11.711   1.906 -12.413
  280    HA   ILE  35           HA       ILE  35  -9.800   0.077 -11.167
  281    HB   ILE  35           HB       ILE  35 -11.453   2.392 -10.084
  282   1HG1  ILE  35          2HG1      ILE  35  -8.558   2.371 -10.983
  283   2HG1  ILE  35          1HG1      ILE  35  -9.886   2.876 -12.028
  284   1HG2  ILE  35          1HG2      ILE  35 -10.629   1.055  -8.249
  285   2HG2  ILE  35          2HG2      ILE  35  -9.589   2.474  -8.377
  286   3HG2  ILE  35          3HG2      ILE  35  -9.037   0.918  -8.998
  287   1HD1  ILE  35          1HD1      ILE  35 -10.535   4.581 -10.337
  288   2HD1  ILE  35          2HD1      ILE  35  -8.901   4.838 -10.947
  289   3HD1  ILE  35          3HD1      ILE  35  -9.144   4.110  -9.359
  290    H    GLY  36           H        GLY  36 -13.146  -0.109 -11.662
  291   1HA   GLY  36          2HA       GLY  36 -13.707  -1.484  -9.097
  292   2HA   GLY  36          1HA       GLY  36 -14.904  -1.061 -10.323
  293    H    ASP  37           H        ASP  37 -11.856  -2.581 -11.089
  294    HA   ASP  37           HA       ASP  37 -13.029  -5.274 -11.330
  295   1HB   ASP  37          2HB       ASP  37 -12.419  -3.395 -13.579
  296   2HB   ASP  37          1HB       ASP  37 -12.121  -5.113 -13.830
  297    H    THR  38           H        THR  38 -10.240  -3.282 -12.447
  298    HA   THR  38           HA       THR  38  -8.331  -5.428 -12.218
  299    HB   THR  38           HB       THR  38  -8.122  -3.381 -13.643
  300    HG1  THR  38           1HG      THR  38  -6.060  -3.591 -11.715
  301   1HG2  THR  38          1HG2      THR  38  -7.782  -1.245 -12.790
  302   2HG2  THR  38          2HG2      THR  38  -7.274  -1.845 -11.212
  303   3HG2  THR  38          3HG2      THR  38  -8.977  -1.894 -11.667
  304    H    ALA  39           H        ALA  39  -9.486  -2.934 -10.015
  305    HA   ALA  39           HA       ALA  39  -7.497  -3.359  -7.939
  306   1HB   ALA  39          1HB       ALA  39 -10.323  -2.254  -7.787
  307   2HB   ALA  39          2HB       ALA  39  -8.916  -1.311  -8.278
  308   3HB   ALA  39          3HB       ALA  39  -9.020  -1.952  -6.638
  309    H    LYS  40           H        LYS  40 -10.566  -4.798  -8.817
  310    HA   LYS  40           HA       LYS  40 -10.977  -6.269  -6.330
  311   1HB   LYS  40          2HB       LYS  40 -12.088  -6.323  -9.143
  312   2HB   LYS  40          1HB       LYS  40 -12.578  -7.529  -7.953
  313   1HG   LYS  40          2HG       LYS  40 -13.428  -5.830  -6.469
  314   2HG   LYS  40          1HG       LYS  40 -12.743  -4.545  -7.464
  315   1HD   LYS  40          2HD       LYS  40 -15.000  -4.576  -8.124
  316   2HD   LYS  40          1HD       LYS  40 -14.210  -5.547  -9.367
  317   1HE   LYS  40          2HE       LYS  40 -14.815  -7.614  -8.112
  318   2HE   LYS  40          1HE       LYS  40 -15.679  -6.613  -6.927
  319   1HZ   LYS  40          1HZ       LYS  40 -16.190  -6.622  -9.856
  320   2HZ   LYS  40          2HZ       LYS  40 -17.027  -5.704  -8.697
  321   3HZ   LYS  40          3HZ       LYS  40 -17.158  -7.399  -8.702
  322    H    LYS  41           H        LYS  41  -9.667  -6.965  -9.555
  323    HA   LYS  41           HA       LYS  41  -9.046  -9.753  -9.072
  324   1HB   LYS  41          2HB       LYS  41  -9.244  -8.377 -11.265
  325   2HB   LYS  41          1HB       LYS  41  -7.580  -7.886 -10.945
  326   1HG   LYS  41          2HG       LYS  41  -6.962 -10.315 -10.784
  327   2HG   LYS  41          1HG       LYS  41  -8.600 -10.717 -11.297
  328   1HD   LYS  41          2HD       LYS  41  -6.882  -8.841 -12.916
  329   2HD   LYS  41          1HD       LYS  41  -6.766 -10.590 -13.123
  330   1HE   LYS  41          2HE       LYS  41  -9.287 -10.614 -13.472
  331   2HE   LYS  41          1HE       LYS  41  -9.207  -8.842 -13.554
  332   1HZ   LYS  41          1HZ       LYS  41  -7.532  -9.025 -15.282
  333   2HZ   LYS  41          2HZ       LYS  41  -8.950  -9.833 -15.755
  334   3HZ   LYS  41          3HZ       LYS  41  -7.605 -10.718 -15.213
  335    H    LEU  42           H        LEU  42  -6.978  -6.829  -9.106
  336    HA   LEU  42           HA       LEU  42  -4.510  -7.910  -8.325
  337   1HB   LEU  42          2HB       LEU  42  -5.962  -5.342  -8.133
  338   2HB   LEU  42          1HB       LEU  42  -4.611  -5.508  -7.016
  339    HG   LEU  42           HG       LEU  42  -3.128  -6.102  -8.905
  340   1HD1  LEU  42          1HD1      LEU  42  -3.851  -6.139 -11.146
  341   2HD1  LEU  42          2HD1      LEU  42  -5.344  -5.280 -10.774
  342   3HD1  LEU  42          3HD1      LEU  42  -5.155  -6.966 -10.297
  343   1HD2  LEU  42          1HD2      LEU  42  -3.923  -3.656  -8.153
  344   2HD2  LEU  42          2HD2      LEU  42  -4.475  -3.611  -9.826
  345   3HD2  LEU  42          3HD2      LEU  42  -2.774  -3.903  -9.466
  346    H    GLY  43           H        GLY  43  -7.132  -6.767  -6.162
  347   1HA   GLY  43          2HA       GLY  43  -5.858  -7.260  -3.683
  348   2HA   GLY  43          1HA       GLY  43  -7.609  -7.307  -3.920
  349    H    GLU  44           H        GLU  44  -7.300  -9.480  -5.972
  350    HA   GLU  44           HA       GLU  44  -7.472 -11.762  -4.170
  351   1HB   GLU  44          2HB       GLU  44  -8.706 -11.332  -6.380
  352   2HB   GLU  44          1HB       GLU  44  -7.194 -11.743  -7.191
  353   1HG   GLU  44          2HG       GLU  44  -8.389 -13.787  -7.114
  354   2HG   GLU  44          1HG       GLU  44  -7.238 -13.903  -5.782
  355    H    MET  45           H        MET  45  -5.087 -10.476  -6.472
  356    HA   MET  45           HA       MET  45  -3.205 -12.687  -6.095
  357   1HB   MET  45          2HB       MET  45  -3.296 -10.027  -7.504
  358   2HB   MET  45          1HB       MET  45  -1.757 -10.872  -7.343
  359   1HG   MET  45          2HG       MET  45  -2.543 -12.760  -8.556
  360   2HG   MET  45          1HG       MET  45  -4.224 -12.245  -8.416
  361   1HE   MET  45          1HE       MET  45  -1.157 -12.171 -10.962
  362   2HE   MET  45          2HE       MET  45  -0.800 -11.427  -9.407
  363   3HE   MET  45          3HE       MET  45  -0.854 -10.432 -10.859
  364    H    TRP  46           H        TRP  46  -3.629  -9.372  -4.872
  365    HA   TRP  46           HA       TRP  46  -1.150  -9.049  -3.492
  366   1HB   TRP  46          2HB       TRP  46  -2.716  -7.233  -3.844
  367   2HB   TRP  46          1HB       TRP  46  -3.978  -8.062  -2.944
  368    HD1  TRP  46           HD       TRP  46  -4.233  -7.082  -0.598
  369    HE1  TRP  46           1HE      TRP  46  -2.639  -6.074   1.163
  370    HE3  TRP  46           3HE      TRP  46   0.168  -7.412  -3.130
  371    HZ2  TRP  46           2HZ      TRP  46   0.154  -5.491   1.448
  372    HZ3  TRP  46           3HZ      TRP  46   2.284  -6.626  -2.103
  373    HH2  TRP  46           HH       TRP  46   2.280  -5.672   0.177
  374    H    SER  47           H        SER  47  -4.300 -10.207  -2.201
  375    HA   SER  47           HA       SER  47  -3.299 -11.041   0.350
  376   1HB   SER  47          2HB       SER  47  -5.701 -10.627  -0.515
  377   2HB   SER  47          1HB       SER  47  -5.622 -12.269  -1.148
  378    HG   SER  47           HG       SER  47  -5.338 -13.032   0.912
  379    H    GLU  48           H        GLU  48  -2.796 -12.414  -2.772
  380    HA   GLU  48           HA       GLU  48  -2.328 -15.137  -1.684
  381   1HB   GLU  48          2HB       GLU  48  -2.860 -13.848  -4.332
  382   2HB   GLU  48          1HB       GLU  48  -1.953 -15.359  -4.318
  383   1HG   GLU  48          2HG       GLU  48  -4.537 -15.081  -2.789
  384   2HG   GLU  48          1HG       GLU  48  -4.528 -15.519  -4.498
  385    H    GLN  49           H        GLN  49  -0.609 -12.241  -2.359
  386    HA   GLN  49           HA       GLN  49   1.857 -13.480  -3.298
  387   1HB   GLN  49          2HB       GLN  49   0.713 -10.853  -2.860
  388   2HB   GLN  49          1HB       GLN  49   2.307 -10.919  -2.122
  389   1HG   GLN  49          2HG       GLN  49   2.418 -10.183  -4.483
  390   2HG   GLN  49          1HG       GLN  49   3.281 -11.699  -4.235
  391   1HE2  GLN  49          1HE2      GLN  49   0.245 -10.326  -5.530
  392   2HE2  GLN  49          2HE2      GLN  49  -0.129 -11.660  -6.511
  393    H    SER  50           H        SER  50   3.676 -13.935  -2.020
  394    HA   SER  50           HA       SER  50   3.144 -14.260   0.885
  395   1HB   SER  50          2HB       SER  50   5.068 -15.818   0.725
  396   2HB   SER  50          1HB       SER  50   3.850 -16.193  -0.492
  397    HG   SER  50           HG       SER  50   5.151 -15.479  -2.033
  398    H    ALA  51           H        ALA  51   6.497 -14.037  -0.045
  399    HA   ALA  51           HA       ALA  51   6.653 -11.390   1.332
  400   1HB   ALA  51          1HB       ALA  51   9.111 -12.178   1.520
  401   2HB   ALA  51          2HB       ALA  51   8.523 -13.736   0.937
  402   3HB   ALA  51          3HB       ALA  51   7.911 -13.073   2.453
  403    H    LYS  52           H        LYS  52   7.333 -13.070  -1.674
  404    HA   LYS  52           HA       LYS  52   9.270 -11.418  -2.883
  405   1HB   LYS  52          2HB       LYS  52   7.957 -13.594  -3.610
  406   2HB   LYS  52          1HB       LYS  52   6.901 -12.437  -4.420
  407   1HG   LYS  52          2HG       LYS  52   9.004 -11.429  -5.451
  408   2HG   LYS  52          1HG       LYS  52   9.869 -12.841  -4.846
  409   1HD   LYS  52          2HD       LYS  52   8.417 -14.330  -6.122
  410   2HD   LYS  52          1HD       LYS  52   7.444 -12.961  -6.660
  411   1HE   LYS  52          2HE       LYS  52   9.300 -12.046  -7.924
  412   2HE   LYS  52          1HE       LYS  52  10.409 -13.258  -7.252
  413   1HZ   LYS  52          1HZ       LYS  52   9.590 -13.964  -9.415
  414   2HZ   LYS  52          2HZ       LYS  52   7.985 -13.832  -8.875
  415   3HZ   LYS  52          3HZ       LYS  52   9.019 -14.999  -8.201
  416    H    ASP  53           H        ASP  53   5.699 -11.039  -3.071
  417    HA   ASP  53           HA       ASP  53   6.161  -8.151  -3.749
  418   1HB   ASP  53          2HB       ASP  53   4.520 -10.305  -4.953
  419   2HB   ASP  53          1HB       ASP  53   3.732  -8.734  -4.806
  420    H    LYS  54           H        LYS  54   6.013  -8.441  -1.195
  421    HA   LYS  54           HA       LYS  54   3.504  -7.256  -0.360
  422   1HB   LYS  54          2HB       LYS  54   3.486  -9.969  -0.613
  423   2HB   LYS  54          1HB       LYS  54   3.973  -9.793   1.065
  424   1HG   LYS  54          2HG       LYS  54   2.003  -8.131   1.264
  425   2HG   LYS  54          1HG       LYS  54   1.465  -8.781  -0.277
  426   1HD   LYS  54          2HD       LYS  54   0.327 -10.182   1.159
  427   2HD   LYS  54          1HD       LYS  54   1.822 -11.094   0.959
  428   1HE   LYS  54          2HE       LYS  54   1.577 -11.050   3.305
  429   2HE   LYS  54          1HE       LYS  54   2.643  -9.659   3.019
  430   1HZ   LYS  54          1HZ       LYS  54  -0.325  -9.548   3.148
  431   2HZ   LYS  54          2HZ       LYS  54   0.713  -8.227   2.894
  432   3HZ   LYS  54          3HZ       LYS  54   0.723  -9.046   4.383
  433    H    GLN  55           H        GLN  55   6.539  -8.835   0.594
  434    HA   GLN  55           HA       GLN  55   6.604  -7.811   3.298
  435   1HB   GLN  55          2HB       GLN  55   8.385  -9.197   1.370
  436   2HB   GLN  55          1HB       GLN  55   9.199  -8.301   2.652
  437   1HG   GLN  55          2HG       GLN  55   6.989 -10.325   3.120
  438   2HG   GLN  55          1HG       GLN  55   8.711 -10.677   3.275
  439   1HE2  GLN  55          1HE2      GLN  55   5.968  -9.200   4.853
  440   2HE2  GLN  55          2HE2      GLN  55   6.788  -8.698   6.251
  441    HA   PRO  56           HA       PRO  56   9.496  -4.423   1.580
  442   1HB   PRO  56          2HB       PRO  56   9.777  -4.148  -1.126
  443   2HB   PRO  56          1HB       PRO  56  10.826  -5.190  -0.145
  444   1HG   PRO  56          2HG       PRO  56   8.513  -5.918  -1.867
  445   2HG   PRO  56          1HG       PRO  56  10.047  -6.765  -1.619
  446   1HD   PRO  56          2HD       PRO  56   7.707  -7.504  -0.439
  447   2HD   PRO  56          1HD       PRO  56   9.306  -7.826   0.263
  448    H    TYR  57           H        TYR  57   6.380  -5.159   0.385
  449    HA   TYR  57           HA       TYR  57   5.805  -2.507  -0.746
  450   1HB   TYR  57          2HB       TYR  57   4.269  -5.043  -0.169
  451   2HB   TYR  57          1HB       TYR  57   3.462  -3.590  -0.767
  452    HD1  TYR  57           1HD      TYR  57   3.432  -3.137  -3.068
  453    HD2  TYR  57           2HD      TYR  57   6.363  -5.849  -1.497
  454    HE1  TYR  57           1HE      TYR  57   4.174  -3.664  -5.372
  455    HE2  TYR  57           2HE      TYR  57   7.108  -6.379  -3.801
  456    HH   TYR  57           HH       TYR  57   6.659  -4.629  -6.324
  457    H    GLU  58           H        GLU  58   4.910  -4.350   2.191
  458    HA   GLU  58           HA       GLU  58   3.273  -2.258   3.328
  459   1HB   GLU  58          2HB       GLU  58   3.551  -3.649   5.402
  460   2HB   GLU  58          1HB       GLU  58   3.059  -4.587   3.996
  461   1HG   GLU  58          2HG       GLU  58   4.933  -5.843   4.069
  462   2HG   GLU  58          1HG       GLU  58   5.960  -4.414   4.174
  463    H    GLN  59           H        GLN  59   6.731  -2.838   3.238
  464    HA   GLN  59           HA       GLN  59   7.325  -0.980   5.444
  465   1HB   GLN  59          2HB       GLN  59   9.030  -2.387   3.363
  466   2HB   GLN  59          1HB       GLN  59   9.660  -1.514   4.758
  467   1HG   GLN  59          2HG       GLN  59   8.395  -3.042   6.259
  468   2HG   GLN  59          1HG       GLN  59   7.848  -3.945   4.846
  469   1HE2  GLN  59          1HE2      GLN  59   9.166  -5.675   4.255
  470   2HE2  GLN  59          2HE2      GLN  59  10.797  -5.849   4.693
  471    H    LYS  60           H        LYS  60   6.577  -0.712   2.106
  472    HA   LYS  60           HA       LYS  60   8.180   1.727   1.640
  473   1HB   LYS  60          2HB       LYS  60   7.326  -0.311   0.059
  474   2HB   LYS  60          1HB       LYS  60   6.016   0.842  -0.205
  475   1HG   LYS  60          2HG       LYS  60   7.724   2.588  -0.743
  476   2HG   LYS  60          1HG       LYS  60   8.977   1.354  -0.607
  477   1HD   LYS  60          2HD       LYS  60   7.377   0.063  -2.308
  478   2HD   LYS  60          1HD       LYS  60   6.889   1.709  -2.713
  479   1HE   LYS  60          2HE       LYS  60   9.788   0.804  -2.626
  480   2HE   LYS  60          1HE       LYS  60   8.817   0.869  -4.111
  481   1HZ   LYS  60          1HZ       LYS  60   9.323   3.130  -2.246
  482   2HZ   LYS  60          2HZ       LYS  60   8.310   3.197  -3.609
  483   3HZ   LYS  60          3HZ       LYS  60   9.981   2.955  -3.800
  484    H    ALA  61           H        ALA  61   4.856   0.711   2.262
  485    HA   ALA  61           HA       ALA  61   3.777   3.441   2.031
  486   1HB   ALA  61          1HB       ALA  61   2.152   1.353   3.320
  487   2HB   ALA  61          2HB       ALA  61   2.814   0.850   1.765
  488   3HB   ALA  61          3HB       ALA  61   1.810   2.296   1.870
  489    H    ALA  62           H        ALA  62   4.795   1.165   4.508
  490    HA   ALA  62           HA       ALA  62   3.679   2.351   6.837
  491   1HB   ALA  62          1HB       ALA  62   5.774   1.283   7.892
  492   2HB   ALA  62          2HB       ALA  62   6.228   0.828   6.250
  493   3HB   ALA  62          3HB       ALA  62   4.733   0.211   6.956
  494    H    LYS  63           H        LYS  63   7.007   2.861   5.522
  495    HA   LYS  63           HA       LYS  63   7.628   5.062   7.255
  496   1HB   LYS  63          2HB       LYS  63   9.155   3.543   5.875
  497   2HB   LYS  63          1HB       LYS  63   8.717   4.530   4.480
  498   1HG   LYS  63          2HG       LYS  63   9.488   6.555   5.743
  499   2HG   LYS  63          1HG       LYS  63  10.059   5.486   7.024
  500   1HD   LYS  63          2HD       LYS  63  11.424   4.283   5.239
  501   2HD   LYS  63          1HD       LYS  63  11.029   5.624   4.162
  502   1HE   LYS  63          2HE       LYS  63  13.045   6.383   5.072
  503   2HE   LYS  63          1HE       LYS  63  11.893   7.077   6.231
  504   1HZ   LYS  63          1HZ       LYS  63  13.126   4.387   6.500
  505   2HZ   LYS  63          2HZ       LYS  63  12.128   5.168   7.633
  506   3HZ   LYS  63          3HZ       LYS  63  13.682   5.771   7.307
  507    H    LEU  64           H        LEU  64   5.572   4.881   4.480
  508    HA   LEU  64           HA       LEU  64   5.865   7.715   3.724
  509   1HB   LEU  64          2HB       LEU  64   4.294   5.302   2.855
  510   2HB   LEU  64          1HB       LEU  64   3.755   6.900   2.339
  511    HG   LEU  64           HG       LEU  64   6.590   5.901   1.971
  512   1HD1  LEU  64          1HD1      LEU  64   6.051   5.259  -0.235
  513   2HD1  LEU  64          2HD1      LEU  64   4.514   6.122  -0.206
  514   3HD1  LEU  64          3HD1      LEU  64   4.707   4.631   0.718
  515   1HD2  LEU  64          1HD2      LEU  64   6.498   7.785   0.224
  516   2HD2  LEU  64          2HD2      LEU  64   6.524   8.284   1.915
  517   3HD2  LEU  64          3HD2      LEU  64   5.006   8.296   1.016
  518    H    LYS  65           H        LYS  65   3.653   5.617   5.514
  519    HA   LYS  65           HA       LYS  65   1.574   7.583   5.953
  520   1HB   LYS  65          2HB       LYS  65   1.307   5.119   6.135
  521   2HB   LYS  65          1HB       LYS  65   2.397   5.111   7.522
  522   1HG   LYS  65          2HG       LYS  65   0.837   6.053   8.928
  523   2HG   LYS  65          1HG       LYS  65   0.070   6.971   7.633
  524   1HD   LYS  65          2HD       LYS  65  -1.522   5.307   8.154
  525   2HD   LYS  65          1HD       LYS  65  -0.698   4.670   6.730
  526   1HE   LYS  65          2HE       LYS  65  -0.579   2.802   8.115
  527   2HE   LYS  65          1HE       LYS  65   0.912   3.626   8.614
  528   1HZ   LYS  65          1HZ       LYS  65  -0.469   3.101  10.535
  529   2HZ   LYS  65          2HZ       LYS  65  -1.761   3.979   9.867
  530   3HZ   LYS  65          3HZ       LYS  65  -0.336   4.779  10.332
  531    H    GLU  66           H        GLU  66   4.213   6.344   8.023
  532    HA   GLU  66           HA       GLU  66   3.855   8.023  10.274
  533   1HB   GLU  66          2HB       GLU  66   5.459   6.021   9.745
  534   2HB   GLU  66          1HB       GLU  66   6.569   7.276   9.195
  535   1HG   GLU  66          2HG       GLU  66   7.159   7.082  11.446
  536   2HG   GLU  66          1HG       GLU  66   5.996   8.407  11.495
  537    H    LYS  67           H        LYS  67   5.435   8.678   7.177
  538    HA   LYS  67           HA       LYS  67   6.688  11.174   7.908
  539   1HB   LYS  67          2HB       LYS  67   7.077   9.613   5.896
  540   2HB   LYS  67          1HB       LYS  67   5.657  10.374   5.177
  541   1HG   LYS  67          2HG       LYS  67   7.450  11.664   4.350
  542   2HG   LYS  67          1HG       LYS  67   6.847  12.615   5.708
  543   1HD   LYS  67          2HD       LYS  67   9.163  12.590   6.090
  544   2HD   LYS  67          1HD       LYS  67   8.589  11.271   7.112
  545   1HE   LYS  67          2HE       LYS  67  10.383  10.262   5.965
  546   2HE   LYS  67          1HE       LYS  67   9.000   9.806   4.949
  547   1HZ   LYS  67          1HZ       LYS  67   9.374  11.782   3.609
  548   2HZ   LYS  67          2HZ       LYS  67  10.764  10.805   3.618
  549   3HZ   LYS  67          3HZ       LYS  67  10.705  12.212   4.569
  550    H    TYR  68           H        TYR  68   3.425  10.277   6.993
  551    HA   TYR  68           HA       TYR  68   2.457  12.895   6.221
  552   1HB   TYR  68          2HB       TYR  68   1.473  10.572   5.801
  553   2HB   TYR  68          1HB       TYR  68   0.929  10.594   7.474
  554    HD1  TYR  68           1HD      TYR  68   1.020  13.189   4.754
  555    HD2  TYR  68           2HD      TYR  68  -1.356  10.995   7.582
  556    HE1  TYR  68           1HE      TYR  68  -0.984  14.483   4.076
  557    HE2  TYR  68           2HE      TYR  68  -3.358  12.291   6.906
  558    HH   TYR  68           HH       TYR  68  -3.735  14.668   5.838
  559    H    GLU  69           H        GLU  69   2.688  11.129   9.269
  560    HA   GLU  69           HA       GLU  69   1.115  12.796  10.950
  561   1HB   GLU  69          2HB       GLU  69   3.655  11.231  11.525
  562   2HB   GLU  69          1HB       GLU  69   2.499  11.775  12.742
  563   1HG   GLU  69          2HG       GLU  69   0.780  10.497  11.145
  564   2HG   GLU  69          1HG       GLU  69   2.233   9.595  10.715
  565    H    LYS  70           H        LYS  70   4.550  13.043  10.017
  566    HA   LYS  70           HA       LYS  70   4.980  15.464  11.628
  567   1HB   LYS  70          2HB       LYS  70   6.567  13.849   9.616
  568   2HB   LYS  70          1HB       LYS  70   7.203  15.327  10.340
  569   1HG   LYS  70          2HG       LYS  70   6.913  14.367  12.586
  570   2HG   LYS  70          1HG       LYS  70   6.246  12.895  11.879
  571   1HD   LYS  70          2HD       LYS  70   8.441  12.734  10.551
  572   2HD   LYS  70          1HD       LYS  70   9.067  13.955  11.660
  573   1HE   LYS  70          2HE       LYS  70   8.617  12.505  13.580
  574   2HE   LYS  70          1HE       LYS  70   7.872  11.293  12.518
  575   1HZ   LYS  70          1HZ       LYS  70  10.210  10.782  12.921
  576   2HZ   LYS  70          2HZ       LYS  70  10.663  12.298  12.303
  577   3HZ   LYS  70          3HZ       LYS  70   9.944  11.143  11.286
  578    H    ASP  71           H        ASP  71   4.338  14.575   8.284
  579    HA   ASP  71           HA       ASP  71   4.813  17.147   7.066
  580   1HB   ASP  71          2HB       ASP  71   3.565  14.539   6.442
  581   2HB   ASP  71          1HB       ASP  71   2.888  15.895   5.546
  582    H    ILE  72           H        ILE  72   1.818  15.519   8.126
  583    HA   ILE  72           HA       ILE  72   0.083  17.776   7.698
  584    HB   ILE  72           HB       ILE  72  -0.021  15.235   9.351
  585   1HG1  ILE  72          2HG1      ILE  72  -0.092  15.026   6.893
  586   2HG1  ILE  72          1HG1      ILE  72  -1.627  14.549   7.614
  587   1HG2  ILE  72          1HG2      ILE  72  -1.508  16.637  10.569
  588   2HG2  ILE  72          2HG2      ILE  72  -2.547  15.742   9.460
  589   3HG2  ILE  72          3HG2      ILE  72  -2.108  17.412   9.102
  590   1HD1  ILE  72          1HD1      ILE  72  -2.193  15.936   5.749
  591   2HD1  ILE  72          2HD1      ILE  72  -0.975  17.132   6.180
  592   3HD1  ILE  72          3HD1      ILE  72  -2.417  16.946   7.175
  593    H    ALA  73           H        ALA  73   2.054  16.721  10.446
  594    HA   ALA  73           HA       ALA  73   1.022  18.370  12.506
  595   1HB   ALA  73          1HB       ALA  73   2.683  16.647  12.889
  596   2HB   ALA  73          2HB       ALA  73   3.390  18.184  13.382
  597   3HB   ALA  73          3HB       ALA  73   3.839  17.462  11.837
  598    H    ALA  74           H        ALA  74   3.509  19.142  10.053
  599    HA   ALA  74           HA       ALA  74   3.971  21.849  10.976
  600   1HB   ALA  74          1HB       ALA  74   5.257  22.003   8.907
  601   2HB   ALA  74          2HB       ALA  74   4.429  20.590   8.254
  602   3HB   ALA  74          3HB       ALA  74   5.524  20.414   9.624
  603    H    TYR  75           H        TYR  75   1.461  20.388   9.099
  604    HA   TYR  75           HA       TYR  75   0.600  23.032   7.998
  605   1HB   TYR  75          2HB       TYR  75   0.958  21.033   6.499
  606   2HB   TYR  75          1HB       TYR  75  -0.351  20.221   7.360
  607    HD1  TYR  75           1HD      TYR  75   0.310  23.574   5.793
  608    HD2  TYR  75           2HD      TYR  75  -2.460  20.345   6.388
  609    HE1  TYR  75           1HE      TYR  75  -1.349  24.733   4.360
  610    HE2  TYR  75           2HE      TYR  75  -4.119  21.504   4.954
  611    HH   TYR  75           HH       TYR  75  -4.041  23.227   3.080
  612    H    ARG  76           H        ARG  76   0.019  20.904  10.569
  613    HA   ARG  76           HA       ARG  76  -2.864  21.105  10.800
  614   1HB   ARG  76          2HB       ARG  76  -0.877  19.604  11.908
  615   2HB   ARG  76          1HB       ARG  76  -1.189  20.734  13.223
  616   1HG   ARG  76          2HG       ARG  76  -3.399  19.226  11.811
  617   2HG   ARG  76          1HG       ARG  76  -2.590  18.603  13.249
  618   1HD   ARG  76          2HD       ARG  76  -3.824  21.369  13.196
  619   2HD   ARG  76          1HD       ARG  76  -4.748  19.929  13.673
  620    HE   ARG  76           HE       ARG  76  -2.122  20.369  14.989
  621   1HH1  ARG  76          1HH1      ARG  76  -4.586  22.199  15.677
  622   2HH1  ARG  76          2HH1      ARG  76  -5.121  21.420  17.128
  623   1HH2  ARG  76          1HH2      ARG  76  -3.227  18.562  16.607
  624   2HH2  ARG  76          2HH2      ARG  76  -4.350  19.361  17.656
  625    H    ALA  77           H        ALA  77  -0.278  22.603  12.790
  626    HA   ALA  77           HA       ALA  77  -2.183  24.797  13.499
  627   1HB   ALA  77          1HB       ALA  77  -0.468  25.145  15.333
  628   2HB   ALA  77          2HB       ALA  77   0.380  23.727  14.717
  629   3HB   ALA  77          3HB       ALA  77  -1.254  23.567  15.362
  630    H    LYS  78           H        LYS  78  -1.786  25.879  11.386
  631    HA   LYS  78           HA       LYS  78   0.748  27.472  11.438
  632   1HB   LYS  78          2HB       LYS  78   0.797  25.476   9.865
  633   2HB   LYS  78          1HB       LYS  78  -0.508  26.250   8.964
  634   1HG   LYS  78          2HG       LYS  78   0.991  28.303   8.796
  635   2HG   LYS  78          1HG       LYS  78   2.297  27.289   9.408
  636   1HD   LYS  78          2HD       LYS  78   2.012  25.738   7.533
  637   2HD   LYS  78          1HD       LYS  78   0.651  26.687   6.934
  638   1HE   LYS  78          2HE       LYS  78   2.236  28.671   6.769
  639   2HE   LYS  78          1HE       LYS  78   3.560  27.531   7.082
  640   1HZ   LYS  78          1HZ       LYS  78   3.139  27.741   4.702
  641   2HZ   LYS  78          2HZ       LYS  78   1.523  27.266   4.932
  642   3HZ   LYS  78          3HZ       LYS  78   2.785  26.172   5.243
  Start of MODEL   13
    1   1H    MET   1          1HT       MET   1  -8.647  14.598   0.761
    2   2H    MET   1          2HT       MET   1  -8.360  16.122   1.455
    3   3H    MET   1          3HT       MET   1  -8.512  14.749   2.445
    4    HA   MET   1           HA       MET   1  -6.181  15.362   2.243
    5   1HB   MET   1          2HB       MET   1  -7.236  12.966   2.259
    6   2HB   MET   1          1HB       MET   1  -6.690  12.900   0.583
    7   1HG   MET   1          2HG       MET   1  -4.392  13.373   1.278
    8   2HG   MET   1          1HG       MET   1  -4.913  13.542   2.955
    9   1HE   MET   1          1HE       MET   1  -5.066  11.852   4.569
   10   2HE   MET   1          2HE       MET   1  -5.522  10.170   4.309
   11   3HE   MET   1          3HE       MET   1  -6.657  11.455   3.904
   12    H    LYS   2           H        LYS   2  -7.438  14.217  -0.915
   13    HA   LYS   2           HA       LYS   2  -6.769  14.737  -3.116
   14   1HB   LYS   2          2HB       LYS   2  -6.288  17.332  -1.623
   15   2HB   LYS   2          1HB       LYS   2  -6.263  17.201  -3.383
   16   1HG   LYS   2          2HG       LYS   2  -8.579  16.348  -3.356
   17   2HG   LYS   2          1HG       LYS   2  -8.606  16.480  -1.597
   18   1HD   LYS   2          2HD       LYS   2  -8.384  18.871  -1.688
   19   2HD   LYS   2          1HD       LYS   2  -8.047  18.831  -3.419
   20   1HE   LYS   2          2HE       LYS   2 -10.339  19.436  -3.320
   21   2HE   LYS   2          1HE       LYS   2 -10.399  17.684  -3.600
   22   1HZ   LYS   2          1HZ       LYS   2 -10.445  19.001  -0.934
   23   2HZ   LYS   2          2HZ       LYS   2 -10.520  17.328  -1.221
   24   3HZ   LYS   2          3HZ       LYS   2 -11.796  18.335  -1.715
   25    H    LYS   3           H        LYS   3  -4.756  16.039  -4.283
   26    HA   LYS   3           HA       LYS   3  -2.207  15.476  -2.861
   27   1HB   LYS   3          2HB       LYS   3  -3.298  13.489  -4.257
   28   2HB   LYS   3          1HB       LYS   3  -2.588  14.360  -5.617
   29   1HG   LYS   3          2HG       LYS   3  -0.393  14.349  -4.399
   30   2HG   LYS   3          1HG       LYS   3  -1.131  13.320  -3.171
   31   1HD   LYS   3          2HD       LYS   3  -0.083  11.797  -4.652
   32   2HD   LYS   3          1HD       LYS   3  -1.782  11.767  -5.126
   33   1HE   LYS   3          2HE       LYS   3  -1.393  13.004  -7.083
   34   2HE   LYS   3          1HE       LYS   3   0.114  13.700  -6.456
   35   1HZ   LYS   3          1HZ       LYS   3   0.562  11.903  -8.029
   36   2HZ   LYS   3          2HZ       LYS   3  -0.332  10.825  -7.067
   37   3HZ   LYS   3          3HZ       LYS   3   1.109  11.504  -6.474
   38    H    ASP   4           H        ASP   4  -1.245  17.466  -3.110
   39    HA   ASP   4           HA       ASP   4  -1.459  18.849  -5.757
   40   1HB   ASP   4          2HB       ASP   4  -1.258  19.631  -2.892
   41   2HB   ASP   4          1HB       ASP   4  -0.425  20.676  -4.044
   42    HA   PRO   5           HA       PRO   5   2.865  18.373  -6.465
   43   1HB   PRO   5          2HB       PRO   5   3.707  20.847  -7.277
   44   2HB   PRO   5          1HB       PRO   5   2.708  19.786  -8.290
   45   1HG   PRO   5          2HG       PRO   5   1.908  22.133  -6.646
   46   2HG   PRO   5          1HG       PRO   5   1.335  21.623  -8.241
   47   1HD   PRO   5          2HD       PRO   5  -0.055  21.197  -5.935
   48   2HD   PRO   5          1HD       PRO   5  -0.188  20.155  -7.368
   49    H    ASN   6           H        ASN   6   2.070  21.262  -4.545
   50    HA   ASN   6           HA       ASN   6   4.704  21.450  -3.296
   51   1HB   ASN   6          2HB       ASN   6   1.972  22.659  -2.776
   52   2HB   ASN   6          1HB       ASN   6   3.404  23.093  -1.842
   53   1HD2  ASN   6          1HD2      ASN   6   5.369  23.770  -3.308
   54   2HD2  ASN   6          2HD2      ASN   6   4.997  24.729  -4.659
   55    H    ALA   7           H        ALA   7   1.641  19.880  -2.563
   56    HA   ALA   7           HA       ALA   7   2.213  19.299   0.231
   57   1HB   ALA   7          1HB       ALA   7   0.210  17.925   0.025
   58   2HB   ALA   7          2HB       ALA   7   0.343  17.938  -1.734
   59   3HB   ALA   7          3HB       ALA   7  -0.043  19.425  -0.869
   60    HA   PRO   8           HA       PRO   8   4.648  15.709  -0.319
   61   1HB   PRO   8          2HB       PRO   8   3.986  14.227   1.862
   62   2HB   PRO   8          1HB       PRO   8   5.056  15.640   1.884
   63   1HG   PRO   8          2HG       PRO   8   2.324  15.372   2.866
   64   2HG   PRO   8          1HG       PRO   8   3.583  16.551   3.214
   65   1HD   PRO   8          2HD       PRO   8   1.328  16.918   1.536
   66   2HD   PRO   8          1HD       PRO   8   2.645  18.060   1.869
   67    H    LYS   9           H        LYS   9   4.591  13.471  -0.986
   68    HA   LYS   9           HA       LYS   9   2.476  12.595  -2.575
   69   1HB   LYS   9          2HB       LYS   9   4.655  11.188  -1.040
   70   2HB   LYS   9          1HB       LYS   9   3.551  10.281  -2.073
   71   1HG   LYS   9          2HG       LYS   9   4.254  11.418  -4.024
   72   2HG   LYS   9          1HG       LYS   9   5.004  12.719  -3.097
   73   1HD   LYS   9          2HD       LYS   9   5.973   9.869  -2.872
   74   2HD   LYS   9          1HD       LYS   9   6.577  10.951  -4.127
   75   1HE   LYS   9          2HE       LYS   9   7.063  12.618  -2.209
   76   2HE   LYS   9          1HE       LYS   9   6.860  11.224  -1.131
   77   1HZ   LYS   9          1HZ       LYS   9   9.166  11.443  -1.877
   78   2HZ   LYS   9          2HZ       LYS   9   8.660  11.318  -3.495
   79   3HZ   LYS   9          3HZ       LYS   9   8.470  10.001  -2.439
   80    H    ARG  10           H        ARG  10   0.751  11.126  -2.298
   81    HA   ARG  10           HA       ARG  10  -0.747  11.276   0.140
   82   1HB   ARG  10          2HB       ARG  10  -2.179   9.596  -1.010
   83   2HB   ARG  10          1HB       ARG  10  -1.715  10.907  -2.092
   84   1HG   ARG  10          2HG       ARG  10  -0.861   9.385  -3.516
   85   2HG   ARG  10          1HG       ARG  10   0.337   8.956  -2.297
   86   1HD   ARG  10          2HD       ARG  10  -0.977   7.168  -1.463
   87   2HD   ARG  10          1HD       ARG  10  -2.453   7.783  -2.234
   88    HE   ARG  10           HE       ARG  10  -1.661   6.963  -4.342
   89   1HH1  ARG  10          1HH2      ARG  10  -0.408   5.079  -2.066
   90   2HH1  ARG  10          2HH2      ARG  10   1.107   4.736  -2.832
   91   1HH2  ARG  10          1HH1      ARG  10   0.755   7.212  -5.234
   92   2HH2  ARG  10          2HH1      ARG  10   1.765   5.944  -4.625
   93    HA   PRO  11           HA       PRO  11   1.095   7.954   2.394
   94   1HB   PRO  11          2HB       PRO  11  -0.914   7.379   4.148
   95   2HB   PRO  11          1HB       PRO  11   0.078   8.844   4.266
   96   1HG   PRO  11          2HG       PRO  11  -2.697   8.517   3.314
   97   2HG   PRO  11          1HG       PRO  11  -1.921   9.904   4.089
   98   1HD   PRO  11          2HD       PRO  11  -2.456   9.625   1.359
   99   2HD   PRO  11          1HD       PRO  11  -1.381  10.827   2.099
  100    HA   PRO  12           HA       PRO  12  -0.814   4.550   0.067
  101   1HB   PRO  12          2HB       PRO  12   1.263   2.790   0.347
  102   2HB   PRO  12          1HB       PRO  12   1.254   4.084  -0.868
  103   1HG   PRO  12          2HG       PRO  12   2.623   3.976   1.773
  104   2HG   PRO  12          1HG       PRO  12   3.193   4.636   0.232
  105   1HD   PRO  12          2HD       PRO  12   2.242   6.183   2.257
  106   2HD   PRO  12          1HD       PRO  12   2.126   6.639   0.543
  107    H    SER  13           H        SER  13  -0.444   1.897   0.865
  108    HA   SER  13           HA       SER  13  -0.637   1.591   3.759
  109   1HB   SER  13          2HB       SER  13  -3.045   1.908   2.009
  110   2HB   SER  13          1HB       SER  13  -3.141   0.805   3.378
  111    HG   SER  13           HG       SER  13  -3.567   3.283   3.537
  112    H    ALA  14           H        ALA  14   0.911   0.223   1.754
  113    HA   ALA  14           HA       ALA  14   1.563  -1.981   1.315
  114   1HB   ALA  14          1HB       ALA  14   0.020  -2.206   3.595
  115   2HB   ALA  14          2HB       ALA  14   0.887  -3.539   2.834
  116   3HB   ALA  14          3HB       ALA  14  -0.820  -3.278   2.473
  117    H    PHE  15           H        PHE  15  -2.023  -2.241   1.261
  118    HA   PHE  15           HA       PHE  15  -2.119  -3.648  -1.211
  119   1HB   PHE  15          2HB       PHE  15  -3.940  -3.498   0.463
  120   2HB   PHE  15          1HB       PHE  15  -4.150  -1.791   0.077
  121    HD1  PHE  15           1HD      PHE  15  -3.647  -4.870  -2.022
  122    HD2  PHE  15           2HD      PHE  15  -6.108  -1.459  -1.146
  123    HE1  PHE  15           1HE      PHE  15  -5.146  -5.468  -3.904
  124    HE2  PHE  15           2HE      PHE  15  -7.608  -2.060  -3.028
  125    HZ   PHE  15           HZ       PHE  15  -7.126  -4.063  -4.407
  126    H    PHE  16           H        PHE  16  -1.737  -0.225  -0.553
  127    HA   PHE  16           HA       PHE  16  -2.595   0.709  -3.167
  128   1HB   PHE  16          2HB       PHE  16  -2.188   1.850  -0.758
  129   2HB   PHE  16          1HB       PHE  16  -0.636   2.231  -1.504
  130    HD1  PHE  16           1HD      PHE  16  -3.877   3.426  -1.027
  131    HD2  PHE  16           2HD      PHE  16  -0.896   3.014  -4.091
  132    HE1  PHE  16           1HE      PHE  16  -4.942   5.262  -2.310
  133    HE2  PHE  16           2HE      PHE  16  -1.959   4.851  -5.374
  134    HZ   PHE  16           HZ       PHE  16  -3.983   5.975  -4.483
  135    H    LEU  17           H        LEU  17   0.475  -0.375  -1.785
  136    HA   LEU  17           HA       LEU  17   2.190   0.558  -3.922
  137   1HB   LEU  17          2HB       LEU  17   2.274  -1.544  -1.761
  138   2HB   LEU  17          1HB       LEU  17   3.541  -1.523  -2.984
  139    HG   LEU  17           HG       LEU  17   4.184  -0.216  -0.979
  140   1HD1  LEU  17          1HD1      LEU  17   3.664   1.722  -3.230
  141   2HD1  LEU  17          2HD1      LEU  17   4.833   0.411  -3.395
  142   3HD1  LEU  17          3HD1      LEU  17   5.056   1.639  -2.150
  143   1HD2  LEU  17          1HD2      LEU  17   1.857   1.577  -1.743
  144   2HD2  LEU  17          2HD2      LEU  17   3.003   1.860  -0.435
  145   3HD2  LEU  17          3HD2      LEU  17   1.883   0.501  -0.346
  146    H    PHE  18           H        PHE  18   1.438  -2.821  -3.236
  147    HA   PHE  18           HA       PHE  18   1.848  -4.152  -5.574
  148   1HB   PHE  18          2HB       PHE  18   0.948  -5.193  -3.577
  149   2HB   PHE  18          1HB       PHE  18  -0.569  -4.313  -3.746
  150    HD1  PHE  18           1HD      PHE  18   1.547  -6.997  -5.199
  151    HD2  PHE  18           2HD      PHE  18  -2.283  -5.051  -5.261
  152    HE1  PHE  18           1HE      PHE  18   0.634  -8.837  -6.589
  153    HE2  PHE  18           2HE      PHE  18  -3.194  -6.890  -6.651
  154    HZ   PHE  18           HZ       PHE  18  -1.740  -8.785  -7.315
  155    H    CYS  19           H        CYS  19  -1.349  -2.527  -4.989
  156    HA   CYS  19           HA       CYS  19  -2.295  -2.893  -7.660
  157   1HB   CYS  19          2HB       CYS  19  -3.669  -2.376  -5.653
  158   2HB   CYS  19          1HB       CYS  19  -2.956  -0.766  -5.598
  159    HG   CYS  19           HG       CYS  19  -5.256  -0.699  -6.935
  160    H    SER  20           H        SER  20  -0.599  -0.158  -6.127
  161    HA   SER  20           HA       SER  20  -0.734   1.710  -8.250
  162   1HB   SER  20          2HB       SER  20   0.079   2.311  -6.063
  163   2HB   SER  20          1HB       SER  20   1.388   1.139  -6.165
  164    HG   SER  20           HG       SER  20   2.017   3.324  -6.649
  165    H    GLU  21           H        GLU  21   1.376  -1.121  -7.885
  166    HA   GLU  21           HA       GLU  21   2.978  -0.307 -10.237
  167   1HB   GLU  21          2HB       GLU  21   4.303  -2.306  -9.640
  168   2HB   GLU  21          1HB       GLU  21   4.062  -1.255  -8.246
  169   1HG   GLU  21          2HG       GLU  21   2.466  -2.698  -7.284
  170   2HG   GLU  21          1HG       GLU  21   2.184  -3.547  -8.804
  171    H    HIS  22           H        HIS  22   0.344  -2.561  -9.455
  172    HA   HIS  22           HA       HIS  22   0.624  -3.871 -12.114
  173   1HB   HIS  22          2HB       HIS  22  -0.965  -4.351  -9.585
  174   2HB   HIS  22          1HB       HIS  22  -1.281  -5.254 -11.065
  175    HD1  HIS  22           1HD      HIS  22   1.048  -6.386 -12.119
  176    HD2  HIS  22           2HD      HIS  22   0.970  -5.537  -8.038
  177    HE1  HIS  22           1HE      HIS  22   2.866  -7.796 -11.059
  178    H    ARG  23           H        ARG  23  -0.543  -1.006 -11.363
  179    HA   ARG  23           HA       ARG  23  -3.339  -1.228 -12.179
  180   1HB   ARG  23          2HB       ARG  23  -2.525   0.415 -10.539
  181   2HB   ARG  23          1HB       ARG  23  -1.504   1.151 -11.766
  182   1HG   ARG  23          2HG       ARG  23  -3.306   2.061 -12.923
  183   2HG   ARG  23          1HG       ARG  23  -4.435   0.849 -12.315
  184   1HD   ARG  23          2HD       ARG  23  -5.013   2.808 -11.104
  185   2HD   ARG  23          1HD       ARG  23  -3.962   1.928  -9.976
  186    HE   ARG  23           HE       ARG  23  -2.087   3.372 -10.739
  187   1HH1  ARG  23          1HH2      ARG  23  -3.780   4.218 -13.229
  188   2HH1  ARG  23          2HH2      ARG  23  -4.067   5.880 -12.836
  189   1HH2  ARG  23          1HH1      ARG  23  -3.106   5.537  -9.522
  190   2HH2  ARG  23          2HH1      ARG  23  -3.685   6.628 -10.736
  191    HA   PRO  24           HA       PRO  24  -1.692   0.770 -16.187
  192   1HB   PRO  24          2HB       PRO  24   0.975   0.620 -16.758
  193   2HB   PRO  24          1HB       PRO  24   0.247   1.982 -15.883
  194   1HG   PRO  24          2HG       PRO  24   1.808  -0.316 -14.845
  195   2HG   PRO  24          1HG       PRO  24   1.773   1.367 -14.302
  196   1HD   PRO  24          2HD       PRO  24   0.477  -0.704 -13.053
  197   2HD   PRO  24          1HD       PRO  24   0.022   1.005 -12.907
  198    H    LYS  25           H        LYS  25  -0.819  -2.263 -14.895
  199    HA   LYS  25           HA       LYS  25  -0.118  -3.511 -17.480
  200   1HB   LYS  25          2HB       LYS  25   0.870  -4.011 -15.162
  201   2HB   LYS  25          1HB       LYS  25  -0.657  -4.817 -14.805
  202   1HG   LYS  25          2HG       LYS  25  -0.294  -6.500 -16.378
  203   2HG   LYS  25          1HG       LYS  25   0.817  -5.510 -17.326
  204   1HD   LYS  25          2HD       LYS  25   2.565  -5.760 -15.712
  205   2HD   LYS  25          1HD       LYS  25   1.459  -6.454 -14.525
  206   1HE   LYS  25          2HE       LYS  25   2.666  -8.311 -15.470
  207   2HE   LYS  25          1HE       LYS  25   1.064  -8.342 -16.235
  208   1HZ   LYS  25          1HZ       LYS  25   1.927  -7.071 -18.078
  209   2HZ   LYS  25          2HZ       LYS  25   2.869  -8.473 -17.877
  210   3HZ   LYS  25          3HZ       LYS  25   3.454  -6.968 -17.346
  211    H    ILE  26           H        ILE  26  -2.800  -3.491 -15.137
  212    HA   ILE  26           HA       ILE  26  -4.398  -5.470 -16.538
  213    HB   ILE  26           HB       ILE  26  -5.115  -3.320 -14.516
  214   1HG1  ILE  26          2HG1      ILE  26  -3.347  -4.853 -13.724
  215   2HG1  ILE  26          1HG1      ILE  26  -4.852  -5.132 -12.855
  216   1HG2  ILE  26          1HG2      ILE  26  -6.614  -5.615 -15.717
  217   2HG2  ILE  26          2HG2      ILE  26  -7.197  -4.017 -15.252
  218   3HG2  ILE  26          3HG2      ILE  26  -6.888  -5.237 -14.016
  219   1HD1  ILE  26          1HD1      ILE  26  -5.351  -7.003 -14.472
  220   2HD1  ILE  26          2HD1      ILE  26  -3.936  -7.290 -13.461
  221   3HD1  ILE  26          3HD1      ILE  26  -3.733  -6.784 -15.138
  222    H    LYS  27           H        LYS  27  -3.907  -2.030 -16.895
  223    HA   LYS  27           HA       LYS  27  -6.381  -1.497 -18.366
  224   1HB   LYS  27          2HB       LYS  27  -3.767  -0.043 -17.889
  225   2HB   LYS  27          1HB       LYS  27  -5.074   0.650 -18.849
  226   1HG   LYS  27          2HG       LYS  27  -6.612   0.353 -16.910
  227   2HG   LYS  27          1HG       LYS  27  -5.249  -0.229 -15.953
  228   1HD   LYS  27          2HD       LYS  27  -5.314   2.049 -15.397
  229   2HD   LYS  27          1HD       LYS  27  -4.106   2.007 -16.682
  230   1HE   LYS  27          2HE       LYS  27  -5.526   3.787 -17.338
  231   2HE   LYS  27          1HE       LYS  27  -6.159   2.416 -18.272
  232   1HZ   LYS  27          1HZ       LYS  27  -7.930   3.563 -17.058
  233   2HZ   LYS  27          2HZ       LYS  27  -7.128   3.264 -15.591
  234   3HZ   LYS  27          3HZ       LYS  27  -7.738   1.970 -16.510
  235    H    SER  28           H        SER  28  -3.231  -2.775 -19.164
  236    HA   SER  28           HA       SER  28  -3.240  -2.041 -21.985
  237   1HB   SER  28          2HB       SER  28  -1.221  -2.563 -20.611
  238   2HB   SER  28          1HB       SER  28  -1.776  -4.228 -20.468
  239    HG   SER  28           HG       SER  28  -0.691  -2.866 -22.635
  240    H    GLU  29           H        GLU  29  -3.915  -5.057 -20.192
  241    HA   GLU  29           HA       GLU  29  -4.920  -6.413 -22.608
  242   1HB   GLU  29          2HB       GLU  29  -4.626  -7.087 -19.674
  243   2HB   GLU  29          1HB       GLU  29  -5.380  -8.201 -20.816
  244   1HG   GLU  29          2HG       GLU  29  -3.235  -7.816 -22.246
  245   2HG   GLU  29          1HG       GLU  29  -2.533  -7.225 -20.740
  246    H    HIS  30           H        HIS  30  -6.275  -4.057 -20.778
  247    HA   HIS  30           HA       HIS  30  -9.022  -4.907 -21.428
  248   1HB   HIS  30          2HB       HIS  30  -8.138  -4.249 -18.595
  249   2HB   HIS  30          1HB       HIS  30  -9.792  -4.557 -19.102
  250    HD1  HIS  30           1HD      HIS  30 -10.495  -6.990 -19.513
  251    HD2  HIS  30           2HD      HIS  30  -6.460  -6.579 -18.570
  252    HE1  HIS  30           1HE      HIS  30  -9.632  -9.325 -19.039
  253    HA   PRO  31           HA       PRO  31  -8.080  -0.419 -21.982
  254   1HB   PRO  31          2HB       PRO  31  -9.587  -0.149 -24.263
  255   2HB   PRO  31          1HB       PRO  31  -7.892  -0.683 -24.276
  256   1HG   PRO  31          2HG       PRO  31 -10.389  -2.316 -24.423
  257   2HG   PRO  31          1HG       PRO  31  -8.882  -2.478 -25.343
  258   1HD   PRO  31          2HD       PRO  31  -9.446  -4.074 -23.241
  259   2HD   PRO  31          1HD       PRO  31  -7.786  -3.560 -23.619
  260    H    GLY  32           H        GLY  32  -9.343   0.967 -20.807
  261   1HA   GLY  32          2HA       GLY  32 -11.397   2.146 -20.334
  262   2HA   GLY  32          1HA       GLY  32 -12.298   0.805 -21.040
  263    H    LEU  33           H        LEU  33 -10.411  -1.040 -19.396
  264    HA   LEU  33           HA       LEU  33 -12.113  -1.771 -17.313
  265   1HB   LEU  33          2HB       LEU  33  -9.917  -2.767 -18.335
  266   2HB   LEU  33          1HB       LEU  33  -9.115  -1.889 -17.042
  267    HG   LEU  33           HG       LEU  33  -9.598  -4.227 -16.401
  268   1HD1  LEU  33          1HD1      LEU  33 -10.362  -3.734 -14.245
  269   2HD1  LEU  33          2HD1      LEU  33 -11.462  -2.479 -14.815
  270   3HD1  LEU  33          3HD1      LEU  33  -9.722  -2.188 -14.799
  271   1HD2  LEU  33          1HD2      LEU  33 -12.532  -3.572 -16.357
  272   2HD2  LEU  33          2HD2      LEU  33 -11.746  -5.150 -16.380
  273   3HD2  LEU  33          3HD2      LEU  33 -11.794  -4.169 -17.844
  274    H    SER  34           H        SER  34 -12.926  -0.211 -15.942
  275    HA   SER  34           HA       SER  34 -11.612   2.062 -14.869
  276   1HB   SER  34          2HB       SER  34 -13.407   1.713 -13.033
  277   2HB   SER  34          1HB       SER  34 -13.972   1.881 -14.692
  278    HG   SER  34           HG       SER  34 -14.739  -0.061 -14.547
  279    H    ILE  35           H        ILE  35 -11.520   2.079 -12.193
  280    HA   ILE  35           HA       ILE  35  -9.285   0.234 -11.555
  281    HB   ILE  35           HB       ILE  35 -10.500   2.588 -10.068
  282   1HG1  ILE  35          2HG1      ILE  35  -8.019   3.364 -11.026
  283   2HG1  ILE  35          1HG1      ILE  35  -8.644   2.384 -12.352
  284   1HG2  ILE  35          1HG2      ILE  35  -8.093   0.846  -9.625
  285   2HG2  ILE  35          2HG2      ILE  35  -9.264   1.446  -8.450
  286   3HG2  ILE  35          3HG2      ILE  35  -8.048   2.535  -9.119
  287   1HD1  ILE  35          1HD1      ILE  35  -9.738   4.272 -12.972
  288   2HD1  ILE  35          2HD1      ILE  35  -9.532   5.019 -11.388
  289   3HD1  ILE  35          3HD1      ILE  35 -10.851   3.881 -11.661
  290    H    GLY  36           H        GLY  36 -12.384  -0.405 -11.519
  291   1HA   GLY  36          2HA       GLY  36 -12.599  -1.279  -8.684
  292   2HA   GLY  36          1HA       GLY  36 -13.938  -1.204  -9.831
  293    H    ASP  37           H        ASP  37 -13.122  -2.597 -11.974
  294    HA   ASP  37           HA       ASP  37 -13.348  -5.336 -11.194
  295   1HB   ASP  37          2HB       ASP  37 -12.339  -4.058 -13.751
  296   2HB   ASP  37          1HB       ASP  37 -12.865  -5.732 -13.601
  297    H    THR  38           H        THR  38 -10.479  -3.472 -12.302
  298    HA   THR  38           HA       THR  38  -8.650  -5.690 -12.086
  299    HB   THR  38           HB       THR  38  -8.183  -3.720 -13.447
  300    HG1  THR  38           1HG      THR  38  -6.414  -3.727 -11.241
  301   1HG2  THR  38          1HG2      THR  38  -9.242  -1.926 -12.333
  302   2HG2  THR  38          2HG2      THR  38  -7.519  -1.580 -12.192
  303   3HG2  THR  38          3HG2      THR  38  -8.396  -2.256 -10.822
  304    H    ALA  39           H        ALA  39  -9.870  -3.310  -9.806
  305    HA   ALA  39           HA       ALA  39  -7.956  -3.731  -7.691
  306   1HB   ALA  39          1HB       ALA  39  -9.830  -2.753  -6.315
  307   2HB   ALA  39          2HB       ALA  39 -10.874  -2.881  -7.730
  308   3HB   ALA  39          3HB       ALA  39  -9.469  -1.816  -7.764
  309    H    LYS  40           H        LYS  40 -10.791  -5.475  -8.802
  310    HA   LYS  40           HA       LYS  40 -11.041  -7.174  -6.428
  311   1HB   LYS  40          2HB       LYS  40 -12.303  -6.797  -9.092
  312   2HB   LYS  40          1HB       LYS  40 -12.403  -8.428  -8.429
  313   1HG   LYS  40          2HG       LYS  40 -14.307  -7.445  -7.507
  314   2HG   LYS  40          1HG       LYS  40 -13.123  -7.178  -6.227
  315   1HD   LYS  40          2HD       LYS  40 -12.670  -4.918  -7.122
  316   2HD   LYS  40          1HD       LYS  40 -13.872  -5.182  -8.385
  317   1HE   LYS  40          2HE       LYS  40 -15.154  -4.060  -6.775
  318   2HE   LYS  40          1HE       LYS  40 -15.440  -5.749  -6.306
  319   1HZ   LYS  40          1HZ       LYS  40 -14.708  -4.452  -4.400
  320   2HZ   LYS  40          2HZ       LYS  40 -13.303  -3.982  -5.231
  321   3HZ   LYS  40          3HZ       LYS  40 -13.540  -5.611  -4.808
  322    H    LYS  41           H        LYS  41  -9.448  -7.307  -9.581
  323    HA   LYS  41           HA       LYS  41  -8.652 -10.128  -9.293
  324   1HB   LYS  41          2HB       LYS  41  -9.162  -8.604 -11.403
  325   2HB   LYS  41          1HB       LYS  41  -7.459  -8.176 -11.236
  326   1HG   LYS  41          2HG       LYS  41  -6.992 -10.695 -11.139
  327   2HG   LYS  41          1HG       LYS  41  -8.650 -10.913 -11.700
  328   1HD   LYS  41          2HD       LYS  41  -8.052  -9.288 -13.597
  329   2HD   LYS  41          1HD       LYS  41  -6.371  -9.533 -13.121
  330   1HE   LYS  41          2HE       LYS  41  -8.252 -11.825 -13.775
  331   2HE   LYS  41          1HE       LYS  41  -7.148 -11.096 -14.958
  332   1HZ   LYS  41          1HZ       LYS  41  -6.112 -12.973 -13.801
  333   2HZ   LYS  41          2HZ       LYS  41  -6.347 -12.190 -12.312
  334   3HZ   LYS  41          3HZ       LYS  41  -5.304 -11.518 -13.472
  335    H    LEU  42           H        LEU  42  -7.394  -6.996  -8.443
  336    HA   LEU  42           HA       LEU  42  -4.590  -7.856  -8.199
  337   1HB   LEU  42          2HB       LEU  42  -6.235  -5.421  -8.028
  338   2HB   LEU  42          1HB       LEU  42  -4.936  -5.465  -6.839
  339    HG   LEU  42           HG       LEU  42  -3.313  -5.951  -8.652
  340   1HD1  LEU  42          1HD1      LEU  42  -5.647  -5.413 -10.512
  341   2HD1  LEU  42          2HD1      LEU  42  -4.994  -7.019 -10.189
  342   3HD1  LEU  42          3HD1      LEU  42  -3.992  -5.802 -10.979
  343   1HD2  LEU  42          1HD2      LEU  42  -4.146  -3.595  -7.890
  344   2HD2  LEU  42          2HD2      LEU  42  -4.894  -3.536  -9.486
  345   3HD2  LEU  42          3HD2      LEU  42  -3.146  -3.722  -9.336
  346    H    GLY  43           H        GLY  43  -7.079  -6.683  -5.897
  347   1HA   GLY  43          2HA       GLY  43  -5.755  -7.315  -3.493
  348   2HA   GLY  43          1HA       GLY  43  -7.513  -7.300  -3.663
  349    H    GLU  44           H        GLU  44  -7.371  -9.429  -5.767
  350    HA   GLU  44           HA       GLU  44  -7.572 -11.752  -4.034
  351   1HB   GLU  44          2HB       GLU  44  -8.854 -11.336  -6.160
  352   2HB   GLU  44          1HB       GLU  44  -7.350 -11.536  -7.061
  353   1HG   GLU  44          2HG       GLU  44  -8.301 -13.682  -7.157
  354   2HG   GLU  44          1HG       GLU  44  -7.177 -13.814  -5.804
  355    H    MET  45           H        MET  45  -5.167 -10.466  -6.309
  356    HA   MET  45           HA       MET  45  -3.332 -12.726  -5.990
  357   1HB   MET  45          2HB       MET  45  -3.439 -10.077  -7.394
  358   2HB   MET  45          1HB       MET  45  -1.865 -10.846  -7.183
  359   1HG   MET  45          2HG       MET  45  -2.533 -12.784  -8.393
  360   2HG   MET  45          1HG       MET  45  -4.237 -12.335  -8.317
  361   1HE   MET  45          1HE       MET  45  -0.887 -12.033  -9.725
  362   2HE   MET  45          2HE       MET  45  -0.861 -10.303  -9.390
  363   3HE   MET  45          3HE       MET  45  -0.935 -10.868 -11.057
  364    H    TRP  46           H        TRP  46  -3.546  -9.353  -4.817
  365    HA   TRP  46           HA       TRP  46  -1.096  -9.113  -3.422
  366   1HB   TRP  46          2HB       TRP  46  -2.653  -7.286  -3.744
  367   2HB   TRP  46          1HB       TRP  46  -3.901  -8.103  -2.815
  368    HD1  TRP  46           HD       TRP  46  -4.103  -7.109  -0.478
  369    HE1  TRP  46           1HE      TRP  46  -2.478  -6.084   1.244
  370    HE3  TRP  46           3HE      TRP  46   0.260  -7.485  -3.073
  371    HZ2  TRP  46           2HZ      TRP  46   0.318  -5.504   1.479
  372    HZ3  TRP  46           3HZ      TRP  46   2.392  -6.693  -2.089
  373    HH2  TRP  46           HH       TRP  46   2.421  -5.710   0.177
  374    H    SER  47           H        SER  47  -4.211 -10.411  -2.193
  375    HA   SER  47           HA       SER  47  -3.236 -11.166   0.399
  376   1HB   SER  47          2HB       SER  47  -5.626 -10.885  -0.403
  377   2HB   SER  47          1HB       SER  47  -5.459 -12.428  -1.234
  378    HG   SER  47           HG       SER  47  -5.080 -11.966   1.546
  379    H    GLU  48           H        GLU  48  -2.536 -12.496  -2.693
  380    HA   GLU  48           HA       GLU  48  -1.929 -15.184  -1.591
  381   1HB   GLU  48          2HB       GLU  48  -2.473 -13.945  -4.269
  382   2HB   GLU  48          1HB       GLU  48  -1.521 -15.427  -4.203
  383   1HG   GLU  48          2HG       GLU  48  -4.140 -15.207  -2.727
  384   2HG   GLU  48          1HG       GLU  48  -4.093 -15.656  -4.433
  385    H    GLN  49           H        GLN  49  -0.412 -12.177  -2.458
  386    HA   GLN  49           HA       GLN  49   2.117 -13.080  -3.409
  387   1HB   GLN  49          2HB       GLN  49   1.329 -10.684  -1.708
  388   2HB   GLN  49          1HB       GLN  49   2.860 -10.836  -2.564
  389   1HG   GLN  49          2HG       GLN  49   0.118 -10.815  -3.847
  390   2HG   GLN  49          1HG       GLN  49   1.265  -9.483  -3.861
  391   1HE2  GLN  49          1HE2      GLN  49   0.211 -10.997  -6.212
  392   2HE2  GLN  49          2HE2      GLN  49   1.571 -11.652  -6.985
  393    H    SER  50           H        SER  50   3.956 -13.753  -2.302
  394    HA   SER  50           HA       SER  50   3.583 -14.581   0.515
  395   1HB   SER  50          2HB       SER  50   5.578 -15.941   0.033
  396   2HB   SER  50          1HB       SER  50   4.409 -16.125  -1.270
  397    HG   SER  50           HG       SER  50   6.403 -15.721  -2.179
  398    H    ALA  51           H        ALA  51   6.890 -14.130   0.059
  399    HA   ALA  51           HA       ALA  51   6.774 -11.519   1.501
  400   1HB   ALA  51          1HB       ALA  51   9.194 -12.285   2.044
  401   2HB   ALA  51          2HB       ALA  51   8.708 -13.836   1.357
  402   3HB   ALA  51          3HB       ALA  51   7.869 -13.196   2.770
  403    H    LYS  52           H        LYS  52   7.378 -12.708  -1.615
  404    HA   LYS  52           HA       LYS  52   9.653 -10.992  -2.293
  405   1HB   LYS  52          2HB       LYS  52   8.973 -13.234  -3.323
  406   2HB   LYS  52          1HB       LYS  52   7.664 -12.363  -4.123
  407   1HG   LYS  52          2HG       LYS  52   9.533 -10.746  -4.932
  408   2HG   LYS  52          1HG       LYS  52  10.636 -12.055  -4.507
  409   1HD   LYS  52          2HD       LYS  52   9.803 -13.478  -6.143
  410   2HD   LYS  52          1HD       LYS  52   8.226 -12.685  -6.173
  411   1HE   LYS  52          2HE       LYS  52   9.636 -10.613  -7.050
  412   2HE   LYS  52          1HE       LYS  52  10.770 -11.884  -7.547
  413   1HZ   LYS  52          1HZ       LYS  52   7.858 -11.844  -8.146
  414   2HZ   LYS  52          2HZ       LYS  52   8.953 -13.054  -8.618
  415   3HZ   LYS  52          3HZ       LYS  52   9.088 -11.486  -9.257
  416    H    ASP  53           H        ASP  53   6.127 -10.959  -2.825
  417    HA   ASP  53           HA       ASP  53   6.345  -8.076  -3.642
  418   1HB   ASP  53          2HB       ASP  53   4.963 -10.448  -4.736
  419   2HB   ASP  53          1HB       ASP  53   3.958  -9.002  -4.633
  420    H    LYS  54           H        LYS  54   6.207  -8.403  -1.008
  421    HA   LYS  54           HA       LYS  54   3.633  -7.302  -0.253
  422   1HB   LYS  54          2HB       LYS  54   3.701 -10.011  -0.517
  423   2HB   LYS  54          1HB       LYS  54   4.143  -9.833   1.178
  424   1HG   LYS  54          2HG       LYS  54   2.119  -8.202   1.309
  425   2HG   LYS  54          1HG       LYS  54   1.633  -8.913  -0.225
  426   1HD   LYS  54          2HD       LYS  54   0.498 -10.152   1.465
  427   2HD   LYS  54          1HD       LYS  54   1.814 -11.177   0.899
  428   1HE   LYS  54          2HE       LYS  54   2.181 -11.366   3.183
  429   2HE   LYS  54          1HE       LYS  54   3.114  -9.885   2.887
  430   1HZ   LYS  54          1HZ       LYS  54   0.238 -10.002   3.632
  431   2HZ   LYS  54          2HZ       LYS  54   1.119  -8.584   3.315
  432   3HZ   LYS  54          3HZ       LYS  54   1.504  -9.543   4.664
  433    H    GLN  55           H        GLN  55   6.716  -8.730   0.783
  434    HA   GLN  55           HA       GLN  55   6.635  -7.702   3.494
  435   1HB   GLN  55          2HB       GLN  55   8.548  -9.009   1.633
  436   2HB   GLN  55          1HB       GLN  55   9.265  -8.086   2.952
  437   1HG   GLN  55          2HG       GLN  55   7.129 -10.207   3.316
  438   2HG   GLN  55          1HG       GLN  55   8.855 -10.485   3.545
  439   1HE2  GLN  55          1HE2      GLN  55   5.989  -9.299   5.068
  440   2HE2  GLN  55          2HE2      GLN  55   6.724  -8.702   6.477
  441    HA   PRO  56           HA       PRO  56   9.414  -4.193   1.816
  442   1HB   PRO  56          2HB       PRO  56   9.760  -3.940  -0.884
  443   2HB   PRO  56          1HB       PRO  56  10.828  -4.922   0.137
  444   1HG   PRO  56          2HG       PRO  56   8.591  -5.775  -1.630
  445   2HG   PRO  56          1HG       PRO  56  10.160  -6.544  -1.346
  446   1HD   PRO  56          2HD       PRO  56   7.843  -7.393  -0.207
  447   2HD   PRO  56          1HD       PRO  56   9.440  -7.617   0.539
  448    H    TYR  57           H        TYR  57   6.386  -5.121   0.526
  449    HA   TYR  57           HA       TYR  57   5.694  -2.525  -0.665
  450   1HB   TYR  57          2HB       TYR  57   4.311  -5.152  -0.111
  451   2HB   TYR  57          1HB       TYR  57   3.423  -3.765  -0.744
  452    HD1  TYR  57           1HD      TYR  57   3.296  -3.496  -3.050
  453    HD2  TYR  57           2HD      TYR  57   6.603  -5.667  -1.381
  454    HE1  TYR  57           1HE      TYR  57   4.116  -4.000  -5.333
  455    HE2  TYR  57           2HE      TYR  57   7.424  -6.172  -3.665
  456    HH   TYR  57           HH       TYR  57   5.578  -5.852  -6.393
  457    H    GLU  58           H        GLU  58   4.830  -4.375   2.274
  458    HA   GLU  58           HA       GLU  58   3.057  -2.292   3.291
  459   1HB   GLU  58          2HB       GLU  58   3.002  -3.788   5.267
  460   2HB   GLU  58          1HB       GLU  58   2.781  -4.693   3.772
  461   1HG   GLU  58          2HG       GLU  58   4.475  -6.018   4.470
  462   2HG   GLU  58          1HG       GLU  58   5.546  -4.667   4.110
  463    H    GLN  59           H        GLN  59   6.491  -2.902   3.452
  464    HA   GLN  59           HA       GLN  59   6.965  -1.354   5.891
  465   1HB   GLN  59          2HB       GLN  59   8.651  -2.535   3.674
  466   2HB   GLN  59          1HB       GLN  59   9.366  -1.598   4.986
  467   1HG   GLN  59          2HG       GLN  59   8.752  -3.170   6.616
  468   2HG   GLN  59          1HG       GLN  59   7.498  -3.876   5.598
  469   1HE2  GLN  59          1HE2      GLN  59  10.960  -3.186   4.867
  470   2HE2  GLN  59          2HE2      GLN  59  11.343  -4.787   4.452
  471    H    LYS  60           H        LYS  60   8.250  -0.791   2.597
  472    HA   LYS  60           HA       LYS  60   8.922   1.898   2.800
  473   1HB   LYS  60          2HB       LYS  60   9.274   0.275   0.898
  474   2HB   LYS  60          1HB       LYS  60   7.610   0.587   0.403
  475   1HG   LYS  60          2HG       LYS  60   8.232   3.066   0.369
  476   2HG   LYS  60          1HG       LYS  60   9.912   2.544   0.505
  477   1HD   LYS  60          2HD       LYS  60   9.570   1.115  -1.531
  478   2HD   LYS  60          1HD       LYS  60   7.963   1.823  -1.702
  479   1HE   LYS  60          2HE       LYS  60  10.364   3.631  -1.465
  480   2HE   LYS  60          1HE       LYS  60   9.945   2.907  -3.031
  481   1HZ   LYS  60          1HZ       LYS  60   8.084   4.423  -1.276
  482   2HZ   LYS  60          2HZ       LYS  60   7.683   3.714  -2.767
  483   3HZ   LYS  60          3HZ       LYS  60   8.780   5.011  -2.707
  484    H    ALA  61           H        ALA  61   5.678   0.565   2.509
  485    HA   ALA  61           HA       ALA  61   4.449   3.186   1.920
  486   1HB   ALA  61          1HB       ALA  61   3.062   0.633   2.736
  487   2HB   ALA  61          2HB       ALA  61   3.757   0.804   1.125
  488   3HB   ALA  61          3HB       ALA  61   2.479   1.898   1.655
  489    H    ALA  62           H        ALA  62   4.763   0.892   4.602
  490    HA   ALA  62           HA       ALA  62   3.032   2.138   6.492
  491   1HB   ALA  62          1HB       ALA  62   3.837  -0.027   6.976
  492   2HB   ALA  62          2HB       ALA  62   4.733   0.987   8.107
  493   3HB   ALA  62          3HB       ALA  62   5.506   0.419   6.627
  494    H    LYS  63           H        LYS  63   6.539   2.616   5.923
  495    HA   LYS  63           HA       LYS  63   6.908   4.624   7.955
  496   1HB   LYS  63          2HB       LYS  63   8.583   3.157   6.602
  497   2HB   LYS  63          1HB       LYS  63   8.464   4.418   5.375
  498   1HG   LYS  63          2HG       LYS  63   9.080   6.106   7.113
  499   2HG   LYS  63          1HG       LYS  63   9.321   4.787   8.259
  500   1HD   LYS  63          2HD       LYS  63  10.751   4.902   5.596
  501   2HD   LYS  63          1HD       LYS  63  11.421   5.618   7.062
  502   1HE   LYS  63          2HE       LYS  63  10.462   2.771   7.163
  503   2HE   LYS  63          1HE       LYS  63  12.043   3.126   6.439
  504   1HZ   LYS  63          1HZ       LYS  63  12.204   2.796   8.852
  505   2HZ   LYS  63          2HZ       LYS  63  11.128   4.088   9.100
  506   3HZ   LYS  63          3HZ       LYS  63  12.651   4.369   8.402
  507    H    LEU  64           H        LEU  64   6.684   4.971   4.394
  508    HA   LEU  64           HA       LEU  64   6.575   7.776   4.211
  509   1HB   LEU  64          2HB       LEU  64   5.408   5.493   2.626
  510   2HB   LEU  64          1HB       LEU  64   5.126   7.159   2.123
  511    HG   LEU  64           HG       LEU  64   7.888   6.057   2.679
  512   1HD1  LEU  64          1HD1      LEU  64   8.146   5.521   0.412
  513   2HD1  LEU  64          2HD1      LEU  64   6.770   6.511  -0.077
  514   3HD1  LEU  64          3HD1      LEU  64   6.502   4.972   0.741
  515   1HD2  LEU  64          1HD2      LEU  64   7.877   8.438   2.775
  516   2HD2  LEU  64          2HD2      LEU  64   6.769   8.563   1.408
  517   3HD2  LEU  64          3HD2      LEU  64   8.437   8.051   1.149
  518    H    LYS  65           H        LYS  65   4.014   5.491   5.040
  519    HA   LYS  65           HA       LYS  65   1.831   7.409   4.924
  520   1HB   LYS  65          2HB       LYS  65   1.600   4.937   4.728
  521   2HB   LYS  65          1HB       LYS  65   2.144   4.770   6.398
  522   1HG   LYS  65          2HG       LYS  65   0.181   6.478   6.875
  523   2HG   LYS  65          1HG       LYS  65  -0.446   5.854   5.348
  524   1HD   LYS  65          2HD       LYS  65  -0.508   3.614   6.180
  525   2HD   LYS  65          1HD       LYS  65   0.441   4.044   7.604
  526   1HE   LYS  65          2HE       LYS  65  -2.146   5.492   7.155
  527   2HE   LYS  65          1HE       LYS  65  -2.204   3.832   7.780
  528   1HZ   LYS  65          1HZ       LYS  65  -1.968   5.418   9.592
  529   2HZ   LYS  65          2HZ       LYS  65  -0.558   6.049   8.885
  530   3HZ   LYS  65          3HZ       LYS  65  -0.580   4.453   9.466
  531    H    GLU  66           H        GLU  66   3.598   5.862   7.617
  532    HA   GLU  66           HA       GLU  66   2.459   7.389   9.742
  533   1HB   GLU  66          2HB       GLU  66   3.834   5.270   9.854
  534   2HB   GLU  66          1HB       GLU  66   5.266   6.253   9.545
  535   1HG   GLU  66          2HG       GLU  66   4.903   7.531  11.571
  536   2HG   GLU  66          1HG       GLU  66   3.355   6.730  11.848
  537    H    LYS  67           H        LYS  67   5.188   8.056   7.587
  538    HA   LYS  67           HA       LYS  67   6.117  10.409   9.040
  539   1HB   LYS  67          2HB       LYS  67   7.302   8.768   7.371
  540   2HB   LYS  67          1HB       LYS  67   6.622   9.823   6.131
  541   1HG   LYS  67          2HG       LYS  67   7.698  11.773   7.191
  542   2HG   LYS  67          1HG       LYS  67   8.378  10.722   8.435
  543   1HD   LYS  67          2HD       LYS  67   8.882  10.208   5.505
  544   2HD   LYS  67          1HD       LYS  67   9.894  11.318   6.429
  545   1HE   LYS  67          2HE       LYS  67  10.248   9.439   8.109
  546   2HE   LYS  67          1HE       LYS  67   9.473   8.358   6.934
  547   1HZ   LYS  67          1HZ       LYS  67  11.803  10.118   6.379
  548   2HZ   LYS  67          2HZ       LYS  67  11.055   9.079   5.263
  549   3HZ   LYS  67          3HZ       LYS  67  11.879   8.439   6.604
  550    H    TYR  68           H        TYR  68   3.645   9.795   6.662
  551    HA   TYR  68           HA       TYR  68   3.445  12.435   5.490
  552   1HB   TYR  68          2HB       TYR  68   2.533  10.241   4.636
  553   2HB   TYR  68          1HB       TYR  68   1.328  10.298   5.914
  554    HD1  TYR  68           1HD      TYR  68  -0.734  11.258   5.445
  555    HD2  TYR  68           2HD      TYR  68   2.701  12.452   3.158
  556    HE1  TYR  68           1HE      TYR  68  -2.185  12.650   3.997
  557    HE2  TYR  68           2HE      TYR  68   1.251  13.850   1.712
  558    HH   TYR  68           HH       TYR  68  -0.840  14.774   1.509
  559    H    GLU  69           H        GLU  69   1.966  10.846   8.266
  560    HA   GLU  69           HA       GLU  69   0.021  12.802   8.979
  561   1HB   GLU  69          2HB       GLU  69   1.677  10.881  10.649
  562   2HB   GLU  69          1HB       GLU  69   0.235  11.713  11.231
  563   1HG   GLU  69          2HG       GLU  69  -0.918  10.694   9.127
  564   2HG   GLU  69          1HG       GLU  69   0.454   9.585   9.112
  565    H    LYS  70           H        LYS  70   3.500  12.634   9.626
  566    HA   LYS  70           HA       LYS  70   3.398  15.028  11.374
  567   1HB   LYS  70          2HB       LYS  70   5.573  13.139  10.409
  568   2HB   LYS  70          1HB       LYS  70   5.889  14.515  11.467
  569   1HG   LYS  70          2HG       LYS  70   3.810  12.437  12.158
  570   2HG   LYS  70          1HG       LYS  70   5.504  12.234  12.603
  571   1HD   LYS  70          2HD       LYS  70   5.472  14.317  13.861
  572   2HD   LYS  70          1HD       LYS  70   3.825  14.653  13.327
  573   1HE   LYS  70          2HE       LYS  70   2.905  12.957  14.672
  574   2HE   LYS  70          1HE       LYS  70   4.450  12.093  14.800
  575   1HZ   LYS  70          1HZ       LYS  70   4.000  13.354  16.819
  576   2HZ   LYS  70          2HZ       LYS  70   3.876  14.788  15.916
  577   3HZ   LYS  70          3HZ       LYS  70   5.362  13.972  16.019
  578    H    ASP  71           H        ASP  71   4.446  13.985   8.177
  579    HA   ASP  71           HA       ASP  71   5.850  16.343   7.345
  580   1HB   ASP  71          2HB       ASP  71   4.580  13.937   6.184
  581   2HB   ASP  71          1HB       ASP  71   4.669  15.300   5.083
  582    H    ILE  72           H        ILE  72   2.516  15.306   6.627
  583    HA   ILE  72           HA       ILE  72   1.571  17.679   5.423
  584    HB   ILE  72           HB       ILE  72   0.364  15.393   6.978
  585   1HG1  ILE  72          2HG1      ILE  72   1.231  15.025   4.707
  586   2HG1  ILE  72          1HG1      ILE  72  -0.514  14.803   4.775
  587   1HG2  ILE  72          1HG2      ILE  72  -1.088  17.838   5.959
  588   2HG2  ILE  72          2HG2      ILE  72  -1.291  16.993   7.495
  589   3HG2  ILE  72          3HG2      ILE  72  -1.891  16.267   6.003
  590   1HD1  ILE  72          1HD1      ILE  72   1.025  17.128   3.618
  591   2HD1  ILE  72          2HD1      ILE  72  -0.683  17.267   4.027
  592   3HD1  ILE  72          3HD1      ILE  72  -0.157  16.099   2.818
  593    H    ALA  73           H        ALA  73   1.405  16.757   8.890
  594    HA   ALA  73           HA       ALA  73   0.053  19.039   9.884
  595   1HB   ALA  73          1HB       ALA  73   0.518  17.070  11.226
  596   2HB   ALA  73          2HB       ALA  73   1.300  18.446  12.004
  597   3HB   ALA  73          3HB       ALA  73   2.257  17.309  11.053
  598    H    ALA  74           H        ALA  74   3.599  18.544   9.849
  599    HA   ALA  74           HA       ALA  74   4.361  21.160  10.630
  600   1HB   ALA  74          1HB       ALA  74   5.801  19.292   8.721
  601   2HB   ALA  74          2HB       ALA  74   5.768  19.071  10.471
  602   3HB   ALA  74          3HB       ALA  74   6.539  20.497   9.775
  603    H    TYR  75           H        TYR  75   3.482  19.874   7.464
  604    HA   TYR  75           HA       TYR  75   4.271  22.328   6.042
  605   1HB   TYR  75          2HB       TYR  75   4.204  19.769   5.327
  606   2HB   TYR  75          1HB       TYR  75   2.540  20.163   4.897
  607    HD1  TYR  75           1HD      TYR  75   6.061  21.349   4.439
  608    HD2  TYR  75           2HD      TYR  75   2.065  21.245   2.864
  609    HE1  TYR  75           1HE      TYR  75   6.853  22.436   2.355
  610    HE2  TYR  75           2HE      TYR  75   2.858  22.332   0.781
  611    HH   TYR  75           HH       TYR  75   6.204  22.685   0.051
  612    H    ARG  76           H        ARG  76   1.468  21.168   7.738
  613    HA   ARG  76           HA       ARG  76  -0.542  22.601   6.203
  614   1HB   ARG  76          2HB       ARG  76  -0.455  20.661   8.170
  615   2HB   ARG  76          1HB       ARG  76  -1.070  22.055   9.050
  616   1HG   ARG  76          2HG       ARG  76  -2.211  21.200   6.385
  617   2HG   ARG  76          1HG       ARG  76  -2.825  20.577   7.917
  618   1HD   ARG  76          2HD       ARG  76  -3.082  23.039   8.633
  619   2HD   ARG  76          1HD       ARG  76  -2.866  23.433   6.916
  620    HE   ARG  76           HE       ARG  76  -5.015  21.608   7.932
  621   1HH1  ARG  76          1HH1      ARG  76  -5.604  24.484   7.161
  622   2HH1  ARG  76          2HH1      ARG  76  -6.185  24.292   5.541
  623   1HH2  ARG  76          1HH2      ARG  76  -4.942  21.074   5.194
  624   2HH2  ARG  76          2HH2      ARG  76  -5.811  22.362   4.427
  625    H    ALA  77           H        ALA  77   1.923  23.770   8.227
  626    HA   ALA  77           HA       ALA  77   0.319  26.225   8.861
  627   1HB   ALA  77          1HB       ALA  77   2.532  24.819  10.391
  628   2HB   ALA  77          2HB       ALA  77   0.835  24.929  10.859
  629   3HB   ALA  77          3HB       ALA  77   1.845  26.375  10.856
  630    H    LYS  78           H        LYS  78   1.111  27.066   6.751
  631    HA   LYS  78           HA       LYS  78   3.743  28.387   7.040
  632   1HB   LYS  78          2HB       LYS  78   3.049  26.204   5.100
  633   2HB   LYS  78          1HB       LYS  78   4.167  27.470   4.591
  634   1HG   LYS  78          2HG       LYS  78   5.335  26.977   6.892
  635   2HG   LYS  78          1HG       LYS  78   4.482  25.437   6.779
  636   1HD   LYS  78          2HD       LYS  78   5.638  24.783   4.860
  637   2HD   LYS  78          1HD       LYS  78   6.030  26.442   4.410
  638   1HE   LYS  78          2HE       LYS  78   7.138  25.303   6.971
  639   2HE   LYS  78          1HE       LYS  78   7.930  24.944   5.423
  640   1HZ   LYS  78          1HZ       LYS  78   8.797  26.995   6.370
  641   2HZ   LYS  78          2HZ       LYS  78   7.233  27.654   6.428
  642   3HZ   LYS  78          3HZ       LYS  78   7.960  27.314   4.930
  Start of MODEL   14
    1   1H    MET   1          1HT       MET   1 -10.952  21.695   2.494
    2   2H    MET   1          2HT       MET   1 -10.351  20.926   1.103
    3   3H    MET   1          3HT       MET   1 -10.374  20.103   2.589
    4    HA   MET   1           HA       MET   1 -12.832  20.209   2.585
    5   1HB   MET   1          2HB       MET   1 -12.542  22.297   1.034
    6   2HB   MET   1          1HB       MET   1 -12.514  21.112  -0.273
    7   1HG   MET   1          2HG       MET   1 -14.698  20.311   0.281
    8   2HG   MET   1          1HG       MET   1 -14.701  21.181   1.815
    9   1HE   MET   1          1HE       MET   1 -16.366  21.092  -1.339
   10   2HE   MET   1          2HE       MET   1 -14.747  21.321  -1.995
   11   3HE   MET   1          3HE       MET   1 -15.979  22.551  -2.260
   12    H    LYS   2           H        LYS   2 -10.808  19.568  -0.303
   13    HA   LYS   2           HA       LYS   2 -11.472  16.672  -0.080
   14   1HB   LYS   2          2HB       LYS   2 -12.135  18.582  -2.312
   15   2HB   LYS   2          1HB       LYS   2 -11.852  16.879  -2.674
   16   1HG   LYS   2          2HG       LYS   2 -13.539  16.378  -0.794
   17   2HG   LYS   2          1HG       LYS   2 -13.983  18.081  -0.905
   18   1HD   LYS   2          2HD       LYS   2 -14.752  17.861  -3.125
   19   2HD   LYS   2          1HD       LYS   2 -13.889  16.342  -3.366
   20   1HE   LYS   2          2HE       LYS   2 -15.418  15.418  -1.469
   21   2HE   LYS   2          1HE       LYS   2 -16.434  16.831  -1.817
   22   1HZ   LYS   2          1HZ       LYS   2 -16.435  16.221  -4.152
   23   2HZ   LYS   2          2HZ       LYS   2 -17.042  14.939  -3.217
   24   3HZ   LYS   2          3HZ       LYS   2 -15.460  14.871  -3.830
   25    H    LYS   3           H        LYS   3  -9.041  17.346   0.646
   26    HA   LYS   3           HA       LYS   3  -6.733  17.166   0.183
   27   1HB   LYS   3          2HB       LYS   3  -8.257  15.270  -1.405
   28   2HB   LYS   3          1HB       LYS   3  -6.783  15.730  -2.255
   29   1HG   LYS   3          2HG       LYS   3  -6.111  13.909  -0.910
   30   2HG   LYS   3          1HG       LYS   3  -5.590  15.323   0.008
   31   1HD   LYS   3          2HD       LYS   3  -8.347  14.285   0.504
   32   2HD   LYS   3          1HD       LYS   3  -6.993  13.361   1.155
   33   1HE   LYS   3          2HE       LYS   3  -6.132  15.582   2.122
   34   2HE   LYS   3          1HE       LYS   3  -7.741  16.234   1.749
   35   1HZ   LYS   3          1HZ       LYS   3  -7.583  15.232   4.000
   36   2HZ   LYS   3          2HZ       LYS   3  -7.268  13.728   3.274
   37   3HZ   LYS   3          3HZ       LYS   3  -8.758  14.501   3.018
   38    H    ASP   4           H        ASP   4  -6.167  19.315  -0.319
   39    HA   ASP   4           HA       ASP   4  -6.686  20.485  -2.951
   40   1HB   ASP   4          2HB       ASP   4  -5.378  21.222  -0.366
   41   2HB   ASP   4          1HB       ASP   4  -4.928  22.151  -1.797
   42    HA   PRO   5           HA       PRO   5  -2.966  19.272  -4.975
   43   1HB   PRO   5          2HB       PRO   5  -2.111  21.549  -6.228
   44   2HB   PRO   5          1HB       PRO   5  -3.531  20.627  -6.762
   45   1HG   PRO   5          2HG       PRO   5  -3.392  23.132  -5.165
   46   2HG   PRO   5          1HG       PRO   5  -4.542  22.658  -6.424
   47   1HD   PRO   5          2HD       PRO   5  -5.092  22.551  -3.751
   48   2HD   PRO   5          1HD       PRO   5  -5.867  21.506  -4.962
   49    H    ASN   6           H        ASN   6  -2.709  22.229  -3.040
   50    HA   ASN   6           HA       ASN   6   0.186  22.232  -2.838
   51   1HB   ASN   6          2HB       ASN   6  -2.110  23.504  -1.335
   52   2HB   ASN   6          1HB       ASN   6  -0.431  23.789  -0.872
   53   1HD2  ASN   6          1HD2      ASN   6  -2.914  24.886  -2.933
   54   2HD2  ASN   6          2HD2      ASN   6  -1.958  25.807  -3.990
   55    H    ALA   7           H        ALA   7  -2.450  20.900  -0.865
   56    HA   ALA   7           HA       ALA   7  -0.623  19.933   1.235
   57   1HB   ALA   7          1HB       ALA   7  -3.179  20.748   1.217
   58   2HB   ALA   7          2HB       ALA   7  -2.595  19.564   2.386
   59   3HB   ALA   7          3HB       ALA   7  -3.455  19.027   0.943
   60    HA   PRO   8           HA       PRO   8  -0.080  15.959  -0.530
   61   1HB   PRO   8          2HB       PRO   8   0.306  14.423   1.675
   62   2HB   PRO   8          1HB       PRO   8   1.516  15.521   0.990
   63   1HG   PRO   8          2HG       PRO   8  -0.053  15.792   3.422
   64   2HG   PRO   8          1HG       PRO   8   1.422  16.585   2.891
   65   1HD   PRO   8          2HD       PRO   8  -1.200  17.679   2.889
   66   2HD   PRO   8          1HD       PRO   8   0.308  18.434   2.335
   67    H    LYS   9           H        LYS   9  -0.942  13.588  -0.366
   68    HA   LYS   9           HA       LYS   9  -3.850  13.676   0.374
   69   1HB   LYS   9          2HB       LYS   9  -2.340  12.164  -1.783
   70   2HB   LYS   9          1HB       LYS   9  -4.074  12.028  -1.490
   71   1HG   LYS   9          2HG       LYS   9  -4.471  14.277  -2.130
   72   2HG   LYS   9          1HG       LYS   9  -2.763  14.697  -2.012
   73   1HD   LYS   9          2HD       LYS   9  -2.297  13.115  -3.899
   74   2HD   LYS   9          1HD       LYS   9  -4.035  12.869  -4.068
   75   1HE   LYS   9          2HE       LYS   9  -3.630  14.582  -5.632
   76   2HE   LYS   9          1HE       LYS   9  -4.097  15.512  -4.195
   77   1HZ   LYS   9          1HZ       LYS   9  -1.311  14.764  -4.914
   78   2HZ   LYS   9          2HZ       LYS   9  -1.785  15.692  -3.571
   79   3HZ   LYS   9          3HZ       LYS   9  -1.990  16.301  -5.143
   80    H    ARG  10           H        ARG  10  -4.647  11.238   0.599
   81    HA   ARG  10           HA       ARG  10  -3.546  10.111   2.941
   82   1HB   ARG  10          2HB       ARG  10  -4.958   8.156   2.316
   83   2HB   ARG  10          1HB       ARG  10  -5.804   9.684   2.074
   84   1HG   ARG  10          2HG       ARG  10  -4.582   9.352  -0.362
   85   2HG   ARG  10          1HG       ARG  10  -4.929   7.682   0.087
   86   1HD   ARG  10          2HD       ARG  10  -7.029   9.864   0.265
   87   2HD   ARG  10          1HD       ARG  10  -6.798   8.875  -1.190
   88    HE   ARG  10           HE       ARG  10  -7.037   7.380   1.344
   89   1HH1  ARG  10          1HH2      ARG  10  -9.551   8.986   0.416
   90   2HH1  ARG  10          2HH2      ARG  10 -10.423   7.727  -0.393
   91   1HH2  ARG  10          1HH1      ARG  10  -7.706   5.576  -0.537
   92   2HH2  ARG  10          2HH1      ARG  10  -9.378   5.796  -0.933
   93    HA   PRO  11           HA       PRO  11   0.054   8.096   1.241
   94   1HB   PRO  11          2HB       PRO  11   0.744   6.591   3.417
   95   2HB   PRO  11          1HB       PRO  11   1.037   8.339   3.323
   96   1HG   PRO  11          2HG       PRO  11  -1.089   6.849   4.760
   97   2HG   PRO  11          1HG       PRO  11  -0.231   8.326   5.223
   98   1HD   PRO  11          2HD       PRO  11  -2.776   8.265   4.187
   99   2HD   PRO  11          1HD       PRO  11  -1.691   9.668   4.108
  100    HA   PRO  12           HA       PRO  12  -1.206   4.059  -0.020
  101   1HB   PRO  12          2HB       PRO  12   1.046   2.508   0.205
  102   2HB   PRO  12          1HB       PRO  12   0.834   3.729  -1.065
  103   1HG   PRO  12          2HG       PRO  12   2.352   3.907   1.493
  104   2HG   PRO  12          1HG       PRO  12   2.784   4.502  -0.117
  105   1HD   PRO  12          2HD       PRO  12   1.822   6.117   1.827
  106   2HD   PRO  12          1HD       PRO  12   1.517   6.408   0.100
  107    H    SER  13           H        SER  13  -0.497   1.492   0.892
  108    HA   SER  13           HA       SER  13  -0.441   1.232   3.766
  109   1HB   SER  13          2HB       SER  13  -2.902   0.534   3.934
  110   2HB   SER  13          1HB       SER  13  -2.604   2.257   3.723
  111    HG   SER  13           HG       SER  13  -4.226   1.292   2.304
  112    H    ALA  14           H        ALA  14   0.977  -0.204   1.864
  113    HA   ALA  14           HA       ALA  14   1.563  -2.423   1.408
  114   1HB   ALA  14          1HB       ALA  14   0.839  -3.957   2.928
  115   2HB   ALA  14          2HB       ALA  14  -0.857  -3.665   2.540
  116   3HB   ALA  14          3HB       ALA  14  -0.018  -2.607   3.675
  117    H    PHE  15           H        PHE  15  -2.029  -2.578   1.341
  118    HA   PHE  15           HA       PHE  15  -2.140  -3.922  -1.175
  119   1HB   PHE  15          2HB       PHE  15  -3.953  -3.825   0.509
  120   2HB   PHE  15          1HB       PHE  15  -4.148  -2.101   0.201
  121    HD1  PHE  15           1HD      PHE  15  -3.692  -5.085  -2.043
  122    HD2  PHE  15           2HD      PHE  15  -6.116  -1.699  -0.984
  123    HE1  PHE  15           1HE      PHE  15  -5.217  -5.586  -3.932
  124    HE2  PHE  15           2HE      PHE  15  -7.641  -2.201  -2.874
  125    HZ   PHE  15           HZ       PHE  15  -7.191  -4.145  -4.349
  126    H    PHE  16           H        PHE  16  -1.776  -0.522  -0.377
  127    HA   PHE  16           HA       PHE  16  -2.616   0.524  -2.948
  128   1HB   PHE  16          2HB       PHE  16  -2.317   1.615  -0.564
  129   2HB   PHE  16          1HB       PHE  16  -0.657   1.875  -1.105
  130    HD1  PHE  16           1HD      PHE  16  -0.224   3.179  -3.211
  131    HD2  PHE  16           2HD      PHE  16  -4.123   2.920  -1.429
  132    HE1  PHE  16           1HE      PHE  16  -0.961   5.142  -4.537
  133    HE2  PHE  16           2HE      PHE  16  -4.860   4.881  -2.754
  134    HZ   PHE  16           HZ       PHE  16  -3.279   5.993  -4.308
  135    H    LEU  17           H        LEU  17   0.449  -0.636  -1.624
  136    HA   LEU  17           HA       LEU  17   2.154   0.370  -3.739
  137   1HB   LEU  17          2HB       LEU  17   2.246  -1.733  -1.595
  138   2HB   LEU  17          1HB       LEU  17   3.467  -1.797  -2.864
  139    HG   LEU  17           HG       LEU  17   4.263  -0.486  -0.927
  140   1HD1  LEU  17          1HD1      LEU  17   3.703   1.485  -3.135
  141   2HD1  LEU  17          2HD1      LEU  17   4.772   0.108  -3.404
  142   3HD1  LEU  17          3HD1      LEU  17   5.163   1.299  -2.165
  143   1HD2  LEU  17          1HD2      LEU  17   3.176   1.569  -0.260
  144   2HD2  LEU  17          2HD2      LEU  17   1.956   0.296  -0.252
  145   3HD2  LEU  17          3HD2      LEU  17   2.021   1.447  -1.587
  146    H    PHE  18           H        PHE  18   1.407  -3.034  -3.149
  147    HA   PHE  18           HA       PHE  18   1.805  -4.282  -5.536
  148   1HB   PHE  18          2HB       PHE  18   0.933  -5.400  -3.573
  149   2HB   PHE  18          1HB       PHE  18  -0.585  -4.510  -3.678
  150    HD1  PHE  18           1HD      PHE  18  -2.314  -5.152  -5.241
  151    HD2  PHE  18           2HD      PHE  18   1.474  -7.178  -5.217
  152    HE1  PHE  18           1HE      PHE  18  -3.262  -6.940  -6.674
  153    HE2  PHE  18           2HE      PHE  18   0.526  -8.966  -6.652
  154    HZ   PHE  18           HZ       PHE  18  -1.844  -8.848  -7.378
  155    H    CYS  19           H        CYS  19  -1.380  -2.665  -4.862
  156    HA   CYS  19           HA       CYS  19  -2.363  -2.944  -7.530
  157   1HB   CYS  19          2HB       CYS  19  -3.708  -2.460  -5.499
  158   2HB   CYS  19          1HB       CYS  19  -2.964  -0.867  -5.398
  159    HG   CYS  19           HG       CYS  19  -5.355  -1.425  -7.025
  160    H    SER  20           H        SER  20  -0.622  -0.268  -5.940
  161    HA   SER  20           HA       SER  20  -0.731   1.631  -8.048
  162   1HB   SER  20          2HB       SER  20   1.160   1.035  -5.788
  163   2HB   SER  20          1HB       SER  20   1.544   2.316  -6.930
  164    HG   SER  20           HG       SER  20  -0.254   3.397  -6.331
  165    H    GLU  21           H        GLU  21   1.366  -1.201  -7.651
  166    HA   GLU  21           HA       GLU  21   3.032  -0.382  -9.957
  167   1HB   GLU  21          2HB       GLU  21   4.322  -2.402  -9.338
  168   2HB   GLU  21          1HB       GLU  21   4.054  -1.358  -7.944
  169   1HG   GLU  21          2HG       GLU  21   2.411  -2.789  -7.039
  170   2HG   GLU  21          1HG       GLU  21   2.171  -3.628  -8.571
  171    H    HIS  22           H        HIS  22   0.350  -2.578  -9.250
  172    HA   HIS  22           HA       HIS  22   0.660  -3.887 -11.911
  173   1HB   HIS  22          2HB       HIS  22  -0.995  -4.391  -9.425
  174   2HB   HIS  22          1HB       HIS  22  -1.211  -5.313 -10.912
  175    HD1  HIS  22           1HD      HIS  22   1.232  -6.338 -11.848
  176    HD2  HIS  22           2HD      HIS  22   0.871  -5.547  -7.773
  177    HE1  HIS  22           1HE      HIS  22   3.039  -7.685 -10.695
  178    H    ARG  23           H        ARG  23  -0.494  -1.027 -11.165
  179    HA   ARG  23           HA       ARG  23  -3.286  -1.229 -12.006
  180   1HB   ARG  23          2HB       ARG  23  -2.479   0.396 -10.339
  181   2HB   ARG  23          1HB       ARG  23  -1.452   1.144 -11.556
  182   1HG   ARG  23          2HG       ARG  23  -3.316   1.915 -12.815
  183   2HG   ARG  23          1HG       ARG  23  -4.433   0.866 -11.942
  184   1HD   ARG  23          2HD       ARG  23  -4.721   3.103 -11.055
  185   2HD   ARG  23          1HD       ARG  23  -3.821   2.183  -9.833
  186    HE   ARG  23           HE       ARG  23  -1.793   3.315 -10.523
  187   1HH1  ARG  23          1HH2      ARG  23  -3.669   5.651 -10.293
  188   2HH1  ARG  23          2HH2      ARG  23  -3.400   6.475 -11.793
  189   1HH2  ARG  23          1HH1      ARG  23  -1.852   3.768 -13.308
  190   2HH2  ARG  23          2HH1      ARG  23  -2.372   5.409 -13.500
  191    HA   PRO  24           HA       PRO  24  -1.585   0.812 -15.969
  192   1HB   PRO  24          2HB       PRO  24   1.088   0.666 -16.512
  193   2HB   PRO  24          1HB       PRO  24   0.352   2.016 -15.625
  194   1HG   PRO  24          2HG       PRO  24   1.899  -0.298 -14.603
  195   2HG   PRO  24          1HG       PRO  24   1.856   1.377 -14.034
  196   1HD   PRO  24          2HD       PRO  24   0.544  -0.716 -12.836
  197   2HD   PRO  24          1HD       PRO  24   0.093   0.991 -12.664
  198    H    LYS  25           H        LYS  25  -0.709  -2.238 -14.709
  199    HA   LYS  25           HA       LYS  25   0.019  -3.454 -17.298
  200   1HB   LYS  25          2HB       LYS  25   1.017  -4.027 -15.045
  201   2HB   LYS  25          1HB       LYS  25  -0.545  -4.711 -14.596
  202   1HG   LYS  25          2HG       LYS  25  -0.410  -6.251 -16.539
  203   2HG   LYS  25          1HG       LYS  25   1.182  -5.596 -16.926
  204   1HD   LYS  25          2HD       LYS  25   1.837  -6.226 -14.517
  205   2HD   LYS  25          1HD       LYS  25   0.362  -7.194 -14.500
  206   1HE   LYS  25          2HE       LYS  25   2.343  -7.482 -16.760
  207   2HE   LYS  25          1HE       LYS  25   2.562  -8.373 -15.241
  208   1HZ   LYS  25          1HZ       LYS  25   1.197  -9.651 -16.766
  209   2HZ   LYS  25          2HZ       LYS  25   0.108  -8.357 -16.921
  210   3HZ   LYS  25          3HZ       LYS  25   0.271  -9.160 -15.432
  211    H    ILE  26           H        ILE  26  -2.716  -3.408 -15.025
  212    HA   ILE  26           HA       ILE  26  -4.299  -5.367 -16.485
  213    HB   ILE  26           HB       ILE  26  -5.024  -3.263 -14.418
  214   1HG1  ILE  26          2HG1      ILE  26  -3.284  -4.836 -13.647
  215   2HG1  ILE  26          1HG1      ILE  26  -4.802  -5.126 -12.805
  216   1HG2  ILE  26          1HG2      ILE  26  -7.120  -3.900 -15.098
  217   2HG2  ILE  26          2HG2      ILE  26  -6.792  -5.260 -14.024
  218   3HG2  ILE  26          3HG2      ILE  26  -6.554  -5.432 -15.763
  219   1HD1  ILE  26          1HD1      ILE  26  -5.296  -6.938 -14.496
  220   2HD1  ILE  26          2HD1      ILE  26  -3.913  -7.275 -13.455
  221   3HD1  ILE  26          3HD1      ILE  26  -3.655  -6.724 -15.109
  222    H    LYS  27           H        LYS  27  -3.766  -1.929 -16.779
  223    HA   LYS  27           HA       LYS  27  -6.227  -1.346 -18.259
  224   1HB   LYS  27          2HB       LYS  27  -3.600   0.093 -17.780
  225   2HB   LYS  27          1HB       LYS  27  -4.948   0.811 -18.662
  226   1HG   LYS  27          2HG       LYS  27  -6.402   0.356 -16.651
  227   2HG   LYS  27          1HG       LYS  27  -4.945  -0.124 -15.781
  228   1HD   LYS  27          2HD       LYS  27  -5.303   2.183 -15.251
  229   2HD   LYS  27          1HD       LYS  27  -3.974   2.148 -16.410
  230   1HE   LYS  27          2HE       LYS  27  -5.395   2.836 -18.212
  231   2HE   LYS  27          1HE       LYS  27  -6.860   2.544 -17.254
  232   1HZ   LYS  27          1HZ       LYS  27  -4.730   4.502 -16.575
  233   2HZ   LYS  27          2HZ       LYS  27  -6.150   4.224 -15.685
  234   3HZ   LYS  27          3HZ       LYS  27  -6.238   4.898 -17.242
  235    H    SER  28           H        SER  28  -3.077  -2.628 -19.053
  236    HA   SER  28           HA       SER  28  -3.066  -1.841 -21.862
  237   1HB   SER  28          2HB       SER  28  -1.599  -3.983 -20.286
  238   2HB   SER  28          1HB       SER  28  -1.189  -3.491 -21.926
  239    HG   SER  28           HG       SER  28  -0.020  -2.443 -20.129
  240    H    GLU  29           H        GLU  29  -3.768  -4.878 -20.117
  241    HA   GLU  29           HA       GLU  29  -4.755  -6.197 -22.564
  242   1HB   GLU  29          2HB       GLU  29  -4.565  -6.949 -19.634
  243   2HB   GLU  29          1HB       GLU  29  -5.165  -8.046 -20.879
  244   1HG   GLU  29          2HG       GLU  29  -2.475  -6.686 -21.104
  245   2HG   GLU  29          1HG       GLU  29  -2.674  -8.240 -20.295
  246    H    HIS  30           H        HIS  30  -6.124  -3.860 -20.741
  247    HA   HIS  30           HA       HIS  30  -8.866  -4.705 -21.407
  248   1HB   HIS  30          2HB       HIS  30  -8.002  -4.103 -18.554
  249   2HB   HIS  30          1HB       HIS  30  -9.655  -4.384 -19.080
  250    HD1  HIS  30           1HD      HIS  30 -10.380  -6.801 -19.539
  251    HD2  HIS  30           2HD      HIS  30  -6.351  -6.451 -18.555
  252    HE1  HIS  30           1HE      HIS  30  -9.548  -9.152 -19.093
  253    HA   PRO  31           HA       PRO  31  -7.923  -0.208 -21.865
  254   1HB   PRO  31          2HB       PRO  31  -9.401   0.104 -24.160
  255   2HB   PRO  31          1HB       PRO  31  -7.707  -0.426 -24.162
  256   1HG   PRO  31          2HG       PRO  31 -10.197  -2.060 -24.372
  257   2HG   PRO  31          1HG       PRO  31  -8.679  -2.202 -25.275
  258   1HD   PRO  31          2HD       PRO  31  -9.271  -3.838 -23.210
  259   2HD   PRO  31          1HD       PRO  31  -7.607  -3.319 -23.559
  260    H    GLY  32           H        GLY  32  -9.203   1.151 -20.677
  261   1HA   GLY  32          2HA       GLY  32 -11.271   2.320 -20.224
  262   2HA   GLY  32          1HA       GLY  32 -12.158   0.974 -20.941
  263    H    LEU  33           H        LEU  33 -10.309  -0.893 -19.326
  264    HA   LEU  33           HA       LEU  33 -11.997  -1.633 -17.237
  265   1HB   LEU  33          2HB       LEU  33  -9.797  -2.611 -18.285
  266   2HB   LEU  33          1HB       LEU  33  -9.002  -1.769 -16.964
  267    HG   LEU  33           HG       LEU  33  -9.494  -4.115 -16.378
  268   1HD1  LEU  33          1HD1      LEU  33 -11.338  -2.306 -14.816
  269   2HD1  LEU  33          2HD1      LEU  33  -9.581  -2.202 -14.695
  270   3HD1  LEU  33          3HD1      LEU  33 -10.410  -3.686 -14.232
  271   1HD2  LEU  33          1HD2      LEU  33 -11.668  -4.028 -17.854
  272   2HD2  LEU  33          2HD2      LEU  33 -12.430  -3.467 -16.366
  273   3HD2  LEU  33          3HD2      LEU  33 -11.640  -5.043 -16.412
  274    H    SER  34           H        SER  34 -12.799  -0.043 -15.876
  275    HA   SER  34           HA       SER  34 -11.445   2.192 -14.777
  276   1HB   SER  34          2HB       SER  34 -13.262   1.880 -12.961
  277   2HB   SER  34          1HB       SER  34 -13.811   2.054 -14.626
  278    HG   SER  34           HG       SER  34 -14.834   0.286 -13.713
  279    H    ILE  35           H        ILE  35 -11.379   2.199 -12.102
  280    HA   ILE  35           HA       ILE  35  -9.184   0.315 -11.445
  281    HB   ILE  35           HB       ILE  35 -10.387   2.679  -9.967
  282   1HG1  ILE  35          2HG1      ILE  35  -9.443   3.330 -12.154
  283   2HG1  ILE  35          1HG1      ILE  35  -8.436   3.931 -10.839
  284   1HG2  ILE  35          1HG2      ILE  35  -7.959   2.598  -8.972
  285   2HG2  ILE  35          2HG2      ILE  35  -8.006   0.912  -9.486
  286   3HG2  ILE  35          3HG2      ILE  35  -9.197   1.515  -8.333
  287   1HD1  ILE  35          1HD1      ILE  35  -7.020   2.962 -12.588
  288   2HD1  ILE  35          2HD1      ILE  35  -7.912   1.443 -12.497
  289   3HD1  ILE  35          3HD1      ILE  35  -6.927   1.970 -11.133
  290    H    GLY  36           H        GLY  36 -12.298  -0.274 -11.446
  291   1HA   GLY  36          2HA       GLY  36 -12.546  -1.171  -8.619
  292   2HA   GLY  36          1HA       GLY  36 -13.878  -1.056  -9.771
  293    H    ASP  37           H        ASP  37 -13.058  -2.435 -11.931
  294    HA   ASP  37           HA       ASP  37 -13.347  -5.181 -11.179
  295   1HB   ASP  37          2HB       ASP  37 -12.333  -3.870 -13.718
  296   2HB   ASP  37          1HB       ASP  37 -12.846  -5.550 -13.597
  297    H    THR  38           H        THR  38 -10.444  -3.376 -12.302
  298    HA   THR  38           HA       THR  38  -8.655  -5.622 -12.091
  299    HB   THR  38           HB       THR  38  -8.201  -3.611 -13.434
  300    HG1  THR  38           1HG      THR  38  -6.064  -3.259 -12.649
  301   1HG2  THR  38          1HG2      THR  38  -9.183  -1.864 -12.116
  302   2HG2  THR  38          2HG2      THR  38  -7.454  -1.528 -12.205
  303   3HG2  THR  38          3HG2      THR  38  -8.141  -2.235 -10.743
  304    H    ALA  39           H        ALA  39  -9.817  -3.224  -9.800
  305    HA   ALA  39           HA       ALA  39  -7.911  -3.708  -7.689
  306   1HB   ALA  39          1HB       ALA  39  -9.244  -1.744  -7.579
  307   2HB   ALA  39          2HB       ALA  39  -9.922  -2.780  -6.324
  308   3HB   ALA  39          3HB       ALA  39 -10.733  -2.638  -7.884
  309    H    LYS  40           H        LYS  40 -10.809  -5.342  -8.798
  310    HA   LYS  40           HA       LYS  40 -11.130  -7.037  -6.433
  311   1HB   LYS  40          2HB       LYS  40 -12.241  -6.969  -9.252
  312   2HB   LYS  40          1HB       LYS  40 -12.704  -8.216  -8.093
  313   1HG   LYS  40          2HG       LYS  40 -13.483  -6.492  -6.522
  314   2HG   LYS  40          1HG       LYS  40 -12.994  -5.230  -7.651
  315   1HD   LYS  40          2HD       LYS  40 -15.148  -5.375  -8.378
  316   2HD   LYS  40          1HD       LYS  40 -14.558  -6.778  -9.269
  317   1HE   LYS  40          2HE       LYS  40 -15.363  -7.262  -6.438
  318   2HE   LYS  40          1HE       LYS  40 -16.668  -6.944  -7.599
  319   1HZ   LYS  40          1HZ       LYS  40 -15.541  -8.565  -9.105
  320   2HZ   LYS  40          2HZ       LYS  40 -16.200  -9.258  -7.701
  321   3HZ   LYS  40          3HZ       LYS  40 -14.526  -8.988  -7.814
  322    H    LYS  41           H        LYS  41  -9.530  -7.229  -9.580
  323    HA   LYS  41           HA       LYS  41  -8.810 -10.070  -9.269
  324   1HB   LYS  41          2HB       LYS  41  -9.265  -8.478 -11.382
  325   2HB   LYS  41          1HB       LYS  41  -7.522  -8.234 -11.245
  326   1HG   LYS  41          2HG       LYS  41  -7.128 -10.634 -11.378
  327   2HG   LYS  41          1HG       LYS  41  -8.863 -10.949 -11.377
  328   1HD   LYS  41          2HD       LYS  41  -8.324 -11.048 -13.660
  329   2HD   LYS  41          1HD       LYS  41  -8.907  -9.395 -13.470
  330   1HE   LYS  41          2HE       LYS  41  -6.407  -8.803 -13.003
  331   2HE   LYS  41          1HE       LYS  41  -6.068 -10.360 -13.784
  332   1HZ   LYS  41          1HZ       LYS  41  -7.740  -8.177 -14.913
  333   2HZ   LYS  41          2HZ       LYS  41  -7.462  -9.685 -15.647
  334   3HZ   LYS  41          3HZ       LYS  41  -6.179  -8.592 -15.430
  335    H    LEU  42           H        LEU  42  -7.468  -6.956  -8.478
  336    HA   LEU  42           HA       LEU  42  -4.677  -7.831  -8.259
  337   1HB   LEU  42          2HB       LEU  42  -6.331  -5.411  -7.942
  338   2HB   LEU  42          1HB       LEU  42  -4.994  -5.503  -6.798
  339    HG   LEU  42           HG       LEU  42  -3.438  -5.919  -8.695
  340   1HD1  LEU  42          1HD1      LEU  42  -5.408  -6.799 -10.157
  341   2HD1  LEU  42          2HD1      LEU  42  -4.144  -5.851 -10.942
  342   3HD1  LEU  42          3HD1      LEU  42  -5.683  -5.097 -10.530
  343   1HD2  LEU  42          1HD2      LEU  42  -5.004  -3.441  -9.344
  344   2HD2  LEU  42          2HD2      LEU  42  -3.256  -3.657  -9.235
  345   3HD2  LEU  42          3HD2      LEU  42  -4.232  -3.597  -7.767
  346    H    GLY  43           H        GLY  43  -7.120  -6.733  -5.884
  347   1HA   GLY  43          2HA       GLY  43  -5.801  -7.448  -3.513
  348   2HA   GLY  43          1HA       GLY  43  -7.557  -7.448  -3.680
  349    H    GLU  44           H        GLU  44  -7.340  -9.530  -5.865
  350    HA   GLU  44           HA       GLU  44  -7.558 -11.892  -4.188
  351   1HB   GLU  44          2HB       GLU  44  -8.735 -11.344  -6.401
  352   2HB   GLU  44          1HB       GLU  44  -7.209 -11.730  -7.198
  353   1HG   GLU  44          2HG       GLU  44  -7.268 -13.971  -6.026
  354   2HG   GLU  44          1HG       GLU  44  -8.905 -13.575  -5.499
  355    H    MET  45           H        MET  45  -5.127 -10.605  -6.460
  356    HA   MET  45           HA       MET  45  -3.278 -12.838  -6.083
  357   1HB   MET  45          2HB       MET  45  -3.427 -10.231  -7.532
  358   2HB   MET  45          1HB       MET  45  -1.818 -10.886  -7.232
  359   1HG   MET  45          2HG       MET  45  -2.573 -13.055  -8.236
  360   2HG   MET  45          1HG       MET  45  -4.103 -12.281  -8.654
  361   1HE   MET  45          1HE       MET  45  -4.604 -11.570 -10.612
  362   2HE   MET  45          2HE       MET  45  -3.658 -10.685 -11.806
  363   3HE   MET  45          3HE       MET  45  -4.107  -9.902 -10.294
  364    H    TRP  46           H        TRP  46  -3.613  -9.508  -4.857
  365    HA   TRP  46           HA       TRP  46  -1.162  -9.246  -3.444
  366   1HB   TRP  46          2HB       TRP  46  -2.742  -7.425  -3.794
  367   2HB   TRP  46          1HB       TRP  46  -3.976  -8.247  -2.847
  368    HD1  TRP  46           HD       TRP  46  -4.174  -7.173  -0.544
  369    HE1  TRP  46           1HE      TRP  46  -2.535  -6.165   1.173
  370    HE3  TRP  46           3HE      TRP  46   0.200  -7.709  -3.100
  371    HZ2  TRP  46           2HZ      TRP  46   0.274  -5.655   1.423
  372    HZ3  TRP  46           3HZ      TRP  46   2.344  -6.956  -2.108
  373    HH2  TRP  46           HH       TRP  46   2.385  -5.936   0.144
  374    H    SER  47           H        SER  47  -4.303 -10.530  -2.266
  375    HA   SER  47           HA       SER  47  -3.334 -11.329   0.324
  376   1HB   SER  47          2HB       SER  47  -5.725 -10.950  -0.504
  377   2HB   SER  47          1HB       SER  47  -5.612 -12.532  -1.270
  378    HG   SER  47           HG       SER  47  -6.405 -12.195   1.084
  379    H    GLU  48           H        GLU  48  -2.691 -12.632  -2.782
  380    HA   GLU  48           HA       GLU  48  -2.198 -15.367  -1.730
  381   1HB   GLU  48          2HB       GLU  48  -2.585 -14.062  -4.419
  382   2HB   GLU  48          1HB       GLU  48  -1.838 -15.655  -4.306
  383   1HG   GLU  48          2HG       GLU  48  -4.423 -15.105  -2.870
  384   2HG   GLU  48          1HG       GLU  48  -4.434 -15.496  -4.590
  385    H    GLN  49           H        GLN  49  -0.547 -12.425  -2.355
  386    HA   GLN  49           HA       GLN  49   1.961 -13.536  -3.303
  387   1HB   GLN  49          2HB       GLN  49   0.761 -10.973  -2.687
  388   2HB   GLN  49          1HB       GLN  49   2.343 -11.062  -1.927
  389   1HG   GLN  49          2HG       GLN  49   2.565 -10.165  -4.187
  390   2HG   GLN  49          1HG       GLN  49   3.326 -11.752  -4.103
  391   1HE2  GLN  49          1HE2      GLN  49   0.187 -10.222  -4.998
  392   2HE2  GLN  49          2HE2      GLN  49  -0.184 -11.350  -6.210
  393    H    SER  50           H        SER  50   3.775 -14.058  -2.052
  394    HA   SER  50           HA       SER  50   3.247 -14.585   0.825
  395   1HB   SER  50          2HB       SER  50   5.216 -16.083   0.557
  396   2HB   SER  50          1HB       SER  50   3.989 -16.417  -0.662
  397    HG   SER  50           HG       SER  50   5.266 -15.631  -2.174
  398    H    ALA  51           H        ALA  51   6.605 -14.287   0.044
  399    HA   ALA  51           HA       ALA  51   6.677 -11.656   1.457
  400   1HB   ALA  51          1HB       ALA  51   8.618 -13.957   1.100
  401   2HB   ALA  51          2HB       ALA  51   7.870 -13.399   2.597
  402   3HB   ALA  51          3HB       ALA  51   9.103 -12.415   1.807
  403    H    LYS  52           H        LYS  52   7.493 -13.292  -1.536
  404    HA   LYS  52           HA       LYS  52   9.481 -11.605  -2.623
  405   1HB   LYS  52          2HB       LYS  52   8.312 -13.799  -3.445
  406   2HB   LYS  52          1HB       LYS  52   7.193 -12.697  -4.249
  407   1HG   LYS  52          2HG       LYS  52   9.322 -11.533  -5.161
  408   2HG   LYS  52          1HG       LYS  52  10.158 -13.013  -4.692
  409   1HD   LYS  52          2HD       LYS  52   8.812 -14.348  -6.147
  410   2HD   LYS  52          1HD       LYS  52   7.675 -13.027  -6.417
  411   1HE   LYS  52          2HE       LYS  52  10.577 -12.675  -7.154
  412   2HE   LYS  52          1HE       LYS  52   9.465 -13.503  -8.263
  413   1HZ   LYS  52          1HZ       LYS  52   9.006 -10.834  -7.035
  414   2HZ   LYS  52          2HZ       LYS  52   7.948 -11.635  -8.095
  415   3HZ   LYS  52          3HZ       LYS  52   9.465 -11.103  -8.645
  416    H    ASP  53           H        ASP  53   5.918 -11.288  -2.998
  417    HA   ASP  53           HA       ASP  53   6.366  -8.395  -3.669
  418   1HB   ASP  53          2HB       ASP  53   4.732 -10.573  -4.872
  419   2HB   ASP  53          1HB       ASP  53   4.002  -8.968  -4.817
  420    H    LYS  54           H        LYS  54   6.138  -8.658  -1.104
  421    HA   LYS  54           HA       LYS  54   3.598  -7.484  -0.376
  422   1HB   LYS  54          2HB       LYS  54   3.570 -10.185  -0.605
  423   2HB   LYS  54          1HB       LYS  54   4.050 -10.017   1.077
  424   1HG   LYS  54          2HG       LYS  54   2.088  -8.342   1.271
  425   2HG   LYS  54          1HG       LYS  54   1.549  -8.994  -0.271
  426   1HD   LYS  54          2HD       LYS  54   0.396 -10.299   1.308
  427   2HD   LYS  54          1HD       LYS  54   1.773 -11.304   0.863
  428   1HE   LYS  54          2HE       LYS  54   3.003 -10.560   2.859
  429   2HE   LYS  54          1HE       LYS  54   1.654  -9.496   3.303
  430   1HZ   LYS  54          1HZ       LYS  54   1.486 -11.650   4.419
  431   2HZ   LYS  54          2HZ       LYS  54   1.469 -12.439   2.914
  432   3HZ   LYS  54          3HZ       LYS  54   0.190 -11.410   3.352
  433    H    GLN  55           H        GLN  55   6.656  -8.954   0.652
  434    HA   GLN  55           HA       GLN  55   6.589  -7.888   3.358
  435   1HB   GLN  55          2HB       GLN  55   8.434  -9.366   1.555
  436   2HB   GLN  55          1HB       GLN  55   9.187  -8.473   2.876
  437   1HG   GLN  55          2HG       GLN  55   6.883 -10.410   3.238
  438   2HG   GLN  55          1HG       GLN  55   8.578 -10.836   3.478
  439   1HE2  GLN  55          1HE2      GLN  55   5.823  -9.351   4.961
  440   2HE2  GLN  55          2HE2      GLN  55   6.601  -8.821   6.373
  441    HA   PRO  56           HA       PRO  56   9.622  -4.635   1.631
  442   1HB   PRO  56          2HB       PRO  56   9.911  -4.367  -1.073
  443   2HB   PRO  56          1HB       PRO  56  10.915  -5.454  -0.095
  444   1HG   PRO  56          2HG       PRO  56   8.599  -6.080  -1.843
  445   2HG   PRO  56          1HG       PRO  56  10.078  -7.006  -1.549
  446   1HD   PRO  56          2HD       PRO  56   7.647  -7.566  -0.420
  447   2HD   PRO  56          1HD       PRO  56   9.207  -8.050   0.276
  448    H    TYR  57           H        TYR  57   6.486  -5.239   0.356
  449    HA   TYR  57           HA       TYR  57   6.063  -2.489  -0.634
  450   1HB   TYR  57          2HB       TYR  57   4.435  -5.022  -0.395
  451   2HB   TYR  57          1HB       TYR  57   3.691  -3.498  -0.879
  452    HD1  TYR  57           1HD      TYR  57   5.509  -2.167  -2.599
  453    HD2  TYR  57           2HD      TYR  57   4.837  -6.389  -2.227
  454    HE1  TYR  57           1HE      TYR  57   6.341  -2.502  -4.911
  455    HE2  TYR  57           2HE      TYR  57   5.667  -6.727  -4.539
  456    HH   TYR  57           HH       TYR  57   7.469  -4.674  -6.160
  457    H    GLU  58           H        GLU  58   5.252  -4.480   2.189
  458    HA   GLU  58           HA       GLU  58   3.469  -2.489   3.369
  459   1HB   GLU  58          2HB       GLU  58   3.622  -4.023   5.334
  460   2HB   GLU  58          1HB       GLU  58   3.240  -4.874   3.840
  461   1HG   GLU  58          2HG       GLU  58   5.165  -6.067   3.898
  462   2HG   GLU  58          1HG       GLU  58   6.124  -4.648   4.310
  463    H    GLN  59           H        GLN  59   6.927  -3.047   3.338
  464    HA   GLN  59           HA       GLN  59   7.420  -1.303   5.677
  465   1HB   GLN  59          2HB       GLN  59   9.204  -2.731   3.682
  466   2HB   GLN  59          1HB       GLN  59   9.788  -1.872   5.106
  467   1HG   GLN  59          2HG       GLN  59   7.738  -4.080   5.311
  468   2HG   GLN  59          1HG       GLN  59   9.470  -4.411   5.349
  469   1HE2  GLN  59          1HE2      GLN  59   6.806  -2.906   7.132
  470   2HE2  GLN  59          2HE2      GLN  59   7.669  -2.680   8.577
  471    H    LYS  60           H        LYS  60   6.921  -0.964   2.299
  472    HA   LYS  60           HA       LYS  60   8.578   1.481   2.027
  473   1HB   LYS  60          2HB       LYS  60   8.177  -0.442   0.297
  474   2HB   LYS  60          1HB       LYS  60   6.622   0.345   0.026
  475   1HG   LYS  60          2HG       LYS  60   7.771   2.460  -0.498
  476   2HG   LYS  60          1HG       LYS  60   9.330   1.685  -0.216
  477   1HD   LYS  60          2HD       LYS  60   8.575  -0.032  -1.999
  478   2HD   LYS  60          1HD       LYS  60   7.352   1.163  -2.431
  479   1HE   LYS  60          2HE       LYS  60   8.945   2.722  -3.163
  480   2HE   LYS  60          1HE       LYS  60  10.242   1.993  -2.197
  481   1HZ   LYS  60          1HZ       LYS  60  10.110   0.010  -3.565
  482   2HZ   LYS  60          2HZ       LYS  60  10.432   1.366  -4.535
  483   3HZ   LYS  60          3HZ       LYS  60   8.870   0.698  -4.495
  484    H    ALA  61           H        ALA  61   5.232   0.409   2.317
  485    HA   ALA  61           HA       ALA  61   4.116   3.113   1.969
  486   1HB   ALA  61          1HB       ALA  61   2.143   1.946   1.769
  487   2HB   ALA  61          2HB       ALA  61   2.529   0.875   3.114
  488   3HB   ALA  61          3HB       ALA  61   3.226   0.577   1.522
  489    H    ALA  62           H        ALA  62   4.984   0.865   4.547
  490    HA   ALA  62           HA       ALA  62   3.634   2.073   6.750
  491   1HB   ALA  62          1HB       ALA  62   6.213   0.523   6.410
  492   2HB   ALA  62          2HB       ALA  62   4.662  -0.063   7.013
  493   3HB   ALA  62          3HB       ALA  62   5.640   1.022   8.001
  494    H    LYS  63           H        LYS  63   7.103   2.556   5.787
  495    HA   LYS  63           HA       LYS  63   7.497   4.807   7.524
  496   1HB   LYS  63          2HB       LYS  63   9.104   3.187   6.191
  497   2HB   LYS  63          1HB       LYS  63   8.968   4.416   4.933
  498   1HG   LYS  63          2HG       LYS  63   9.723   6.142   6.504
  499   2HG   LYS  63          1HG       LYS  63   9.808   4.946   7.799
  500   1HD   LYS  63          2HD       LYS  63  11.413   3.649   6.257
  501   2HD   LYS  63          1HD       LYS  63  11.521   5.141   5.320
  502   1HE   LYS  63          2HE       LYS  63  13.309   5.377   6.839
  503   2HE   LYS  63          1HE       LYS  63  12.004   6.241   7.676
  504   1HZ   LYS  63          1HZ       LYS  63  11.443   4.251   8.870
  505   2HZ   LYS  63          2HZ       LYS  63  13.097   4.568   9.100
  506   3HZ   LYS  63          3HZ       LYS  63  12.603   3.351   8.021
  507    H    LEU  64           H        LEU  64   5.800   4.526   4.522
  508    HA   LEU  64           HA       LEU  64   6.174   7.320   3.683
  509   1HB   LEU  64          2HB       LEU  64   4.720   4.860   2.791
  510   2HB   LEU  64          1HB       LEU  64   4.117   6.414   2.214
  511    HG   LEU  64           HG       LEU  64   7.012   5.546   1.996
  512   1HD1  LEU  64          1HD1      LEU  64   5.159   4.249   0.653
  513   2HD1  LEU  64          2HD1      LEU  64   6.612   4.801  -0.180
  514   3HD1  LEU  64          3HD1      LEU  64   5.111   5.716  -0.325
  515   1HD2  LEU  64          1HD2      LEU  64   6.884   7.422   0.210
  516   2HD2  LEU  64          2HD2      LEU  64   6.908   7.909   1.904
  517   3HD2  LEU  64          3HD2      LEU  64   5.386   7.893   1.012
  518    H    LYS  65           H        LYS  65   3.771   5.340   5.358
  519    HA   LYS  65           HA       LYS  65   1.675   7.306   5.523
  520   1HB   LYS  65          2HB       LYS  65   1.364   4.896   5.900
  521   2HB   LYS  65          1HB       LYS  65   2.451   4.947   7.288
  522   1HG   LYS  65          2HG       LYS  65   0.914   6.137   8.605
  523   2HG   LYS  65          1HG       LYS  65   0.020   6.725   7.203
  524   1HD   LYS  65          2HD       LYS  65  -1.366   5.032   8.115
  525   2HD   LYS  65          1HD       LYS  65  -0.554   4.252   6.756
  526   1HE   LYS  65          2HE       LYS  65   1.174   3.377   8.367
  527   2HE   LYS  65          1HE       LYS  65   0.183   4.017   9.693
  528   1HZ   LYS  65          1HZ       LYS  65  -1.706   2.765   8.814
  529   2HZ   LYS  65          2HZ       LYS  65  -0.426   1.730   9.232
  530   3HZ   LYS  65          3HZ       LYS  65  -0.721   2.107   7.602
  531    H    GLU  66           H        GLU  66   4.239   6.338   7.811
  532    HA   GLU  66           HA       GLU  66   3.714   8.171   9.907
  533   1HB   GLU  66          2HB       GLU  66   5.344   6.228   9.811
  534   2HB   GLU  66          1HB       GLU  66   6.434   7.279   8.905
  535   1HG   GLU  66          2HG       GLU  66   6.450   8.889  10.769
  536   2HG   GLU  66          1HG       GLU  66   5.344   7.857  11.676
  537    H    LYS  67           H        LYS  67   5.278   8.681   6.793
  538    HA   LYS  67           HA       LYS  67   6.468  11.256   7.409
  539   1HB   LYS  67          2HB       LYS  67   5.862   9.573   5.006
  540   2HB   LYS  67          1HB       LYS  67   6.256  11.273   4.743
  541   1HG   LYS  67          2HG       LYS  67   8.218  10.669   6.472
  542   2HG   LYS  67          1HG       LYS  67   7.975   9.067   5.773
  543   1HD   LYS  67          2HD       LYS  67   8.318  11.543   4.070
  544   2HD   LYS  67          1HD       LYS  67   9.683  10.551   4.585
  545   1HE   LYS  67          2HE       LYS  67   8.717   8.584   3.482
  546   2HE   LYS  67          1HE       LYS  67   7.285   9.526   3.021
  547   1HZ   LYS  67          1HZ       LYS  67   8.726  11.073   1.846
  548   2HZ   LYS  67          2HZ       LYS  67   8.918   9.502   1.229
  549   3HZ   LYS  67          3HZ       LYS  67  10.091  10.160   2.267
  550    H    TYR  68           H        TYR  68   3.309  10.174   6.301
  551    HA   TYR  68           HA       TYR  68   2.286  12.709   5.372
  552   1HB   TYR  68          2HB       TYR  68   1.407  10.346   4.994
  553   2HB   TYR  68          1HB       TYR  68   0.783  10.396   6.638
  554    HD1  TYR  68           1HD      TYR  68   0.896  12.909   3.843
  555    HD2  TYR  68           2HD      TYR  68  -1.522  10.700   6.624
  556    HE1  TYR  68           1HE      TYR  68  -1.125  14.096   3.030
  557    HE2  TYR  68           2HE      TYR  68  -3.541  11.888   5.812
  558    HH   TYR  68           HH       TYR  68  -4.051  13.146   3.311
  559    H    GLU  69           H        GLU  69   2.376  11.100   8.511
  560    HA   GLU  69           HA       GLU  69   0.654  12.776  10.019
  561   1HB   GLU  69          2HB       GLU  69   3.215  11.330  10.775
  562   2HB   GLU  69          1HB       GLU  69   2.032  11.940  11.933
  563   1HG   GLU  69          2HG       GLU  69   0.358  10.537  10.399
  564   2HG   GLU  69          1HG       GLU  69   1.829   9.626  10.057
  565    H    LYS  70           H        LYS  70   4.114  13.162   9.234
  566    HA   LYS  70           HA       LYS  70   4.344  15.665  10.759
  567   1HB   LYS  70          2HB       LYS  70   6.061  13.886   9.054
  568   2HB   LYS  70          1HB       LYS  70   6.597  15.543   9.336
  569   1HG   LYS  70          2HG       LYS  70   7.560  14.479  11.160
  570   2HG   LYS  70          1HG       LYS  70   6.009  14.957  11.853
  571   1HD   LYS  70          2HD       LYS  70   5.084  12.727  11.289
  572   2HD   LYS  70          1HD       LYS  70   6.659  12.250  10.651
  573   1HE   LYS  70          2HE       LYS  70   6.381  13.282  13.480
  574   2HE   LYS  70          1HE       LYS  70   6.143  11.566  13.093
  575   1HZ   LYS  70          1HZ       LYS  70   8.459  11.948  13.571
  576   2HZ   LYS  70          2HZ       LYS  70   8.531  13.210  12.437
  577   3HZ   LYS  70          3HZ       LYS  70   8.289  11.611  11.918
  578    H    ASP  71           H        ASP  71   4.068  14.606   7.392
  579    HA   ASP  71           HA       ASP  71   4.397  17.132   6.089
  580   1HB   ASP  71          2HB       ASP  71   3.329  14.429   5.550
  581   2HB   ASP  71          1HB       ASP  71   2.618  15.692   4.551
  582    H    ILE  72           H        ILE  72   1.407  15.396   6.997
  583    HA   ILE  72           HA       ILE  72  -0.429  17.485   6.356
  584    HB   ILE  72           HB       ILE  72  -0.409  15.109   8.232
  585   1HG1  ILE  72          2HG1      ILE  72  -0.489  14.744   5.786
  586   2HG1  ILE  72          1HG1      ILE  72  -1.969  14.203   6.574
  587   1HG2  ILE  72          1HG2      ILE  72  -2.967  15.484   8.321
  588   2HG2  ILE  72          2HG2      ILE  72  -2.613  17.151   7.870
  589   3HG2  ILE  72          3HG2      ILE  72  -1.972  16.489   9.373
  590   1HD1  ILE  72          1HD1      ILE  72  -3.179  15.570   5.256
  591   2HD1  ILE  72          2HD1      ILE  72  -1.702  16.103   4.458
  592   3HD1  ILE  72          3HD1      ILE  72  -2.297  16.965   5.876
  593    H    ALA  73           H        ALA  73   1.449  16.836   9.299
  594    HA   ALA  73           HA       ALA  73   0.245  18.633  11.118
  595   1HB   ALA  73          1HB       ALA  73   2.058  16.946  11.540
  596   2HB   ALA  73          2HB       ALA  73   2.398  18.521  12.259
  597   3HB   ALA  73          3HB       ALA  73   3.201  18.041  10.764
  598    H    ALA  74           H        ALA  74   2.854  19.294   8.756
  599    HA   ALA  74           HA       ALA  74   3.176  22.078   9.421
  600   1HB   ALA  74          1HB       ALA  74   4.870  20.784   8.245
  601   2HB   ALA  74          2HB       ALA  74   4.340  22.093   7.189
  602   3HB   ALA  74          3HB       ALA  74   3.750  20.453   6.923
  603    H    TYR  75           H        TYR  75   0.796  20.374   7.539
  604    HA   TYR  75           HA       TYR  75  -0.168  22.916   6.298
  605   1HB   TYR  75          2HB       TYR  75   0.351  20.912   4.891
  606   2HB   TYR  75          1HB       TYR  75  -0.892  20.016   5.764
  607    HD1  TYR  75           1HD      TYR  75  -0.277  22.926   3.537
  608    HD2  TYR  75           2HD      TYR  75  -3.220  20.331   5.287
  609    HE1  TYR  75           1HE      TYR  75  -2.005  23.869   2.029
  610    HE2  TYR  75           2HE      TYR  75  -4.948  21.275   3.780
  611    HH   TYR  75           HH       TYR  75  -4.733  22.510   1.284
  612    H    ARG  76           H        ARG  76  -0.747  20.901   8.958
  613    HA   ARG  76           HA       ARG  76  -3.607  20.808   9.101
  614   1HB   ARG  76          2HB       ARG  76  -1.729  19.638  10.476
  615   2HB   ARG  76          1HB       ARG  76  -1.768  21.091  11.476
  616   1HG   ARG  76          2HG       ARG  76  -4.089  20.757  12.014
  617   2HG   ARG  76          1HG       ARG  76  -4.236  19.463  10.825
  618   1HD   ARG  76          2HD       ARG  76  -2.246  19.245  13.088
  619   2HD   ARG  76          1HD       ARG  76  -3.939  18.757  13.305
  620    HE   ARG  76           HE       ARG  76  -2.509  17.704  10.926
  621   1HH1  ARG  76          1HH1      ARG  76  -1.465  16.391  13.398
  622   2HH1  ARG  76          2HH1      ARG  76  -2.547  15.052  13.587
  623   1HH2  ARG  76          1HH2      ARG  76  -4.949  16.346  11.446
  624   2HH2  ARG  76          2HH2      ARG  76  -4.519  15.026  12.482
  625    H    ALA  77           H        ALA  77  -1.422  22.986  10.935
  626    HA   ALA  77           HA       ALA  77  -3.609  25.032  10.929
  627   1HB   ALA  77          1HB       ALA  77  -3.267  24.286  13.145
  628   2HB   ALA  77          2HB       ALA  77  -2.306  25.761  13.053
  629   3HB   ALA  77          3HB       ALA  77  -1.521  24.187  12.927
  630    H    LYS  78           H        LYS  78  -0.162  25.202  11.697
  631    HA   LYS  78           HA       LYS  78   1.523  26.690  10.963
  632   1HB   LYS  78          2HB       LYS  78   0.922  25.208   8.947
  633   2HB   LYS  78          1HB       LYS  78   0.010  26.593   8.345
  634   1HG   LYS  78          2HG       LYS  78   1.959  27.948   8.200
  635   2HG   LYS  78          1HG       LYS  78   2.904  26.826   9.181
  636   1HD   LYS  78          2HD       LYS  78   2.982  25.206   7.437
  637   2HD   LYS  78          1HD       LYS  78   1.718  26.025   6.519
  638   1HE   LYS  78          2HE       LYS  78   3.830  26.568   5.461
  639   2HE   LYS  78          1HE       LYS  78   3.315  28.018   6.345
  640   1HZ   LYS  78          1HZ       LYS  78   4.620  27.258   8.248
  641   2HZ   LYS  78          2HZ       LYS  78   5.604  27.484   6.882
  642   3HZ   LYS  78          3HZ       LYS  78   5.155  25.916   7.361
  Start of MODEL   15
    1   1H    MET   1          1HT       MET   1 -12.290  20.635  -6.417
    2   2H    MET   1          2HT       MET   1 -11.662  21.352  -5.010
    3   3H    MET   1          3HT       MET   1 -12.371  19.810  -4.937
    4    HA   MET   1           HA       MET   1 -10.593  18.907  -6.335
    5   1HB   MET   1          2HB       MET   1  -9.864  21.840  -6.245
    6   2HB   MET   1          1HB       MET   1  -8.675  20.609  -6.671
    7   1HG   MET   1          2HG       MET   1 -10.351  19.782  -8.411
    8   2HG   MET   1          1HG       MET   1 -11.255  21.265  -8.105
    9   1HE   MET   1          1HE       MET   1 -11.160  21.800 -10.508
   10   2HE   MET   1          2HE       MET   1  -9.985  23.005 -11.031
   11   3HE   MET   1          3HE       MET   1 -10.933  23.284  -9.572
   12    H    LYS   2           H        LYS   2  -8.423  18.372  -5.368
   13    HA   LYS   2           HA       LYS   2  -8.043  19.291  -2.558
   14   1HB   LYS   2          2HB       LYS   2  -8.672  16.518  -3.562
   15   2HB   LYS   2          1HB       LYS   2  -7.775  16.742  -2.059
   16   1HG   LYS   2          2HG       LYS   2  -9.588  18.103  -1.141
   17   2HG   LYS   2          1HG       LYS   2 -10.475  17.984  -2.661
   18   1HD   LYS   2          2HD       LYS   2 -10.863  15.659  -2.382
   19   2HD   LYS   2          1HD       LYS   2  -9.646  15.529  -1.111
   20   1HE   LYS   2          2HE       LYS   2 -11.020  16.755   0.447
   21   2HE   LYS   2          1HE       LYS   2 -12.170  17.195  -0.832
   22   1HZ   LYS   2          1HZ       LYS   2 -12.942  15.259   0.416
   23   2HZ   LYS   2          2HZ       LYS   2 -11.517  14.423   0.021
   24   3HZ   LYS   2          3HZ       LYS   2 -12.618  14.854  -1.199
   25    H    LYS   3           H        LYS   3  -5.993  17.754  -1.764
   26    HA   LYS   3           HA       LYS   3  -3.654  17.493  -1.975
   27   1HB   LYS   3          2HB       LYS   3  -4.781  15.825  -3.622
   28   2HB   LYS   3          1HB       LYS   3  -4.233  16.930  -4.883
   29   1HG   LYS   3          2HG       LYS   3  -1.912  16.733  -4.025
   30   2HG   LYS   3          1HG       LYS   3  -2.474  15.582  -2.812
   31   1HD   LYS   3          2HD       LYS   3  -2.954  13.933  -4.408
   32   2HD   LYS   3          1HD       LYS   3  -3.050  15.103  -5.725
   33   1HE   LYS   3          2HE       LYS   3  -0.444  14.720  -4.257
   34   2HE   LYS   3          1HE       LYS   3  -0.909  13.610  -5.562
   35   1HZ   LYS   3          1HZ       LYS   3  -1.306  15.509  -6.999
   36   2HZ   LYS   3          2HZ       LYS   3   0.295  15.531  -6.432
   37   3HZ   LYS   3          3HZ       LYS   3  -0.863  16.576  -5.758
   38    H    ASP   4           H        ASP   4  -2.896  19.632  -1.724
   39    HA   ASP   4           HA       ASP   4  -2.978  21.595  -3.881
   40   1HB   ASP   4          2HB       ASP   4  -1.872  21.331  -1.111
   41   2HB   ASP   4          1HB       ASP   4  -1.231  22.616  -2.136
   42    HA   PRO   5           HA       PRO   5   0.812  20.615  -5.903
   43   1HB   PRO   5          2HB       PRO   5   1.983  23.051  -6.329
   44   2HB   PRO   5          1HB       PRO   5   0.555  22.496  -7.225
   45   1HG   PRO   5          2HG       PRO   5   0.734  24.378  -4.929
   46   2HG   PRO   5          1HG       PRO   5  -0.311  24.434  -6.356
   47   1HD   PRO   5          2HD       PRO   5  -1.152  23.597  -3.898
   48   2HD   PRO   5          1HD       PRO   5  -1.875  23.051  -5.427
   49    H    ASN   6           H        ASN   6   1.136  22.854  -3.167
   50    HA   ASN   6           HA       ASN   6   3.981  22.243  -2.751
   51   1HB   ASN   6          2HB       ASN   6   1.830  23.824  -1.329
   52   2HB   ASN   6          1HB       ASN   6   3.446  23.640  -0.645
   53   1HD2  ASN   6          1HD2      ASN   6   1.587  25.220  -3.172
   54   2HD2  ASN   6          2HD2      ASN   6   2.863  26.151  -3.793
   55    H    ALA   7           H        ALA   7   0.865  21.231  -1.431
   56    HA   ALA   7           HA       ALA   7   1.707  19.918   0.947
   57   1HB   ALA   7          1HB       ALA   7  -0.618  20.318   0.437
   58   2HB   ALA   7          2HB       ALA   7  -0.401  18.569   0.513
   59   3HB   ALA   7          3HB       ALA   7  -0.508  19.377  -1.051
   60    HA   PRO   8           HA       PRO   8   3.728  16.333  -0.537
   61   1HB   PRO   8          2HB       PRO   8   3.108  14.480   1.353
   62   2HB   PRO   8          1HB       PRO   8   4.304  15.773   1.563
   63   1HG   PRO   8          2HG       PRO   8   1.637  15.513   2.710
   64   2HG   PRO   8          1HG       PRO   8   3.028  16.473   3.189
   65   1HD   PRO   8          2HD       PRO   8   0.714  17.406   1.861
   66   2HD   PRO   8          1HD       PRO   8   2.178  18.319   2.272
   67    H    LYS   9           H        LYS   9   3.390  14.240  -1.573
   68    HA   LYS   9           HA       LYS   9   0.941  13.934  -2.992
   69   1HB   LYS   9          2HB       LYS   9   3.214  12.044  -2.327
   70   2HB   LYS   9          1HB       LYS   9   1.940  11.648  -3.482
   71   1HG   LYS   9          2HG       LYS   9   2.537  13.517  -4.889
   72   2HG   LYS   9          1HG       LYS   9   3.670  14.127  -3.681
   73   1HD   LYS   9          2HD       LYS   9   4.962  11.980  -3.912
   74   2HD   LYS   9          1HD       LYS   9   3.903  11.549  -5.255
   75   1HE   LYS   9          2HE       LYS   9   4.627  13.483  -6.534
   76   2HE   LYS   9          1HE       LYS   9   5.562  14.093  -5.154
   77   1HZ   LYS   9          1HZ       LYS   9   5.977  11.468  -6.487
   78   2HZ   LYS   9          2HZ       LYS   9   6.871  12.071  -5.173
   79   3HZ   LYS   9          3HZ       LYS   9   6.965  12.832  -6.690
   80    H    ARG  10           H        ARG  10  -0.065  11.505  -2.861
   81    HA   ARG  10           HA       ARG  10  -1.535  11.430  -0.334
   82   1HB   ARG  10          2HB       ARG  10  -1.469   9.679  -2.815
   83   2HB   ARG  10          1HB       ARG  10  -2.637   9.485  -1.507
   84   1HG   ARG  10          2HG       ARG  10  -3.250  11.934  -1.859
   85   2HG   ARG  10          1HG       ARG  10  -2.293  11.868  -3.339
   86   1HD   ARG  10          2HD       ARG  10  -3.709   9.905  -4.078
   87   2HD   ARG  10          1HD       ARG  10  -4.754  10.217  -2.676
   88    HE   ARG  10           HE       ARG  10  -4.988  12.582  -3.618
   89   1HH1  ARG  10          1HH2      ARG  10  -6.717  10.845  -5.210
   90   2HH1  ARG  10          2HH2      ARG  10  -6.176  11.114  -6.833
   91   1HH2  ARG  10          1HH1      ARG  10  -3.156  12.524  -5.876
   92   2HH2  ARG  10          2HH1      ARG  10  -4.160  12.064  -7.211
   93    HA   PRO  11           HA       PRO  11   1.240   8.556   1.601
   94   1HB   PRO  11          2HB       PRO  11  -0.387   7.624   3.593
   95   2HB   PRO  11          1HB       PRO  11   0.365   9.229   3.633
   96   1HG   PRO  11          2HG       PRO  11  -2.419   8.461   2.933
   97   2HG   PRO  11          1HG       PRO  11  -1.824   9.879   3.809
   98   1HD   PRO  11          2HD       PRO  11  -2.596   9.910   1.180
   99   2HD   PRO  11          1HD       PRO  11  -1.441  11.058   1.893
  100    HA   PRO  12           HA       PRO  12  -0.094   4.774  -0.385
  101   1HB   PRO  12          2HB       PRO  12   1.969   3.157   0.394
  102   2HB   PRO  12          1HB       PRO  12   2.130   4.367  -0.894
  103   1HG   PRO  12          2HG       PRO  12   3.011   4.494   1.943
  104   2HG   PRO  12          1HG       PRO  12   3.803   5.109   0.484
  105   1HD   PRO  12          2HD       PRO  12   2.411   6.678   2.236
  106   2HD   PRO  12          1HD       PRO  12   2.628   7.066   0.515
  107    H    SER  13           H        SER  13  -0.175   2.288   0.476
  108    HA   SER  13           HA       SER  13  -0.627   2.048   3.368
  109   1HB   SER  13          2HB       SER  13  -2.833   2.264   1.330
  110   2HB   SER  13          1HB       SER  13  -3.087   1.400   2.843
  111    HG   SER  13           HG       SER  13  -2.852   4.093   2.344
  112    H    ALA  14           H        ALA  14   1.029   0.630   1.416
  113    HA   ALA  14           HA       ALA  14   1.668  -1.592   1.038
  114   1HB   ALA  14          1HB       ALA  14   0.040  -1.698   3.305
  115   2HB   ALA  14          2HB       ALA  14   1.025  -3.021   2.680
  116   3HB   ALA  14          3HB       ALA  14  -0.673  -2.894   2.222
  117    H    PHE  15           H        PHE  15  -1.913  -1.902   1.011
  118    HA   PHE  15           HA       PHE  15  -1.997  -3.368  -1.430
  119   1HB   PHE  15          2HB       PHE  15  -3.800  -3.230   0.265
  120   2HB   PHE  15          1HB       PHE  15  -4.064  -1.538  -0.158
  121    HD1  PHE  15           1HD      PHE  15  -5.972  -1.223  -1.451
  122    HD2  PHE  15           2HD      PHE  15  -3.560  -4.717  -2.102
  123    HE1  PHE  15           1HE      PHE  15  -7.468  -1.909  -3.306
  124    HE2  PHE  15           2HE      PHE  15  -5.057  -5.404  -3.956
  125    HZ   PHE  15           HZ       PHE  15  -7.009  -4.000  -4.561
  126    H    PHE  16           H        PHE  16  -1.816   0.094  -0.827
  127    HA   PHE  16           HA       PHE  16  -2.693   0.953  -3.446
  128   1HB   PHE  16          2HB       PHE  16  -2.363   2.181  -1.115
  129   2HB   PHE  16          1HB       PHE  16  -0.749   2.497  -1.752
  130    HD1  PHE  16           1HD      PHE  16  -0.532   3.606  -4.039
  131    HD2  PHE  16           2HD      PHE  16  -4.235   3.425  -1.868
  132    HE1  PHE  16           1HE      PHE  16  -1.440   5.445  -5.433
  133    HE2  PHE  16           2HE      PHE  16  -5.142   5.265  -3.263
  134    HZ   PHE  16           HZ       PHE  16  -3.744   6.275  -5.045
  135    H    LEU  17           H        LEU  17   0.427  -0.013  -2.100
  136    HA   LEU  17           HA       LEU  17   2.058   0.906  -4.315
  137   1HB   LEU  17          2HB       LEU  17   2.318  -1.197  -2.151
  138   2HB   LEU  17          1HB       LEU  17   3.607  -0.904  -3.320
  139    HG   LEU  17           HG       LEU  17   3.229   1.622  -2.606
  140   1HD1  LEU  17          1HD1      LEU  17   1.932  -0.012  -0.458
  141   2HD1  LEU  17          2HD1      LEU  17   1.485   1.577  -1.080
  142   3HD1  LEU  17          3HD1      LEU  17   2.858   1.413   0.014
  143   1HD2  LEU  17          1HD2      LEU  17   4.958   1.290  -0.830
  144   2HD2  LEU  17          2HD2      LEU  17   5.334   0.428  -2.322
  145   3HD2  LEU  17          3HD2      LEU  17   4.682  -0.448  -0.937
  146    H    PHE  18           H        PHE  18   1.373  -2.443  -3.421
  147    HA   PHE  18           HA       PHE  18   1.819  -3.894  -5.693
  148   1HB   PHE  18          2HB       PHE  18   0.923  -4.862  -3.647
  149   2HB   PHE  18          1HB       PHE  18  -0.611  -4.023  -3.874
  150    HD1  PHE  18           1HD      PHE  18  -2.329  -4.955  -5.221
  151    HD2  PHE  18           2HD      PHE  18   1.630  -6.617  -5.350
  152    HE1  PHE  18           1HE      PHE  18  -3.174  -6.860  -6.565
  153    HE2  PHE  18           2HE      PHE  18   0.785  -8.523  -6.694
  154    HZ   PHE  18           HZ       PHE  18  -1.618  -8.645  -7.302
  155    H    CYS  19           H        CYS  19  -1.417  -2.324  -5.179
  156    HA   CYS  19           HA       CYS  19  -2.349  -2.829  -7.827
  157   1HB   CYS  19          2HB       CYS  19  -3.725  -2.228  -5.836
  158   2HB   CYS  19          1HB       CYS  19  -3.059  -0.600  -5.898
  159    HG   CYS  19           HG       CYS  19  -5.292  -0.539  -7.240
  160    H    SER  20           H        SER  20  -0.716   0.007  -6.428
  161    HA   SER  20           HA       SER  20  -0.864   1.758  -8.649
  162   1HB   SER  20          2HB       SER  20  -0.090   2.491  -6.488
  163   2HB   SER  20          1HB       SER  20   1.242   1.340  -6.511
  164    HG   SER  20           HG       SER  20   1.853   3.495  -7.104
  165    H    GLU  21           H        GLU  21   1.356  -0.964  -8.067
  166    HA   GLU  21           HA       GLU  21   2.952  -0.274 -10.451
  167   1HB   GLU  21          2HB       GLU  21   4.294  -2.222  -9.727
  168   2HB   GLU  21          1HB       GLU  21   4.014  -1.103  -8.395
  169   1HG   GLU  21          2HG       GLU  21   2.415  -2.515  -7.389
  170   2HG   GLU  21          1HG       GLU  21   2.179  -3.447  -8.867
  171    H    HIS  22           H        HIS  22   0.341  -2.533  -9.595
  172    HA   HIS  22           HA       HIS  22   0.680  -3.948 -12.196
  173   1HB   HIS  22          2HB       HIS  22  -0.991  -4.390  -9.705
  174   2HB   HIS  22          1HB       HIS  22  -1.107  -5.409 -11.138
  175    HD1  HIS  22           1HD      HIS  22   1.424  -6.344 -11.937
  176    HD2  HIS  22           2HD      HIS  22   0.871  -5.340  -7.931
  177    HE1  HIS  22           1HE      HIS  22   3.258  -7.519 -10.645
  178    H    ARG  23           H        ARG  23  -0.554  -1.098 -11.608
  179    HA   ARG  23           HA       ARG  23  -3.351  -1.422 -12.393
  180   1HB   ARG  23          2HB       ARG  23  -2.553   0.327 -10.852
  181   2HB   ARG  23          1HB       ARG  23  -1.564   1.015 -12.134
  182   1HG   ARG  23          2HG       ARG  23  -3.336   2.033 -13.125
  183   2HG   ARG  23          1HG       ARG  23  -4.381   0.630 -12.902
  184   1HD   ARG  23          2HD       ARG  23  -5.355   2.292 -11.509
  185   2HD   ARG  23          1HD       ARG  23  -4.385   1.324 -10.380
  186    HE   ARG  23           HE       ARG  23  -2.590   3.044 -10.611
  187   1HH1  ARG  23          1HH2      ARG  23  -5.190   4.294  -9.527
  188   2HH1  ARG  23          2HH2      ARG  23  -5.232   5.771 -10.431
  189   1HH2  ARG  23          1HH1      ARG  23  -2.877   4.724 -12.753
  190   2HH2  ARG  23          2HH1      ARG  23  -3.922   6.014 -12.258
  191    HA   PRO  24           HA       PRO  24  -1.752   0.394 -16.509
  192   1HB   PRO  24          2HB       PRO  24   0.912   0.230 -17.095
  193   2HB   PRO  24          1HB       PRO  24   0.181   1.632 -16.287
  194   1HG   PRO  24          2HG       PRO  24   1.763  -0.601 -15.142
  195   2HG   PRO  24          1HG       PRO  24   1.723   1.108 -14.687
  196   1HD   PRO  24          2HD       PRO  24   0.450  -0.898 -13.321
  197   2HD   PRO  24          1HD       PRO  24  -0.019   0.812 -13.263
  198    H    LYS  25           H        LYS  25  -0.896  -2.571 -15.081
  199    HA   LYS  25           HA       LYS  25  -0.188  -3.942 -17.602
  200   1HB   LYS  25          2HB       LYS  25   0.843  -4.376 -15.326
  201   2HB   LYS  25          1HB       LYS  25  -0.711  -5.043 -14.824
  202   1HG   LYS  25          2HG       LYS  25   0.394  -6.966 -15.539
  203   2HG   LYS  25          1HG       LYS  25  -0.461  -6.496 -17.008
  204   1HD   LYS  25          2HD       LYS  25   1.505  -5.473 -17.929
  205   2HD   LYS  25          1HD       LYS  25   2.368  -5.609 -16.396
  206   1HE   LYS  25          2HE       LYS  25   1.310  -8.107 -17.703
  207   2HE   LYS  25          1HE       LYS  25   2.832  -7.393 -18.275
  208   1HZ   LYS  25          1HZ       LYS  25   2.176  -8.060 -15.452
  209   2HZ   LYS  25          2HZ       LYS  25   3.618  -7.333 -15.983
  210   3HZ   LYS  25          3HZ       LYS  25   3.243  -8.925 -16.447
  211    H    ILE  26           H        ILE  26  -2.862  -3.826 -15.249
  212    HA   ILE  26           HA       ILE  26  -4.483  -5.841 -16.556
  213    HB   ILE  26           HB       ILE  26  -5.166  -3.580 -14.645
  214   1HG1  ILE  26          2HG1      ILE  26  -3.436  -5.117 -13.783
  215   2HG1  ILE  26          1HG1      ILE  26  -4.946  -5.323 -12.903
  216   1HG2  ILE  26          1HG2      ILE  26  -6.965  -5.493 -14.079
  217   2HG2  ILE  26          2HG2      ILE  26  -6.733  -5.843 -15.791
  218   3HG2  ILE  26          3HG2      ILE  26  -7.274  -4.243 -15.285
  219   1HD1  ILE  26          1HD1      ILE  26  -3.852  -7.103 -15.099
  220   2HD1  ILE  26          2HD1      ILE  26  -5.487  -7.247 -14.453
  221   3HD1  ILE  26          3HD1      ILE  26  -4.097  -7.527 -13.404
  222    H    LYS  27           H        LYS  27  -3.937  -2.440 -17.124
  223    HA   LYS  27           HA       LYS  27  -6.410  -1.956 -18.615
  224   1HB   LYS  27          2HB       LYS  27  -3.802  -0.536 -18.102
  225   2HB   LYS  27          1HB       LYS  27  -4.947   0.101 -19.282
  226   1HG   LYS  27          2HG       LYS  27  -6.696  -0.227 -17.349
  227   2HG   LYS  27          1HG       LYS  27  -5.268  -0.202 -16.312
  228   1HD   LYS  27          2HD       LYS  27  -4.597   1.966 -17.290
  229   2HD   LYS  27          1HD       LYS  27  -6.038   1.948 -18.308
  230   1HE   LYS  27          2HE       LYS  27  -6.781   3.236 -16.495
  231   2HE   LYS  27          1HE       LYS  27  -7.278   1.612 -15.978
  232   1HZ   LYS  27          1HZ       LYS  27  -5.303   1.355 -14.724
  233   2HZ   LYS  27          2HZ       LYS  27  -5.928   2.879 -14.308
  234   3HZ   LYS  27          3HZ       LYS  27  -4.610   2.760 -15.374
  235    H    SER  28           H        SER  28  -3.299  -3.354 -19.338
  236    HA   SER  28           HA       SER  28  -3.271  -2.776 -22.191
  237   1HB   SER  28          2HB       SER  28  -1.894  -4.850 -20.453
  238   2HB   SER  28          1HB       SER  28  -1.482  -4.538 -22.137
  239    HG   SER  28           HG       SER  28  -0.387  -2.875 -21.488
  240    H    GLU  29           H        GLU  29  -4.041  -5.695 -20.271
  241    HA   GLU  29           HA       GLU  29  -5.122  -7.106 -22.616
  242   1HB   GLU  29          2HB       GLU  29  -4.846  -7.650 -19.655
  243   2HB   GLU  29          1HB       GLU  29  -5.668  -8.780 -20.733
  244   1HG   GLU  29          2HG       GLU  29  -2.900  -7.755 -21.359
  245   2HG   GLU  29          1HG       GLU  29  -3.143  -9.157 -20.317
  246    H    HIS  30           H        HIS  30  -6.371  -4.630 -20.817
  247    HA   HIS  30           HA       HIS  30  -9.155  -5.404 -21.454
  248   1HB   HIS  30          2HB       HIS  30  -8.231  -4.614 -18.669
  249   2HB   HIS  30          1HB       HIS  30  -9.896  -4.921 -19.148
  250    HD1  HIS  30           1HD      HIS  30 -10.645  -7.357 -19.391
  251    HD2  HIS  30           2HD      HIS  30  -6.584  -6.972 -18.558
  252    HE1  HIS  30           1HE      HIS  30  -9.812  -9.678 -18.814
  253    HA   PRO  31           HA       PRO  31  -8.115  -0.981 -22.258
  254   1HB   PRO  31          2HB       PRO  31  -9.663  -0.788 -24.518
  255   2HB   PRO  31          1HB       PRO  31  -7.986  -1.373 -24.540
  256   1HG   PRO  31          2HG       PRO  31 -10.532  -2.935 -24.547
  257   2HG   PRO  31          1HG       PRO  31  -9.051  -3.191 -25.487
  258   1HD   PRO  31          2HD       PRO  31  -9.619  -4.654 -23.289
  259   2HD   PRO  31          1HD       PRO  31  -7.954  -4.218 -23.734
  260    H    GLY  32           H        GLY  32  -9.319   0.495 -21.125
  261   1HA   GLY  32          2HA       GLY  32 -11.321   1.749 -20.653
  262   2HA   GLY  32          1HA       GLY  32 -12.277   0.426 -21.318
  263    H    LEU  33           H        LEU  33 -10.356  -1.376 -19.576
  264    HA   LEU  33           HA       LEU  33 -12.111  -2.023 -17.488
  265   1HB   LEU  33          2HB       LEU  33  -9.912  -3.083 -18.451
  266   2HB   LEU  33          1HB       LEU  33  -9.118  -2.166 -17.178
  267    HG   LEU  33           HG       LEU  33  -9.634  -4.470 -16.452
  268   1HD1  LEU  33          1HD1      LEU  33 -10.547  -3.900 -14.340
  269   2HD1  LEU  33          2HD1      LEU  33 -11.476  -2.561 -15.012
  270   3HD1  LEU  33          3HD1      LEU  33  -9.719  -2.446 -14.894
  271   1HD2  LEU  33          1HD2      LEU  33 -12.564  -3.796 -16.498
  272   2HD2  LEU  33          2HD2      LEU  33 -11.788  -5.378 -16.445
  273   3HD2  LEU  33          3HD2      LEU  33 -11.799  -4.451 -17.945
  274    H    SER  34           H        SER  34 -12.914  -0.411 -16.165
  275    HA   SER  34           HA       SER  34 -11.562   1.895 -15.202
  276   1HB   SER  34          2HB       SER  34 -13.382   1.665 -13.366
  277   2HB   SER  34          1HB       SER  34 -13.924   1.785 -15.038
  278    HG   SER  34           HG       SER  34 -14.077  -0.303 -13.259
  279    H    ILE  35           H        ILE  35 -11.608   1.970 -12.481
  280    HA   ILE  35           HA       ILE  35  -9.350   0.189 -11.743
  281    HB   ILE  35           HB       ILE  35 -10.662   2.539 -10.338
  282   1HG1  ILE  35          2HG1      ILE  35  -9.712   3.182 -12.523
  283   2HG1  ILE  35          1HG1      ILE  35  -8.745   3.846 -11.208
  284   1HG2  ILE  35          1HG2      ILE  35  -8.227   0.870  -9.784
  285   2HG2  ILE  35          2HG2      ILE  35  -9.453   1.459  -8.662
  286   3HG2  ILE  35          3HG2      ILE  35  -8.245   2.568  -9.309
  287   1HD1  ILE  35          1HD1      ILE  35  -7.158   2.951 -12.734
  288   2HD1  ILE  35          2HD1      ILE  35  -8.107   1.487 -12.987
  289   3HD1  ILE  35          3HD1      ILE  35  -7.275   1.744 -11.453
  290    H    GLY  36           H        GLY  36 -12.431  -0.520 -11.794
  291   1HA   GLY  36          2HA       GLY  36 -12.731  -1.327  -8.947
  292   2HA   GLY  36          1HA       GLY  36 -14.023  -1.323 -10.148
  293    H    ASP  37           H        ASP  37 -13.199  -2.776 -12.191
  294    HA   ASP  37           HA       ASP  37 -13.310  -5.489 -11.318
  295   1HB   ASP  37          2HB       ASP  37 -12.479  -4.151 -13.903
  296   2HB   ASP  37          1HB       ASP  37 -12.671  -5.897 -13.751
  297    H    THR  38           H        THR  38 -10.519  -3.520 -12.417
  298    HA   THR  38           HA       THR  38  -8.614  -5.691 -12.137
  299    HB   THR  38           HB       THR  38  -8.318  -3.758 -13.651
  300    HG1  THR  38           1HG      THR  38  -6.162  -3.249 -12.943
  301   1HG2  THR  38          1HG2      THR  38  -8.229  -2.209 -11.058
  302   2HG2  THR  38          2HG2      THR  38  -9.303  -1.954 -12.433
  303   3HG2  THR  38          3HG2      THR  38  -7.588  -1.575 -12.573
  304    H    ALA  39           H        ALA  39  -9.898  -3.227  -9.996
  305    HA   ALA  39           HA       ALA  39  -7.881  -3.473  -7.914
  306   1HB   ALA  39          1HB       ALA  39 -10.700  -2.394  -8.126
  307   2HB   ALA  39          2HB       ALA  39  -9.195  -1.486  -7.984
  308   3HB   ALA  39          3HB       ALA  39  -9.824  -2.374  -6.596
  309    H    LYS  40           H        LYS  40 -10.838  -5.142  -8.768
  310    HA   LYS  40           HA       LYS  40 -11.132  -6.599  -6.252
  311   1HB   LYS  40          2HB       LYS  40 -12.308  -6.624  -9.018
  312   2HB   LYS  40          1HB       LYS  40 -12.597  -8.012  -7.968
  313   1HG   LYS  40          2HG       LYS  40 -13.248  -6.213  -6.187
  314   2HG   LYS  40          1HG       LYS  40 -13.433  -5.148  -7.580
  315   1HD   LYS  40          2HD       LYS  40 -15.160  -6.451  -8.506
  316   2HD   LYS  40          1HD       LYS  40 -14.727  -7.868  -7.550
  317   1HE   LYS  40          2HE       LYS  40 -15.338  -6.413  -5.484
  318   2HE   LYS  40          1HE       LYS  40 -16.174  -5.373  -6.655
  319   1HZ   LYS  40          1HZ       LYS  40 -16.549  -8.310  -6.377
  320   2HZ   LYS  40          2HZ       LYS  40 -17.340  -7.310  -7.501
  321   3HZ   LYS  40          3HZ       LYS  40 -17.640  -7.129  -5.838
  322    H    LYS  41           H        LYS  41  -9.809  -7.248  -9.480
  323    HA   LYS  41           HA       LYS  41  -9.010  -9.983  -8.980
  324   1HB   LYS  41          2HB       LYS  41  -8.349  -7.804 -10.951
  325   2HB   LYS  41          1HB       LYS  41  -7.423  -9.305 -10.972
  326   1HG   LYS  41          2HG       LYS  41  -9.332 -10.614 -11.458
  327   2HG   LYS  41          1HG       LYS  41 -10.441  -9.328 -10.979
  328   1HD   LYS  41          2HD       LYS  41 -10.069  -8.098 -12.938
  329   2HD   LYS  41          1HD       LYS  41  -8.524  -8.889 -13.256
  330   1HE   LYS  41          2HE       LYS  41  -9.609 -10.928 -13.937
  331   2HE   LYS  41          1HE       LYS  41 -11.183 -10.352 -13.353
  332   1HZ   LYS  41          1HZ       LYS  41 -11.046  -8.508 -14.916
  333   2HZ   LYS  41          2HZ       LYS  41 -10.970  -9.994 -15.738
  334   3HZ   LYS  41          3HZ       LYS  41  -9.558  -9.082 -15.494
  335    H    LEU  42           H        LEU  42  -7.127  -6.933  -9.044
  336    HA   LEU  42           HA       LEU  42  -4.596  -7.863  -8.267
  337   1HB   LEU  42          2HB       LEU  42  -6.186  -5.376  -8.099
  338   2HB   LEU  42          1HB       LEU  42  -4.833  -5.457  -6.976
  339    HG   LEU  42           HG       LEU  42  -3.318  -6.006  -8.862
  340   1HD1  LEU  42          1HD1      LEU  42  -5.312  -6.942 -10.252
  341   2HD1  LEU  42          2HD1      LEU  42  -4.045  -6.060 -11.103
  342   3HD1  LEU  42          3HD1      LEU  42  -5.570  -5.262 -10.723
  343   1HD2  LEU  42          1HD2      LEU  42  -4.160  -3.601  -8.092
  344   2HD2  LEU  42          2HD2      LEU  42  -4.789  -3.562  -9.739
  345   3HD2  LEU  42          3HD2      LEU  42  -3.063  -3.794  -9.459
  346    H    GLY  43           H        GLY  43  -7.247  -6.805  -6.098
  347   1HA   GLY  43          2HA       GLY  43  -5.943  -7.220  -3.625
  348   2HA   GLY  43          1HA       GLY  43  -7.691  -7.347  -3.849
  349    H    GLU  44           H        GLU  44  -7.325  -9.529  -5.866
  350    HA   GLU  44           HA       GLU  44  -7.368 -11.795  -4.036
  351   1HB   GLU  44          2HB       GLU  44  -8.624 -11.399  -6.268
  352   2HB   GLU  44          1HB       GLU  44  -7.112 -11.858  -7.053
  353   1HG   GLU  44          2HG       GLU  44  -8.333 -13.885  -6.892
  354   2HG   GLU  44          1HG       GLU  44  -7.176 -13.957  -5.562
  355    H    MET  45           H        MET  45  -5.085 -10.440  -6.394
  356    HA   MET  45           HA       MET  45  -3.099 -12.560  -6.044
  357   1HB   MET  45          2HB       MET  45  -3.322  -9.895  -7.432
  358   2HB   MET  45          1HB       MET  45  -1.747 -10.674  -7.295
  359   1HG   MET  45          2HG       MET  45  -2.679 -12.717  -8.346
  360   2HG   MET  45          1HG       MET  45  -4.233 -11.903  -8.521
  361   1HE   MET  45          1HE       MET  45  -4.955 -10.750 -10.370
  362   2HE   MET  45          2HE       MET  45  -4.027  -9.640 -11.375
  363   3HE   MET  45          3HE       MET  45  -4.232  -9.300  -9.659
  364    H    TRP  46           H        TRP  46  -3.642  -9.267  -4.819
  365    HA   TRP  46           HA       TRP  46  -1.176  -8.854  -3.441
  366   1HB   TRP  46          2HB       TRP  46  -2.829  -7.108  -3.823
  367   2HB   TRP  46          1HB       TRP  46  -4.033  -7.966  -2.871
  368    HD1  TRP  46           HD       TRP  46  -4.281  -6.905  -0.565
  369    HE1  TRP  46           1HE      TRP  46  -2.692  -5.790   1.137
  370    HE3  TRP  46           3HE      TRP  46   0.096  -7.198  -3.147
  371    HZ2  TRP  46           2HZ      TRP  46   0.086  -5.117   1.363
  372    HZ3  TRP  46           3HZ      TRP  46   2.204  -6.318  -2.174
  373    HH2  TRP  46           HH       TRP  46   2.199  -5.281   0.070
  374    H    SER  47           H        SER  47  -4.281 -10.151  -2.177
  375    HA   SER  47           HA       SER  47  -3.269 -10.920   0.394
  376   1HB   SER  47          2HB       SER  47  -5.661 -11.318  -1.295
  377   2HB   SER  47          1HB       SER  47  -5.381 -12.597  -0.118
  378    HG   SER  47           HG       SER  47  -6.404 -10.208   0.298
  379    H    GLU  48           H        GLU  48  -2.727 -12.292  -2.727
  380    HA   GLU  48           HA       GLU  48  -2.091 -14.977  -1.620
  381   1HB   GLU  48          2HB       GLU  48  -2.688 -13.749  -4.293
  382   2HB   GLU  48          1HB       GLU  48  -1.772 -15.254  -4.234
  383   1HG   GLU  48          2HG       GLU  48  -3.645 -16.089  -2.646
  384   2HG   GLU  48          1HG       GLU  48  -4.578 -14.731  -3.273
  385    H    GLN  49           H        GLN  49  -0.570 -12.007  -2.411
  386    HA   GLN  49           HA       GLN  49   1.943 -13.026  -3.415
  387   1HB   GLN  49          2HB       GLN  49   0.675 -10.520  -2.842
  388   2HB   GLN  49          1HB       GLN  49   2.212 -10.532  -1.989
  389   1HG   GLN  49          2HG       GLN  49   2.484  -9.628  -4.255
  390   2HG   GLN  49          1HG       GLN  49   3.373 -11.140  -4.082
  391   1HE2  GLN  49          1HE2      GLN  49   0.153  -9.941  -5.190
  392   2HE2  GLN  49          2HE2      GLN  49  -0.019 -11.103  -6.415
  393    H    SER  50           H        SER  50   3.818 -13.497  -2.235
  394    HA   SER  50           HA       SER  50   3.413 -14.061   0.654
  395   1HB   SER  50          2HB       SER  50   5.423 -15.475   0.311
  396   2HB   SER  50          1HB       SER  50   4.191 -15.836  -0.895
  397    HG   SER  50           HG       SER  50   5.847 -15.494  -2.183
  398    H    ALA  51           H        ALA  51   6.726 -13.606  -0.219
  399    HA   ALA  51           HA       ALA  51   6.722 -10.980   1.205
  400   1HB   ALA  51          1HB       ALA  51   8.022 -12.669   2.305
  401   2HB   ALA  51          2HB       ALA  51   9.188 -11.634   1.481
  402   3HB   ALA  51          3HB       ALA  51   8.749 -13.193   0.785
  403    H    LYS  52           H        LYS  52   7.466 -12.544  -1.835
  404    HA   LYS  52           HA       LYS  52   9.373 -10.790  -2.973
  405   1HB   LYS  52          2HB       LYS  52   8.209 -13.007  -3.772
  406   2HB   LYS  52          1HB       LYS  52   7.060 -11.909  -4.538
  407   1HG   LYS  52          2HG       LYS  52   8.727 -12.318  -6.190
  408   2HG   LYS  52          1HG       LYS  52   9.100 -10.721  -5.541
  409   1HD   LYS  52          2HD       LYS  52  10.895 -11.547  -4.232
  410   2HD   LYS  52          1HD       LYS  52  10.359 -13.218  -4.402
  411   1HE   LYS  52          2HE       LYS  52  12.231 -12.955  -5.900
  412   2HE   LYS  52          1HE       LYS  52  10.782 -12.938  -6.926
  413   1HZ   LYS  52          1HZ       LYS  52  10.749 -10.510  -6.736
  414   2HZ   LYS  52          2HZ       LYS  52  12.187 -11.056  -7.458
  415   3HZ   LYS  52          3HZ       LYS  52  12.184 -10.554  -5.834
  416    H    ASP  53           H        ASP  53   5.789 -10.570  -3.188
  417    HA   ASP  53           HA       ASP  53   6.122  -7.650  -3.799
  418   1HB   ASP  53          2HB       ASP  53   4.549  -9.844  -5.049
  419   2HB   ASP  53          1HB       ASP  53   3.760  -8.269  -4.926
  420    H    LYS  54           H        LYS  54   5.963  -7.979  -1.266
  421    HA   LYS  54           HA       LYS  54   3.399  -6.939  -0.426
  422   1HB   LYS  54          2HB       LYS  54   3.467  -9.626  -0.729
  423   2HB   LYS  54          1HB       LYS  54   3.990  -9.490   0.940
  424   1HG   LYS  54          2HG       LYS  54   1.972  -7.889   1.225
  425   2HG   LYS  54          1HG       LYS  54   1.412  -8.542  -0.309
  426   1HD   LYS  54          2HD       LYS  54   0.369  -9.974   1.191
  427   2HD   LYS  54          1HD       LYS  54   1.855 -10.857   0.848
  428   1HE   LYS  54          2HE       LYS  54   1.755 -10.890   3.213
  429   2HE   LYS  54          1HE       LYS  54   2.823  -9.510   2.886
  430   1HZ   LYS  54          1HZ       LYS  54   0.910  -8.045   2.941
  431   2HZ   LYS  54          2HZ       LYS  54   1.026  -8.900   4.405
  432   3HZ   LYS  54          3HZ       LYS  54  -0.124  -9.356   3.241
  433    H    GLN  55           H        GLN  55   6.511  -8.366   0.499
  434    HA   GLN  55           HA       GLN  55   6.470  -7.328   3.223
  435   1HB   GLN  55          2HB       GLN  55   8.278  -8.816   1.393
  436   2HB   GLN  55          1HB       GLN  55   9.062  -7.924   2.699
  437   1HG   GLN  55          2HG       GLN  55   6.759  -9.855   3.103
  438   2HG   GLN  55          1HG       GLN  55   8.456 -10.278   3.326
  439   1HE2  GLN  55          1HE2      GLN  55   5.714  -8.838   4.853
  440   2HE2  GLN  55          2HE2      GLN  55   6.508  -8.276   6.244
  441    HA   PRO  56           HA       PRO  56   9.527  -4.096   1.489
  442   1HB   PRO  56          2HB       PRO  56   9.811  -3.842  -1.220
  443   2HB   PRO  56          1HB       PRO  56  10.817  -4.927  -0.238
  444   1HG   PRO  56          2HG       PRO  56   8.476  -5.554  -1.959
  445   2HG   PRO  56          1HG       PRO  56   9.966  -6.473  -1.700
  446   1HD   PRO  56          2HD       PRO  56   7.580  -7.074  -0.531
  447   2HD   PRO  56          1HD       PRO  56   9.155  -7.502   0.170
  448    H    TYR  57           H        TYR  57   6.405  -4.729   0.189
  449    HA   TYR  57           HA       TYR  57   5.966  -1.942  -0.713
  450   1HB   TYR  57          2HB       TYR  57   4.418  -4.537  -0.737
  451   2HB   TYR  57          1HB       TYR  57   3.656  -3.010  -1.186
  452    HD1  TYR  57           1HD      TYR  57   5.065  -5.793  -2.586
  453    HD2  TYR  57           2HD      TYR  57   5.469  -1.521  -2.720
  454    HE1  TYR  57           1HE      TYR  57   6.066  -5.958  -4.850
  455    HE2  TYR  57           2HE      TYR  57   6.470  -1.685  -4.982
  456    HH   TYR  57           HH       TYR  57   6.262  -4.374  -6.891
  457    H    GLU  58           H        GLU  58   5.096  -4.136   1.924
  458    HA   GLU  58           HA       GLU  58   3.170  -2.273   3.114
  459   1HB   GLU  58          2HB       GLU  58   3.025  -4.007   4.839
  460   2HB   GLU  58          1HB       GLU  58   3.013  -4.758   3.247
  461   1HG   GLU  58          2HG       GLU  58   5.381  -5.330   3.455
  462   2HG   GLU  58          1HG       GLU  58   5.480  -4.473   4.986
  463    H    GLN  59           H        GLN  59   6.579  -3.081   3.520
  464    HA   GLN  59           HA       GLN  59   6.972  -1.703   6.040
  465   1HB   GLN  59          2HB       GLN  59   8.736  -2.643   3.767
  466   2HB   GLN  59          1HB       GLN  59   9.406  -1.832   5.184
  467   1HG   GLN  59          2HG       GLN  59   8.309  -3.541   6.635
  468   2HG   GLN  59          1HG       GLN  59   7.769  -4.384   5.181
  469   1HE2  GLN  59          1HE2      GLN  59   9.247  -5.814   4.207
  470   2HE2  GLN  59          2HE2      GLN  59  10.878  -5.953   4.655
  471    H    LYS  60           H        LYS  60   8.238  -0.812   2.812
  472    HA   LYS  60           HA       LYS  60   8.937   1.839   3.286
  473   1HB   LYS  60          2HB       LYS  60   9.334   0.470   1.242
  474   2HB   LYS  60          1HB       LYS  60   7.641   0.688   0.798
  475   1HG   LYS  60          2HG       LYS  60   8.406   3.280   1.251
  476   2HG   LYS  60          1HG       LYS  60   9.897   2.589   0.614
  477   1HD   LYS  60          2HD       LYS  60   8.575   1.659  -1.308
  478   2HD   LYS  60          1HD       LYS  60   7.167   2.535  -0.703
  479   1HE   LYS  60          2HE       LYS  60   7.970   4.160  -2.138
  480   2HE   LYS  60          1HE       LYS  60   8.982   4.557  -0.735
  481   1HZ   LYS  60          1HZ       LYS  60   9.694   2.643  -2.896
  482   2HZ   LYS  60          2HZ       LYS  60  10.653   3.009  -1.542
  483   3HZ   LYS  60          3HZ       LYS  60  10.341   4.201  -2.713
  484    H    ALA  61           H        ALA  61   5.659   0.580   3.037
  485    HA   ALA  61           HA       ALA  61   4.514   3.291   2.648
  486   1HB   ALA  61          1HB       ALA  61   2.614   2.136   2.012
  487   2HB   ALA  61          2HB       ALA  61   2.882   0.848   3.185
  488   3HB   ALA  61          3HB       ALA  61   3.815   0.886   1.689
  489    H    ALA  62           H        ALA  62   4.737   0.714   5.084
  490    HA   ALA  62           HA       ALA  62   2.993   1.885   7.047
  491   1HB   ALA  62          1HB       ALA  62   4.367   0.363   8.573
  492   2HB   ALA  62          2HB       ALA  62   5.355  -0.012   7.160
  493   3HB   ALA  62          3HB       ALA  62   3.641  -0.429   7.174
  494    H    LYS  63           H        LYS  63   6.448   2.273   6.350
  495    HA   LYS  63           HA       LYS  63   6.987   3.939   8.691
  496   1HB   LYS  63          2HB       LYS  63   8.579   2.427   7.367
  497   2HB   LYS  63          1HB       LYS  63   8.584   3.685   6.131
  498   1HG   LYS  63          2HG       LYS  63   9.231   5.316   7.990
  499   2HG   LYS  63          1HG       LYS  63   9.532   3.896   8.993
  500   1HD   LYS  63          2HD       LYS  63  10.776   4.186   6.258
  501   2HD   LYS  63          1HD       LYS  63  11.542   4.861   7.696
  502   1HE   LYS  63          2HE       LYS  63  11.549   2.622   8.753
  503   2HE   LYS  63          1HE       LYS  63  10.794   1.940   7.298
  504   1HZ   LYS  63          1HZ       LYS  63  12.638   2.779   5.984
  505   2HZ   LYS  63          2HZ       LYS  63  13.211   1.744   7.202
  506   3HZ   LYS  63          3HZ       LYS  63  13.367   3.427   7.371
  507    H    LEU  64           H        LEU  64   7.085   4.663   5.180
  508    HA   LEU  64           HA       LEU  64   7.256   7.453   5.274
  509   1HB   LEU  64          2HB       LEU  64   6.093   5.424   3.411
  510   2HB   LEU  64          1HB       LEU  64   5.775   7.126   3.077
  511    HG   LEU  64           HG       LEU  64   8.543   5.990   3.559
  512   1HD1  LEU  64          1HD1      LEU  64   8.847   6.203   1.120
  513   2HD1  LEU  64          2HD1      LEU  64   7.164   6.702   0.950
  514   3HD1  LEU  64          3HD1      LEU  64   7.550   5.068   1.491
  515   1HD2  LEU  64          1HD2      LEU  64   8.572   8.308   4.037
  516   2HD2  LEU  64          2HD2      LEU  64   7.430   8.676   2.744
  517   3HD2  LEU  64          3HD2      LEU  64   9.089   8.219   2.353
  518    H    LYS  65           H        LYS  65   4.460   5.441   5.944
  519    HA   LYS  65           HA       LYS  65   2.441   7.509   5.719
  520   1HB   LYS  65          2HB       LYS  65   2.025   5.054   5.654
  521   2HB   LYS  65          1HB       LYS  65   2.536   4.936   7.337
  522   1HG   LYS  65          2HG       LYS  65   0.695   6.295   8.077
  523   2HG   LYS  65          1HG       LYS  65   0.267   6.716   6.418
  524   1HD   LYS  65          2HD       LYS  65  -1.273   5.017   6.957
  525   2HD   LYS  65          1HD       LYS  65  -0.013   4.158   6.070
  526   1HE   LYS  65          2HE       LYS  65   0.952   3.291   8.084
  527   2HE   LYS  65          1HE       LYS  65  -0.006   4.391   9.094
  528   1HZ   LYS  65          1HZ       LYS  65  -1.039   2.208   9.005
  529   2HZ   LYS  65          2HZ       LYS  65  -1.093   2.277   7.308
  530   3HZ   LYS  65          3HZ       LYS  65  -2.022   3.356   8.236
  531    H    GLU  66           H        GLU  66   4.234   6.067   8.441
  532    HA   GLU  66           HA       GLU  66   3.152   7.627  10.561
  533   1HB   GLU  66          2HB       GLU  66   5.838   6.322  10.060
  534   2HB   GLU  66          1HB       GLU  66   5.436   7.073  11.605
  535   1HG   GLU  66          2HG       GLU  66   3.550   5.583  11.909
  536   2HG   GLU  66          1HG       GLU  66   3.762   4.917  10.290
  537    H    LYS  67           H        LYS  67   5.896   8.290   8.386
  538    HA   LYS  67           HA       LYS  67   6.613  10.810   9.667
  539   1HB   LYS  67          2HB       LYS  67   7.903   9.071   8.107
  540   2HB   LYS  67          1HB       LYS  67   7.305  10.133   6.833
  541   1HG   LYS  67          2HG       LYS  67   8.298  12.079   8.010
  542   2HG   LYS  67          1HG       LYS  67   8.936  10.991   9.242
  543   1HD   LYS  67          2HD       LYS  67   9.558  10.592   6.315
  544   2HD   LYS  67          1HD       LYS  67  10.530  11.661   7.327
  545   1HE   LYS  67          2HE       LYS  67   9.947   8.854   8.256
  546   2HE   LYS  67          1HE       LYS  67  11.271   9.161   7.115
  547   1HZ   LYS  67          1HZ       LYS  67  10.863  10.527   9.724
  548   2HZ   LYS  67          2HZ       LYS  67  12.094  10.888   8.612
  549   3HZ   LYS  67          3HZ       LYS  67  12.061   9.376   9.385
  550    H    TYR  68           H        TYR  68   4.366   9.825   7.166
  551    HA   TYR  68           HA       TYR  68   4.032  12.350   5.827
  552   1HB   TYR  68          2HB       TYR  68   3.001   9.699   5.760
  553   2HB   TYR  68          1HB       TYR  68   1.614  10.756   5.953
  554    HD1  TYR  68           1HD      TYR  68   4.240   9.614   3.728
  555    HD2  TYR  68           2HD      TYR  68   1.232  12.624   4.308
  556    HE1  TYR  68           1HE      TYR  68   4.396  10.228   1.330
  557    HE2  TYR  68           2HE      TYR  68   1.386  13.240   1.909
  558    HH   TYR  68           HH       TYR  68   3.860  12.491  -0.023
  559    H    GLU  69           H        GLU  69   2.187  10.784   8.428
  560    HA   GLU  69           HA       GLU  69   0.238  12.738   8.962
  561   1HB   GLU  69          2HB       GLU  69   1.793  10.988  10.898
  562   2HB   GLU  69          1HB       GLU  69   0.225  11.727  11.229
  563   1HG   GLU  69          2HG       GLU  69  -0.528  10.517   9.038
  564   2HG   GLU  69          1HG       GLU  69   0.900   9.516   9.300
  565    H    LYS  70           H        LYS  70   3.619  12.642  10.006
  566    HA   LYS  70           HA       LYS  70   3.400  15.057  11.669
  567   1HB   LYS  70          2HB       LYS  70   5.387  12.995  10.917
  568   2HB   LYS  70          1HB       LYS  70   6.073  14.595  11.194
  569   1HG   LYS  70          2HG       LYS  70   6.100  13.768  13.357
  570   2HG   LYS  70          1HG       LYS  70   4.506  14.525  13.336
  571   1HD   LYS  70          2HD       LYS  70   3.933  12.429  14.132
  572   2HD   LYS  70          1HD       LYS  70   3.775  12.146  12.398
  573   1HE   LYS  70          2HE       LYS  70   5.108  10.325  13.140
  574   2HE   LYS  70          1HE       LYS  70   6.305  11.479  12.521
  575   1HZ   LYS  70          1HZ       LYS  70   6.833  10.690  14.785
  576   2HZ   LYS  70          2HZ       LYS  70   5.376  11.363  15.341
  577   3HZ   LYS  70          3HZ       LYS  70   6.596  12.368  14.718
  578    H    ASP  71           H        ASP  71   4.534  14.124   8.474
  579    HA   ASP  71           HA       ASP  71   5.671  16.630   7.641
  580   1HB   ASP  71          2HB       ASP  71   4.747  14.070   6.488
  581   2HB   ASP  71          1HB       ASP  71   4.678  15.423   5.368
  582    H    ILE  72           H        ILE  72   2.482  15.189   6.923
  583    HA   ILE  72           HA       ILE  72   1.277  17.415   5.659
  584    HB   ILE  72           HB       ILE  72   0.398  14.974   7.171
  585   1HG1  ILE  72          2HG1      ILE  72   1.124  14.876   4.815
  586   2HG1  ILE  72          1HG1      ILE  72  -0.562  14.399   4.996
  587   1HG2  ILE  72          1HG2      ILE  72  -1.382  16.350   7.920
  588   2HG2  ILE  72          2HG2      ILE  72  -2.018  15.578   6.467
  589   3HG2  ILE  72          3HG2      ILE  72  -1.444  17.244   6.400
  590   1HD1  ILE  72          1HD1      ILE  72   0.546  16.979   3.887
  591   2HD1  ILE  72          2HD1      ILE  72  -1.117  16.873   4.458
  592   3HD1  ILE  72          3HD1      ILE  72  -0.575  15.852   3.128
  593    H    ALA  73           H        ALA  73   1.297  16.559   9.137
  594    HA   ALA  73           HA       ALA  73  -0.325  18.664  10.127
  595   1HB   ALA  73          1HB       ALA  73   0.499  16.704  11.402
  596   2HB   ALA  73          2HB       ALA  73   0.876  18.209  12.243
  597   3HB   ALA  73          3HB       ALA  73   2.135  17.361  11.346
  598    H    ALA  74           H        ALA  74   3.256  18.608   9.874
  599    HA   ALA  74           HA       ALA  74   3.588  21.382  10.607
  600   1HB   ALA  74          1HB       ALA  74   5.284  19.551  10.803
  601   2HB   ALA  74          2HB       ALA  74   5.904  20.956   9.936
  602   3HB   ALA  74          3HB       ALA  74   5.406  19.518   9.045
  603    H    TYR  75           H        TYR  75   3.251  19.681   7.512
  604    HA   TYR  75           HA       TYR  75   3.823  22.072   5.916
  605   1HB   TYR  75          2HB       TYR  75   4.082  19.466   5.459
  606   2HB   TYR  75          1HB       TYR  75   2.434  19.643   4.855
  607    HD1  TYR  75           1HD      TYR  75   1.947  21.309   3.037
  608    HD2  TYR  75           2HD      TYR  75   5.951  20.339   4.252
  609    HE1  TYR  75           1HE      TYR  75   2.824  22.303   0.941
  610    HE2  TYR  75           2HE      TYR  75   6.828  21.331   2.157
  611    HH   TYR  75           HH       TYR  75   5.693  21.719  -0.308
  612    H    ARG  76           H        ARG  76   1.094  21.053   7.668
  613    HA   ARG  76           HA       ARG  76  -1.013  21.851   5.853
  614   1HB   ARG  76          2HB       ARG  76  -1.283  20.287   7.760
  615   2HB   ARG  76          1HB       ARG  76  -0.913  21.598   8.880
  616   1HG   ARG  76          2HG       ARG  76  -2.917  22.728   8.416
  617   2HG   ARG  76          1HG       ARG  76  -3.148  21.887   6.882
  618   1HD   ARG  76          2HD       ARG  76  -3.181  20.401   9.522
  619   2HD   ARG  76          1HD       ARG  76  -4.649  21.112   8.823
  620    HE   ARG  76           HE       ARG  76  -3.047  19.455   6.984
  621   1HH1  ARG  76          1HH1      ARG  76  -6.132  20.278   7.489
  622   2HH1  ARG  76          2HH1      ARG  76  -6.789  18.679   7.596
  623   1HH2  ARG  76          1HH2      ARG  76  -3.694  17.136   7.851
  624   2HH2  ARG  76          2HH2      ARG  76  -5.409  16.900   7.801
  625    H    ALA  77           H        ALA  77   0.491  23.903   5.432
  626    HA   ALA  77           HA       ALA  77   0.662  26.255   5.512
  627   1HB   ALA  77          1HB       ALA  77  -1.386  27.333   5.885
  628   2HB   ALA  77          2HB       ALA  77  -1.825  26.251   7.206
  629   3HB   ALA  77          3HB       ALA  77  -1.910  25.686   5.538
  630    H    LYS  78           H        LYS  78   2.425  25.337   7.199
  631    HA   LYS  78           HA       LYS  78   2.128  25.714  10.002
  632   1HB   LYS  78          2HB       LYS  78   4.053  24.823   8.341
  633   2HB   LYS  78          1HB       LYS  78   4.698  26.432   8.667
  634   1HG   LYS  78          2HG       LYS  78   4.601  26.016  11.076
  635   2HG   LYS  78          1HG       LYS  78   3.872  24.435  10.794
  636   1HD   LYS  78          2HD       LYS  78   5.846  23.525   9.944
  637   2HD   LYS  78          1HD       LYS  78   6.497  25.102   9.497
  638   1HE   LYS  78          2HE       LYS  78   6.929  25.660  11.817
  639   2HE   LYS  78          1HE       LYS  78   6.089  24.196  12.368
  640   1HZ   LYS  78          1HZ       LYS  78   8.495  24.266  10.621
  641   2HZ   LYS  78          2HZ       LYS  78   7.670  22.862  11.107
  642   3HZ   LYS  78          3HZ       LYS  78   8.476  23.818  12.257
  Start of MODEL   16
    1   1H    MET   1          1HT       MET   1  -7.965  19.275  -8.041
    2   2H    MET   1          2HT       MET   1  -9.626  19.019  -7.790
    3   3H    MET   1          3HT       MET   1  -8.700  17.856  -8.614
    4    HA   MET   1           HA       MET   1  -8.402  18.594  -5.744
    5   1HB   MET   1          2HB       MET   1 -10.466  17.323  -6.645
    6   2HB   MET   1          1HB       MET   1  -9.343  16.006  -6.989
    7   1HG   MET   1          2HG       MET   1  -8.653  15.959  -4.629
    8   2HG   MET   1          1HG       MET   1  -9.744  17.297  -4.275
    9   1HE   MET   1          1HE       MET   1 -10.203  15.357  -2.397
   10   2HE   MET   1          2HE       MET   1 -11.865  14.783  -2.512
   11   3HE   MET   1          3HE       MET   1 -11.518  16.500  -2.703
   12    H    LYS   2           H        LYS   2  -6.127  18.657  -5.680
   13    HA   LYS   2           HA       LYS   2  -4.733  16.089  -5.927
   14   1HB   LYS   2          2HB       LYS   2  -4.956  17.140  -8.262
   15   2HB   LYS   2          1HB       LYS   2  -3.848  18.387  -7.686
   16   1HG   LYS   2          2HG       LYS   2  -2.104  16.797  -7.307
   17   2HG   LYS   2          1HG       LYS   2  -3.210  15.436  -7.499
   18   1HD   LYS   2          2HD       LYS   2  -3.466  15.865  -9.847
   19   2HD   LYS   2          1HD       LYS   2  -2.631  17.415  -9.715
   20   1HE   LYS   2          2HE       LYS   2  -0.522  16.368  -9.337
   21   2HE   LYS   2          1HE       LYS   2  -1.278  14.797  -9.007
   22   1HZ   LYS   2          1HZ       LYS   2  -1.408  16.268 -11.586
   23   2HZ   LYS   2          2HZ       LYS   2  -2.142  14.771 -11.262
   24   3HZ   LYS   2          3HZ       LYS   2  -0.449  14.903 -11.285
   25    H    LYS   3           H        LYS   3  -2.525  16.246  -5.068
   26    HA   LYS   3           HA       LYS   3  -2.228  18.470  -3.121
   27   1HB   LYS   3          2HB       LYS   3  -2.077  15.995  -2.568
   28   2HB   LYS   3          1HB       LYS   3  -0.582  15.953  -3.503
   29   1HG   LYS   3          2HG       LYS   3   0.132  16.305  -1.271
   30   2HG   LYS   3          1HG       LYS   3   0.195  17.905  -2.009
   31   1HD   LYS   3          2HD       LYS   3  -0.931  18.319   0.007
   32   2HD   LYS   3          1HD       LYS   3  -2.256  18.137  -1.144
   33   1HE   LYS   3          2HE       LYS   3  -2.845  16.019  -0.339
   34   2HE   LYS   3          1HE       LYS   3  -1.227  15.717   0.326
   35   1HZ   LYS   3          1HZ       LYS   3  -2.804  16.315   2.077
   36   2HZ   LYS   3          2HZ       LYS   3  -3.127  17.789   1.295
   37   3HZ   LYS   3          3HZ       LYS   3  -1.581  17.481   1.930
   38    H    ASP   4           H        ASP   4  -0.470  19.891  -3.165
   39    HA   ASP   4           HA       ASP   4   0.931  20.218  -5.719
   40   1HB   ASP   4          2HB       ASP   4   0.541  21.661  -3.145
   41   2HB   ASP   4          1HB       ASP   4   2.014  22.042  -4.035
   42    HA   PRO   5           HA       PRO   5   4.730  18.263  -4.647
   43   1HB   PRO   5          2HB       PRO   5   6.664  20.040  -5.419
   44   2HB   PRO   5          1HB       PRO   5   5.695  19.103  -6.574
   45   1HG   PRO   5          2HG       PRO   5   5.394  21.937  -5.712
   46   2HG   PRO   5          1HG       PRO   5   5.193  21.217  -7.317
   47   1HD   PRO   5          2HD       PRO   5   3.104  21.873  -5.699
   48   2HD   PRO   5          1HD       PRO   5   3.038  20.565  -6.900
   49    H    ASN   6           H        ASN   6   4.223  21.509  -3.403
   50    HA   ASN   6           HA       ASN   6   6.398  21.714  -1.572
   51   1HB   ASN   6          2HB       ASN   6   3.550  22.751  -1.568
   52   2HB   ASN   6          1HB       ASN   6   4.759  23.269  -0.393
   53   1HD2  ASN   6          1HD2      ASN   6   3.656  23.665  -3.676
   54   2HD2  ASN   6          2HD2      ASN   6   4.848  24.774  -4.157
   55    H    ALA   7           H        ALA   7   3.309  20.007  -1.347
   56    HA   ALA   7           HA       ALA   7   3.463  19.456   1.502
   57   1HB   ALA   7          1HB       ALA   7   1.346  19.446   0.345
   58   2HB   ALA   7          2HB       ALA   7   1.663  17.785   0.849
   59   3HB   ALA   7          3HB       ALA   7   1.932  18.265  -0.827
   60    HA   PRO   8           HA       PRO   8   6.173  16.023   1.276
   61   1HB   PRO   8          2HB       PRO   8   5.593  14.795   3.642
   62   2HB   PRO   8          1HB       PRO   8   6.611  16.234   3.459
   63   1HG   PRO   8          2HG       PRO   8   3.948  16.012   4.579
   64   2HG   PRO   8          1HG       PRO   8   5.128  17.312   4.637
   65   1HD   PRO   8          2HD       PRO   8   2.788  17.155   2.990
   66   2HD   PRO   8          1HD       PRO   8   3.937  18.494   3.171
   67    H    LYS   9           H        LYS   9   4.500  15.332  -0.499
   68    HA   LYS   9           HA       LYS   9   3.313  13.609  -1.578
   69   1HB   LYS   9          2HB       LYS   9   4.926  12.139   0.522
   70   2HB   LYS   9          1HB       LYS   9   4.113  11.349  -0.832
   71   1HG   LYS   9          2HG       LYS   9   6.035  13.634  -1.278
   72   2HG   LYS   9          1HG       LYS   9   6.605  11.970  -1.143
   73   1HD   LYS   9          2HD       LYS   9   5.532  11.298  -3.099
   74   2HD   LYS   9          1HD       LYS   9   4.336  12.591  -3.006
   75   1HE   LYS   9          2HE       LYS   9   6.263  14.228  -3.418
   76   2HE   LYS   9          1HE       LYS   9   7.239  12.808  -3.846
   77   1HZ   LYS   9          1HZ       LYS   9   6.066  13.768  -5.776
   78   2HZ   LYS   9          2HZ       LYS   9   4.582  13.445  -5.015
   79   3HZ   LYS   9          3HZ       LYS   9   5.605  12.166  -5.465
   80    H    ARG  10           H        ARG  10   1.911  11.527  -1.052
   81    HA   ARG  10           HA       ARG  10   0.010  12.296   1.125
   82   1HB   ARG  10          2HB       ARG  10  -0.321  10.508  -1.311
   83   2HB   ARG  10          1HB       ARG  10  -1.613  11.053  -0.242
   84   1HG   ARG  10          2HG       ARG  10  -0.687  13.453  -0.870
   85   2HG   ARG  10          1HG       ARG  10  -0.057  12.605  -2.283
   86   1HD   ARG  10          2HD       ARG  10  -2.202  13.286  -3.005
   87   2HD   ARG  10          1HD       ARG  10  -2.501  11.628  -2.446
   88    HE   ARG  10           HE       ARG  10  -2.978  14.040  -0.732
   89   1HH1  ARG  10          1HH1      ARG  10  -5.013  12.257  -2.387
   90   2HH1  ARG  10          2HH1      ARG  10  -5.756  11.407  -1.074
   91   1HH2  ARG  10          1HH2      ARG  10  -3.342  12.331   1.237
   92   2HH2  ARG  10          2HH2      ARG  10  -4.810  11.449   0.979
   93    HA   PRO  11           HA       PRO  11   0.967   8.540   3.263
   94   1HB   PRO  11          2HB       PRO  11  -1.458   7.779   4.272
   95   2HB   PRO  11          1HB       PRO  11  -0.539   9.158   4.908
   96   1HG   PRO  11          2HG       PRO  11  -2.876   9.128   3.072
   97   2HG   PRO  11          1HG       PRO  11  -2.477  10.258   4.374
   98   1HD   PRO  11          2HD       PRO  11  -2.086  10.789   1.718
   99   2HD   PRO  11          1HD       PRO  11  -1.148  11.538   3.029
  100    HA   PRO  12           HA       PRO  12  -0.399   5.672   0.030
  101   1HB   PRO  12          2HB       PRO  12   1.857   4.133  -0.014
  102   2HB   PRO  12          1HB       PRO  12   1.740   5.697  -0.842
  103   1HG   PRO  12          2HG       PRO  12   3.194   4.973   1.593
  104   2HG   PRO  12          1HG       PRO  12   3.458   6.317   0.480
  105   1HD   PRO  12          2HD       PRO  12   2.176   6.384   3.024
  106   2HD   PRO  12          1HD       PRO  12   2.370   7.717   1.869
  107    H    SER  13           H        SER  13  -1.118   3.502   0.075
  108    HA   SER  13           HA       SER  13  -0.991   2.130   2.745
  109   1HB   SER  13          2HB       SER  13  -3.189   3.052   1.637
  110   2HB   SER  13          1HB       SER  13  -3.043   1.647   0.585
  111    HG   SER  13           HG       SER  13  -3.418   1.781   3.375
  112    H    ALA  14           H        ALA  14  -0.695  -0.248   2.623
  113    HA   ALA  14           HA       ALA  14   1.232  -1.157   0.742
  114   1HB   ALA  14          1HB       ALA  14   0.426  -2.075   3.037
  115   2HB   ALA  14          2HB       ALA  14   0.939  -3.236   1.813
  116   3HB   ALA  14          3HB       ALA  14  -0.779  -2.949   2.091
  117    H    PHE  15           H        PHE  15  -2.294  -1.817   0.825
  118    HA   PHE  15           HA       PHE  15  -2.434  -3.288  -1.620
  119   1HB   PHE  15          2HB       PHE  15  -4.197  -3.136   0.133
  120   2HB   PHE  15          1HB       PHE  15  -4.472  -1.452  -0.310
  121    HD1  PHE  15           1HD      PHE  15  -6.366  -1.123  -1.615
  122    HD2  PHE  15           2HD      PHE  15  -4.041  -4.693  -2.169
  123    HE1  PHE  15           1HE      PHE  15  -7.905  -1.846  -3.423
  124    HE2  PHE  15           2HE      PHE  15  -5.580  -5.415  -3.975
  125    HZ   PHE  15           HZ       PHE  15  -7.511  -3.991  -4.603
  126    H    PHE  16           H        PHE  16  -2.141   0.148  -0.977
  127    HA   PHE  16           HA       PHE  16  -3.058   1.060  -3.578
  128   1HB   PHE  16          2HB       PHE  16  -2.852   2.293  -1.295
  129   2HB   PHE  16          1HB       PHE  16  -1.155   2.503  -1.727
  130    HD1  PHE  16           1HD      PHE  16  -4.596   3.514  -2.423
  131    HD2  PHE  16           2HD      PHE  16  -0.526   3.776  -3.772
  132    HE1  PHE  16           1HE      PHE  16  -5.203   5.426  -3.881
  133    HE2  PHE  16           2HE      PHE  16  -1.133   5.688  -5.230
  134    HZ   PHE  16           HZ       PHE  16  -3.470   6.513  -5.284
  135    H    LEU  17           H        LEU  17   0.095   0.178  -2.181
  136    HA   LEU  17           HA       LEU  17   1.711   1.090  -4.400
  137   1HB   LEU  17          2HB       LEU  17   1.956  -0.858  -2.115
  138   2HB   LEU  17          1HB       LEU  17   3.205  -0.842  -3.363
  139    HG   LEU  17           HG       LEU  17   3.271   1.711  -2.993
  140   1HD1  LEU  17          1HD1      LEU  17   2.589   2.425  -0.728
  141   2HD1  LEU  17          2HD1      LEU  17   1.887   0.832  -0.454
  142   3HD1  LEU  17          3HD1      LEU  17   1.208   1.895  -1.687
  143   1HD2  LEU  17          1HD2      LEU  17   4.629   1.361  -0.818
  144   2HD2  LEU  17          2HD2      LEU  17   5.155   0.502  -2.267
  145   3HD2  LEU  17          3HD2      LEU  17   4.236  -0.345  -1.022
  146    H    PHE  18           H        PHE  18   1.144  -2.284  -3.509
  147    HA   PHE  18           HA       PHE  18   1.587  -3.714  -5.793
  148   1HB   PHE  18          2HB       PHE  18   0.768  -4.720  -3.742
  149   2HB   PHE  18          1HB       PHE  18  -0.784  -3.902  -3.903
  150    HD1  PHE  18           1HD      PHE  18   1.453  -6.352  -5.647
  151    HD2  PHE  18           2HD      PHE  18  -2.558  -4.954  -5.017
  152    HE1  PHE  18           1HE      PHE  18   0.579  -8.264  -6.962
  153    HE2  PHE  18           2HE      PHE  18  -3.432  -6.865  -6.330
  154    HZ   PHE  18           HZ       PHE  18  -1.866  -8.522  -7.302
  155    H    CYS  19           H        CYS  19  -1.660  -2.198  -5.213
  156    HA   CYS  19           HA       CYS  19  -2.672  -2.739  -7.831
  157   1HB   CYS  19          2HB       CYS  19  -3.999  -2.145  -5.812
  158   2HB   CYS  19          1HB       CYS  19  -3.333  -0.513  -5.874
  159    HG   CYS  19           HG       CYS  19  -5.568  -0.380  -7.167
  160    H    SER  20           H        SER  20  -1.048   0.139  -6.489
  161    HA   SER  20           HA       SER  20  -1.265   1.857  -8.736
  162   1HB   SER  20          2HB       SER  20   0.681   1.521  -6.468
  163   2HB   SER  20          1HB       SER  20   0.989   2.729  -7.711
  164    HG   SER  20           HG       SER  20  -1.222   2.492  -5.959
  165    H    GLU  21           H        GLU  21   1.040  -0.779  -8.104
  166    HA   GLU  21           HA       GLU  21   2.613  -0.106 -10.509
  167   1HB   GLU  21          2HB       GLU  21   3.984  -2.025  -9.753
  168   2HB   GLU  21          1HB       GLU  21   3.691  -0.888  -8.440
  169   1HG   GLU  21          2HG       GLU  21   2.120  -2.304  -7.402
  170   2HG   GLU  21          1HG       GLU  21   1.877  -3.257  -8.865
  171    H    HIS  22           H        HIS  22   0.025  -2.329  -9.603
  172    HA   HIS  22           HA       HIS  22   0.354  -3.827 -12.160
  173   1HB   HIS  22          2HB       HIS  22  -1.237  -4.210  -9.613
  174   2HB   HIS  22          1HB       HIS  22  -1.449  -5.244 -11.025
  175    HD1  HIS  22           1HD      HIS  22   1.032  -6.213 -11.954
  176    HD2  HIS  22           2HD      HIS  22   0.694  -5.195  -7.928
  177    HE1  HIS  22           1HE      HIS  22   2.920  -7.401 -10.755
  178    H    ARG  23           H        ARG  23  -0.855  -0.968 -11.687
  179    HA   ARG  23           HA       ARG  23  -3.659  -1.349 -12.493
  180   1HB   ARG  23          2HB       ARG  23  -2.934   0.399 -10.897
  181   2HB   ARG  23          1HB       ARG  23  -1.953   1.139 -12.158
  182   1HG   ARG  23          2HG       ARG  23  -3.920   1.598 -13.503
  183   2HG   ARG  23          1HG       ARG  23  -4.944   0.714 -12.371
  184   1HD   ARG  23          2HD       ARG  23  -3.308   3.130 -11.540
  185   2HD   ARG  23          1HD       ARG  23  -4.996   3.243 -12.079
  186    HE   ARG  23           HE       ARG  23  -4.525   1.211 -10.014
  187   1HH1  ARG  23          1HH2      ARG  23  -3.846   4.219  -9.301
  188   2HH1  ARG  23          2HH2      ARG  23  -5.295   4.630  -8.447
  189   1HH2  ARG  23          1HH1      ARG  23  -7.046   1.842  -9.536
  190   2HH2  ARG  23          2HH1      ARG  23  -7.107   3.285  -8.580
  191    HA   PRO  24           HA       PRO  24  -1.969   0.489 -16.545
  192   1HB   PRO  24          2HB       PRO  24   0.721   0.487 -17.016
  193   2HB   PRO  24          1HB       PRO  24  -0.122   1.842 -16.240
  194   1HG   PRO  24          2HG       PRO  24   1.576  -0.263 -15.043
  195   2HG   PRO  24          1HG       PRO  24   1.353   1.424 -14.561
  196   1HD   PRO  24          2HD       PRO  24   0.195  -0.768 -13.333
  197   2HD   PRO  24          1HD       PRO  24  -0.355   0.911 -13.173
  198    H    LYS  25           H        LYS  25  -0.840  -2.375 -15.025
  199    HA   LYS  25           HA       LYS  25   0.035  -3.763 -17.457
  200   1HB   LYS  25          2HB       LYS  25   0.926  -4.203 -15.170
  201   2HB   LYS  25          1HB       LYS  25  -0.676  -4.747 -14.671
  202   1HG   LYS  25          2HG       LYS  25  -0.612  -6.543 -16.343
  203   2HG   LYS  25          1HG       LYS  25   0.968  -5.987 -16.896
  204   1HD   LYS  25          2HD       LYS  25   1.974  -6.501 -14.758
  205   2HD   LYS  25          1HD       LYS  25   0.398  -6.862 -14.052
  206   1HE   LYS  25          2HE       LYS  25   0.238  -8.633 -15.998
  207   2HE   LYS  25          1HE       LYS  25   2.007  -8.487 -16.006
  208   1HZ   LYS  25          1HZ       LYS  25   0.301  -9.052 -13.637
  209   2HZ   LYS  25          2HZ       LYS  25   1.982  -8.813 -13.590
  210   3HZ   LYS  25          3HZ       LYS  25   1.334 -10.154 -14.407
  211    H    ILE  26           H        ILE  26  -2.865  -3.595 -15.412
  212    HA   ILE  26           HA       ILE  26  -4.321  -5.692 -16.786
  213    HB   ILE  26           HB       ILE  26  -5.240  -3.339 -15.090
  214   1HG1  ILE  26          2HG1      ILE  26  -3.629  -4.778 -13.919
  215   2HG1  ILE  26          1HG1      ILE  26  -5.239  -4.992 -13.246
  216   1HG2  ILE  26          1HG2      ILE  26  -7.245  -4.080 -15.949
  217   2HG2  ILE  26          2HG2      ILE  26  -7.075  -5.241 -14.633
  218   3HG2  ILE  26          3HG2      ILE  26  -6.630  -5.701 -16.276
  219   1HD1  ILE  26          1HD1      ILE  26  -4.313  -7.192 -13.501
  220   2HD1  ILE  26          2HD1      ILE  26  -3.778  -6.844 -15.146
  221   3HD1  ILE  26          3HD1      ILE  26  -5.499  -6.996 -14.791
  222    H    LYS  27           H        LYS  27  -3.504  -2.472 -17.678
  223    HA   LYS  27           HA       LYS  27  -5.893  -1.949 -19.300
  224   1HB   LYS  27          2HB       LYS  27  -3.210  -0.653 -18.800
  225   2HB   LYS  27          1HB       LYS  27  -4.296  -0.038 -20.047
  226   1HG   LYS  27          2HG       LYS  27  -6.108  -0.003 -18.231
  227   2HG   LYS  27          1HG       LYS  27  -4.796  -0.231 -17.074
  228   1HD   LYS  27          2HD       LYS  27  -3.801   1.837 -17.607
  229   2HD   LYS  27          1HD       LYS  27  -4.673   1.964 -19.136
  230   1HE   LYS  27          2HE       LYS  27  -5.809   3.475 -17.681
  231   2HE   LYS  27          1HE       LYS  27  -6.821   2.017 -17.661
  232   1HZ   LYS  27          1HZ       LYS  27  -6.352   2.712 -15.406
  233   2HZ   LYS  27          2HZ       LYS  27  -4.681   2.695 -15.710
  234   3HZ   LYS  27          3HZ       LYS  27  -5.565   1.244 -15.722
  235    H    SER  28           H        SER  28  -2.855  -3.601 -19.716
  236    HA   SER  28           HA       SER  28  -2.660  -3.312 -22.607
  237   1HB   SER  28          2HB       SER  28  -1.423  -5.013 -20.451
  238   2HB   SER  28          1HB       SER  28  -1.112  -5.381 -22.144
  239    HG   SER  28           HG       SER  28   0.144  -3.646 -20.720
  240    H    GLU  29           H        GLU  29  -3.800  -5.911 -20.417
  241    HA   GLU  29           HA       GLU  29  -4.800  -7.507 -22.690
  242   1HB   GLU  29          2HB       GLU  29  -4.877  -7.837 -19.675
  243   2HB   GLU  29          1HB       GLU  29  -5.385  -9.069 -20.830
  244   1HG   GLU  29          2HG       GLU  29  -3.109  -9.042 -21.827
  245   2HG   GLU  29          1HG       GLU  29  -2.609  -7.870 -20.607
  246    H    HIS  30           H        HIS  30  -5.997  -4.819 -21.174
  247    HA   HIS  30           HA       HIS  30  -8.783  -5.513 -21.882
  248   1HB   HIS  30          2HB       HIS  30  -7.945  -4.512 -19.138
  249   2HB   HIS  30          1HB       HIS  30  -9.601  -4.762 -19.673
  250    HD1  HIS  30           1HD      HIS  30 -10.503  -7.153 -19.695
  251    HD2  HIS  30           2HD      HIS  30  -6.451  -6.955 -18.755
  252    HE1  HIS  30           1HE      HIS  30  -9.848  -9.457 -18.872
  253    HA   PRO  31           HA       PRO  31  -7.391  -1.290 -23.088
  254   1HB   PRO  31          2HB       PRO  31  -8.925  -1.196 -25.368
  255   2HB   PRO  31          1HB       PRO  31  -7.299  -1.909 -25.317
  256   1HG   PRO  31          2HG       PRO  31  -9.958  -3.262 -25.176
  257   2HG   PRO  31          1HG       PRO  31  -8.509  -3.721 -26.089
  258   1HD   PRO  31          2HD       PRO  31  -9.154  -4.924 -23.770
  259   2HD   PRO  31          1HD       PRO  31  -7.461  -4.628 -24.230
  260    H    GLY  32           H        GLY  32  -8.703  -0.825 -21.106
  261   1HA   GLY  32          2HA       GLY  32 -10.367   1.020 -20.728
  262   2HA   GLY  32          1HA       GLY  32 -11.446   0.134 -21.808
  263    H    LEU  33           H        LEU  33  -9.531  -0.494 -18.811
  264    HA   LEU  33           HA       LEU  33 -11.772  -2.210 -17.827
  265   1HB   LEU  33          2HB       LEU  33  -9.114  -2.752 -18.143
  266   2HB   LEU  33          1HB       LEU  33  -9.095  -2.088 -16.514
  267    HG   LEU  33           HG       LEU  33  -9.354  -4.578 -16.579
  268   1HD1  LEU  33          1HD1      LEU  33 -10.723  -4.592 -14.744
  269   2HD1  LEU  33          2HD1      LEU  33 -11.922  -3.535 -15.484
  270   3HD1  LEU  33          3HD1      LEU  33 -10.418  -2.859 -14.855
  271   1HD2  LEU  33          1HD2      LEU  33 -11.152  -4.088 -18.631
  272   2HD2  LEU  33          2HD2      LEU  33 -12.208  -4.478 -17.275
  273   3HD2  LEU  33          3HD2      LEU  33 -10.965  -5.622 -17.783
  274    H    SER  34           H        SER  34 -12.572  -1.664 -15.619
  275    HA   SER  34           HA       SER  34 -11.905   1.135 -14.837
  276   1HB   SER  34          2HB       SER  34 -14.119   0.826 -13.610
  277   2HB   SER  34          1HB       SER  34 -14.219   0.718 -15.364
  278    HG   SER  34           HG       SER  34 -15.288  -0.993 -14.124
  279    H    ILE  35           H        ILE  35 -12.794   1.005 -12.188
  280    HA   ILE  35           HA       ILE  35 -10.568  -0.454 -10.895
  281    HB   ILE  35           HB       ILE  35 -12.695   1.438  -9.834
  282   1HG1  ILE  35          2HG1      ILE  35 -11.267   2.496 -11.549
  283   2HG1  ILE  35          1HG1      ILE  35 -10.910   3.149  -9.952
  284   1HG2  ILE  35          1HG2      ILE  35 -10.776   1.750  -8.072
  285   2HG2  ILE  35          2HG2      ILE  35 -10.257   0.158  -8.628
  286   3HG2  ILE  35          3HG2      ILE  35 -11.864   0.368  -7.931
  287   1HD1  ILE  35          1HD1      ILE  35  -9.002   1.514  -9.786
  288   2HD1  ILE  35          2HD1      ILE  35  -8.805   2.705 -11.072
  289   3HD1  ILE  35          3HD1      ILE  35  -9.310   1.061 -11.463
  290    H    GLY  36           H        GLY  36 -13.325  -1.654 -11.955
  291   1HA   GLY  36          2HA       GLY  36 -14.283  -2.863  -9.424
  292   2HA   GLY  36          1HA       GLY  36 -15.097  -2.966 -10.986
  293    H    ASP  37           H        ASP  37 -13.639  -4.098 -12.721
  294    HA   ASP  37           HA       ASP  37 -13.172  -6.804 -11.861
  295   1HB   ASP  37          2HB       ASP  37 -12.647  -5.155 -14.328
  296   2HB   ASP  37          1HB       ASP  37 -12.056  -6.814 -14.235
  297    H    THR  38           H        THR  38 -10.897  -4.205 -12.847
  298    HA   THR  38           HA       THR  38  -8.486  -5.644 -12.415
  299    HB   THR  38           HB       THR  38  -9.260  -2.712 -12.326
  300    HG1  THR  38           1HG      THR  38  -8.390  -2.749 -14.366
  301   1HG2  THR  38          1HG2      THR  38  -7.241  -2.780 -11.032
  302   2HG2  THR  38          2HG2      THR  38  -6.763  -2.309 -12.662
  303   3HG2  THR  38          3HG2      THR  38  -6.512  -3.965 -12.115
  304    H    ALA  39           H        ALA  39 -10.550  -3.862 -10.139
  305    HA   ALA  39           HA       ALA  39  -8.679  -3.985  -7.911
  306   1HB   ALA  39          1HB       ALA  39 -10.468  -2.300  -8.138
  307   2HB   ALA  39          2HB       ALA  39 -10.685  -3.226  -6.653
  308   3HB   ALA  39          3HB       ALA  39 -11.685  -3.574  -8.063
  309    H    LYS  40           H        LYS  40 -11.214  -6.065  -9.188
  310    HA   LYS  40           HA       LYS  40 -11.383  -7.790  -6.833
  311   1HB   LYS  40          2HB       LYS  40 -12.354  -7.835  -9.692
  312   2HB   LYS  40          1HB       LYS  40 -12.595  -9.228  -8.637
  313   1HG   LYS  40          2HG       LYS  40 -13.826  -7.881  -7.039
  314   2HG   LYS  40          1HG       LYS  40 -13.466  -6.410  -7.944
  315   1HD   LYS  40          2HD       LYS  40 -14.797  -7.143  -9.814
  316   2HD   LYS  40          1HD       LYS  40 -14.997  -8.747  -9.111
  317   1HE   LYS  40          2HE       LYS  40 -16.213  -7.707  -7.180
  318   2HE   LYS  40          1HE       LYS  40 -16.112  -6.142  -8.012
  319   1HZ   LYS  40          1HZ       LYS  40 -18.177  -7.300  -8.560
  320   2HZ   LYS  40          2HZ       LYS  40 -17.291  -8.624  -9.148
  321   3HZ   LYS  40          3HZ       LYS  40 -17.196  -7.118  -9.931
  322    H    LYS  41           H        LYS  41  -9.578  -7.744  -9.863
  323    HA   LYS  41           HA       LYS  41  -8.488 -10.452  -9.516
  324   1HB   LYS  41          2HB       LYS  41  -8.373  -8.193 -11.455
  325   2HB   LYS  41          1HB       LYS  41  -7.001  -9.303 -11.457
  326   1HG   LYS  41          2HG       LYS  41  -8.913 -11.140 -11.425
  327   2HG   LYS  41          1HG       LYS  41  -9.870  -9.835 -12.127
  328   1HD   LYS  41          2HD       LYS  41  -7.149 -10.341 -13.257
  329   2HD   LYS  41          1HD       LYS  41  -8.439 -11.472 -13.667
  330   1HE   LYS  41          2HE       LYS  41  -9.851  -9.516 -14.385
  331   2HE   LYS  41          1HE       LYS  41  -8.438  -8.471 -14.133
  332   1HZ   LYS  41          1HZ       LYS  41  -7.169  -9.815 -15.648
  333   2HZ   LYS  41          2HZ       LYS  41  -8.592  -9.313 -16.432
  334   3HZ   LYS  41          3HZ       LYS  41  -8.457 -10.901 -15.843
  335    H    LEU  42           H        LEU  42  -7.582  -7.178  -8.659
  336    HA   LEU  42           HA       LEU  42  -4.746  -7.773  -8.198
  337   1HB   LEU  42          2HB       LEU  42  -6.634  -5.509  -8.104
  338   2HB   LEU  42          1HB       LEU  42  -5.369  -5.428  -6.883
  339    HG   LEU  42           HG       LEU  42  -3.670  -5.790  -8.671
  340   1HD1  LEU  42          1HD1      LEU  42  -5.562  -6.837 -10.191
  341   2HD1  LEU  42          2HD1      LEU  42  -4.231  -5.946 -10.928
  342   3HD1  LEU  42          3HD1      LEU  42  -5.795  -5.165 -10.696
  343   1HD2  LEU  42          1HD2      LEU  42  -4.508  -3.523  -7.862
  344   2HD2  LEU  42          2HD2      LEU  42  -5.492  -3.468  -9.325
  345   3HD2  LEU  42          3HD2      LEU  42  -3.733  -3.531  -9.446
  346    H    GLY  43           H        GLY  43  -7.449  -6.824  -6.028
  347   1HA   GLY  43          2HA       GLY  43  -6.170  -7.281  -3.568
  348   2HA   GLY  43          1HA       GLY  43  -7.912  -7.450  -3.804
  349    H    GLU  44           H        GLU  44  -7.496  -9.600  -5.835
  350    HA   GLU  44           HA       GLU  44  -7.474 -11.882  -4.026
  351   1HB   GLU  44          2HB       GLU  44  -8.732 -11.499  -6.268
  352   2HB   GLU  44          1HB       GLU  44  -7.205 -11.921  -7.043
  353   1HG   GLU  44          2HG       GLU  44  -7.195 -14.054  -5.710
  354   2HG   GLU  44          1HG       GLU  44  -8.815 -13.646  -5.142
  355    H    MET  45           H        MET  45  -5.221 -10.421  -6.352
  356    HA   MET  45           HA       MET  45  -3.176 -12.487  -6.002
  357   1HB   MET  45          2HB       MET  45  -3.523  -9.874  -7.440
  358   2HB   MET  45          1HB       MET  45  -1.892 -10.518  -7.239
  359   1HG   MET  45          2HG       MET  45  -2.377 -12.468  -8.469
  360   2HG   MET  45          1HG       MET  45  -4.116 -12.255  -8.285
  361   1HE   MET  45          1HE       MET  45  -3.861 -12.907 -11.010
  362   2HE   MET  45          2HE       MET  45  -4.582 -11.534 -11.846
  363   3HE   MET  45          3HE       MET  45  -5.255 -12.074 -10.310
  364    H    TRP  46           H        TRP  46  -3.834  -9.208  -4.771
  365    HA   TRP  46           HA       TRP  46  -1.367  -8.699  -3.439
  366   1HB   TRP  46          2HB       TRP  46  -3.141  -7.043  -3.786
  367   2HB   TRP  46          1HB       TRP  46  -4.237  -7.946  -2.749
  368    HD1  TRP  46           HD       TRP  46  -4.425  -6.740  -0.506
  369    HE1  TRP  46           1HE      TRP  46  -2.780  -5.576   1.107
  370    HE3  TRP  46           3HE      TRP  46  -0.124  -7.157  -3.198
  371    HZ2  TRP  46           2HZ      TRP  46   0.009  -4.915   1.226
  372    HZ3  TRP  46           3HZ      TRP  46   2.013  -6.254  -2.324
  373    HH2  TRP  46           HH       TRP  46   2.080  -5.131  -0.118
  374    H    SER  47           H        SER  47  -4.396 -10.073  -2.083
  375    HA   SER  47           HA       SER  47  -3.259 -10.869   0.430
  376   1HB   SER  47          2HB       SER  47  -5.733 -10.609  -0.549
  377   2HB   SER  47          1HB       SER  47  -5.541 -12.336  -0.840
  378    HG   SER  47           HG       SER  47  -5.800 -10.935   1.520
  379    H    GLU  48           H        GLU  48  -2.819 -12.170  -2.726
  380    HA   GLU  48           HA       GLU  48  -2.119 -14.867  -1.678
  381   1HB   GLU  48          2HB       GLU  48  -2.924 -13.664  -4.319
  382   2HB   GLU  48          1HB       GLU  48  -2.067 -15.204  -4.282
  383   1HG   GLU  48          2HG       GLU  48  -4.467 -14.788  -2.520
  384   2HG   GLU  48          1HG       GLU  48  -4.684 -15.212  -4.218
  385    H    GLN  49           H        GLN  49  -0.679 -11.886  -2.558
  386    HA   GLN  49           HA       GLN  49   1.720 -12.912  -3.818
  387   1HB   GLN  49          2HB       GLN  49   0.539 -10.385  -2.966
  388   2HB   GLN  49          1HB       GLN  49   2.247 -10.443  -2.541
  389   1HG   GLN  49          2HG       GLN  49   2.059  -9.528  -4.770
  390   2HG   GLN  49          1HG       GLN  49   2.742 -11.148  -4.903
  391   1HE2  GLN  49          1HE2      GLN  49   1.340 -12.860  -5.781
  392   2HE2  GLN  49          2HE2      GLN  49  -0.087 -12.478  -6.613
  393    H    SER  50           H        SER  50   3.727 -13.285  -2.813
  394    HA   SER  50           HA       SER  50   3.615 -13.944   0.082
  395   1HB   SER  50          2HB       SER  50   5.598 -15.246  -0.442
  396   2HB   SER  50          1HB       SER  50   4.430 -15.526  -1.731
  397    HG   SER  50           HG       SER  50   6.841 -14.773  -2.074
  398    H    ALA  51           H        ALA  51   6.546 -13.594   0.349
  399    HA   ALA  51           HA       ALA  51   6.605 -10.825   1.185
  400   1HB   ALA  51          1HB       ALA  51   9.066 -11.428   1.530
  401   2HB   ALA  51          2HB       ALA  51   8.685 -13.006   0.840
  402   3HB   ALA  51          3HB       ALA  51   7.911 -12.487   2.337
  403    H    LYS  52           H        LYS  52   7.326 -12.427  -1.832
  404    HA   LYS  52           HA       LYS  52   9.245 -10.661  -2.971
  405   1HB   LYS  52          2HB       LYS  52   7.982 -12.925  -3.713
  406   2HB   LYS  52          1HB       LYS  52   7.050 -11.765  -4.661
  407   1HG   LYS  52          2HG       LYS  52   8.940 -11.039  -5.862
  408   2HG   LYS  52          1HG       LYS  52  10.062 -11.676  -4.659
  409   1HD   LYS  52          2HD       LYS  52  10.228 -13.287  -6.338
  410   2HD   LYS  52          1HD       LYS  52   8.987 -13.991  -5.300
  411   1HE   LYS  52          2HE       LYS  52   7.218 -13.202  -6.750
  412   2HE   LYS  52          1HE       LYS  52   8.367 -12.249  -7.710
  413   1HZ   LYS  52          1HZ       LYS  52   9.525 -14.248  -8.320
  414   2HZ   LYS  52          2HZ       LYS  52   7.882 -14.435  -8.713
  415   3HZ   LYS  52          3HZ       LYS  52   8.519 -15.192  -7.333
  416    H    ASP  53           H        ASP  53   5.660 -10.541  -3.171
  417    HA   ASP  53           HA       ASP  53   5.903  -7.633  -3.876
  418   1HB   ASP  53          2HB       ASP  53   4.299  -9.901  -4.987
  419   2HB   ASP  53          1HB       ASP  53   3.581  -8.291  -4.988
  420    H    LYS  54           H        LYS  54   5.790  -7.878  -1.341
  421    HA   LYS  54           HA       LYS  54   3.220  -6.875  -0.475
  422   1HB   LYS  54          2HB       LYS  54   3.311  -9.574  -0.757
  423   2HB   LYS  54          1HB       LYS  54   3.841  -9.410   0.910
  424   1HG   LYS  54          2HG       LYS  54   1.801  -7.846   1.194
  425   2HG   LYS  54          1HG       LYS  54   1.255  -8.495  -0.344
  426   1HD   LYS  54          2HD       LYS  54   0.234  -9.805   1.408
  427   2HD   LYS  54          1HD       LYS  54   1.461 -10.801   0.627
  428   1HE   LYS  54          2HE       LYS  54   2.286 -11.154   2.723
  429   2HE   LYS  54          1HE       LYS  54   2.873  -9.482   2.653
  430   1HZ   LYS  54          1HZ       LYS  54   0.226 -10.409   3.633
  431   2HZ   LYS  54          2HZ       LYS  54   0.622  -8.776   3.378
  432   3HZ   LYS  54          3HZ       LYS  54   1.455  -9.683   4.550
  433    H    GLN  55           H        GLN  55   6.325  -8.299   0.464
  434    HA   GLN  55           HA       GLN  55   6.313  -7.236   3.170
  435   1HB   GLN  55          2HB       GLN  55   8.156  -8.656   1.320
  436   2HB   GLN  55          1HB       GLN  55   8.908  -7.768   2.643
  437   1HG   GLN  55          2HG       GLN  55   6.654  -9.762   3.002
  438   2HG   GLN  55          1HG       GLN  55   8.361 -10.146   3.228
  439   1HE2  GLN  55          1HE2      GLN  55   5.636  -9.237   4.937
  440   2HE2  GLN  55          2HE2      GLN  55   6.384  -8.495   6.269
  441    HA   PRO  56           HA       PRO  56   9.285  -3.927   1.439
  442   1HB   PRO  56          2HB       PRO  56   9.539  -3.639  -1.268
  443   2HB   PRO  56          1HB       PRO  56  10.576  -4.707  -0.303
  444   1HG   PRO  56          2HG       PRO  56   8.237  -5.377  -2.013
  445   2HG   PRO  56          1HG       PRO  56   9.751  -6.263  -1.770
  446   1HD   PRO  56          2HD       PRO  56   7.388  -6.936  -0.585
  447   2HD   PRO  56          1HD       PRO  56   8.981  -7.321   0.100
  448    H    TYR  57           H        TYR  57   6.143  -4.569   0.205
  449    HA   TYR  57           HA       TYR  57   5.674  -1.813  -0.757
  450   1HB   TYR  57          2HB       TYR  57   4.096  -4.381  -0.569
  451   2HB   TYR  57          1HB       TYR  57   3.318  -2.864  -1.022
  452    HD1  TYR  57           1HD      TYR  57   5.147  -1.465  -2.699
  453    HD2  TYR  57           2HD      TYR  57   4.489  -5.703  -2.452
  454    HE1  TYR  57           1HE      TYR  57   5.988  -1.728  -5.015
  455    HE2  TYR  57           2HE      TYR  57   5.328  -5.964  -4.771
  456    HH   TYR  57           HH       TYR  57   5.702  -4.726  -6.750
  457    H    GLU  58           H        GLU  58   4.829  -3.872   2.017
  458    HA   GLU  58           HA       GLU  58   3.112  -1.788   3.200
  459   1HB   GLU  58          2HB       GLU  58   2.827  -3.494   4.965
  460   2HB   GLU  58          1HB       GLU  58   2.611  -4.209   3.370
  461   1HG   GLU  58          2HG       GLU  58   4.146  -5.749   3.989
  462   2HG   GLU  58          1HG       GLU  58   5.347  -4.472   3.832
  463    H    GLN  59           H        GLN  59   6.450  -2.863   3.434
  464    HA   GLN  59           HA       GLN  59   6.944  -1.408   5.955
  465   1HB   GLN  59          2HB       GLN  59   8.740  -2.835   3.973
  466   2HB   GLN  59          1HB       GLN  59   9.250  -2.248   5.554
  467   1HG   GLN  59          2HG       GLN  59   7.526  -3.700   6.616
  468   2HG   GLN  59          1HG       GLN  59   7.124  -4.344   5.025
  469   1HE2  GLN  59          1HE2      GLN  59   9.372  -5.002   3.785
  470   2HE2  GLN  59          2HE2      GLN  59  10.396  -5.979   4.724
  471    H    LYS  60           H        LYS  60   6.586  -0.495   2.743
  472    HA   LYS  60           HA       LYS  60   8.634   1.672   2.888
  473   1HB   LYS  60          2HB       LYS  60   8.513   0.095   0.924
  474   2HB   LYS  60          1HB       LYS  60   6.893   0.707   0.592
  475   1HG   LYS  60          2HG       LYS  60   8.981   2.783   0.933
  476   2HG   LYS  60          1HG       LYS  60   9.158   1.764  -0.495
  477   1HD   LYS  60          2HD       LYS  60   6.893   2.291  -1.214
  478   2HD   LYS  60          1HD       LYS  60   6.602   3.205   0.267
  479   1HE   LYS  60          2HE       LYS  60   8.196   4.896  -0.358
  480   2HE   LYS  60          1HE       LYS  60   8.801   3.911  -1.703
  481   1HZ   LYS  60          1HZ       LYS  60   6.563   3.945  -2.660
  482   2HZ   LYS  60          2HZ       LYS  60   7.201   5.513  -2.518
  483   3HZ   LYS  60          3HZ       LYS  60   6.036   4.963  -1.409
  484    H    ALA  61           H        ALA  61   5.191   0.973   2.757
  485    HA   ALA  61           HA       ALA  61   4.478   3.842   2.539
  486   1HB   ALA  61          1HB       ALA  61   2.584   1.530   2.908
  487   2HB   ALA  61          2HB       ALA  61   3.414   1.740   1.366
  488   3HB   ALA  61          3HB       ALA  61   2.350   3.009   1.977
  489    H    ALA  62           H        ALA  62   4.547   1.182   4.843
  490    HA   ALA  62           HA       ALA  62   2.938   2.492   6.887
  491   1HB   ALA  62          1HB       ALA  62   3.269   0.028   6.622
  492   2HB   ALA  62          2HB       ALA  62   3.689   0.590   8.239
  493   3HB   ALA  62          3HB       ALA  62   4.962   0.234   7.072
  494    H    LYS  63           H        LYS  63   6.409   2.349   6.099
  495    HA   LYS  63           HA       LYS  63   7.145   3.752   8.595
  496   1HB   LYS  63          2HB       LYS  63   8.448   1.900   7.413
  497   2HB   LYS  63          1HB       LYS  63   8.827   3.088   6.165
  498   1HG   LYS  63          2HG       LYS  63  10.657   3.374   7.556
  499   2HG   LYS  63          1HG       LYS  63   9.550   4.552   8.261
  500   1HD   LYS  63          2HD       LYS  63  10.347   3.306  10.115
  501   2HD   LYS  63          1HD       LYS  63   8.753   2.627   9.780
  502   1HE   LYS  63          2HE       LYS  63   9.655   0.682   8.785
  503   2HE   LYS  63          1HE       LYS  63  11.239   1.442   8.531
  504   1HZ   LYS  63          1HZ       LYS  63   9.995   0.868  11.171
  505   2HZ   LYS  63          2HZ       LYS  63  11.499   1.619  10.929
  506   3HZ   LYS  63          3HZ       LYS  63  11.275  -0.003  10.478
  507    H    LEU  64           H        LEU  64   5.919   4.679   5.574
  508    HA   LEU  64           HA       LEU  64   7.366   7.293   5.576
  509   1HB   LEU  64          2HB       LEU  64   6.136   5.478   3.591
  510   2HB   LEU  64          1HB       LEU  64   5.809   7.189   3.314
  511    HG   LEU  64           HG       LEU  64   8.590   6.112   3.830
  512   1HD1  LEU  64          1HD1      LEU  64   8.660   6.716   1.223
  513   2HD1  LEU  64          2HD1      LEU  64   6.960   6.261   1.332
  514   3HD1  LEU  64          3HD1      LEU  64   8.213   5.106   1.787
  515   1HD2  LEU  64          1HD2      LEU  64   8.266   8.507   4.263
  516   2HD2  LEU  64          2HD2      LEU  64   7.524   8.711   2.677
  517   3HD2  LEU  64          3HD2      LEU  64   9.231   8.287   2.804
  518    H    LYS  65           H        LYS  65   4.255   5.764   6.077
  519    HA   LYS  65           HA       LYS  65   2.618   8.146   5.821
  520   1HB   LYS  65          2HB       LYS  65   1.802   5.819   5.584
  521   2HB   LYS  65          1HB       LYS  65   2.195   5.508   7.275
  522   1HG   LYS  65          2HG       LYS  65   0.635   7.390   7.900
  523   2HG   LYS  65          1HG       LYS  65   0.143   7.467   6.207
  524   1HD   LYS  65          2HD       LYS  65  -1.466   6.021   7.056
  525   2HD   LYS  65          1HD       LYS  65  -0.239   4.871   6.526
  526   1HE   LYS  65          2HE       LYS  65   0.709   4.868   8.844
  527   2HE   LYS  65          1HE       LYS  65  -0.634   5.911   9.354
  528   1HZ   LYS  65          1HZ       LYS  65  -0.900   3.255   8.045
  529   2HZ   LYS  65          2HZ       LYS  65  -2.189   4.265   8.500
  530   3HZ   LYS  65          3HZ       LYS  65  -1.185   3.576   9.686
  531    H    GLU  66           H        GLU  66   4.148   6.431   8.548
  532    HA   GLU  66           HA       GLU  66   3.064   8.025  10.667
  533   1HB   GLU  66          2HB       GLU  66   4.383   5.782  10.643
  534   2HB   GLU  66          1HB       GLU  66   5.823   6.801  10.651
  535   1HG   GLU  66          2HG       GLU  66   3.611   7.232  12.654
  536   2HG   GLU  66          1HG       GLU  66   4.874   6.033  12.940
  537    H    LYS  67           H        LYS  67   5.870   8.471   8.554
  538    HA   LYS  67           HA       LYS  67   6.990  10.724  10.014
  539   1HB   LYS  67          2HB       LYS  67   8.033   9.040   8.315
  540   2HB   LYS  67          1HB       LYS  67   7.385  10.126   7.085
  541   1HG   LYS  67          2HG       LYS  67   9.542  10.982   7.439
  542   2HG   LYS  67          1HG       LYS  67   8.546  12.004   8.476
  543   1HD   LYS  67          2HD       LYS  67   9.244  10.922  10.434
  544   2HD   LYS  67          1HD       LYS  67   9.749   9.471   9.567
  545   1HE   LYS  67          2HE       LYS  67  11.494  11.046   8.418
  546   2HE   LYS  67          1HE       LYS  67  11.177  12.116   9.798
  547   1HZ   LYS  67          1HZ       LYS  67  11.932   9.245   9.952
  548   2HZ   LYS  67          2HZ       LYS  67  11.559  10.232  11.283
  549   3HZ   LYS  67          3HZ       LYS  67  12.935  10.555  10.341
  550    H    TYR  68           H        TYR  68   4.449  10.362   7.652
  551    HA   TYR  68           HA       TYR  68   4.461  13.086   6.622
  552   1HB   TYR  68          2HB       TYR  68   3.493  10.963   5.598
  553   2HB   TYR  68          1HB       TYR  68   2.194  11.073   6.781
  554    HD1  TYR  68           1HD      TYR  68   0.245  11.810   5.772
  555    HD2  TYR  68           2HD      TYR  68   3.974  13.623   4.652
  556    HE1  TYR  68           1HE      TYR  68  -0.969  13.381   4.295
  557    HE2  TYR  68           2HE      TYR  68   2.756  15.192   3.176
  558    HH   TYR  68           HH       TYR  68  -0.501  15.741   3.344
  559    H    GLU  69           H        GLU  69   2.888  11.401   9.282
  560    HA   GLU  69           HA       GLU  69   0.934  13.338  10.028
  561   1HB   GLU  69          2HB       GLU  69   2.557  11.337  11.634
  562   2HB   GLU  69          1HB       GLU  69   1.140  12.180  12.261
  563   1HG   GLU  69          2HG       GLU  69  -0.081  11.270  10.168
  564   2HG   GLU  69          1HG       GLU  69   1.282  10.159  10.026
  565    H    LYS  70           H        LYS  70   4.374  13.052  10.853
  566    HA   LYS  70           HA       LYS  70   4.314  15.376  12.664
  567   1HB   LYS  70          2HB       LYS  70   6.588  13.752  11.459
  568   2HB   LYS  70          1HB       LYS  70   6.732  14.868  12.815
  569   1HG   LYS  70          2HG       LYS  70   4.627  12.838  13.181
  570   2HG   LYS  70          1HG       LYS  70   6.247  12.158  13.040
  571   1HD   LYS  70          2HD       LYS  70   5.876  12.615  15.370
  572   2HD   LYS  70          1HD       LYS  70   6.999  13.838  14.777
  573   1HE   LYS  70          2HE       LYS  70   5.330  15.524  14.742
  574   2HE   LYS  70          1HE       LYS  70   4.014  14.336  14.823
  575   1HZ   LYS  70          1HZ       LYS  70   6.053  14.809  16.935
  576   2HZ   LYS  70          2HZ       LYS  70   4.813  13.649  17.001
  577   3HZ   LYS  70          3HZ       LYS  70   4.432  15.305  17.004
  578    H    ASP  71           H        ASP  71   5.601  14.517   9.482
  579    HA   ASP  71           HA       ASP  71   6.828  16.950   8.713
  580   1HB   ASP  71          2HB       ASP  71   5.631  14.560   7.453
  581   2HB   ASP  71          1HB       ASP  71   5.693  15.966   6.403
  582    H    ILE  72           H        ILE  72   3.494  15.889   7.977
  583    HA   ILE  72           HA       ILE  72   2.584  18.345   6.853
  584    HB   ILE  72           HB       ILE  72   1.293  15.958   8.194
  585   1HG1  ILE  72          2HG1      ILE  72   2.348  15.652   5.992
  586   2HG1  ILE  72          1HG1      ILE  72   0.600  15.455   5.887
  587   1HG2  ILE  72          1HG2      ILE  72  -0.077  18.410   7.068
  588   2HG2  ILE  72          2HG2      ILE  72  -0.361  17.616   8.618
  589   3HG2  ILE  72          3HG2      ILE  72  -0.878  16.840   7.121
  590   1HD1  ILE  72          1HD1      ILE  72   2.282  17.786   4.963
  591   2HD1  ILE  72          2HD1      ILE  72   0.553  17.968   5.248
  592   3HD1  ILE  72          3HD1      ILE  72   1.129  16.831   4.035
  593    H    ALA  73           H        ALA  73   2.956  17.338  10.206
  594    HA   ALA  73           HA       ALA  73   1.217  19.257  11.445
  595   1HB   ALA  73          1HB       ALA  73   2.364  17.187  12.417
  596   2HB   ALA  73          2HB       ALA  73   2.390  18.620  13.444
  597   3HB   ALA  73          3HB       ALA  73   3.828  18.165  12.531
  598    H    ALA  74           H        ALA  74   4.755  19.383  10.831
  599    HA   ALA  74           HA       ALA  74   4.994  22.138  11.737
  600   1HB   ALA  74          1HB       ALA  74   6.827  20.525  11.881
  601   2HB   ALA  74          2HB       ALA  74   7.301  21.838  10.804
  602   3HB   ALA  74          3HB       ALA  74   6.790  20.289  10.134
  603    H    TYR  75           H        TYR  75   4.466  20.529   8.654
  604    HA   TYR  75           HA       TYR  75   5.001  22.873   7.001
  605   1HB   TYR  75          2HB       TYR  75   4.871  20.213   6.575
  606   2HB   TYR  75          1HB       TYR  75   3.233  20.652   6.086
  607    HD1  TYR  75           1HD      TYR  75   2.829  22.090   4.159
  608    HD2  TYR  75           2HD      TYR  75   6.825  21.089   5.376
  609    HE1  TYR  75           1HE      TYR  75   3.700  22.946   2.001
  610    HE2  TYR  75           2HE      TYR  75   7.697  21.945   3.218
  611    HH   TYR  75           HH       TYR  75   6.717  23.793   1.445
  612    H    ARG  76           H        ARG  76   2.238  21.585   8.739
  613    HA   ARG  76           HA       ARG  76   0.142  22.957   7.321
  614   1HB   ARG  76          2HB       ARG  76  -0.183  21.063   8.866
  615   2HB   ARG  76          1HB       ARG  76   0.378  22.053  10.212
  616   1HG   ARG  76          2HG       ARG  76  -1.530  23.400  10.180
  617   2HG   ARG  76          1HG       ARG  76  -1.916  22.990   8.510
  618   1HD   ARG  76          2HD       ARG  76  -2.152  20.537   9.517
  619   2HD   ARG  76          1HD       ARG  76  -2.467  21.438  11.013
  620    HE   ARG  76           HE       ARG  76  -4.428  22.366  10.009
  621   1HH1  ARG  76          1HH2      ARG  76  -4.546  19.589   8.761
  622   2HH1  ARG  76          2HH2      ARG  76  -4.846  19.980   7.100
  623   1HH2  ARG  76          1HH1      ARG  76  -3.933  23.307   7.443
  624   2HH2  ARG  76          2HH1      ARG  76  -4.498  22.085   6.354
  625    H    ALA  77           H        ALA  77   1.282  23.764  10.622
  626    HA   ALA  77           HA       ALA  77   1.045  26.667   9.893
  627   1HB   ALA  77          1HB       ALA  77   0.287  25.149  12.407
  628   2HB   ALA  77          2HB       ALA  77  -0.808  25.962  11.289
  629   3HB   ALA  77          3HB       ALA  77   0.289  26.909  12.294
  630    H    LYS  78           H        LYS  78   3.229  27.199   9.690
  631    HA   LYS  78           HA       LYS  78   5.050  26.446  11.953
  632   1HB   LYS  78          2HB       LYS  78   5.466  25.633   9.562
  633   2HB   LYS  78          1HB       LYS  78   5.789  27.317   9.148
  634   1HG   LYS  78          2HG       LYS  78   7.600  27.419  10.772
  635   2HG   LYS  78          1HG       LYS  78   7.231  25.789  11.334
  636   1HD   LYS  78          2HD       LYS  78   7.619  25.052   8.895
  637   2HD   LYS  78          1HD       LYS  78   8.367  26.632   8.668
  638   1HE   LYS  78          2HE       LYS  78   9.868  26.108  10.646
  639   2HE   LYS  78          1HE       LYS  78   9.234  24.451  10.592
  640   1HZ   LYS  78          1HZ       LYS  78  10.490  25.899   8.319
  641   2HZ   LYS  78          2HZ       LYS  78   9.861  24.322   8.260
  642   3HZ   LYS  78          3HZ       LYS  78  11.220  24.662   9.219
  Start of MODEL   17
    1   1H    MET   1          1HT       MET   1 -13.717  14.512  -4.837
    2   2H    MET   1          2HT       MET   1 -13.137  15.628  -5.979
    3   3H    MET   1          3HT       MET   1 -13.629  16.158  -4.442
    4    HA   MET   1           HA       MET   1 -11.787  15.129  -3.378
    5   1HB   MET   1          2HB       MET   1 -10.304  13.657  -4.737
    6   2HB   MET   1          1HB       MET   1 -11.962  13.063  -4.698
    7   1HG   MET   1          2HG       MET   1 -12.403  14.010  -6.900
    8   2HG   MET   1          1HG       MET   1 -10.807  14.760  -6.931
    9   1HE   MET   1          1HE       MET   1  -8.668  13.635  -6.853
   10   2HE   MET   1          2HE       MET   1  -8.324  11.932  -7.148
   11   3HE   MET   1          3HE       MET   1  -8.964  12.436  -5.587
   12    H    LYS   2           H        LYS   2  -9.923  16.383  -3.179
   13    HA   LYS   2           HA       LYS   2  -8.748  17.787  -5.475
   14   1HB   LYS   2          2HB       LYS   2 -10.928  18.965  -4.620
   15   2HB   LYS   2          1HB       LYS   2  -9.910  19.487  -3.278
   16   1HG   LYS   2          2HG       LYS   2  -8.487  20.730  -4.672
   17   2HG   LYS   2          1HG       LYS   2  -8.985  19.854  -6.119
   18   1HD   LYS   2          2HD       LYS   2 -11.303  20.849  -5.777
   19   2HD   LYS   2          1HD       LYS   2 -10.578  21.900  -4.561
   20   1HE   LYS   2          2HE       LYS   2  -9.263  23.042  -6.144
   21   2HE   LYS   2          1HE       LYS   2  -9.383  21.725  -7.328
   22   1HZ   LYS   2          1HZ       LYS   2 -11.762  22.134  -7.490
   23   2HZ   LYS   2          2HZ       LYS   2 -10.891  23.535  -7.896
   24   3HZ   LYS   2          3HZ       LYS   2 -11.641  23.410  -6.377
   25    H    LYS   3           H        LYS   3  -6.965  19.325  -4.614
   26    HA   LYS   3           HA       LYS   3  -5.967  18.785  -1.899
   27   1HB   LYS   3          2HB       LYS   3  -5.444  16.854  -3.646
   28   2HB   LYS   3          1HB       LYS   3  -4.170  17.964  -4.154
   29   1HG   LYS   3          2HG       LYS   3  -3.110  16.681  -2.494
   30   2HG   LYS   3          1HG       LYS   3  -3.616  18.123  -1.613
   31   1HD   LYS   3          2HD       LYS   3  -4.306  16.311  -0.243
   32   2HD   LYS   3          1HD       LYS   3  -5.774  16.826  -1.075
   33   1HE   LYS   3          2HE       LYS   3  -5.519  15.026  -2.720
   34   2HE   LYS   3          1HE       LYS   3  -3.986  14.534  -1.971
   35   1HZ   LYS   3          1HZ       LYS   3  -6.626  14.642  -0.606
   36   2HZ   LYS   3          2HZ       LYS   3  -5.155  14.199   0.120
   37   3HZ   LYS   3          3HZ       LYS   3  -5.832  13.227  -1.100
   38    H    ASP   4           H        ASP   4  -4.662  20.480  -1.254
   39    HA   ASP   4           HA       ASP   4  -4.148  22.652  -3.202
   40   1HB   ASP   4          2HB       ASP   4  -4.213  22.274  -0.227
   41   2HB   ASP   4          1HB       ASP   4  -3.328  23.652  -0.882
   42    HA   PRO   5           HA       PRO   5   0.170  21.838  -3.550
   43   1HB   PRO   5          2HB       PRO   5   1.293  24.332  -3.494
   44   2HB   PRO   5          1HB       PRO   5   0.370  23.720  -4.881
   45   1HG   PRO   5          2HG       PRO   5  -0.474  25.580  -2.719
   46   2HG   PRO   5          1HG       PRO   5  -0.863  25.604  -4.445
   47   1HD   PRO   5          2HD       PRO   5  -2.573  24.698  -2.518
   48   2HD   PRO   5          1HD       PRO   5  -2.601  24.138  -4.204
   49    H    ASN   6           H        ASN   6  -0.867  23.870  -0.868
   50    HA   ASN   6           HA       ASN   6   1.617  23.746   0.636
   51   1HB   ASN   6          2HB       ASN   6  -1.255  24.501   1.148
   52   2HB   ASN   6          1HB       ASN   6  -0.106  24.436   2.485
   53   1HD2  ASN   6          1HD2      ASN   6  -1.133  26.308  -0.265
   54   2HD2  ASN   6          2HD2      ASN   6   0.034  27.534  -0.124
   55    H    ALA   7           H        ALA   7  -1.266  21.729   0.401
   56    HA   ALA   7           HA       ALA   7  -0.571  20.113   2.765
   57   1HB   ALA   7          1HB       ALA   7  -2.883  20.771   1.568
   58   2HB   ALA   7          2HB       ALA   7  -2.700  19.270   2.475
   59   3HB   ALA   7          3HB       ALA   7  -2.566  19.259   0.716
   60    HA   PRO   8           HA       PRO   8   1.741  17.169   0.480
   61   1HB   PRO   8          2HB       PRO   8   1.576  15.024   2.145
   62   2HB   PRO   8          1HB       PRO   8   2.624  16.429   2.406
   63   1HG   PRO   8          2HG       PRO   8   0.217  15.650   3.825
   64   2HG   PRO   8          1HG       PRO   8   1.475  16.813   4.220
   65   1HD   PRO   8          2HD       PRO   8  -1.142  17.353   3.195
   66   2HD   PRO   8          1HD       PRO   8   0.115  18.499   3.702
   67    H    LYS   9           H        LYS   9   1.586  14.818  -0.387
   68    HA   LYS   9           HA       LYS   9  -1.026  14.479  -1.673
   69   1HB   LYS   9          2HB       LYS   9   1.632  13.031  -1.753
   70   2HB   LYS   9          1HB       LYS   9   0.257  12.566  -2.754
   71   1HG   LYS   9          2HG       LYS   9   0.227  14.717  -3.843
   72   2HG   LYS   9          1HG       LYS   9   1.423  15.361  -2.717
   73   1HD   LYS   9          2HD       LYS   9   2.668  14.825  -4.664
   74   2HD   LYS   9          1HD       LYS   9   2.971  13.484  -3.559
   75   1HE   LYS   9          2HE       LYS   9   1.541  12.022  -4.743
   76   2HE   LYS   9          1HE       LYS   9   0.709  13.360  -5.562
   77   1HZ   LYS   9          1HZ       LYS   9   2.335  12.337  -7.034
   78   2HZ   LYS   9          2HZ       LYS   9   3.570  12.623  -5.904
   79   3HZ   LYS   9          3HZ       LYS   9   2.790  13.928  -6.663
   80    H    ARG  10           H        ARG  10  -1.510  11.902  -1.900
   81    HA   ARG  10           HA       ARG  10  -2.364  11.076   0.795
   82   1HB   ARG  10          2HB       ARG  10  -3.684   9.435  -0.460
   83   2HB   ARG  10          1HB       ARG  10  -3.836  11.018  -1.217
   84   1HG   ARG  10          2HG       ARG  10  -1.700  10.077  -2.587
   85   2HG   ARG  10          1HG       ARG  10  -2.509   8.555  -2.225
   86   1HD   ARG  10          2HD       ARG  10  -3.477   9.243  -4.285
   87   2HD   ARG  10          1HD       ARG  10  -4.667   9.757  -3.072
   88    HE   ARG  10           HE       ARG  10  -3.297  11.991  -3.127
   89   1HH1  ARG  10          1HH2      ARG  10  -1.671  10.857  -5.477
   90   2HH1  ARG  10          2HH2      ARG  10  -2.462  11.624  -6.813
   91   1HH2  ARG  10          1HH1      ARG  10  -5.251  12.551  -4.974
   92   2HH2  ARG  10          2HH1      ARG  10  -4.488  12.584  -6.528
   93    HA   PRO  11           HA       PRO  11   1.224   8.397   1.104
   94   1HB   PRO  11          2HB       PRO  11   0.584   7.187   3.470
   95   2HB   PRO  11          1HB       PRO  11   1.244   8.831   3.377
   96   1HG   PRO  11          2HG       PRO  11  -1.561   7.940   3.784
   97   2HG   PRO  11          1HG       PRO  11  -0.695   9.308   4.499
   98   1HD   PRO  11          2HD       PRO  11  -2.475   9.540   2.434
   99   2HD   PRO  11          1HD       PRO  11  -1.149  10.683   2.735
  100    HA   PRO  12           HA       PRO  12  -0.450   4.613  -0.474
  101   1HB   PRO  12          2HB       PRO  12   1.638   2.901  -0.033
  102   2HB   PRO  12          1HB       PRO  12   1.655   4.134  -1.311
  103   1HG   PRO  12          2HG       PRO  12   2.940   4.170   1.369
  104   2HG   PRO  12          1HG       PRO  12   3.543   4.779  -0.180
  105   1HD   PRO  12          2HD       PRO  12   2.489   6.373   1.771
  106   2HD   PRO  12          1HD       PRO  12   2.459   6.779   0.041
  107    H    SER  13           H        SER  13  -0.127   2.023   0.451
  108    HA   SER  13           HA       SER  13  -0.362   1.821   3.349
  109   1HB   SER  13          2HB       SER  13  -2.796   1.308   3.320
  110   2HB   SER  13          1HB       SER  13  -2.466   2.954   2.785
  111    HG   SER  13           HG       SER  13  -3.608   2.328   1.119
  112    H    ALA  14           H        ALA  14   1.188   0.367   1.415
  113    HA   ALA  14           HA       ALA  14   1.802  -1.857   1.036
  114   1HB   ALA  14          1HB       ALA  14  -0.552  -3.132   2.230
  115   2HB   ALA  14          2HB       ALA  14   0.198  -1.962   3.314
  116   3HB   ALA  14          3HB       ALA  14   1.150  -3.297   2.665
  117    H    PHE  15           H        PHE  15  -1.784  -2.122   1.025
  118    HA   PHE  15           HA       PHE  15  -1.905  -3.582  -1.412
  119   1HB   PHE  15          2HB       PHE  15  -3.704  -3.406   0.274
  120   2HB   PHE  15          1HB       PHE  15  -3.916  -1.701  -0.124
  121    HD1  PHE  15           1HD      PHE  15  -3.469  -4.808  -2.195
  122    HD2  PHE  15           2HD      PHE  15  -5.888  -1.367  -1.319
  123    HE1  PHE  15           1HE      PHE  15  -5.007  -5.418  -4.042
  124    HE2  PHE  15           2HE      PHE  15  -7.427  -1.980  -3.164
  125    HZ   PHE  15           HZ       PHE  15  -6.987  -4.005  -4.527
  126    H    PHE  16           H        PHE  16  -1.564  -0.135  -0.837
  127    HA   PHE  16           HA       PHE  16  -2.450   0.736  -3.458
  128   1HB   PHE  16          2HB       PHE  16  -2.150   2.001  -1.179
  129   2HB   PHE  16          1HB       PHE  16  -0.477   2.194  -1.704
  130    HD1  PHE  16           1HD      PHE  16  -0.039   3.227  -4.007
  131    HD2  PHE  16           2HD      PHE  16  -3.856   3.390  -2.045
  132    HE1  PHE  16           1HE      PHE  16  -0.715   5.106  -5.478
  133    HE2  PHE  16           2HE      PHE  16  -4.533   5.268  -3.515
  134    HZ   PHE  16           HZ       PHE  16  -2.962   6.126  -5.232
  135    H    LEU  17           H        LEU  17   0.610  -0.395  -2.137
  136    HA   LEU  17           HA       LEU  17   2.289   0.506  -4.330
  137   1HB   LEU  17          2HB       LEU  17   2.448  -1.608  -2.174
  138   2HB   LEU  17          1HB       LEU  17   3.735  -1.425  -3.366
  139    HG   LEU  17           HG       LEU  17   3.663   1.095  -2.707
  140   1HD1  LEU  17          1HD1      LEU  17   1.691   1.164  -1.365
  141   2HD1  LEU  17          2HD1      LEU  17   3.036   1.290  -0.230
  142   3HD1  LEU  17          3HD1      LEU  17   2.192  -0.246  -0.429
  143   1HD2  LEU  17          1HD2      LEU  17   4.674  -0.925  -0.688
  144   2HD2  LEU  17          2HD2      LEU  17   5.306   0.696  -0.963
  145   3HD2  LEU  17          3HD2      LEU  17   5.495  -0.546  -2.200
  146    H    PHE  18           H        PHE  18   1.455  -2.820  -3.483
  147    HA   PHE  18           HA       PHE  18   1.845  -4.263  -5.772
  148   1HB   PHE  18          2HB       PHE  18   0.911  -5.209  -3.734
  149   2HB   PHE  18          1HB       PHE  18  -0.582  -4.295  -3.944
  150    HD1  PHE  18           1HD      PHE  18   1.461  -7.098  -5.258
  151    HD2  PHE  18           2HD      PHE  18  -2.296  -5.026  -5.474
  152    HE1  PHE  18           1HE      PHE  18   0.510  -8.959  -6.595
  153    HE2  PHE  18           2HE      PHE  18  -3.246  -6.886  -6.811
  154    HZ   PHE  18           HZ       PHE  18  -1.846  -8.854  -7.371
  155    H    CYS  19           H        CYS  19  -1.325  -2.565  -5.244
  156    HA   CYS  19           HA       CYS  19  -2.280  -2.979  -7.900
  157   1HB   CYS  19          2HB       CYS  19  -3.627  -2.341  -5.907
  158   2HB   CYS  19          1HB       CYS  19  -2.863  -0.753  -5.918
  159    HG   CYS  19           HG       CYS  19  -4.875  -1.767  -8.076
  160    H    SER  20           H        SER  20  -0.521  -0.232  -6.460
  161    HA   SER  20           HA       SER  20  -0.582   1.554  -8.653
  162   1HB   SER  20          2HB       SER  20   1.300   1.018  -6.378
  163   2HB   SER  20          1HB       SER  20   1.740   2.208  -7.596
  164    HG   SER  20           HG       SER  20   0.333   3.510  -6.753
  165    H    GLU  21           H        GLU  21   1.446  -1.323  -8.176
  166    HA   GLU  21           HA       GLU  21   3.094  -0.618 -10.532
  167   1HB   GLU  21          2HB       GLU  21   4.365  -2.627  -9.868
  168   2HB   GLU  21          1HB       GLU  21   4.125  -1.545  -8.500
  169   1HG   GLU  21          2HG       GLU  21   2.567  -2.954  -7.487
  170   2HG   GLU  21          1HG       GLU  21   2.152  -3.753  -9.000
  171    H    HIS  22           H        HIS  22   0.376  -2.765  -9.733
  172    HA   HIS  22           HA       HIS  22   0.651  -4.139 -12.363
  173   1HB   HIS  22          2HB       HIS  22  -1.018  -4.548  -9.866
  174   2HB   HIS  22          1HB       HIS  22  -1.232  -5.512 -11.324
  175    HD1  HIS  22           1HD      HIS  22   1.125  -6.695 -12.188
  176    HD2  HIS  22           2HD      HIS  22   0.893  -5.587  -8.176
  177    HE1  HIS  22           1HE      HIS  22   2.911  -8.017 -10.973
  178    H    ARG  23           H        ARG  23  -0.483  -1.245 -11.637
  179    HA   ARG  23           HA       ARG  23  -3.275  -1.423 -12.462
  180   1HB   ARG  23          2HB       ARG  23  -2.391   0.233 -10.853
  181   2HB   ARG  23          1HB       ARG  23  -1.407   0.942 -12.128
  182   1HG   ARG  23          2HG       ARG  23  -3.274   2.320 -12.216
  183   2HG   ARG  23          1HG       ARG  23  -3.718   1.094 -13.404
  184   1HD   ARG  23          2HD       ARG  23  -5.637   1.303 -11.990
  185   2HD   ARG  23          1HD       ARG  23  -4.814  -0.158 -11.409
  186    HE   ARG  23           HE       ARG  23  -3.788   1.246  -9.625
  187   1HH1  ARG  23          1HH2      ARG  23  -4.830   3.711 -11.375
  188   2HH1  ARG  23          2HH2      ARG  23  -5.947   4.381 -10.233
  189   1HH2  ARG  23          1HH1      ARG  23  -5.914   1.596  -8.167
  190   2HH2  ARG  23          2HH1      ARG  23  -6.561   3.182  -8.417
  191    HA   PRO  24           HA       PRO  24  -1.596   0.490 -16.503
  192   1HB   PRO  24          2HB       PRO  24   1.064   0.259 -17.083
  193   2HB   PRO  24          1HB       PRO  24   0.377   1.652 -16.224
  194   1HG   PRO  24          2HG       PRO  24   1.871  -0.679 -15.157
  195   2HG   PRO  24          1HG       PRO  24   1.897   1.013 -14.643
  196   1HD   PRO  24          2HD       PRO  24   0.543  -0.981 -13.344
  197   2HD   PRO  24          1HD       PRO  24   0.131   0.742 -13.244
  198    H    LYS  25           H        LYS  25  -0.805  -2.551 -15.181
  199    HA   LYS  25           HA       LYS  25  -0.154  -3.846 -17.756
  200   1HB   LYS  25          2HB       LYS  25   0.822  -4.338 -15.420
  201   2HB   LYS  25          1HB       LYS  25  -0.717  -5.128 -15.076
  202   1HG   LYS  25          2HG       LYS  25  -0.383  -6.774 -16.732
  203   2HG   LYS  25          1HG       LYS  25   0.860  -5.824 -17.549
  204   1HD   LYS  25          2HD       LYS  25   1.262  -6.760 -14.714
  205   2HD   LYS  25          1HD       LYS  25   1.618  -7.827 -16.072
  206   1HE   LYS  25          2HE       LYS  25   3.227  -6.252 -16.978
  207   2HE   LYS  25          1HE       LYS  25   2.776  -5.034 -15.767
  208   1HZ   LYS  25          1HZ       LYS  25   3.863  -7.737 -15.169
  209   2HZ   LYS  25          2HZ       LYS  25   3.429  -6.563 -14.020
  210   3HZ   LYS  25          3HZ       LYS  25   4.738  -6.287 -15.068
  211    H    ILE  26           H        ILE  26  -2.858  -3.558 -15.488
  212    HA   ILE  26           HA       ILE  26  -4.509  -5.562 -16.842
  213    HB   ILE  26           HB       ILE  26  -5.136  -3.410 -14.791
  214   1HG1  ILE  26          2HG1      ILE  26  -3.399  -4.989 -14.028
  215   2HG1  ILE  26          1HG1      ILE  26  -4.900  -5.249 -13.148
  216   1HG2  ILE  26          1HG2      ILE  26  -7.253  -4.039 -15.447
  217   2HG2  ILE  26          2HG2      ILE  26  -6.934  -5.332 -14.291
  218   3HG2  ILE  26          3HG2      ILE  26  -6.721  -5.621 -16.018
  219   1HD1  ILE  26          1HD1      ILE  26  -5.451  -7.086 -14.794
  220   2HD1  ILE  26          2HD1      ILE  26  -4.046  -7.418 -13.782
  221   3HD1  ILE  26          3HD1      ILE  26  -3.825  -6.898 -15.453
  222    H    LYS  27           H        LYS  27  -3.974  -2.109 -17.103
  223    HA   LYS  27           HA       LYS  27  -6.433  -1.490 -18.551
  224   1HB   LYS  27          2HB       LYS  27  -3.759  -0.098 -18.193
  225   2HB   LYS  27          1HB       LYS  27  -5.154   0.644 -18.978
  226   1HG   LYS  27          2HG       LYS  27  -6.486   0.286 -16.914
  227   2HG   LYS  27          1HG       LYS  27  -5.056  -0.386 -16.129
  228   1HD   LYS  27          2HD       LYS  27  -5.087   1.888 -15.454
  229   2HD   LYS  27          1HD       LYS  27  -3.892   1.827 -16.749
  230   1HE   LYS  27          2HE       LYS  27  -5.397   2.786 -18.332
  231   2HE   LYS  27          1HE       LYS  27  -6.798   2.506 -17.278
  232   1HZ   LYS  27          1HZ       LYS  27  -6.004   4.805 -17.124
  233   2HZ   LYS  27          2HZ       LYS  27  -4.479   4.248 -16.622
  234   3HZ   LYS  27          3HZ       LYS  27  -5.845   3.993 -15.644
  235    H    SER  28           H        SER  28  -3.282  -2.754 -19.427
  236    HA   SER  28           HA       SER  28  -3.388  -2.024 -22.247
  237   1HB   SER  28          2HB       SER  28  -1.826  -4.116 -20.696
  238   2HB   SER  28          1HB       SER  28  -1.479  -3.629 -22.353
  239    HG   SER  28           HG       SER  28  -0.825  -1.688 -21.658
  240    H    GLU  29           H        GLU  29  -3.988  -5.032 -20.423
  241    HA   GLU  29           HA       GLU  29  -5.005  -6.432 -22.809
  242   1HB   GLU  29          2HB       GLU  29  -4.750  -7.093 -19.862
  243   2HB   GLU  29          1HB       GLU  29  -5.363  -8.234 -21.059
  244   1HG   GLU  29          2HG       GLU  29  -3.180  -7.710 -22.362
  245   2HG   GLU  29          1HG       GLU  29  -2.598  -7.059 -20.829
  246    H    HIS  30           H        HIS  30  -6.375  -4.073 -21.004
  247    HA   HIS  30           HA       HIS  30  -9.115  -4.958 -21.622
  248   1HB   HIS  30          2HB       HIS  30  -8.226  -4.312 -18.785
  249   2HB   HIS  30          1HB       HIS  30  -9.881  -4.625 -19.290
  250    HD1  HIS  30           1HD      HIS  30 -10.578  -7.055 -19.708
  251    HD2  HIS  30           2HD      HIS  30  -6.542  -6.638 -18.782
  252    HE1  HIS  30           1HE      HIS  30  -9.709  -9.389 -19.243
  253    HA   PRO  31           HA       PRO  31  -8.232  -0.450 -22.135
  254   1HB   PRO  31          2HB       PRO  31  -9.719  -0.183 -24.428
  255   2HB   PRO  31          1HB       PRO  31  -8.018  -0.690 -24.430
  256   1HG   PRO  31          2HG       PRO  31 -10.486  -2.360 -24.617
  257   2HG   PRO  31          1HG       PRO  31  -8.968  -2.491 -25.522
  258   1HD   PRO  31          2HD       PRO  31  -9.532  -4.114 -23.439
  259   2HD   PRO  31          1HD       PRO  31  -7.876  -3.574 -23.798
  260    H    GLY  32           H        GLY  32  -9.531   0.903 -20.958
  261   1HA   GLY  32          2HA       GLY  32 -11.616   2.049 -20.516
  262   2HA   GLY  32          1HA       GLY  32 -12.483   0.682 -21.217
  263    H    LEU  33           H        LEU  33 -10.631  -1.154 -19.598
  264    HA   LEU  33           HA       LEU  33 -12.285  -1.911 -17.504
  265   1HB   LEU  33          2HB       LEU  33 -10.080  -2.850 -18.542
  266   2HB   LEU  33          1HB       LEU  33  -9.283  -1.958 -17.258
  267    HG   LEU  33           HG       LEU  33  -9.704  -4.319 -16.636
  268   1HD1  LEU  33          1HD1      LEU  33 -10.322  -3.834 -14.459
  269   2HD1  LEU  33          2HD1      LEU  33 -11.564  -2.683 -14.952
  270   3HD1  LEU  33          3HD1      LEU  33  -9.859  -2.237 -15.043
  271   1HD2  LEU  33          1HD2      LEU  33 -12.645  -3.703 -16.501
  272   2HD2  LEU  33          2HD2      LEU  33 -11.840  -5.271 -16.545
  273   3HD2  LEU  33          3HD2      LEU  33 -11.943  -4.291 -18.008
  274    H    SER  34           H        SER  34 -13.129  -0.393 -16.109
  275    HA   SER  34           HA       SER  34 -11.878   1.908 -15.024
  276   1HB   SER  34          2HB       SER  34 -13.643   1.457 -13.163
  277   2HB   SER  34          1HB       SER  34 -14.221   1.681 -14.811
  278    HG   SER  34           HG       SER  34 -14.947  -0.243 -13.491
  279    H    ILE  35           H        ILE  35 -11.720   1.943 -12.373
  280    HA   ILE  35           HA       ILE  35  -9.455   0.131 -11.753
  281    HB   ILE  35           HB       ILE  35 -10.682   2.495 -10.287
  282   1HG1  ILE  35          2HG1      ILE  35  -8.151   2.406 -11.953
  283   2HG1  ILE  35          1HG1      ILE  35  -9.706   2.931 -12.599
  284   1HG2  ILE  35          1HG2      ILE  35  -9.427   1.374  -8.658
  285   2HG2  ILE  35          2HG2      ILE  35  -8.237   2.483  -9.339
  286   3HG2  ILE  35          3HG2      ILE  35  -8.246   0.790  -9.831
  287   1HD1  ILE  35          1HD1      ILE  35  -9.832   4.752 -11.034
  288   2HD1  ILE  35          2HD1      ILE  35  -8.221   4.804 -11.750
  289   3HD1  ILE  35          3HD1      ILE  35  -8.445   4.146 -10.129
  290    H    GLY  36           H        GLY  36 -12.559  -0.529 -11.653
  291   1HA   GLY  36          2HA       GLY  36 -12.705  -1.395  -8.810
  292   2HA   GLY  36          1HA       GLY  36 -14.066  -1.345  -9.933
  293    H    ASP  37           H        ASP  37 -13.146  -2.712 -12.106
  294    HA   ASP  37           HA       ASP  37 -13.380  -5.460 -11.322
  295   1HB   ASP  37          2HB       ASP  37 -12.391  -4.139 -13.866
  296   2HB   ASP  37          1HB       ASP  37 -12.832  -5.840 -13.734
  297    H    THR  38           H        THR  38 -10.521  -3.632 -12.532
  298    HA   THR  38           HA       THR  38  -8.674  -5.807 -12.233
  299    HB   THR  38           HB       THR  38  -8.283  -3.808 -13.624
  300    HG1  THR  38           1HG      THR  38  -6.149  -3.458 -12.947
  301   1HG2  THR  38          1HG2      THR  38  -8.150  -2.365 -10.967
  302   2HG2  THR  38          2HG2      THR  38  -9.312  -2.087 -12.264
  303   3HG2  THR  38          3HG2      THR  38  -7.614  -1.677 -12.499
  304    H    ALA  39           H        ALA  39  -9.845  -3.327 -10.017
  305    HA   ALA  39           HA       ALA  39  -7.949  -3.744  -7.890
  306   1HB   ALA  39          1HB       ALA  39 -10.795  -2.730  -8.083
  307   2HB   ALA  39          2HB       ALA  39  -9.319  -1.787  -7.878
  308   3HB   ALA  39          3HB       ALA  39  -9.929  -2.771  -6.547
  309    H    LYS  40           H        LYS  40 -10.841  -5.435  -8.941
  310    HA   LYS  40           HA       LYS  40 -11.131  -7.059  -6.522
  311   1HB   LYS  40          2HB       LYS  40 -12.306  -6.935  -9.293
  312   2HB   LYS  40          1HB       LYS  40 -12.631  -8.336  -8.272
  313   1HG   LYS  40          2HG       LYS  40 -13.603  -6.956  -6.553
  314   2HG   LYS  40          1HG       LYS  40 -13.081  -5.481  -7.369
  315   1HD   LYS  40          2HD       LYS  40 -15.333  -5.640  -8.005
  316   2HD   LYS  40          1HD       LYS  40 -14.499  -6.383  -9.370
  317   1HE   LYS  40          2HE       LYS  40 -14.975  -8.609  -8.548
  318   2HE   LYS  40          1HE       LYS  40 -15.614  -7.958  -7.024
  319   1HZ   LYS  40          1HZ       LYS  40 -16.688  -7.311  -9.719
  320   2HZ   LYS  40          2HZ       LYS  40 -17.322  -6.800  -8.228
  321   3HZ   LYS  40          3HZ       LYS  40 -17.379  -8.442  -8.660
  322    H    LYS  41           H        LYS  41  -9.507  -7.316  -9.649
  323    HA   LYS  41           HA       LYS  41  -8.783 -10.150  -9.250
  324   1HB   LYS  41          2HB       LYS  41  -9.337  -8.889 -11.442
  325   2HB   LYS  41          1HB       LYS  41  -7.716  -8.204 -11.304
  326   1HG   LYS  41          2HG       LYS  41  -6.844 -10.578 -11.104
  327   2HG   LYS  41          1HG       LYS  41  -8.463 -11.128 -11.539
  328   1HD   LYS  41          2HD       LYS  41  -8.239  -9.554 -13.579
  329   2HD   LYS  41          1HD       LYS  41  -6.515  -9.540 -13.205
  330   1HE   LYS  41          2HE       LYS  41  -8.029 -12.145 -13.473
  331   2HE   LYS  41          1HE       LYS  41  -7.311 -11.338 -14.881
  332   1HZ   LYS  41          1HZ       LYS  41  -5.880 -12.041 -12.371
  333   2HZ   LYS  41          2HZ       LYS  41  -5.199 -11.242 -13.708
  334   3HZ   LYS  41          3HZ       LYS  41  -5.723 -12.852 -13.853
  335    H    LEU  42           H        LEU  42  -7.469  -6.998  -8.579
  336    HA   LEU  42           HA       LEU  42  -4.671  -7.859  -8.343
  337   1HB   LEU  42          2HB       LEU  42  -6.317  -5.418  -8.157
  338   2HB   LEU  42          1HB       LEU  42  -4.966  -5.449  -7.026
  339    HG   LEU  42           HG       LEU  42  -3.448  -6.017  -8.933
  340   1HD1  LEU  42          1HD1      LEU  42  -4.215  -5.945 -11.180
  341   2HD1  LEU  42          2HD1      LEU  42  -5.759  -5.233 -10.714
  342   3HD1  LEU  42          3HD1      LEU  42  -5.415  -6.919 -10.332
  343   1HD2  LEU  42          1HD2      LEU  42  -4.152  -3.636  -8.078
  344   2HD2  LEU  42          2HD2      LEU  42  -4.945  -3.516  -9.649
  345   3HD2  LEU  42          3HD2      LEU  42  -3.203  -3.785  -9.556
  346    H    GLY  43           H        GLY  43  -7.081  -6.587  -6.013
  347   1HA   GLY  43          2HA       GLY  43  -5.743  -7.217  -3.623
  348   2HA   GLY  43          1HA       GLY  43  -7.502  -7.167  -3.768
  349    H    GLU  44           H        GLU  44  -7.411  -9.342  -5.847
  350    HA   GLU  44           HA       GLU  44  -7.676 -11.624  -4.077
  351   1HB   GLU  44          2HB       GLU  44  -8.906 -11.219  -6.239
  352   2HB   GLU  44          1HB       GLU  44  -7.390 -11.485  -7.101
  353   1HG   GLU  44          2HG       GLU  44  -8.393 -13.607  -7.163
  354   2HG   GLU  44          1HG       GLU  44  -7.309 -13.731  -5.777
  355    H    MET  45           H        MET  45  -5.216 -10.466  -6.371
  356    HA   MET  45           HA       MET  45  -3.431 -12.744  -5.948
  357   1HB   MET  45          2HB       MET  45  -3.476 -10.149  -7.441
  358   2HB   MET  45          1HB       MET  45  -1.908 -10.908  -7.161
  359   1HG   MET  45          2HG       MET  45  -2.934 -13.057  -8.078
  360   2HG   MET  45          1HG       MET  45  -4.298 -12.071  -8.607
  361   1HE   MET  45          1HE       MET  45  -4.331 -11.463 -11.129
  362   2HE   MET  45          2HE       MET  45  -3.853 -13.127 -10.803
  363   3HE   MET  45          3HE       MET  45  -3.012 -12.203 -12.045
  364    H    TRP  46           H        TRP  46  -3.570  -9.328  -4.883
  365    HA   TRP  46           HA       TRP  46  -1.140  -9.115  -3.450
  366   1HB   TRP  46          2HB       TRP  46  -2.640  -7.256  -3.848
  367   2HB   TRP  46          1HB       TRP  46  -3.926  -8.012  -2.920
  368    HD1  TRP  46           HD       TRP  46  -4.135  -6.984  -0.599
  369    HE1  TRP  46           1HE      TRP  46  -2.514  -5.953   1.122
  370    HE3  TRP  46           3HE      TRP  46   0.253  -7.473  -3.139
  371    HZ2  TRP  46           2HZ      TRP  46   0.287  -5.410   1.378
  372    HZ3  TRP  46           3HZ      TRP  46   2.383  -6.694  -2.142
  373    HH2  TRP  46           HH       TRP  46   2.401  -5.671   0.107
  374    H    SER  47           H        SER  47  -4.300 -10.343  -2.264
  375    HA   SER  47           HA       SER  47  -3.391 -11.027   0.376
  376   1HB   SER  47          2HB       SER  47  -5.760 -10.725  -0.472
  377   2HB   SER  47          1HB       SER  47  -5.608 -12.290  -1.266
  378    HG   SER  47           HG       SER  47  -6.540 -12.475   0.813
  379    H    GLU  48           H        GLU  48  -2.659 -12.451  -2.661
  380    HA   GLU  48           HA       GLU  48  -2.106 -15.115  -1.473
  381   1HB   GLU  48          2HB       GLU  48  -2.524 -13.964  -4.228
  382   2HB   GLU  48          1HB       GLU  48  -1.739 -15.529  -4.028
  383   1HG   GLU  48          2HG       GLU  48  -3.729 -16.207  -2.587
  384   2HG   GLU  48          1HG       GLU  48  -4.523 -14.737  -3.154
  385    H    GLN  49           H        GLN  49  -0.552 -12.155  -2.414
  386    HA   GLN  49           HA       GLN  49   1.969 -13.092  -3.339
  387   1HB   GLN  49          2HB       GLN  49   1.181 -10.670  -1.680
  388   2HB   GLN  49          1HB       GLN  49   2.730 -10.845  -2.499
  389   1HG   GLN  49          2HG       GLN  49   0.019 -10.832  -3.847
  390   2HG   GLN  49          1HG       GLN  49   1.166  -9.499  -3.846
  391   1HE2  GLN  49          1HE2      GLN  49   0.135 -11.180  -6.159
  392   2HE2  GLN  49          2HE2      GLN  49   1.530 -11.787  -6.909
  393    H    SER  50           H        SER  50   3.796 -13.782  -2.225
  394    HA   SER  50           HA       SER  50   3.413 -14.570   0.604
  395   1HB   SER  50          2HB       SER  50   5.407 -15.951   0.133
  396   2HB   SER  50          1HB       SER  50   4.211 -16.159  -1.145
  397    HG   SER  50           HG       SER  50   6.613 -15.610  -1.588
  398    H    ALA  51           H        ALA  51   6.722 -14.188   0.175
  399    HA   ALA  51           HA       ALA  51   6.644 -11.544   1.557
  400   1HB   ALA  51          1HB       ALA  51   7.691 -13.201   2.882
  401   2HB   ALA  51          2HB       ALA  51   9.047 -12.355   2.136
  402   3HB   ALA  51          3HB       ALA  51   8.518 -13.911   1.496
  403    H    LYS  52           H        LYS  52   7.249 -12.805  -1.527
  404    HA   LYS  52           HA       LYS  52   9.577 -11.170  -2.219
  405   1HB   LYS  52          2HB       LYS  52   8.782 -13.409  -3.218
  406   2HB   LYS  52          1HB       LYS  52   7.558 -12.464  -4.068
  407   1HG   LYS  52          2HG       LYS  52   9.339 -11.074  -5.077
  408   2HG   LYS  52          1HG       LYS  52  10.557 -12.041  -4.245
  409   1HD   LYS  52          2HD       LYS  52  10.089 -13.961  -5.527
  410   2HD   LYS  52          1HD       LYS  52   8.513 -13.350  -6.031
  411   1HE   LYS  52          2HE       LYS  52   9.625 -11.593  -7.383
  412   2HE   LYS  52          1HE       LYS  52  11.207 -12.235  -6.896
  413   1HZ   LYS  52          1HZ       LYS  52   9.063 -13.763  -8.279
  414   2HZ   LYS  52          2HZ       LYS  52  10.560 -14.394  -7.781
  415   3HZ   LYS  52          3HZ       LYS  52  10.496 -13.208  -8.996
  416    H    ASP  53           H        ASP  53   6.057 -11.022  -2.741
  417    HA   ASP  53           HA       ASP  53   6.364  -8.153  -3.574
  418   1HB   ASP  53          2HB       ASP  53   4.966 -10.490  -4.710
  419   2HB   ASP  53          1HB       ASP  53   3.972  -9.038  -4.613
  420    H    LYS  54           H        LYS  54   6.163  -8.468  -0.944
  421    HA   LYS  54           HA       LYS  54   3.603  -7.302  -0.236
  422   1HB   LYS  54          2HB       LYS  54   3.606 -10.012  -0.502
  423   2HB   LYS  54          1HB       LYS  54   4.023  -9.849   1.198
  424   1HG   LYS  54          2HG       LYS  54   2.037  -8.154   1.280
  425   2HG   LYS  54          1HG       LYS  54   1.556  -8.888  -0.245
  426   1HD   LYS  54          2HD       LYS  54   0.376 -10.085   1.434
  427   2HD   LYS  54          1HD       LYS  54   1.703 -11.135   0.942
  428   1HE   LYS  54          2HE       LYS  54   1.868 -11.229   3.288
  429   2HE   LYS  54          1HE       LYS  54   2.997  -9.912   2.910
  430   1HZ   LYS  54          1HZ       LYS  54   1.202  -8.326   3.188
  431   2HZ   LYS  54          2HZ       LYS  54   1.391  -9.242   4.608
  432   3HZ   LYS  54          3HZ       LYS  54   0.110  -9.576   3.541
  433    H    GLN  55           H        GLN  55   6.623  -8.828   0.855
  434    HA   GLN  55           HA       GLN  55   6.524  -7.789   3.562
  435   1HB   GLN  55          2HB       GLN  55   8.420  -9.183   1.746
  436   2HB   GLN  55          1HB       GLN  55   9.147  -8.285   3.077
  437   1HG   GLN  55          2HG       GLN  55   6.915 -10.312   3.403
  438   2HG   GLN  55          1HG       GLN  55   8.623 -10.664   3.666
  439   1HE2  GLN  55          1HE2      GLN  55   5.783  -9.295   5.112
  440   2HE2  GLN  55          2HE2      GLN  55   6.517  -8.749   6.542
  441    HA   PRO  56           HA       PRO  56   9.463  -4.409   1.895
  442   1HB   PRO  56          2HB       PRO  56   9.817  -4.163  -0.806
  443   2HB   PRO  56          1HB       PRO  56  10.846  -5.186   0.215
  444   1HG   PRO  56          2HG       PRO  56   8.591  -5.949  -1.567
  445   2HG   PRO  56          1HG       PRO  56  10.121  -6.784  -1.259
  446   1HD   PRO  56          2HD       PRO  56   7.744  -7.513  -0.148
  447   2HD   PRO  56          1HD       PRO  56   9.321  -7.835   0.602
  448    H    TYR  57           H        TYR  57   6.382  -5.190   0.659
  449    HA   TYR  57           HA       TYR  57   5.803  -2.549  -0.508
  450   1HB   TYR  57          2HB       TYR  57   4.318  -5.131   0.001
  451   2HB   TYR  57          1HB       TYR  57   3.474  -3.693  -0.575
  452    HD1  TYR  57           1HD      TYR  57   3.293  -3.383  -2.874
  453    HD2  TYR  57           2HD      TYR  57   6.577  -5.677  -1.326
  454    HE1  TYR  57           1HE      TYR  57   4.049  -3.859  -5.185
  455    HE2  TYR  57           2HE      TYR  57   7.332  -6.155  -3.639
  456    HH   TYR  57           HH       TYR  57   5.483  -5.832  -6.278
  457    H    GLU  58           H        GLU  58   5.154  -4.374   2.460
  458    HA   GLU  58           HA       GLU  58   3.392  -2.293   3.563
  459   1HB   GLU  58          2HB       GLU  58   3.386  -3.830   5.523
  460   2HB   GLU  58          1HB       GLU  58   3.019  -4.672   4.020
  461   1HG   GLU  58          2HG       GLU  58   4.878  -5.958   4.156
  462   2HG   GLU  58          1HG       GLU  58   5.894  -4.586   4.595
  463    H    GLN  59           H        GLN  59   6.818  -2.997   3.579
  464    HA   GLN  59           HA       GLN  59   7.324  -1.321   5.972
  465   1HB   GLN  59          2HB       GLN  59   9.146  -2.749   4.012
  466   2HB   GLN  59          1HB       GLN  59   9.664  -2.002   5.520
  467   1HG   GLN  59          2HG       GLN  59   8.101  -3.523   6.753
  468   2HG   GLN  59          1HG       GLN  59   7.752  -4.336   5.228
  469   1HE2  GLN  59          1HE2      GLN  59   9.430  -5.676   4.283
  470   2HE2  GLN  59          2HE2      GLN  59  10.824  -6.106   5.151
  471    H    LYS  60           H        LYS  60   6.902  -0.889   2.608
  472    HA   LYS  60           HA       LYS  60   8.699   1.459   2.396
  473   1HB   LYS  60          2HB       LYS  60   8.371  -0.299   0.593
  474   2HB   LYS  60          1HB       LYS  60   6.714   0.282   0.423
  475   1HG   LYS  60          2HG       LYS  60   7.553   2.539  -0.110
  476   2HG   LYS  60          1HG       LYS  60   9.211   1.962   0.057
  477   1HD   LYS  60          2HD       LYS  60   8.620   0.217  -1.726
  478   2HD   LYS  60          1HD       LYS  60   7.169   1.173  -2.025
  479   1HE   LYS  60          2HE       LYS  60   8.771   3.193  -2.270
  480   2HE   LYS  60          1HE       LYS  60  10.055   1.977  -2.425
  481   1HZ   LYS  60          1HZ       LYS  60   7.548   2.047  -4.021
  482   2HZ   LYS  60          2HZ       LYS  60   8.787   0.893  -4.165
  483   3HZ   LYS  60          3HZ       LYS  60   9.078   2.514  -4.586
  484    H    ALA  61           H        ALA  61   5.310   0.581   2.731
  485    HA   ALA  61           HA       ALA  61   4.394   3.383   2.447
  486   1HB   ALA  61          1HB       ALA  61   2.601   1.162   3.298
  487   2HB   ALA  61          2HB       ALA  61   3.361   0.981   1.716
  488   3HB   ALA  61          3HB       ALA  61   2.350   2.386   2.053
  489    H    ALA  62           H        ALA  62   5.027   0.932   4.889
  490    HA   ALA  62           HA       ALA  62   3.569   2.062   7.082
  491   1HB   ALA  62          1HB       ALA  62   6.047   0.342   6.808
  492   2HB   ALA  62          2HB       ALA  62   4.415  -0.169   7.234
  493   3HB   ALA  62          3HB       ALA  62   5.376   0.759   8.385
  494    H    LYS  63           H        LYS  63   6.998   2.552   6.023
  495    HA   LYS  63           HA       LYS  63   7.477   4.556   8.094
  496   1HB   LYS  63          2HB       LYS  63   9.114   2.954   6.902
  497   2HB   LYS  63          1HB       LYS  63   9.037   4.080   5.547
  498   1HG   LYS  63          2HG       LYS  63  10.058   5.805   6.745
  499   2HG   LYS  63          1HG       LYS  63   9.597   5.125   8.306
  500   1HD   LYS  63          2HD       LYS  63  11.970   4.761   8.015
  501   2HD   LYS  63          1HD       LYS  63  11.159   3.203   7.846
  502   1HE   LYS  63          2HE       LYS  63  11.125   3.684   5.310
  503   2HE   LYS  63          1HE       LYS  63  12.317   4.950   5.665
  504   1HZ   LYS  63          1HZ       LYS  63  13.656   3.311   6.838
  505   2HZ   LYS  63          2HZ       LYS  63  13.412   2.834   5.226
  506   3HZ   LYS  63          3HZ       LYS  63  12.529   2.098   6.476
  507    H    LEU  64           H        LEU  64   5.816   4.597   5.110
  508    HA   LEU  64           HA       LEU  64   6.447   7.411   4.455
  509   1HB   LEU  64          2HB       LEU  64   5.236   5.031   3.213
  510   2HB   LEU  64          1HB       LEU  64   4.375   6.524   2.841
  511    HG   LEU  64           HG       LEU  64   6.153   6.046   1.180
  512   1HD1  LEU  64          1HD1      LEU  64   5.480   8.413   1.987
  513   2HD1  LEU  64          2HD1      LEU  64   6.978   8.254   1.072
  514   3HD1  LEU  64          3HD1      LEU  64   7.031   8.416   2.827
  515   1HD2  LEU  64          1HD2      LEU  64   8.324   5.595   1.737
  516   2HD2  LEU  64          2HD2      LEU  64   7.617   5.124   3.283
  517   3HD2  LEU  64          3HD2      LEU  64   8.319   6.730   3.086
  518    H    LYS  65           H        LYS  65   3.957   5.446   5.969
  519    HA   LYS  65           HA       LYS  65   1.839   7.412   5.986
  520   1HB   LYS  65          2HB       LYS  65   1.440   5.028   6.316
  521   2HB   LYS  65          1HB       LYS  65   2.515   4.993   7.714
  522   1HG   LYS  65          2HG       LYS  65   0.999   6.314   9.020
  523   2HG   LYS  65          1HG       LYS  65   0.034   6.730   7.602
  524   1HD   LYS  65          2HD       LYS  65  -0.637   4.378   7.350
  525   2HD   LYS  65          1HD       LYS  65   0.349   3.939   8.745
  526   1HE   LYS  65          2HE       LYS  65  -1.771   6.069   9.012
  527   2HE   LYS  65          1HE       LYS  65  -2.197   4.351   9.140
  528   1HZ   LYS  65          1HZ       LYS  65  -1.554   5.262  11.299
  529   2HZ   LYS  65          2HZ       LYS  65  -0.040   5.710  10.671
  530   3HZ   LYS  65          3HZ       LYS  65  -0.462   4.069  10.790
  531    H    GLU  66           H        GLU  66   4.309   6.439   8.374
  532    HA   GLU  66           HA       GLU  66   3.662   8.274  10.450
  533   1HB   GLU  66          2HB       GLU  66   6.190   6.919   9.498
  534   2HB   GLU  66          1HB       GLU  66   6.198   7.964  10.920
  535   1HG   GLU  66          2HG       GLU  66   4.234   6.552  11.775
  536   2HG   GLU  66          1HG       GLU  66   4.645   5.406  10.498
  537    H    LYS  67           H        LYS  67   5.687   8.664   7.554
  538    HA   LYS  67           HA       LYS  67   6.770  11.251   8.159
  539   1HB   LYS  67          2HB       LYS  67   6.274   9.566   5.724
  540   2HB   LYS  67          1HB       LYS  67   6.779  11.241   5.502
  541   1HG   LYS  67          2HG       LYS  67   8.589  10.587   7.329
  542   2HG   LYS  67          1HG       LYS  67   8.277   8.958   6.727
  543   1HD   LYS  67          2HD       LYS  67   8.748   9.713   4.426
  544   2HD   LYS  67          1HD       LYS  67   9.066  11.341   5.026
  545   1HE   LYS  67          2HE       LYS  67  10.820  10.203   6.576
  546   2HE   LYS  67          1HE       LYS  67  10.689   8.834   5.454
  547   1HZ   LYS  67          1HZ       LYS  67  11.193  11.652   4.654
  548   2HZ   LYS  67          2HZ       LYS  67  11.118  10.311   3.613
  549   3HZ   LYS  67          3HZ       LYS  67  12.382  10.446   4.741
  550    H    TYR  68           H        TYR  68   3.660  10.201   6.905
  551    HA   TYR  68           HA       TYR  68   2.750  12.723   5.834
  552   1HB   TYR  68          2HB       TYR  68   1.876  10.288   5.585
  553   2HB   TYR  68          1HB       TYR  68   1.030  10.584   7.099
  554    HD1  TYR  68           1HD      TYR  68   1.709  12.667   4.042
  555    HD2  TYR  68           2HD      TYR  68  -1.219  11.032   6.727
  556    HE1  TYR  68           1HE      TYR  68  -0.087  13.842   2.803
  557    HE2  TYR  68           2HE      TYR  68  -3.014  12.207   5.486
  558    HH   TYR  68           HH       TYR  68  -3.125  13.106   2.832
  559    H    GLU  69           H        GLU  69   2.703  11.241   9.028
  560    HA   GLU  69           HA       GLU  69   0.899  12.965  10.386
  561   1HB   GLU  69          2HB       GLU  69   3.431  11.583  11.340
  562   2HB   GLU  69          1HB       GLU  69   2.152  12.189  12.393
  563   1HG   GLU  69          2HG       GLU  69   0.601  10.708  10.853
  564   2HG   GLU  69          1HG       GLU  69   2.106   9.854  10.512
  565    H    LYS  70           H        LYS  70   4.400  13.323   9.768
  566    HA   LYS  70           HA       LYS  70   4.567  15.880  11.200
  567   1HB   LYS  70          2HB       LYS  70   6.379  14.197   9.451
  568   2HB   LYS  70          1HB       LYS  70   6.881  15.781  10.042
  569   1HG   LYS  70          2HG       LYS  70   7.691  14.386  11.726
  570   2HG   LYS  70          1HG       LYS  70   6.114  14.836  12.375
  571   1HD   LYS  70          2HD       LYS  70   5.145  12.766  11.788
  572   2HD   LYS  70          1HD       LYS  70   6.439  12.385  10.650
  573   1HE   LYS  70          2HE       LYS  70   7.027  11.049  12.490
  574   2HE   LYS  70          1HE       LYS  70   7.958  12.523  12.825
  575   1HZ   LYS  70          1HZ       LYS  70   6.641  11.888  14.753
  576   2HZ   LYS  70          2HZ       LYS  70   5.219  11.934  13.823
  577   3HZ   LYS  70          3HZ       LYS  70   6.092  13.362  14.119
  578    H    ASP  71           H        ASP  71   4.289  14.711   7.885
  579    HA   ASP  71           HA       ASP  71   4.672  17.212   6.512
  580   1HB   ASP  71          2HB       ASP  71   3.654  14.482   6.010
  581   2HB   ASP  71          1HB       ASP  71   2.959  15.712   4.959
  582    H    ILE  72           H        ILE  72   1.700  15.458   7.443
  583    HA   ILE  72           HA       ILE  72  -0.124  17.576   6.741
  584    HB   ILE  72           HB       ILE  72  -0.219  15.142   8.554
  585   1HG1  ILE  72          2HG1      ILE  72  -0.066  14.772   6.113
  586   2HG1  ILE  72          1HG1      ILE  72  -1.617  14.230   6.751
  587   1HG2  ILE  72          1HG2      ILE  72  -2.395  17.164   7.969
  588   2HG2  ILE  72          2HG2      ILE  72  -1.881  16.541   9.535
  589   3HG2  ILE  72          3HG2      ILE  72  -2.769  15.501   8.421
  590   1HD1  ILE  72          1HD1      ILE  72  -2.557  16.500   6.074
  591   2HD1  ILE  72          2HD1      ILE  72  -2.099  15.448   4.737
  592   3HD1  ILE  72          3HD1      ILE  72  -1.047  16.774   5.212
  593    H    ALA  73           H        ALA  73   1.701  16.804   9.669
  594    HA   ALA  73           HA       ALA  73   0.436  18.492  11.558
  595   1HB   ALA  73          1HB       ALA  73   3.199  17.424  11.090
  596   2HB   ALA  73          2HB       ALA  73   2.084  17.089  12.415
  597   3HB   ALA  73          3HB       ALA  73   2.967  18.615  12.369
  598    H    ALA  74           H        ALA  74   3.030  19.283   9.225
  599    HA   ALA  74           HA       ALA  74   3.266  22.062  10.012
  600   1HB   ALA  74          1HB       ALA  74   3.983  20.644   7.424
  601   2HB   ALA  74          2HB       ALA  74   5.008  20.703   8.858
  602   3HB   ALA  74          3HB       ALA  74   4.639  22.186   7.977
  603    H    TYR  75           H        TYR  75   0.959  20.336   8.102
  604    HA   TYR  75           HA       TYR  75   0.025  22.843   6.771
  605   1HB   TYR  75          2HB       TYR  75   0.539  20.813   5.407
  606   2HB   TYR  75          1HB       TYR  75  -0.696  19.929   6.307
  607    HD1  TYR  75           1HD      TYR  75  -2.780  19.772   5.286
  608    HD2  TYR  75           2HD      TYR  75  -0.360  23.247   4.569
  609    HE1  TYR  75           1HE      TYR  75  -4.526  20.676   3.773
  610    HE2  TYR  75           2HE      TYR  75  -2.105  24.151   3.057
  611    HH   TYR  75           HH       TYR  75  -5.213  23.057   2.978
  612    H    ARG  76           H        ARG  76  -0.599  20.833   9.448
  613    HA   ARG  76           HA       ARG  76  -3.443  20.755   9.620
  614   1HB   ARG  76          2HB       ARG  76  -1.770  19.596  11.093
  615   2HB   ARG  76          1HB       ARG  76  -1.413  21.150  11.847
  616   1HG   ARG  76          2HG       ARG  76  -3.581  21.327  12.780
  617   2HG   ARG  76          1HG       ARG  76  -4.232  20.081  11.714
  618   1HD   ARG  76          2HD       ARG  76  -3.363  18.346  12.983
  619   2HD   ARG  76          1HD       ARG  76  -1.994  19.320  13.561
  620    HE   ARG  76           HE       ARG  76  -4.788  19.908  14.460
  621   1HH1  ARG  76          1HH1      ARG  76  -1.760  20.981  15.015
  622   2HH1  ARG  76          2HH1      ARG  76  -1.689  20.591  16.702
  623   1HH2  ARG  76          1HH2      ARG  76  -4.577  18.672  16.649
  624   2HH2  ARG  76          2HH2      ARG  76  -3.285  19.284  17.626
  625    H    ALA  77           H        ALA  77  -1.262  23.080  11.250
  626    HA   ALA  77           HA       ALA  77  -3.478  25.076  11.335
  627   1HB   ALA  77          1HB       ALA  77  -2.232  24.424  13.404
  628   2HB   ALA  77          2HB       ALA  77  -2.039  26.137  13.028
  629   3HB   ALA  77          3HB       ALA  77  -0.741  25.002  12.658
  630    H    LYS  78           H        LYS  78  -3.032  25.225   8.872
  631    HA   LYS  78           HA       LYS  78  -2.162  26.425   7.036
  632   1HB   LYS  78          2HB       LYS  78  -2.837  28.271   8.558
  633   2HB   LYS  78          1HB       LYS  78  -1.235  28.228   9.295
  634   1HG   LYS  78          2HG       LYS  78  -0.644  28.403   6.596
  635   2HG   LYS  78          1HG       LYS  78  -2.086  29.408   6.739
  636   1HD   LYS  78          2HD       LYS  78  -0.368  30.932   7.210
  637   2HD   LYS  78          1HD       LYS  78  -0.867  30.418   8.822
  638   1HE   LYS  78          2HE       LYS  78   1.011  28.990   9.078
  639   2HE   LYS  78          1HE       LYS  78   1.357  29.000   7.338
  640   1HZ   LYS  78          1HZ       LYS  78   1.794  31.371   7.466
  641   2HZ   LYS  78          2HZ       LYS  78   2.814  30.532   8.534
  642   3HZ   LYS  78          3HZ       LYS  78   1.463  31.371   9.130
  Start of MODEL   18
    1   1H    MET   1          1HT       MET   1  -9.582  18.214  -2.145
    2   2H    MET   1          2HT       MET   1  -8.352  18.723  -3.203
    3   3H    MET   1          3HT       MET   1  -8.060  17.466  -2.097
    4    HA   MET   1           HA       MET   1  -9.685  16.059  -3.244
    5   1HB   MET   1          2HB       MET   1  -9.985  18.688  -4.656
    6   2HB   MET   1          1HB       MET   1 -10.310  17.208  -5.558
    7   1HG   MET   1          2HG       MET   1 -11.957  16.509  -3.902
    8   2HG   MET   1          1HG       MET   1 -11.575  17.903  -2.892
    9   1HE   MET   1          1HE       MET   1 -12.326  16.688  -6.267
   10   2HE   MET   1          2HE       MET   1 -13.413  17.834  -7.047
   11   3HE   MET   1          3HE       MET   1 -14.040  16.723  -5.832
   12    H    LYS   2           H        LYS   2  -7.874  18.261  -5.411
   13    HA   LYS   2           HA       LYS   2  -6.654  16.200  -6.959
   14   1HB   LYS   2          2HB       LYS   2  -5.184  18.060  -7.709
   15   2HB   LYS   2          1HB       LYS   2  -6.872  18.560  -7.637
   16   1HG   LYS   2          2HG       LYS   2  -6.155  19.234  -5.140
   17   2HG   LYS   2          1HG       LYS   2  -4.577  19.374  -5.913
   18   1HD   LYS   2          2HD       LYS   2  -5.632  20.826  -7.669
   19   2HD   LYS   2          1HD       LYS   2  -7.129  20.786  -6.736
   20   1HE   LYS   2          2HE       LYS   2  -6.257  22.099  -5.021
   21   2HE   LYS   2          1HE       LYS   2  -4.588  21.590  -5.346
   22   1HZ   LYS   2          1HZ       LYS   2  -5.077  23.859  -6.160
   23   2HZ   LYS   2          2HZ       LYS   2  -6.243  23.207  -7.210
   24   3HZ   LYS   2          3HZ       LYS   2  -4.604  22.801  -7.398
   25    H    LYS   3           H        LYS   3  -4.201  15.861  -7.031
   26    HA   LYS   3           HA       LYS   3  -2.942  15.931  -4.317
   27   1HB   LYS   3          2HB       LYS   3  -4.121  13.748  -4.833
   28   2HB   LYS   3          1HB       LYS   3  -3.000  13.535  -6.178
   29   1HG   LYS   3          2HG       LYS   3  -1.771  14.178  -3.552
   30   2HG   LYS   3          1HG       LYS   3  -2.510  12.583  -3.691
   31   1HD   LYS   3          2HD       LYS   3  -1.185  12.150  -5.732
   32   2HD   LYS   3          1HD       LYS   3  -0.435  13.739  -5.577
   33   1HE   LYS   3          2HE       LYS   3  -0.321  11.941  -3.189
   34   2HE   LYS   3          1HE       LYS   3   0.743  11.562  -4.559
   35   1HZ   LYS   3          1HZ       LYS   3   1.462  13.880  -4.581
   36   2HZ   LYS   3          2HZ       LYS   3   1.805  13.152  -3.084
   37   3HZ   LYS   3          3HZ       LYS   3   0.485  14.212  -3.234
   38    H    ASP   4           H        ASP   4  -1.320  17.392  -4.883
   39    HA   ASP   4           HA       ASP   4   0.217  16.982  -7.392
   40   1HB   ASP   4          2HB       ASP   4   0.134  19.108  -5.230
   41   2HB   ASP   4          1HB       ASP   4   1.238  19.172  -6.604
   42    HA   PRO   5           HA       PRO   5   3.577  15.028  -5.305
   43   1HB   PRO   5          2HB       PRO   5   5.740  15.973  -6.690
   44   2HB   PRO   5          1HB       PRO   5   4.618  14.769  -7.355
   45   1HG   PRO   5          2HG       PRO   5   4.762  17.700  -7.857
   46   2HG   PRO   5          1HG       PRO   5   4.425  16.376  -8.984
   47   1HD   PRO   5          2HD       PRO   5   2.489  17.976  -7.934
   48   2HD   PRO   5          1HD       PRO   5   2.205  16.292  -8.428
   49    H    ASN   6           H        ASN   6   3.565  18.519  -5.652
   50    HA   ASN   6           HA       ASN   6   5.788  19.220  -4.013
   51   1HB   ASN   6          2HB       ASN   6   3.153  20.486  -4.752
   52   2HB   ASN   6          1HB       ASN   6   4.263  21.310  -3.656
   53   1HD2  ASN   6          1HD2      ASN   6   3.913  20.089  -6.982
   54   2HD2  ASN   6          2HD2      ASN   6   5.215  20.972  -7.621
   55    H    ALA   7           H        ALA   7   2.407  18.450  -3.163
   56    HA   ALA   7           HA       ALA   7   3.103  18.734  -0.272
   57   1HB   ALA   7          1HB       ALA   7   0.417  18.397  -1.637
   58   2HB   ALA   7          2HB       ALA   7   1.158  19.958  -1.288
   59   3HB   ALA   7          3HB       ALA   7   0.695  18.887   0.034
   60    HA   PRO   8           HA       PRO   8   2.928  14.320  -0.042
   61   1HB   PRO   8          2HB       PRO   8   3.096  14.043   2.656
   62   2HB   PRO   8          1HB       PRO   8   4.472  14.386   1.595
   63   1HG   PRO   8          2HG       PRO   8   3.131  16.128   3.488
   64   2HG   PRO   8          1HG       PRO   8   4.689  16.262   2.681
   65   1HD   PRO   8          2HD       PRO   8   2.274  17.642   2.031
   66   2HD   PRO   8          1HD       PRO   8   3.878  17.801   1.290
   67    H    LYS   9           H        LYS   9   0.536  14.531  -0.749
   68    HA   LYS   9           HA       LYS   9  -1.614  14.706   1.135
   69   1HB   LYS   9          2HB       LYS   9  -1.212  13.561  -1.627
   70   2HB   LYS   9          1HB       LYS   9  -2.779  13.458  -0.829
   71   1HG   LYS   9          2HG       LYS   9  -1.242  16.035  -1.245
   72   2HG   LYS   9          1HG       LYS   9  -2.558  15.483  -2.280
   73   1HD   LYS   9          2HD       LYS   9  -4.102  16.265  -0.839
   74   2HD   LYS   9          1HD       LYS   9  -3.383  15.364   0.494
   75   1HE   LYS   9          2HE       LYS   9  -2.019  17.159   1.143
   76   2HE   LYS   9          1HE       LYS   9  -2.085  17.915  -0.462
   77   1HZ   LYS   9          1HZ       LYS   9  -4.450  17.549   1.298
   78   2HZ   LYS   9          2HZ       LYS   9  -4.383  18.416  -0.162
   79   3HZ   LYS   9          3HZ       LYS   9  -3.560  18.990   1.208
   80    H    ARG  10           H        ARG  10  -3.144  12.470   0.764
   81    HA   ARG  10           HA       ARG  10  -2.559  10.706   2.813
   82   1HB   ARG  10          2HB       ARG  10  -3.973  10.354   0.170
   83   2HB   ARG  10          1HB       ARG  10  -3.980   9.087   1.396
   84   1HG   ARG  10          2HG       ARG  10  -4.701  11.063   2.994
   85   2HG   ARG  10          1HG       ARG  10  -5.226  11.811   1.485
   86   1HD   ARG  10          2HD       ARG  10  -6.016   8.977   2.193
   87   2HD   ARG  10          1HD       ARG  10  -6.982  10.375   2.701
   88    HE   ARG  10           HE       ARG  10  -6.666  10.943   0.082
   89   1HH1  ARG  10          1HH1      ARG  10  -5.970   7.923  -0.106
   90   2HH1  ARG  10          2HH1      ARG  10  -7.495   7.291  -0.630
   91   1HH2  ARG  10          1HH2      ARG  10  -9.263  10.163   0.176
   92   2HH2  ARG  10          2HH2      ARG  10  -9.359   8.559  -0.470
   93    HA   PRO  11           HA       PRO  11   1.098   8.672   1.089
   94   1HB   PRO  11          2HB       PRO  11   1.629   7.096   3.266
   95   2HB   PRO  11          1HB       PRO  11   2.074   8.811   3.182
   96   1HG   PRO  11          2HG       PRO  11  -0.240   7.519   4.539
   97   2HG   PRO  11          1HG       PRO  11   0.785   8.856   5.084
   98   1HD   PRO  11          2HD       PRO  11  -1.692   9.221   4.043
   99   2HD   PRO  11          1HD       PRO  11  -0.389  10.419   3.890
  100    HA   PRO  12           HA       PRO  12  -0.430   4.766  -0.265
  101   1HB   PRO  12          2HB       PRO  12   1.676   3.032   0.019
  102   2HB   PRO  12          1HB       PRO  12   1.607   4.277  -1.245
  103   1HG   PRO  12          2HG       PRO  12   3.047   4.308   1.364
  104   2HG   PRO  12          1HG       PRO  12   3.581   4.879  -0.225
  105   1HD   PRO  12          2HD       PRO  12   2.693   6.557   1.698
  106   2HD   PRO  12          1HD       PRO  12   2.459   6.880  -0.034
  107    H    SER  13           H        SER  13  -0.031   2.154   0.583
  108    HA   SER  13           HA       SER  13  -0.128   1.882   3.481
  109   1HB   SER  13          2HB       SER  13  -2.567   1.347   3.545
  110   2HB   SER  13          1HB       SER  13  -2.257   3.017   3.081
  111    HG   SER  13           HG       SER  13  -2.990   0.813   1.467
  112    H    ALA  14           H        ALA  14   1.326   0.483   1.448
  113    HA   ALA  14           HA       ALA  14   1.934  -1.729   0.995
  114   1HB   ALA  14          1HB       ALA  14   1.302  -3.258   2.560
  115   2HB   ALA  14          2HB       ALA  14  -0.414  -2.996   2.247
  116   3HB   ALA  14          3HB       ALA  14   0.461  -1.912   3.328
  117    H    PHE  15           H        PHE  15  -1.655  -1.964   1.070
  118    HA   PHE  15           HA       PHE  15  -1.851  -3.383  -1.387
  119   1HB   PHE  15          2HB       PHE  15  -3.604  -3.205   0.356
  120   2HB   PHE  15          1HB       PHE  15  -3.820  -1.500  -0.041
  121    HD1  PHE  15           1HD      PHE  15  -5.768  -1.119  -1.257
  122    HD2  PHE  15           2HD      PHE  15  -3.463  -4.655  -2.055
  123    HE1  PHE  15           1HE      PHE  15  -7.338  -1.732  -3.077
  124    HE2  PHE  15           2HE      PHE  15  -5.034  -5.269  -3.874
  125    HZ   PHE  15           HZ       PHE  15  -6.971  -3.806  -4.387
  126    H    PHE  16           H        PHE  16  -1.470   0.054  -0.766
  127    HA   PHE  16           HA       PHE  16  -2.415   0.967  -3.352
  128   1HB   PHE  16          2HB       PHE  16  -2.009   2.173  -1.032
  129   2HB   PHE  16          1HB       PHE  16  -0.386   2.425  -1.675
  130    HD1  PHE  16           1HD      PHE  16  -0.205   3.427  -4.064
  131    HD2  PHE  16           2HD      PHE  16  -3.759   3.612  -1.659
  132    HE1  PHE  16           1HE      PHE  16  -1.040   5.312  -5.443
  133    HE2  PHE  16           2HE      PHE  16  -4.595   5.495  -3.037
  134    HZ   PHE  16           HZ       PHE  16  -3.235   6.347  -4.929
  135    H    LEU  17           H        LEU  17   0.690  -0.160  -2.117
  136    HA   LEU  17           HA       LEU  17   2.299   0.757  -4.355
  137   1HB   LEU  17          2HB       LEU  17   2.535  -1.384  -2.229
  138   2HB   LEU  17          1HB       LEU  17   3.794  -1.149  -3.443
  139    HG   LEU  17           HG       LEU  17   3.619   1.374  -2.715
  140   1HD1  LEU  17          1HD1      LEU  17   2.379  -0.143  -0.413
  141   2HD1  LEU  17          2HD1      LEU  17   1.753   1.285  -1.238
  142   3HD1  LEU  17          3HD1      LEU  17   3.164   1.420  -0.190
  143   1HD2  LEU  17          1HD2      LEU  17   5.520  -0.323  -2.380
  144   2HD2  LEU  17          2HD2      LEU  17   4.869  -0.557  -0.758
  145   3HD2  LEU  17          3HD2      LEU  17   5.460   1.029  -1.249
  146    H    PHE  18           H        PHE  18   1.483  -2.566  -3.488
  147    HA   PHE  18           HA       PHE  18   1.817  -4.021  -5.777
  148   1HB   PHE  18          2HB       PHE  18   0.903  -4.913  -3.687
  149   2HB   PHE  18          1HB       PHE  18  -0.607  -4.041  -3.945
  150    HD1  PHE  18           1HD      PHE  18   1.565  -6.753  -5.286
  151    HD2  PHE  18           2HD      PHE  18  -2.319  -4.920  -5.354
  152    HE1  PHE  18           1HE      PHE  18   0.683  -8.669  -6.592
  153    HE2  PHE  18           2HE      PHE  18  -3.201  -6.835  -6.660
  154    HZ   PHE  18           HZ       PHE  18  -1.701  -8.712  -7.278
  155    H    CYS  19           H        CYS  19  -1.340  -2.328  -5.185
  156    HA   CYS  19           HA       CYS  19  -2.351  -2.745  -7.816
  157   1HB   CYS  19          2HB       CYS  19  -3.652  -2.105  -5.790
  158   2HB   CYS  19          1HB       CYS  19  -2.897  -0.514  -5.835
  159    HG   CYS  19           HG       CYS  19  -4.090  -0.106  -8.163
  160    H    SER  20           H        SER  20  -0.596   0.022  -6.420
  161    HA   SER  20           HA       SER  20  -0.698   1.790  -8.627
  162   1HB   SER  20          2HB       SER  20   0.124   2.469  -6.465
  163   2HB   SER  20          1HB       SER  20   1.414   1.272  -6.517
  164    HG   SER  20           HG       SER  20   1.773   3.639  -7.172
  165    H    GLU  21           H        GLU  21   1.421  -1.017  -8.095
  166    HA   GLU  21           HA       GLU  21   3.022  -0.355 -10.488
  167   1HB   GLU  21          2HB       GLU  21   4.322  -2.333  -9.779
  168   2HB   GLU  21          1HB       GLU  21   4.075  -1.216  -8.439
  169   1HG   GLU  21          2HG       GLU  21   2.437  -2.596  -7.438
  170   2HG   GLU  21          1HG       GLU  21   2.195  -3.527  -8.917
  171    H    HIS  22           H        HIS  22   0.356  -2.537  -9.622
  172    HA   HIS  22           HA       HIS  22   0.654  -3.979 -12.211
  173   1HB   HIS  22          2HB       HIS  22  -0.937  -4.347  -9.667
  174   2HB   HIS  22          1HB       HIS  22  -1.255  -5.315 -11.106
  175    HD1  HIS  22           1HD      HIS  22   1.094  -6.461 -12.122
  176    HD2  HIS  22           2HD      HIS  22   0.990  -5.480  -8.073
  177    HE1  HIS  22           1HE      HIS  22   2.924  -7.814 -11.010
  178    H    ARG  23           H        ARG  23  -0.498  -1.086 -11.660
  179    HA   ARG  23           HA       ARG  23  -3.294  -1.375 -12.508
  180   1HB   ARG  23          2HB       ARG  23  -2.546   0.318 -10.879
  181   2HB   ARG  23          1HB       ARG  23  -1.517   1.050 -12.104
  182   1HG   ARG  23          2HG       ARG  23  -3.292   1.957 -13.261
  183   2HG   ARG  23          1HG       ARG  23  -4.393   0.663 -12.786
  184   1HD   ARG  23          2HD       ARG  23  -5.128   2.588 -11.565
  185   2HD   ARG  23          1HD       ARG  23  -4.203   1.633 -10.389
  186    HE   ARG  23           HE       ARG  23  -2.211   3.128 -11.291
  187   1HH1  ARG  23          1HH2      ARG  23  -3.701   4.182  -8.922
  188   2HH1  ARG  23          2HH2      ARG  23  -4.138   5.775  -9.444
  189   1HH2  ARG  23          1HH1      ARG  23  -3.548   5.126 -12.799
  190   2HH2  ARG  23          2HH1      ARG  23  -4.052   6.309 -11.639
  191    HA   PRO  24           HA       PRO  24  -1.560   0.543 -16.511
  192   1HB   PRO  24          2HB       PRO  24   1.125   0.447 -16.999
  193   2HB   PRO  24          1HB       PRO  24   0.340   1.810 -16.176
  194   1HG   PRO  24          2HG       PRO  24   1.941  -0.413 -15.049
  195   2HG   PRO  24          1HG       PRO  24   1.818   1.273 -14.527
  196   1HD   PRO  24          2HD       PRO  24   0.556  -0.859 -13.319
  197   2HD   PRO  24          1HD       PRO  24   0.067   0.838 -13.160
  198    H    LYS  25           H        LYS  25  -0.555  -2.423 -15.113
  199    HA   LYS  25           HA       LYS  25   0.246  -3.734 -17.619
  200   1HB   LYS  25          2HB       LYS  25   1.159  -4.259 -15.343
  201   2HB   LYS  25          1HB       LYS  25  -0.438  -4.844 -14.875
  202   1HG   LYS  25          2HG       LYS  25  -0.360  -6.545 -16.639
  203   2HG   LYS  25          1HG       LYS  25   1.210  -5.941 -17.172
  204   1HD   LYS  25          2HD       LYS  25   2.149  -6.465 -14.932
  205   2HD   LYS  25          1HD       LYS  25   0.588  -7.133 -14.454
  206   1HE   LYS  25          2HE       LYS  25   1.993  -8.143 -16.931
  207   2HE   LYS  25          1HE       LYS  25   2.371  -8.806 -15.328
  208   1HZ   LYS  25          1HZ       LYS  25   0.545 -10.027 -16.335
  209   2HZ   LYS  25          2HZ       LYS  25  -0.341  -8.590 -16.528
  210   3HZ   LYS  25          3HZ       LYS  25   0.001  -9.177 -14.971
  211    H    ILE  26           H        ILE  26  -2.604  -3.560 -15.513
  212    HA   ILE  26           HA       ILE  26  -4.135  -5.590 -16.922
  213    HB   ILE  26           HB       ILE  26  -4.949  -3.303 -15.092
  214   1HG1  ILE  26          2HG1      ILE  26  -3.318  -4.818 -14.049
  215   2HG1  ILE  26          1HG1      ILE  26  -4.903  -5.035 -13.321
  216   1HG2  ILE  26          1HG2      ILE  26  -6.793  -5.205 -14.646
  217   2HG2  ILE  26          2HG2      ILE  26  -6.429  -5.576 -16.331
  218   3HG2  ILE  26          3HG2      ILE  26  -7.003  -3.969 -15.886
  219   1HD1  ILE  26          1HD1      ILE  26  -4.000  -7.234 -13.716
  220   2HD1  ILE  26          2HD1      ILE  26  -3.572  -6.819 -15.377
  221   3HD1  ILE  26          3HD1      ILE  26  -5.268  -6.971 -14.915
  222    H    LYS  27           H        LYS  27  -3.400  -2.265 -17.589
  223    HA   LYS  27           HA       LYS  27  -5.809  -1.669 -19.128
  224   1HB   LYS  27          2HB       LYS  27  -3.103  -0.423 -18.662
  225   2HB   LYS  27          1HB       LYS  27  -4.206   0.253 -19.862
  226   1HG   LYS  27          2HG       LYS  27  -5.982   0.243 -18.012
  227   2HG   LYS  27          1HG       LYS  27  -4.654  -0.050 -16.889
  228   1HD   LYS  27          2HD       LYS  27  -3.628   2.021 -17.373
  229   2HD   LYS  27          1HD       LYS  27  -4.551   2.228 -18.863
  230   1HE   LYS  27          2HE       LYS  27  -6.648   2.360 -17.434
  231   2HE   LYS  27          1HE       LYS  27  -5.581   2.441 -16.018
  232   1HZ   LYS  27          1HZ       LYS  27  -5.451   4.243 -18.379
  233   2HZ   LYS  27          2HZ       LYS  27  -4.436   4.312 -17.020
  234   3HZ   LYS  27          3HZ       LYS  27  -6.090   4.660 -16.865
  235    H    SER  28           H        SER  28  -2.812  -3.322 -19.776
  236    HA   SER  28           HA       SER  28  -2.783  -2.872 -22.660
  237   1HB   SER  28          2HB       SER  28  -0.808  -3.401 -21.201
  238   2HB   SER  28          1HB       SER  28  -1.469  -5.016 -20.957
  239    HG   SER  28           HG       SER  28   0.070  -4.885 -22.684
  240    H    GLU  29           H        GLU  29  -4.132  -5.296 -20.471
  241    HA   GLU  29           HA       GLU  29  -5.095  -6.899 -22.804
  242   1HB   GLU  29          2HB       GLU  29  -4.608  -7.403 -19.872
  243   2HB   GLU  29          1HB       GLU  29  -5.598  -8.511 -20.822
  244   1HG   GLU  29          2HG       GLU  29  -3.616  -8.487 -22.504
  245   2HG   GLU  29          1HG       GLU  29  -2.680  -7.840 -21.156
  246    H    HIS  30           H        HIS  30  -6.232  -4.399 -20.918
  247    HA   HIS  30           HA       HIS  30  -9.053  -5.206 -21.398
  248   1HB   HIS  30          2HB       HIS  30  -7.906  -4.323 -18.728
  249   2HB   HIS  30          1HB       HIS  30  -9.615  -4.585 -19.056
  250    HD1  HIS  30           1HD      HIS  30 -10.455  -7.007 -19.187
  251    HD2  HIS  30           2HD      HIS  30  -6.330  -6.729 -18.671
  252    HE1  HIS  30           1HE      HIS  30  -9.644  -9.343 -18.637
  253    HA   PRO  31           HA       PRO  31  -8.100  -0.788 -22.427
  254   1HB   PRO  31          2HB       PRO  31  -9.645  -0.728 -24.693
  255   2HB   PRO  31          1HB       PRO  31  -7.951  -1.260 -24.690
  256   1HG   PRO  31          2HG       PRO  31 -10.445  -2.898 -24.652
  257   2HG   PRO  31          1HG       PRO  31  -8.951  -3.143 -25.573
  258   1HD   PRO  31          2HD       PRO  31  -9.496  -4.538 -23.327
  259   2HD   PRO  31          1HD       PRO  31  -7.840  -4.079 -23.783
  260    H    GLY  32           H        GLY  32  -9.332   0.164 -20.791
  261   1HA   GLY  32          2HA       GLY  32 -11.402   1.573 -20.602
  262   2HA   GLY  32          1HA       GLY  32 -12.299   0.170 -21.183
  263    H    LEU  33           H        LEU  33 -10.306  -1.481 -19.408
  264    HA   LEU  33           HA       LEU  33 -11.907  -2.220 -17.303
  265   1HB   LEU  33          2HB       LEU  33  -9.425  -2.799 -18.178
  266   2HB   LEU  33          1HB       LEU  33  -9.002  -1.905 -16.720
  267    HG   LEU  33           HG       LEU  33  -9.200  -4.321 -16.258
  268   1HD1  LEU  33          1HD1      LEU  33  -9.883  -2.520 -14.585
  269   2HD1  LEU  33          2HD1      LEU  33 -10.534  -4.134 -14.297
  270   3HD1  LEU  33          3HD1      LEU  33 -11.552  -2.889 -15.019
  271   1HD2  LEU  33          1HD2      LEU  33 -10.943  -5.600 -16.961
  272   2HD2  LEU  33          2HD2      LEU  33 -11.297  -4.262 -18.053
  273   3HD2  LEU  33          3HD2      LEU  33 -12.137  -4.383 -16.509
  274    H    SER  34           H        SER  34 -12.731  -1.262 -15.552
  275    HA   SER  34           HA       SER  34 -11.668   1.376 -14.657
  276   1HB   SER  34          2HB       SER  34 -13.939   1.321 -13.462
  277   2HB   SER  34          1HB       SER  34 -13.981   1.351 -15.220
  278    HG   SER  34           HG       SER  34 -15.330  -0.273 -14.584
  279    H    ILE  35           H        ILE  35 -12.492   1.522 -12.101
  280    HA   ILE  35           HA       ILE  35 -10.613  -0.190 -10.650
  281    HB   ILE  35           HB       ILE  35 -12.644   1.881  -9.747
  282   1HG1  ILE  35          2HG1      ILE  35 -10.987   2.792 -11.336
  283   2HG1  ILE  35          1HG1      ILE  35 -10.708   3.421  -9.715
  284   1HG2  ILE  35          1HG2      ILE  35 -10.332   0.523  -8.346
  285   2HG2  ILE  35          2HG2      ILE  35 -12.021   0.590  -7.840
  286   3HG2  ILE  35          3HG2      ILE  35 -11.022   2.044  -7.778
  287   1HD1  ILE  35          1HD1      ILE  35  -9.184   1.180 -11.077
  288   2HD1  ILE  35          2HD1      ILE  35  -8.972   1.632  -9.386
  289   3HD1  ILE  35          3HD1      ILE  35  -8.567   2.779 -10.663
  290    H    GLY  36           H        GLY  36 -13.785  -0.695 -11.699
  291   1HA   GLY  36          2HA       GLY  36 -14.637  -2.178  -9.285
  292   2HA   GLY  36          1HA       GLY  36 -15.623  -1.884 -10.717
  293    H    ASP  37           H        ASP  37 -12.391  -2.975 -11.287
  294    HA   ASP  37           HA       ASP  37 -13.203  -5.828 -11.455
  295   1HB   ASP  37          2HB       ASP  37 -12.610  -3.934 -13.703
  296   2HB   ASP  37          1HB       ASP  37 -12.122  -5.619 -13.875
  297    H    THR  38           H        THR  38 -10.588  -3.562 -12.417
  298    HA   THR  38           HA       THR  38  -8.447  -5.440 -12.042
  299    HB   THR  38           HB       THR  38  -8.699  -2.423 -12.198
  300    HG1  THR  38           1HG      THR  38  -7.914  -2.781 -14.227
  301   1HG2  THR  38          1HG2      THR  38  -6.687  -2.970 -10.820
  302   2HG2  THR  38          2HG2      THR  38  -6.266  -2.256 -12.377
  303   3HG2  THR  38          3HG2      THR  38  -6.104  -3.993 -12.132
  304    H    ALA  39           H        ALA  39  -9.976  -3.071  -9.874
  305    HA   ALA  39           HA       ALA  39  -8.093  -3.362  -7.691
  306   1HB   ALA  39          1HB       ALA  39  -9.726  -1.475  -8.120
  307   2HB   ALA  39          2HB       ALA  39  -9.773  -2.101  -6.472
  308   3HB   ALA  39          3HB       ALA  39 -11.023  -2.564  -7.627
  309    H    LYS  40           H        LYS  40 -10.936  -5.131  -8.743
  310    HA   LYS  40           HA       LYS  40 -11.260  -6.641  -6.255
  311   1HB   LYS  40          2HB       LYS  40 -12.333  -6.827  -9.086
  312   2HB   LYS  40          1HB       LYS  40 -12.792  -7.975  -7.828
  313   1HG   LYS  40          2HG       LYS  40 -13.182  -5.609  -6.521
  314   2HG   LYS  40          1HG       LYS  40 -13.579  -5.143  -8.175
  315   1HD   LYS  40          2HD       LYS  40 -15.341  -6.681  -8.325
  316   2HD   LYS  40          1HD       LYS  40 -14.711  -7.675  -7.010
  317   1HE   LYS  40          2HE       LYS  40 -15.102  -5.309  -5.698
  318   2HE   LYS  40          1HE       LYS  40 -16.426  -5.266  -6.880
  319   1HZ   LYS  40          1HZ       LYS  40 -17.085  -6.501  -4.909
  320   2HZ   LYS  40          2HZ       LYS  40 -15.762  -7.550  -5.096
  321   3HZ   LYS  40          3HZ       LYS  40 -17.006  -7.532  -6.253
  322    H    LYS  41           H        LYS  41  -9.781  -7.094  -9.434
  323    HA   LYS  41           HA       LYS  41  -8.973  -9.856  -9.026
  324   1HB   LYS  41          2HB       LYS  41  -9.254  -8.475 -11.194
  325   2HB   LYS  41          1HB       LYS  41  -7.664  -7.805 -10.828
  326   1HG   LYS  41          2HG       LYS  41  -6.701 -10.066 -10.794
  327   2HG   LYS  41          1HG       LYS  41  -8.291 -10.757 -11.123
  328   1HD   LYS  41          2HD       LYS  41  -7.150  -8.676 -12.970
  329   2HD   LYS  41          1HD       LYS  41  -6.643 -10.359 -13.119
  330   1HE   LYS  41          2HE       LYS  41  -8.925 -11.089 -13.489
  331   2HE   LYS  41          1HE       LYS  41  -9.547  -9.467 -13.128
  332   1HZ   LYS  41          1HZ       LYS  41  -7.685 -10.174 -15.334
  333   2HZ   LYS  41          2HZ       LYS  41  -8.200  -8.599 -14.957
  334   3HZ   LYS  41          3HZ       LYS  41  -9.318  -9.753 -15.510
  335    H    LEU  42           H        LEU  42  -7.137  -6.779  -9.004
  336    HA   LEU  42           HA       LEU  42  -4.620  -7.677  -8.169
  337   1HB   LEU  42          2HB       LEU  42  -6.252  -5.214  -7.979
  338   2HB   LEU  42          1HB       LEU  42  -4.887  -5.293  -6.875
  339    HG   LEU  42           HG       LEU  42  -3.378  -5.778  -8.771
  340   1HD1  LEU  42          1HD1      LEU  42  -5.730  -5.180 -10.577
  341   2HD1  LEU  42          2HD1      LEU  42  -5.258  -6.829 -10.168
  342   3HD1  LEU  42          3HD1      LEU  42  -4.136  -5.780 -11.034
  343   1HD2  LEU  42          1HD2      LEU  42  -4.984  -3.383  -9.589
  344   2HD2  LEU  42          2HD2      LEU  42  -3.233  -3.561  -9.452
  345   3HD2  LEU  42          3HD2      LEU  42  -4.220  -3.410  -7.999
  346    H    GLY  43           H        GLY  43  -7.166  -6.437  -5.947
  347   1HA   GLY  43          2HA       GLY  43  -5.891  -7.036  -3.513
  348   2HA   GLY  43          1HA       GLY  43  -7.647  -7.010  -3.712
  349    H    GLU  44           H        GLU  44  -7.555  -9.184  -5.734
  350    HA   GLU  44           HA       GLU  44  -7.740 -11.462  -3.939
  351   1HB   GLU  44          2HB       GLU  44  -8.973 -10.926  -6.166
  352   2HB   GLU  44          1HB       GLU  44  -7.518 -11.536  -6.955
  353   1HG   GLU  44          2HG       GLU  44  -8.967 -13.418  -6.776
  354   2HG   GLU  44          1HG       GLU  44  -7.779 -13.622  -5.489
  355    H    MET  45           H        MET  45  -5.364 -10.229  -6.259
  356    HA   MET  45           HA       MET  45  -3.561 -12.522  -5.965
  357   1HB   MET  45          2HB       MET  45  -3.547  -9.833  -7.336
  358   2HB   MET  45          1HB       MET  45  -2.081 -10.812  -7.272
  359   1HG   MET  45          2HG       MET  45  -3.284 -12.692  -8.320
  360   2HG   MET  45          1HG       MET  45  -4.753 -11.718  -8.385
  361   1HE   MET  45          1HE       MET  45  -4.040 -12.916 -11.022
  362   2HE   MET  45          2HE       MET  45  -4.168 -11.502 -12.065
  363   3HE   MET  45          3HE       MET  45  -5.283 -11.696 -10.714
  364    H    TRP  46           H        TRP  46  -3.689  -9.129  -4.848
  365    HA   TRP  46           HA       TRP  46  -1.218  -8.886  -3.505
  366   1HB   TRP  46          2HB       TRP  46  -2.772  -7.057  -3.814
  367   2HB   TRP  46          1HB       TRP  46  -4.010  -7.861  -2.858
  368    HD1  TRP  46           HD       TRP  46  -4.179  -6.818  -0.538
  369    HE1  TRP  46           1HE      TRP  46  -2.525  -5.792   1.154
  370    HE3  TRP  46           3HE      TRP  46   0.151  -7.296  -3.166
  371    HZ2  TRP  46           2HZ      TRP  46   0.283  -5.251   1.355
  372    HZ3  TRP  46           3HZ      TRP  46   2.306  -6.522  -2.214
  373    HH2  TRP  46           HH       TRP  46   2.370  -5.505   0.038
  374    H    SER  47           H        SER  47  -4.311 -10.147  -2.177
  375    HA   SER  47           HA       SER  47  -3.272 -10.876   0.397
  376   1HB   SER  47          2HB       SER  47  -5.694 -10.609  -0.515
  377   2HB   SER  47          1HB       SER  47  -5.520 -12.276  -1.054
  378    HG   SER  47           HG       SER  47  -5.073 -11.353   1.597
  379    H    GLU  48           H        GLU  48  -2.675 -12.257  -2.693
  380    HA   GLU  48           HA       GLU  48  -2.007 -14.914  -1.541
  381   1HB   GLU  48          2HB       GLU  48  -2.764 -13.795  -4.220
  382   2HB   GLU  48          1HB       GLU  48  -1.813 -15.278  -4.159
  383   1HG   GLU  48          2HG       GLU  48  -4.360 -14.922  -2.569
  384   2HG   GLU  48          1HG       GLU  48  -4.347 -15.590  -4.202
  385    H    GLN  49           H        GLN  49  -0.567 -11.940  -2.581
  386    HA   GLN  49           HA       GLN  49   1.870 -12.856  -3.731
  387   1HB   GLN  49          2HB       GLN  49   1.180 -10.452  -2.005
  388   2HB   GLN  49          1HB       GLN  49   2.696 -10.617  -2.884
  389   1HG   GLN  49          2HG       GLN  49  -0.071 -10.565  -4.115
  390   2HG   GLN  49          1HG       GLN  49   1.105  -9.260  -4.168
  391   1HE2  GLN  49          1HE2      GLN  49  -0.120 -11.106  -6.351
  392   2HE2  GLN  49          2HE2      GLN  49   1.237 -11.660  -7.205
  393    H    SER  50           H        SER  50   3.824 -13.457  -2.767
  394    HA   SER  50           HA       SER  50   3.688 -14.361   0.051
  395   1HB   SER  50          2HB       SER  50   5.664 -15.632  -0.584
  396   2HB   SER  50          1HB       SER  50   4.497 -15.771  -1.896
  397    HG   SER  50           HG       SER  50   5.748 -14.590  -3.142
  398    H    ALA  51           H        ALA  51   6.640 -14.085   0.352
  399    HA   ALA  51           HA       ALA  51   6.685 -11.353   1.387
  400   1HB   ALA  51          1HB       ALA  51   9.086 -12.120   1.935
  401   2HB   ALA  51          2HB       ALA  51   8.627 -13.669   1.230
  402   3HB   ALA  51          3HB       ALA  51   7.775 -13.059   2.647
  403    H    LYS  52           H        LYS  52   7.204 -12.583  -1.725
  404    HA   LYS  52           HA       LYS  52   9.490 -10.909  -2.471
  405   1HB   LYS  52          2HB       LYS  52   8.660 -13.170  -3.441
  406   2HB   LYS  52          1HB       LYS  52   7.467 -12.202  -4.306
  407   1HG   LYS  52          2HG       LYS  52   9.335 -10.818  -5.235
  408   2HG   LYS  52          1HG       LYS  52  10.480 -11.919  -4.468
  409   1HD   LYS  52          2HD       LYS  52   9.855 -13.728  -5.844
  410   2HD   LYS  52          1HD       LYS  52   8.334 -12.965  -6.306
  411   1HE   LYS  52          2HE       LYS  52   9.560 -11.253  -7.591
  412   2HE   LYS  52          1HE       LYS  52  11.101 -11.993  -7.112
  413   1HZ   LYS  52          1HZ       LYS  52  10.371 -14.076  -8.091
  414   2HZ   LYS  52          2HZ       LYS  52  10.356 -12.842  -9.259
  415   3HZ   LYS  52          3HZ       LYS  52   8.901 -13.372  -8.561
  416    H    ASP  53           H        ASP  53   5.957 -10.838  -2.939
  417    HA   ASP  53           HA       ASP  53   6.187  -7.958  -3.765
  418   1HB   ASP  53          2HB       ASP  53   4.822 -10.320  -4.879
  419   2HB   ASP  53          1HB       ASP  53   3.773  -8.912  -4.720
  420    H    LYS  54           H        LYS  54   6.080  -8.284  -1.144
  421    HA   LYS  54           HA       LYS  54   3.524  -7.170  -0.343
  422   1HB   LYS  54          2HB       LYS  54   3.563  -9.877  -0.625
  423   2HB   LYS  54          1HB       LYS  54   4.025  -9.715   1.064
  424   1HG   LYS  54          2HG       LYS  54   2.015  -8.078   1.237
  425   2HG   LYS  54          1HG       LYS  54   1.515  -8.752  -0.308
  426   1HD   LYS  54          2HD       LYS  54   0.400  -9.962   1.483
  427   2HD   LYS  54          1HD       LYS  54   1.566 -11.026   0.697
  428   1HE   LYS  54          2HE       LYS  54   2.997 -11.038   2.529
  429   2HE   LYS  54          1HE       LYS  54   2.483  -9.425   3.066
  430   1HZ   LYS  54          1HZ       LYS  54   0.250 -10.422   3.486
  431   2HZ   LYS  54          2HZ       LYS  54   1.474 -10.999   4.515
  432   3HZ   LYS  54          3HZ       LYS  54   0.931 -11.953   3.217
  433    H    GLN  55           H        GLN  55   6.586  -8.658   0.671
  434    HA   GLN  55           HA       GLN  55   6.537  -7.627   3.382
  435   1HB   GLN  55          2HB       GLN  55   8.416  -8.979   1.521
  436   2HB   GLN  55          1HB       GLN  55   9.154  -8.078   2.842
  437   1HG   GLN  55          2HG       GLN  55   6.958 -10.135   3.206
  438   2HG   GLN  55          1HG       GLN  55   8.676 -10.470   3.423
  439   1HE2  GLN  55          1HE2      GLN  55   5.861  -9.053   4.916
  440   2HE2  GLN  55          2HE2      GLN  55   6.625  -8.545   6.344
  441    HA   PRO  56           HA       PRO  56   9.415  -4.198   1.716
  442   1HB   PRO  56          2HB       PRO  56   9.741  -3.924  -0.985
  443   2HB   PRO  56          1HB       PRO  56  10.789  -4.948   0.017
  444   1HG   PRO  56          2HG       PRO  56   8.516  -5.715  -1.743
  445   2HG   PRO  56          1HG       PRO  56  10.061  -6.535  -1.472
  446   1HD   PRO  56          2HD       PRO  56   7.719  -7.315  -0.329
  447   2HD   PRO  56          1HD       PRO  56   9.312  -7.606   0.401
  448    H    TYR  57           H        TYR  57   6.338  -4.997   0.461
  449    HA   TYR  57           HA       TYR  57   5.741  -2.343  -0.667
  450   1HB   TYR  57          2HB       TYR  57   4.260  -4.936  -0.208
  451   2HB   TYR  57          1HB       TYR  57   3.438  -3.498  -0.816
  452    HD1  TYR  57           1HD      TYR  57   6.521  -5.542  -1.454
  453    HD2  TYR  57           2HD      TYR  57   3.382  -3.128  -3.118
  454    HE1  TYR  57           1HE      TYR  57   7.361  -6.023  -3.737
  455    HE2  TYR  57           2HE      TYR  57   4.222  -3.608  -5.401
  456    HH   TYR  57           HH       TYR  57   7.171  -4.694  -6.082
  457    H    GLU  58           H        GLU  58   4.891  -4.241   2.239
  458    HA   GLU  58           HA       GLU  58   3.142  -2.146   3.299
  459   1HB   GLU  58          2HB       GLU  58   3.021  -3.701   5.222
  460   2HB   GLU  58          1HB       GLU  58   2.789  -4.553   3.698
  461   1HG   GLU  58          2HG       GLU  58   4.441  -5.949   4.352
  462   2HG   GLU  58          1HG       GLU  58   5.556  -4.611   4.079
  463    H    GLN  59           H        GLN  59   6.547  -2.930   3.506
  464    HA   GLN  59           HA       GLN  59   7.081  -1.492   5.982
  465   1HB   GLN  59          2HB       GLN  59   8.721  -2.565   3.676
  466   2HB   GLN  59          1HB       GLN  59   9.467  -1.721   5.035
  467   1HG   GLN  59          2HG       GLN  59   8.489  -3.346   6.600
  468   2HG   GLN  59          1HG       GLN  59   7.708  -4.183   5.258
  469   1HE2  GLN  59          1HE2      GLN  59   8.860  -6.037   4.730
  470   2HE2  GLN  59          2HE2      GLN  59  10.552  -6.175   4.740
  471    H    LYS  60           H        LYS  60   8.290  -0.757   2.691
  472    HA   LYS  60           HA       LYS  60   9.059   1.881   3.024
  473   1HB   LYS  60          2HB       LYS  60   9.273   0.383   1.014
  474   2HB   LYS  60          1HB       LYS  60   7.597   0.761   0.619
  475   1HG   LYS  60          2HG       LYS  60   8.440   3.260   0.875
  476   2HG   LYS  60          1HG       LYS  60  10.010   2.533   0.531
  477   1HD   LYS  60          2HD       LYS  60   9.215   1.625  -1.557
  478   2HD   LYS  60          1HD       LYS  60   7.554   2.092  -1.186
  479   1HE   LYS  60          2HE       LYS  60   8.288   3.817  -2.634
  480   2HE   LYS  60          1HE       LYS  60   8.546   4.520  -1.024
  481   1HZ   LYS  60          1HZ       LYS  60  10.811   3.663  -1.057
  482   2HZ   LYS  60          2HZ       LYS  60  10.548   4.711  -2.369
  483   3HZ   LYS  60          3HZ       LYS  60  10.570   3.029  -2.612
  484    H    ALA  61           H        ALA  61   5.728   0.734   2.893
  485    HA   ALA  61           HA       ALA  61   4.677   3.486   2.524
  486   1HB   ALA  61          1HB       ALA  61   2.757   2.399   1.874
  487   2HB   ALA  61          2HB       ALA  61   2.919   1.164   3.122
  488   3HB   ALA  61          3HB       ALA  61   3.870   1.052   1.641
  489    H    ALA  62           H        ALA  62   4.917   0.924   4.956
  490    HA   ALA  62           HA       ALA  62   3.273   2.200   6.966
  491   1HB   ALA  62          1HB       ALA  62   5.469   0.107   7.037
  492   2HB   ALA  62          2HB       ALA  62   3.728  -0.177   7.013
  493   3HB   ALA  62          3HB       ALA  62   4.486   0.530   8.440
  494    H    LYS  63           H        LYS  63   6.695   2.425   6.079
  495    HA   LYS  63           HA       LYS  63   7.346   4.041   8.468
  496   1HB   LYS  63          2HB       LYS  63   8.820   2.271   7.400
  497   2HB   LYS  63          1HB       LYS  63   9.011   3.362   6.027
  498   1HG   LYS  63          2HG       LYS  63  10.059   5.036   7.390
  499   2HG   LYS  63          1HG       LYS  63   9.640   4.177   8.873
  500   1HD   LYS  63          2HD       LYS  63  11.033   2.226   7.925
  501   2HD   LYS  63          1HD       LYS  63  11.668   3.403   6.774
  502   1HE   LYS  63          2HE       LYS  63  12.442   4.830   8.634
  503   2HE   LYS  63          1HE       LYS  63  11.793   3.662   9.802
  504   1HZ   LYS  63          1HZ       LYS  63  13.814   3.069   7.703
  505   2HZ   LYS  63          2HZ       LYS  63  13.174   1.945   8.806
  506   3HZ   LYS  63          3HZ       LYS  63  14.138   3.231   9.360
  507    H    LEU  64           H        LEU  64   6.006   4.616   5.393
  508    HA   LEU  64           HA       LEU  64   7.152   7.363   5.189
  509   1HB   LEU  64          2HB       LEU  64   5.954   5.328   3.379
  510   2HB   LEU  64          1HB       LEU  64   5.598   7.012   2.991
  511    HG   LEU  64           HG       LEU  64   8.389   5.932   3.471
  512   1HD1  LEU  64          1HD1      LEU  64   8.632   5.572   1.214
  513   2HD1  LEU  64          2HD1      LEU  64   7.483   6.839   0.783
  514   3HD1  LEU  64          3HD1      LEU  64   6.898   5.268   1.328
  515   1HD2  LEU  64          1HD2      LEU  64   7.216   8.596   2.701
  516   2HD2  LEU  64          2HD2      LEU  64   8.844   8.165   2.179
  517   3HD2  LEU  64          3HD2      LEU  64   8.460   8.240   3.899
  518    H    LYS  65           H        LYS  65   4.221   5.557   5.857
  519    HA   LYS  65           HA       LYS  65   2.364   7.769   5.582
  520   1HB   LYS  65          2HB       LYS  65   1.762   5.374   5.402
  521   2HB   LYS  65          1HB       LYS  65   2.214   5.134   7.090
  522   1HG   LYS  65          2HG       LYS  65   0.358   6.256   7.891
  523   2HG   LYS  65          1HG       LYS  65   0.236   7.288   6.465
  524   1HD   LYS  65          2HD       LYS  65  -0.765   5.573   5.170
  525   2HD   LYS  65          1HD       LYS  65  -0.282   4.318   6.313
  526   1HE   LYS  65          2HE       LYS  65  -2.091   6.536   7.248
  527   2HE   LYS  65          1HE       LYS  65  -2.769   5.162   6.351
  528   1HZ   LYS  65          1HZ       LYS  65  -1.017   4.968   8.744
  529   2HZ   LYS  65          2HZ       LYS  65  -1.656   3.655   7.876
  530   3HZ   LYS  65          3HZ       LYS  65  -2.691   4.697   8.731
  531    H    GLU  66           H        GLU  66   3.939   6.159   8.361
  532    HA   GLU  66           HA       GLU  66   2.817   7.718  10.455
  533   1HB   GLU  66          2HB       GLU  66   4.314   5.590  10.433
  534   2HB   GLU  66          1HB       GLU  66   5.667   6.722  10.411
  535   1HG   GLU  66          2HG       GLU  66   4.933   7.739  12.482
  536   2HG   GLU  66          1HG       GLU  66   3.444   6.794  12.469
  537    H    LYS  67           H        LYS  67   5.705   8.303   8.451
  538    HA   LYS  67           HA       LYS  67   6.435  10.769   9.841
  539   1HB   LYS  67          2HB       LYS  67   7.866   9.049   8.508
  540   2HB   LYS  67          1HB       LYS  67   7.306   9.921   7.081
  541   1HG   LYS  67          2HG       LYS  67   8.091  12.054   8.290
  542   2HG   LYS  67          1HG       LYS  67   8.953  10.971   9.383
  543   1HD   LYS  67          2HD       LYS  67   9.256  10.751   6.388
  544   2HD   LYS  67          1HD       LYS  67  10.252  11.856   7.336
  545   1HE   LYS  67          2HE       LYS  67  11.153  10.035   8.652
  546   2HE   LYS  67          1HE       LYS  67  10.012   8.886   7.925
  547   1HZ   LYS  67          1HZ       LYS  67  10.949   9.366   5.756
  548   2HZ   LYS  67          2HZ       LYS  67  12.168   8.819   6.805
  549   3HZ   LYS  67          3HZ       LYS  67  12.039  10.472   6.437
  550    H    TYR  68           H        TYR  68   4.339   9.915   7.176
  551    HA   TYR  68           HA       TYR  68   4.266  12.464   5.829
  552   1HB   TYR  68          2HB       TYR  68   3.038   9.845   5.730
  553   2HB   TYR  68          1HB       TYR  68   1.794  11.067   5.583
  554    HD1  TYR  68           1HD      TYR  68   5.306  10.569   4.379
  555    HD2  TYR  68           2HD      TYR  68   1.279  11.696   3.403
  556    HE1  TYR  68           1HE      TYR  68   5.987  10.949   2.022
  557    HE2  TYR  68           2HE      TYR  68   1.960  12.078   1.044
  558    HH   TYR  68           HH       TYR  68   4.604  12.681  -0.031
  559    H    GLU  69           H        GLU  69   2.086  10.940   8.197
  560    HA   GLU  69           HA       GLU  69   0.181  12.981   8.531
  561   1HB   GLU  69          2HB       GLU  69   1.402  11.115  10.593
  562   2HB   GLU  69          1HB       GLU  69  -0.156  11.929  10.754
  563   1HG   GLU  69          2HG       GLU  69  -0.665  10.808   8.430
  564   2HG   GLU  69          1HG       GLU  69   0.633   9.707   8.889
  565    H    LYS  70           H        LYS  70   3.365  12.651  10.085
  566    HA   LYS  70           HA       LYS  70   3.092  15.038  11.745
  567   1HB   LYS  70          2HB       LYS  70   5.099  12.967  11.059
  568   2HB   LYS  70          1HB       LYS  70   5.783  14.539  11.473
  569   1HG   LYS  70          2HG       LYS  70   5.611  13.636  13.592
  570   2HG   LYS  70          1HG       LYS  70   4.014  14.374  13.463
  571   1HD   LYS  70          2HD       LYS  70   4.365  11.590  12.427
  572   2HD   LYS  70          1HD       LYS  70   4.291  11.824  14.175
  573   1HE   LYS  70          2HE       LYS  70   2.196  13.366  13.475
  574   2HE   LYS  70          1HE       LYS  70   2.158  12.210  12.129
  575   1HZ   LYS  70          1HZ       LYS  70   0.930  11.323  13.996
  576   2HZ   LYS  70          2HZ       LYS  70   2.267  11.535  15.023
  577   3HZ   LYS  70          3HZ       LYS  70   2.335  10.404  13.755
  578    H    ASP  71           H        ASP  71   4.698  14.184   8.714
  579    HA   ASP  71           HA       ASP  71   5.878  16.673   8.026
  580   1HB   ASP  71          2HB       ASP  71   4.980  14.179   6.719
  581   2HB   ASP  71          1HB       ASP  71   5.065  15.564   5.636
  582    H    ILE  72           H        ILE  72   2.692  15.387   7.024
  583    HA   ILE  72           HA       ILE  72   1.780  17.803   5.771
  584    HB   ILE  72           HB       ILE  72   0.559  15.251   6.828
  585   1HG1  ILE  72          2HG1      ILE  72   1.790  15.247   4.686
  586   2HG1  ILE  72          1HG1      ILE  72   0.081  14.893   4.440
  587   1HG2  ILE  72          1HG2      ILE  72  -0.968  17.642   5.755
  588   2HG2  ILE  72          2HG2      ILE  72  -1.252  16.765   7.259
  589   3HG2  ILE  72          3HG2      ILE  72  -1.616  16.001   5.712
  590   1HD1  ILE  72          1HD1      ILE  72   1.560  17.462   3.854
  591   2HD1  ILE  72          2HD1      ILE  72  -0.197  17.422   3.993
  592   3HD1  ILE  72          3HD1      ILE  72   0.610  16.474   2.748
  593    H    ALA  73           H        ALA  73   1.710  16.677   9.117
  594    HA   ALA  73           HA       ALA  73  -0.241  18.510  10.149
  595   1HB   ALA  73          1HB       ALA  73   2.202  17.230  11.422
  596   2HB   ALA  73          2HB       ALA  73   0.590  16.521  11.336
  597   3HB   ALA  73          3HB       ALA  73   0.868  17.964  12.312
  598    H    ALA  74           H        ALA  74   3.300  18.772   9.768
  599    HA   ALA  74           HA       ALA  74   3.365  21.494  10.878
  600   1HB   ALA  74          1HB       ALA  74   5.752  21.261  10.468
  601   2HB   ALA  74          2HB       ALA  74   5.470  19.883   9.403
  602   3HB   ALA  74          3HB       ALA  74   5.153  19.741  11.132
  603    H    TYR  75           H        TYR  75   3.056  19.995   7.736
  604    HA   TYR  75           HA       TYR  75   3.809  22.440   6.259
  605   1HB   TYR  75          2HB       TYR  75   4.219  19.956   5.636
  606   2HB   TYR  75          1HB       TYR  75   2.517  19.935   5.175
  607    HD1  TYR  75           1HD      TYR  75   1.683  21.407   3.360
  608    HD2  TYR  75           2HD      TYR  75   5.859  21.157   4.333
  609    HE1  TYR  75           1HE      TYR  75   2.252  22.481   1.198
  610    HE2  TYR  75           2HE      TYR  75   6.427  22.231   2.172
  611    HH   TYR  75           HH       TYR  75   5.085  22.357  -0.227
  612    H    ARG  76           H        ARG  76   0.924  20.826   7.434
  613    HA   ARG  76           HA       ARG  76  -0.918  22.330   5.710
  614   1HB   ARG  76          2HB       ARG  76  -1.265  19.989   6.519
  615   2HB   ARG  76          1HB       ARG  76  -1.390  20.612   8.165
  616   1HG   ARG  76          2HG       ARG  76  -3.424  21.669   7.757
  617   2HG   ARG  76          1HG       ARG  76  -3.129  21.788   6.022
  618   1HD   ARG  76          2HD       ARG  76  -3.693  19.527   5.642
  619   2HD   ARG  76          1HD       ARG  76  -3.461  19.092   7.348
  620    HE   ARG  76           HE       ARG  76  -5.439  20.792   7.707
  621   1HH1  ARG  76          1HH1      ARG  76  -5.339  20.305   4.490
  622   2HH1  ARG  76          2HH1      ARG  76  -6.847  19.468   4.341
  623   1HH2  ARG  76          1HH2      ARG  76  -7.236  19.013   7.756
  624   2HH2  ARG  76          2HH2      ARG  76  -7.921  18.735   6.191
  625    H    ALA  77           H        ALA  77   0.755  22.994   8.641
  626    HA   ALA  77           HA       ALA  77  -1.237  25.118   9.341
  627   1HB   ALA  77          1HB       ALA  77  -1.250  23.532  11.093
  628   2HB   ALA  77          2HB       ALA  77  -0.139  24.775  11.668
  629   3HB   ALA  77          3HB       ALA  77   0.492  23.278  10.982
  630    H    LYS  78           H        LYS  78   2.088  24.482  10.359
  631    HA   LYS  78           HA       LYS  78   3.995  25.880  10.407
  632   1HB   LYS  78          2HB       LYS  78   3.626  25.390   7.960
  633   2HB   LYS  78          1HB       LYS  78   2.744  26.913   7.843
  634   1HG   LYS  78          2HG       LYS  78   4.693  28.182   8.459
  635   2HG   LYS  78          1HG       LYS  78   5.583  26.718   8.878
  636   1HD   LYS  78          2HD       LYS  78   4.540  27.310   6.096
  637   2HD   LYS  78          1HD       LYS  78   6.184  27.669   6.622
  638   1HE   LYS  78          2HE       LYS  78   6.433  25.225   7.243
  639   2HE   LYS  78          1HE       LYS  78   4.873  24.938   6.446
  640   1HZ   LYS  78          1HZ       LYS  78   6.738  24.664   4.901
  641   2HZ   LYS  78          2HZ       LYS  78   7.216  26.268   5.191
  642   3HZ   LYS  78          3HZ       LYS  78   5.728  25.944   4.438
  Start of MODEL   19
    1   1H    MET   1          1HT       MET   1 -10.485  11.347  -6.191
    2   2H    MET   1          2HT       MET   1 -11.867  12.290  -5.889
    3   3H    MET   1          3HT       MET   1 -11.188  11.348  -4.647
    4    HA   MET   1           HA       MET   1  -9.118  12.730  -4.843
    5   1HB   MET   1          2HB       MET   1 -10.931  13.798  -6.937
    6   2HB   MET   1          1HB       MET   1 -10.040  15.011  -6.015
    7   1HG   MET   1          2HG       MET   1  -8.486  14.551  -7.669
    8   2HG   MET   1          1HG       MET   1  -8.008  13.356  -6.463
    9   1HE   MET   1          1HE       MET   1  -6.975  12.596  -9.296
   10   2HE   MET   1          2HE       MET   1  -8.043  13.930  -9.724
   11   3HE   MET   1          3HE       MET   1  -8.228  12.371 -10.525
   12    H    LYS   2           H        LYS   2  -9.024  13.757  -2.884
   13    HA   LYS   2           HA       LYS   2 -11.251  15.489  -1.979
   14   1HB   LYS   2          2HB       LYS   2 -11.469  12.889  -1.425
   15   2HB   LYS   2          1HB       LYS   2 -10.357  13.314  -0.123
   16   1HG   LYS   2          2HG       LYS   2 -11.916  15.119   0.585
   17   2HG   LYS   2          1HG       LYS   2 -13.043  14.612  -0.674
   18   1HD   LYS   2          2HD       LYS   2 -12.780  12.245   0.453
   19   2HD   LYS   2          1HD       LYS   2 -12.259  13.188   1.849
   20   1HE   LYS   2          2HE       LYS   2 -14.433  14.608   1.322
   21   2HE   LYS   2          1HE       LYS   2 -14.950  13.108   0.525
   22   1HZ   LYS   2          1HZ       LYS   2 -15.535  13.033   2.857
   23   2HZ   LYS   2          2HZ       LYS   2 -13.929  13.357   3.306
   24   3HZ   LYS   2          3HZ       LYS   2 -14.321  11.892   2.539
   25    H    LYS   3           H        LYS   3  -8.392  15.868  -2.642
   26    HA   LYS   3           HA       LYS   3  -7.425  16.825   0.034
   27   1HB   LYS   3          2HB       LYS   3  -6.350  14.821  -1.633
   28   2HB   LYS   3          1HB       LYS   3  -5.321  16.227  -1.897
   29   1HG   LYS   3          2HG       LYS   3  -4.311  15.204  -0.045
   30   2HG   LYS   3          1HG       LYS   3  -5.340  16.421   0.709
   31   1HD   LYS   3          2HD       LYS   3  -7.139  14.617   0.861
   32   2HD   LYS   3          1HD       LYS   3  -5.882  13.460   0.424
   33   1HE   LYS   3          2HE       LYS   3  -4.519  14.318   2.378
   34   2HE   LYS   3          1HE       LYS   3  -5.944  15.257   2.869
   35   1HZ   LYS   3          1HZ       LYS   3  -5.941  13.070   3.919
   36   2HZ   LYS   3          2HZ       LYS   3  -5.887  12.322   2.394
   37   3HZ   LYS   3          3HZ       LYS   3  -7.251  13.225   2.853
   38    H    ASP   4           H        ASP   4  -6.452  18.888   0.009
   39    HA   ASP   4           HA       ASP   4  -7.145  20.637  -2.232
   40   1HB   ASP   4          2HB       ASP   4  -5.992  20.834   0.519
   41   2HB   ASP   4          1HB       ASP   4  -5.698  22.181  -0.581
   42    HA   PRO   5           HA       PRO   5  -3.263  20.652  -4.320
   43   1HB   PRO   5          2HB       PRO   5  -2.783  23.296  -4.838
   44   2HB   PRO   5          1HB       PRO   5  -4.029  22.357  -5.685
   45   1HG   PRO   5          2HG       PRO   5  -4.314  24.286  -3.438
   46   2HG   PRO   5          1HG       PRO   5  -5.356  24.030  -4.845
   47   1HD   PRO   5          2HD       PRO   5  -5.924  23.070  -2.356
   48   2HD   PRO   5          1HD       PRO   5  -6.487  22.303  -3.858
   49    H    ASN   6           H        ASN   6  -3.541  22.829  -1.560
   50    HA   ASN   6           HA       ASN   6  -0.660  23.213  -1.223
   51   1HB   ASN   6          2HB       ASN   6  -3.101  23.712   0.511
   52   2HB   ASN   6          1HB       ASN   6  -1.471  24.239   0.937
   53   1HD2  ASN   6          1HD2      ASN   6  -4.185  24.829  -1.248
   54   2HD2  ASN   6          2HD2      ASN   6  -3.568  26.261  -1.917
   55    H    ALA   7           H        ALA   7  -3.127  21.021   0.025
   56    HA   ALA   7           HA       ALA   7  -1.689  19.902   2.235
   57   1HB   ALA   7          1HB       ALA   7  -3.381  18.222   2.138
   58   2HB   ALA   7          2HB       ALA   7  -3.591  18.430   0.399
   59   3HB   ALA   7          3HB       ALA   7  -4.151  19.680   1.511
   60    HA   PRO   8           HA       PRO   8   1.235  17.379   0.176
   61   1HB   PRO   8          2HB       PRO   8   1.595  15.372   1.977
   62   2HB   PRO   8          1HB       PRO   8   2.283  16.999   2.119
   63   1HG   PRO   8          2HG       PRO   8   0.117  15.777   3.629
   64   2HG   PRO   8          1HG       PRO   8   1.101  17.200   3.942
   65   1HD   PRO   8          2HD       PRO   8  -1.578  17.145   2.985
   66   2HD   PRO   8          1HD       PRO   8  -0.555  18.554   3.321
   67    H    LYS   9           H        LYS   9   1.654  14.987  -0.498
   68    HA   LYS   9           HA       LYS   9  -0.619  14.013  -1.964
   69   1HB   LYS   9          2HB       LYS   9   2.100  12.895  -1.246
   70   2HB   LYS   9          1HB       LYS   9   0.980  12.043  -2.311
   71   1HG   LYS   9          2HG       LYS   9   1.638  14.927  -2.847
   72   2HG   LYS   9          1HG       LYS   9   2.759  13.664  -3.357
   73   1HD   LYS   9          2HD       LYS   9  -0.187  13.582  -4.035
   74   2HD   LYS   9          1HD       LYS   9   1.004  14.355  -5.082
   75   1HE   LYS   9          2HE       LYS   9   2.286  12.191  -5.136
   76   2HE   LYS   9          1HE       LYS   9   0.952  11.438  -4.238
   77   1HZ   LYS   9          1HZ       LYS   9  -0.581  12.160  -5.950
   78   2HZ   LYS   9          2HZ       LYS   9   0.647  11.211  -6.641
   79   3HZ   LYS   9          3HZ       LYS   9   0.678  12.902  -6.811
   80    H    ARG  10           H        ARG  10  -0.974  11.434  -1.732
   81    HA   ARG  10           HA       ARG  10  -2.131  11.058   0.973
   82   1HB   ARG  10          2HB       ARG  10  -2.349   9.494  -1.623
   83   2HB   ARG  10          1HB       ARG  10  -3.323   9.210  -0.180
   84   1HG   ARG  10          2HG       ARG  10  -4.051  11.652  -0.352
   85   2HG   ARG  10          1HG       ARG  10  -3.314  11.660  -1.955
   86   1HD   ARG  10          2HD       ARG  10  -5.197   9.419  -1.329
   87   2HD   ARG  10          1HD       ARG  10  -5.892  11.023  -1.642
   88    HE   ARG  10           HE       ARG  10  -4.276  10.948  -3.722
   89   1HH1  ARG  10          1HH2      ARG  10  -3.442   8.146  -3.445
   90   2HH1  ARG  10          2HH2      ARG  10  -4.616   7.288  -4.386
   91   1HH2  ARG  10          1HH1      ARG  10  -6.880   9.913  -4.440
   92   2HH2  ARG  10          2HH1      ARG  10  -6.562   8.289  -4.949
   93    HA   PRO  11           HA       PRO  11   1.184   8.282   1.991
   94   1HB   PRO  11          2HB       PRO  11   0.088   7.058   4.174
   95   2HB   PRO  11          1HB       PRO  11   0.716   8.717   4.215
   96   1HG   PRO  11          2HG       PRO  11  -2.085   7.757   4.086
   97   2HG   PRO  11          1HG       PRO  11  -1.413   9.187   4.882
   98   1HD   PRO  11          2HD       PRO  11  -2.762   9.198   2.467
   99   2HD   PRO  11          1HD       PRO  11  -1.663  10.475   3.031
  100    HA   PRO  12           HA       PRO  12  -0.179   4.534   0.006
  101   1HB   PRO  12          2HB       PRO  12   1.994   2.949   0.512
  102   2HB   PRO  12          1HB       PRO  12   2.003   4.232  -0.714
  103   1HG   PRO  12          2HG       PRO  12   3.109   4.248   2.048
  104   2HG   PRO  12          1HG       PRO  12   3.773   4.945   0.563
  105   1HD   PRO  12          2HD       PRO  12   2.502   6.415   2.470
  106   2HD   PRO  12          1HD       PRO  12   2.529   6.858   0.748
  107    H    SER  13           H        SER  13  -0.054   1.985   0.752
  108    HA   SER  13           HA       SER  13  -0.225   1.557   3.637
  109   1HB   SER  13          2HB       SER  13  -2.669   1.158   3.629
  110   2HB   SER  13          1HB       SER  13  -2.288   2.817   3.174
  111    HG   SER  13           HG       SER  13  -3.735   1.161   1.827
  112    H    ALA  14           H        ALA  14   1.218   0.214   1.516
  113    HA   ALA  14           HA       ALA  14   1.752  -1.992   0.967
  114   1HB   ALA  14          1HB       ALA  14   0.281  -2.230   3.292
  115   2HB   ALA  14          2HB       ALA  14   1.070  -3.569   2.459
  116   3HB   ALA  14          3HB       ALA  14  -0.636  -3.233   2.167
  117    H    PHE  15           H        PHE  15  -1.844  -2.117   1.032
  118    HA   PHE  15           HA       PHE  15  -2.079  -3.424  -1.484
  119   1HB   PHE  15          2HB       PHE  15  -3.837  -3.266   0.252
  120   2HB   PHE  15          1HB       PHE  15  -3.986  -1.536  -0.058
  121    HD1  PHE  15           1HD      PHE  15  -5.889  -1.000  -1.288
  122    HD2  PHE  15           2HD      PHE  15  -3.755  -4.614  -2.206
  123    HE1  PHE  15           1HE      PHE  15  -7.463  -1.457  -3.150
  124    HE2  PHE  15           2HE      PHE  15  -5.330  -5.072  -4.066
  125    HZ   PHE  15           HZ       PHE  15  -7.184  -3.492  -4.540
  126    H    PHE  16           H        PHE  16  -1.597  -0.028  -0.715
  127    HA   PHE  16           HA       PHE  16  -2.480   1.009  -3.278
  128   1HB   PHE  16          2HB       PHE  16  -2.279   2.228  -1.051
  129   2HB   PHE  16          1HB       PHE  16  -0.532   2.222  -1.292
  130    HD1  PHE  16           1HD      PHE  16   0.515   3.796  -2.723
  131    HD2  PHE  16           2HD      PHE  16  -3.753   3.318  -2.819
  132    HE1  PHE  16           1HE      PHE  16   0.325   5.792  -4.183
  133    HE2  PHE  16           2HE      PHE  16  -3.944   5.315  -4.279
  134    HZ   PHE  16           HZ       PHE  16  -1.905   6.551  -4.961
  135    H    LEU  17           H        LEU  17   0.593  -0.185  -2.008
  136    HA   LEU  17           HA       LEU  17   2.244   0.761  -4.204
  137   1HB   LEU  17          2HB       LEU  17   2.431  -1.422  -2.114
  138   2HB   LEU  17          1HB       LEU  17   3.712  -1.169  -3.299
  139    HG   LEU  17           HG       LEU  17   3.540   1.338  -2.520
  140   1HD1  LEU  17          1HD1      LEU  17   1.648   1.229  -1.079
  141   2HD1  LEU  17          2HD1      LEU  17   3.043   1.333  -0.005
  142   3HD1  LEU  17          3HD1      LEU  17   2.250  -0.220  -0.274
  143   1HD2  LEU  17          1HD2      LEU  17   5.299   0.921  -0.909
  144   2HD2  LEU  17          2HD2      LEU  17   5.468  -0.252  -2.216
  145   3HD2  LEU  17          3HD2      LEU  17   4.752  -0.740  -0.679
  146    H    PHE  18           H        PHE  18   1.399  -2.571  -3.405
  147    HA   PHE  18           HA       PHE  18   1.753  -3.986  -5.715
  148   1HB   PHE  18          2HB       PHE  18   0.824  -4.916  -3.652
  149   2HB   PHE  18          1HB       PHE  18  -0.680  -4.030  -3.897
  150    HD1  PHE  18           1HD      PHE  18  -2.399  -4.881  -5.312
  151    HD2  PHE  18           2HD      PHE  18   1.483  -6.721  -5.299
  152    HE1  PHE  18           1HE      PHE  18  -3.288  -6.766  -6.654
  153    HE2  PHE  18           2HE      PHE  18   0.593  -8.607  -6.643
  154    HZ   PHE  18           HZ       PHE  18  -1.795  -8.631  -7.319
  155    H    CYS  19           H        CYS  19  -1.409  -2.295  -5.126
  156    HA   CYS  19           HA       CYS  19  -2.401  -2.675  -7.767
  157   1HB   CYS  19          2HB       CYS  19  -3.711  -2.042  -5.745
  158   2HB   CYS  19          1HB       CYS  19  -2.942  -0.457  -5.769
  159    HG   CYS  19           HG       CYS  19  -4.289  -1.042  -8.426
  160    H    SER  20           H        SER  20  -0.649   0.071  -6.328
  161    HA   SER  20           HA       SER  20  -0.708   1.855  -8.521
  162   1HB   SER  20          2HB       SER  20   0.090   2.508  -6.341
  163   2HB   SER  20          1HB       SER  20   1.377   1.308  -6.392
  164    HG   SER  20           HG       SER  20   1.661   3.726  -7.067
  165    H    GLU  21           H        GLU  21   1.354  -0.994  -8.010
  166    HA   GLU  21           HA       GLU  21   2.989  -0.307 -10.377
  167   1HB   GLU  21          2HB       GLU  21   4.304  -2.264  -9.660
  168   2HB   GLU  21          1HB       GLU  21   4.019  -1.168  -8.310
  169   1HG   GLU  21          2HG       GLU  21   2.484  -2.604  -7.294
  170   2HG   GLU  21          1HG       GLU  21   2.110  -3.436  -8.799
  171    H    HIS  22           H        HIS  22   0.305  -2.489  -9.553
  172    HA   HIS  22           HA       HIS  22   0.651  -3.927 -12.139
  173   1HB   HIS  22          2HB       HIS  22  -1.034  -4.325  -9.653
  174   2HB   HIS  22          1HB       HIS  22  -1.180  -5.344 -11.084
  175    HD1  HIS  22           1HD      HIS  22   1.322  -6.341 -11.893
  176    HD2  HIS  22           2HD      HIS  22   0.815  -5.321  -7.883
  177    HE1  HIS  22           1HE      HIS  22   3.132  -7.561 -10.607
  178    H    ARG  23           H        ARG  23  -0.554  -1.052 -11.572
  179    HA   ARG  23           HA       ARG  23  -3.337  -1.376 -12.439
  180   1HB   ARG  23          2HB       ARG  23  -2.581   0.336 -10.816
  181   2HB   ARG  23          1HB       ARG  23  -1.601   1.084 -12.073
  182   1HG   ARG  23          2HG       ARG  23  -3.664   1.410 -13.440
  183   2HG   ARG  23          1HG       ARG  23  -4.613   0.769 -12.098
  184   1HD   ARG  23          2HD       ARG  23  -2.739   3.124 -11.756
  185   2HD   ARG  23          1HD       ARG  23  -4.449   3.321 -12.191
  186    HE   ARG  23           HE       ARG  23  -3.905   1.578  -9.871
  187   1HH1  ARG  23          1HH2      ARG  23  -3.303   4.720  -9.833
  188   2HH1  ARG  23          2HH2      ARG  23  -4.693   5.235  -8.938
  189   1HH2  ARG  23          1HH1      ARG  23  -6.353   2.208  -9.261
  190   2HH2  ARG  23          2HH1      ARG  23  -6.420   3.813  -8.614
  191    HA   PRO  24           HA       PRO  24  -1.603   0.534 -16.448
  192   1HB   PRO  24          2HB       PRO  24   1.084   0.432 -16.929
  193   2HB   PRO  24          1HB       PRO  24   0.298   1.803 -16.124
  194   1HG   PRO  24          2HG       PRO  24   1.890  -0.411 -14.966
  195   2HG   PRO  24          1HG       PRO  24   1.775   1.282 -14.467
  196   1HD   PRO  24          2HD       PRO  24   0.505  -0.819 -13.226
  197   2HD   PRO  24          1HD       PRO  24   0.008   0.880 -13.106
  198    H    LYS  25           H        LYS  25  -0.664  -2.426 -15.020
  199    HA   LYS  25           HA       LYS  25   0.174  -3.774 -17.493
  200   1HB   LYS  25          2HB       LYS  25   0.964  -4.268 -15.130
  201   2HB   LYS  25          1HB       LYS  25  -0.646  -4.912 -14.802
  202   1HG   LYS  25          2HG       LYS  25   0.522  -6.837 -15.432
  203   2HG   LYS  25          1HG       LYS  25  -0.220  -6.346 -16.955
  204   1HD   LYS  25          2HD       LYS  25   1.819  -5.310 -17.705
  205   2HD   LYS  25          1HD       LYS  25   2.567  -5.506 -16.119
  206   1HE   LYS  25          2HE       LYS  25   2.473  -7.967 -16.371
  207   2HE   LYS  25          1HE       LYS  25   1.734  -7.768 -17.974
  208   1HZ   LYS  25          1HZ       LYS  25   4.133  -7.982 -18.172
  209   2HZ   LYS  25          2HZ       LYS  25   4.362  -6.669 -17.117
  210   3HZ   LYS  25          3HZ       LYS  25   3.643  -6.427 -18.637
  211    H    ILE  26           H        ILE  26  -2.717  -3.513 -15.459
  212    HA   ILE  26           HA       ILE  26  -4.284  -5.497 -16.886
  213    HB   ILE  26           HB       ILE  26  -5.044  -3.152 -15.104
  214   1HG1  ILE  26          2HG1      ILE  26  -3.518  -4.750 -14.014
  215   2HG1  ILE  26          1HG1      ILE  26  -5.131  -4.863 -13.320
  216   1HG2  ILE  26          1HG2      ILE  26  -6.617  -5.301 -16.417
  217   2HG2  ILE  26          2HG2      ILE  26  -7.124  -3.698 -15.885
  218   3HG2  ILE  26          3HG2      ILE  26  -6.982  -5.011 -14.716
  219   1HD1  ILE  26          1HD1      ILE  26  -4.360  -7.116 -13.671
  220   2HD1  ILE  26          2HD1      ILE  26  -3.861  -6.749 -15.322
  221   3HD1  ILE  26          3HD1      ILE  26  -5.575  -6.790 -14.908
  222    H    LYS  27           H        LYS  27  -3.407  -2.205 -17.557
  223    HA   LYS  27           HA       LYS  27  -5.726  -1.504 -19.162
  224   1HB   LYS  27          2HB       LYS  27  -2.933  -0.434 -18.741
  225   2HB   LYS  27          1HB       LYS  27  -4.037   0.312 -19.900
  226   1HG   LYS  27          2HG       LYS  27  -5.742   0.406 -17.995
  227   2HG   LYS  27          1HG       LYS  27  -4.406   0.007 -16.915
  228   1HD   LYS  27          2HD       LYS  27  -3.331   2.034 -17.269
  229   2HD   LYS  27          1HD       LYS  27  -4.050   2.254 -18.864
  230   1HE   LYS  27          2HE       LYS  27  -6.308   2.336 -17.410
  231   2HE   LYS  27          1HE       LYS  27  -5.171   2.925 -16.181
  232   1HZ   LYS  27          1HZ       LYS  27  -4.294   4.495 -17.808
  233   2HZ   LYS  27          2HZ       LYS  27  -5.953   4.755 -17.550
  234   3HZ   LYS  27          3HZ       LYS  27  -5.424   3.961 -18.955
  235    H    SER  28           H        SER  28  -2.816  -3.340 -19.755
  236    HA   SER  28           HA       SER  28  -2.721  -2.968 -22.640
  237   1HB   SER  28          2HB