*HEADER    STRUCTURAL PROTEIN                      03-JUN-05   1ZW7              
*TITLE     ELIMINATION OF THE C-CAP IN UBIQUITIN STRUCTURE, DYNAMICS             
*TITLE    2 AND THERMODYNAMIC CONSEQUENCES                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: UBIQUITIN;                                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;                       
*SOURCE   3 ORGANISM_COMMON: YEAST;                                              
*SOURCE   4 GENE: UBI1, RPL40A;                                                  
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA                                   
*KEYWDS    DYNAMICS, THERMODYNAMICS                                              
*EXPDTA    NMR, 21 STRUCTURES                                                    
*AUTHOR    D.N.ERMOLENKO, B.DANGI, A.M.GRONENBORN, G.I.MAKHATADZE                
*REVDAT   1   16-MAY-06 1ZW7    0                                                


assign ( resid 4 and name HN ) ( resid 67 and name N )  4.00  2.20  1.00
assign ( resid 7 and name HN ) ( resid 11 and name N )  4.00  2.20  1.00
assign ( resid 12 and name HN ) ( resid 6 and name N )  4.00  2.20  2.00
!assign ( resid 13 and name HN ) ( resid 78 and name N )  4.00  2.20  2.00
assign ( resid 15 and name HN ) ( resid 3 and name N )  4.00  2.20  1.00
assign ( resid 18 and name HN ) ( resid 21 and name N )  4.00  2.20  1.00
assign ( resid 21 and name HN ) ( resid 56 and name N )  4.00  2.20  1.00
assign ( resid 24 and name HN ) ( resid 22 and name N )  4.00  2.20  1.00
assign ( resid 39 and name HN ) ( resid 41 and name N )  4.00  2.20  1.00
assign ( resid 44 and name HN ) ( resid 68 and name N )  4.00  2.20  1.00

!---------------------------------------------------------------------------
! the first column - 2nd column =lol (1.8 A)
! the first column + 3rd column =upl from dyana
!---------------------------------------------------------------------------
assign ( resid 2 and name HN ) ( resid 1 and name HA )  2.00  0.2  1.00
assign ( resid 2 and name HN ) ( resid 2 and name HA )  2.00  0.2  1.00

assign ( resid 3 and name HN ) ( resid 2 and name HA )  2.00  0.2  1.00
assign ( resid 3 and name HN ) ( resid 2 and name HN )  2.00  0.2  2.00
assign ( resid 3 and name HN ) ( resid 15 and name HN )  2.00  0.2  2.00
!assign ( resid 3 and name HN ) ( resid 1 and name HA )  2.00  0.2  2.00
assign ( resid 3 and name HN ) ( resid 14 and name HA )  2.00  0.2  3.50
assign ( resid 3 and name HN ) ( resid 16 and name HA )  2.00  0.2  3.50

assign ( resid 4 and name HN ) ( resid 3 and name HA )  2.00  0.2  1.00
assign ( resid 4 and name HN ) ( resid 66 and name HA )  2.00  0.2  2.00
assign ( resid 4 and name HN ) ( resid 4 and name HA )  2.00  0.2  2.00

assign ( resid 5 and name HN ) ( resid 4 and name HA )  2.00  0.2  1.00
assign ( resid 5 and name HN ) ( resid 14 and name HA )  2.00  0.2  3.50
assign ( resid 5 and name HN ) ( resid 5 and name HA )  2.00  0.2  3.50


assign ( resid 6 and name HN ) ( resid 69 and name HN )  2.00  0.2  3.50
assign ( resid 6 and name HN ) ( resid 5 and name HA )  2.00  0.2  1.00

assign ( resid 7 and name HN ) ( resid 11 and name HN )  2.00  0.2  3.50
assign ( resid 7 and name HN ) ( resid 6 and name HA )  2.00  0.2  1.00
assign ( resid 7 and name HN ) ( resid 12 and name HA )  2.00  0.2  2.00
assign ( resid 7 and name HN ) ( resid 7 and name HA )  2.00  0.2  3.50

!assign ( resid 8 and name HN ) ( resid 9 and name HA )  2.00  0.2  2.50
assign ( resid 8 and name HN ) ( resid 8 and name HA )  2.00  0.2  2.00
assign ( resid 8 and name HN ) ( resid 7 and name HA )  2.00  0.2  1.00

assign ( resid 9 and name HN ) ( resid 8 and name HN )  2.00  0.2  1.00
assign ( resid 9 and name HN ) ( resid 10 and name HN )  2.00  0.2  1.00
assign ( resid 9 and name HN ) ( resid 8 and name HA )  2.00  0.2  3.50
assign ( resid 9 and name HN ) ( resid 7 and name HA )  2.00  0.2  2.50

assign ( resid 10 and name HN ) ( resid 11 and name HN )  2.00  0.2  2.00
assign ( resid 10 and name HN ) ( resid 10 and name HA1 )  2.00  0.2  1.00
assign ( resid 10 and name HN ) ( resid 10 and name HA2 )  2.00  0.2  1.00
assign ( resid 10 and name HN ) ( resid 9 and name HN )  2.00  0.2  1.00
assign ( resid 10 and name HN ) ( resid 8 and name HA )  2.00  0.2  3.5


assign ( resid 11 and name HN ) ( resid 10 and name HA )  2.00  0.2  2.0
assign ( resid 11 and name HN ) ( resid 7 and name HN )  2.00  0.2  2.0

assign ( resid 12 and name HN ) ( resid 11 and name HA )  2.00  0.2  1.0
assign ( resid 12 and name HN ) ( resid 12 and name HA )  2.00  0.2  2.0

assign ( resid 13 and name HN ) ( resid 12 and name HA )  2.00  0.2  1.0
assign ( resid 13 and name HN ) ( resid 6 and name HA )  2.00  0.2  2.0


assign ( resid 14 and name HN ) ( resid 13 and name HA )  2.00  0.2  1.0
assign ( resid 14 and name HN ) ( resid 14 and name HA )  2.00  0.2  2.0

assign ( resid 15 and name HN ) ( resid 3 and name HN )  2.00  0.2  2.0
assign ( resid 15 and name HN ) ( resid 15 and name HA )  2.00  0.2  2.0
assign ( resid 15 and name HN ) ( resid 4 and name HA )  2.00  0.2  3.5
assign ( resid 15 and name HN ) ( resid 14 and name HA )  2.00  0.2  1.0

assign ( resid 16 and name HN ) ( resid 15 and name HA )  2.00  0.2  1.0
assign ( resid 16 and name HN ) ( resid 16 and name HA )  2.00  0.2  2.0

assign ( resid 17 and name HN ) ( resid 16 and name HA )  2.00  0.2  1.0
assign ( resid 17 and name HN ) ( resid 17 and name HA )  2.00  0.2  2.0
assign ( resid 17 and name HN ) ( resid 2 and name HA )  2.00  0.2  3.5

assign ( resid 18 and name HN ) ( resid 18 and name HA )  2.00  0.2  2.0
assign ( resid 18 and name HN ) ( resid 17 and name HA )  2.00  0.2  2.0

assign ( resid 19 and name HN ) ( resid 20 and name HN )  2.00  0.2  2.0
assign ( resid 19 and name HN ) ( resid 18 and name HA )  2.00  0.2  1.0
assign ( resid 19 and name HN ) ( resid 19 and name HA )  2.00  0.2  1.0

assign ( resid 20 and name HN ) ( resid 19 and name HN )  2.00  0.2  1.0
assign ( resid 20 and name HN ) ( resid 21 and name HN )  2.00  0.2  1.0
assign ( resid 20 and name HN ) ( resid 19 and name HA )  2.00  0.2  2.0
assign ( resid 20 and name HN ) ( resid 20 and name HA )  2.00  0.2  2.0
assign ( resid 20 and name HN ) ( resid 18 and name HA )  2.00  0.2  2.0

assign ( resid 21 and name HN ) ( resid 20 and name HN )  2.00  0.2  1.0
assign ( resid 21 and name HN ) ( resid 20 and name HA )  2.00  0.2  2.0
assign ( resid 21 and name HN ) ( resid 21 and name HA )  2.00  0.2  1.0
assign ( resid 21 and name HN ) ( resid 18 and name HA )  2.00  0.2  3.5


assign ( resid 22 and name HN ) ( resid 21 and name HA )  2.00  0.2  1.0
assign ( resid 22 and name HN ) ( resid 22 and name HA )  2.00  0.2  2.0

assign ( resid 23 and name HN ) ( resid 24 and name HN )  2.00  0.2  2.0
assign ( resid 23 and name HN ) ( resid 55 and name HA )  2.00  0.2  2.0

assign ( resid 25 and name HN ) ( resid 24 and name HN )  2.00  0.2  2.0
assign ( resid 25 and name HN ) ( resid 26 and name HN )  2.00  0.2  2.0
assign ( resid 25 and name HN ) ( resid 25 and name HA )  2.00  0.2  2.0

assign ( resid 26 and name HN ) ( resid 27 and name HN )  2.00  0.2  2.0


assign ( resid 27 and name HN ) ( resid 28 and name HN )  2.00  0.2  2.0
assign ( resid 27 and name HN ) ( resid 26 and name HN )  2.00  0.2  2.0
assign ( resid 27 and name HN ) ( resid 24 and name HA )  2.00  0.2  3.5
assign ( resid 27 and name HN ) ( resid 27 and name HA )  2.00  0.2  2.0

assign ( resid 28 and name HN ) ( resid 27 and name HN )  2.00  0.2  2.0
assign ( resid 28 and name HN ) ( resid 29 and name HN )  2.00  0.2  2.0
assign ( resid 28 and name HN ) ( resid 27 and name HA )  2.00  0.2  2.0
assign ( resid 28 and name HN ) ( resid 28 and name HA )  2.00  0.2  1.0
assign ( resid 28 and name HN ) ( resid 25 and name HA )  2.00  0.2  3.5

assign ( resid 29 and name HN ) ( resid 28 and name HN )  2.00  0.2  1.0
assign ( resid 29 and name HN ) ( resid 30 and name HN )  2.00  0.2  1.0
assign ( resid 29 and name HN ) ( resid 26 and name HA )  2.00  0.2  3.5
assign ( resid 29 and name HN ) ( resid 29 and name HA )  2.00  0.2  1.0

assign ( resid 30 and name HN ) ( resid 29 and name HN )  2.00  0.2  2.0
assign ( resid 30 and name HN ) ( resid 31 and name HN )  2.00  0.2  2.0
assign ( resid 30 and name HN ) ( resid 29 and name HA )  2.00  0.2  2.0
assign ( resid 30 and name HN ) ( resid 30 and name HA )  2.00  0.2  2.0

assign ( resid 31 and name HN ) ( resid 30 and name HN )  2.00  0.2  2.0
assign ( resid 31 and name HN ) ( resid 29 and name HA )  2.00  0.2  1.0
assign ( resid 31 and name HN ) ( resid 30 and name HA )  2.00  0.2  1.0

assign ( resid 33 and name HN ) ( resid 33 and name HA )  2.00  0.2  1.0

assign ( resid 35 and name HN ) ( resid 36 and name HN )  2.00  0.2  2.0
assign ( resid 35 and name HN ) ( resid 35 and name HA1 )  2.00  0.2  2.0
assign ( resid 35 and name HN ) ( resid 35 and name HA2 )  2.00  0.2  2.0

assign ( resid 36 and name HN ) ( resid 35 and name HN )  2.00  0.2  2.0
assign ( resid 36 and name HN ) ( resid 35 and name HN )  2.00  0.2  2.0
! I36 has a strong NOE at 4.52, only possibility is 39ha, 9ha, or 7hb, cterminus
! both of which are very far in the Xray structure
! remember that we do not know about proline 37
assign ( resid 36 and name HN ) ( resid 35 and name HA1 )  2.00  0.2  2.0
assign ( resid 36 and name HN ) ( resid 35 and name HA2 )  2.00  0.2  2.0

assign ( resid 39 and name HN ) ( resid 40 and name HN )  2.00  0.2  1.0
assign ( resid 39 and name HN ) ( resid 39 and name HA )  2.00  0.2  1.0
assign ( resid 39 and name HN ) ( resid 38 and name HA )  2.00  0.2  2.0

assign ( resid 40 and name HN ) ( resid 41 and name HN )  2.00  0.2  2.0
assign ( resid 40 and name HN ) ( resid 39 and name HN )  2.00  0.2  2.0

assign ( resid 41 and name HN ) ( resid 40 and name HN )  2.00  0.2  2.0
assign ( resid 41 and name HN ) ( resid 40 and name HA )  2.00  0.2  2.0
assign ( resid 41 and name HN ) ( resid 41 and name HA )  2.00  0.2  3.5

assign ( resid 42 and name HN ) ( resid 41 and name HA )  2.00  0.2  1.0
assign ( resid 42 and name HN ) ( resid 42 and name HA )  2.00  0.2  2.0
assign ( resid 42 and name HN ) ( resid 43 and name HA )  2.00  0.2  3.5
assign ( resid 42 and name HN ) ( resid 71 and name HA )  2.00  0.2  2.5

assign ( resid 43 and name HN ) ( resid 43 and name HA )  2.00  0.2  2.0
assign ( resid 43 and name HN ) ( resid 42 and name HA )  2.00  0.2  2.0

assign ( resid 44 and name HN ) ( resid 44 and name HA )  2.00  0.2  2.0
assign ( resid 44 and name HN ) ( resid 43 and name HA )  2.00  0.2  1.0

assign ( resid 45 and name HN ) ( resid 48 and name HN )  2.00  0.2  2.0
assign ( resid 45 and name HN ) ( resid 44 and name HA )  2.00  0.2  1.0
assign ( resid 45 and name HN ) ( resid 49 and name HA )  2.00  0.2  3.5

assign ( resid 46 and name HN ) ( resid 47 and name HA )  2.00  0.2  2.0
assign ( resid 46 and name HN ) ( resid 45 and name HA )  2.00  0.2  1.0
assign ( resid 46 and name HN ) ( resid 46 and name HA )  2.00  0.2  1.0

assign ( resid 47 and name HN ) ( resid 46 and name HN )  2.00  0.2  2.0
assign ( resid 47 and name HN ) ( resid 45 and name HA )  2.00  0.2  3.5
assign ( resid 47 and name HN ) ( resid 47 and name HA1 )  2.00  0.2  1.0
assign ( resid 47 and name HN ) ( resid 47 and name HA2 )  2.00  0.2  1.0
assign ( resid 47 and name HN ) ( resid 46 and name HA )  2.00  0.2  2.0

assign ( resid 48 and name HN ) ( resid 45 and name HA )  2.00  0.2  2.0
assign ( resid 48 and name HN ) ( resid 47 and name HA1 )  2.00  0.2  2.0
assign ( resid 48 and name HN ) ( resid 47 and name HA2 )  2.00  0.2  2.0
assign ( resid 48 and name HN ) ( resid 48 and name HA )  2.00  0.2  1.0

assign ( resid 49 and name HN ) ( resid 48 and name HA )  2.00  0.2  1.0
assign ( resid 49 and name HN ) ( resid 49 and name HA )  2.00  0.2  2.0

assign ( resid 50 and name HN ) ( resid 49 and name HA )  2.00  0.2  1.0
assign ( resid 50 and name HN ) ( resid 50 and name HA )  2.00  0.2  3.5
assign ( resid 50 and name HN ) ( resid 44 and name HA )  2.00  0.2  2.0

assign ( resid 53 and name HN ) ( resid 54 and name HN )  2.00  0.2  3.5
assign ( resid 53 and name HN ) ( resid 53 and name HA )  2.00  0.2  2.0
assign ( resid 53 and name HN ) ( resid 52 and name HA )  2.00  0.2  2.0

assign ( resid 54 and name HN ) ( resid 53 and name HN )  2.00  0.2  1.0
assign ( resid 54 and name HN ) ( resid 54 and name HA )  2.00  0.2  1.0

assign ( resid 55 and name HN ) ( resid 58 and name HN )  2.00  0.2  4.0
assign ( resid 55 and name HN ) ( resid 55 and name HA )  2.00  0.2  2.0
assign ( resid 55 and name HN ) ( resid 54 and name HA )  2.00  0.2  1.0

assign ( resid 56 and name HN ) ( resid 57 and name HN )  2.00  0.2  2.0
assign ( resid 56 and name HN ) ( resid 55 and name HA )  2.00  0.2  1.0
assign ( resid 56 and name HN ) ( resid 22 and name HA )  2.00  0.2  3.5
assign ( resid 56 and name HN ) ( resid 56 and name HA )  2.00  0.2  3.5

assign ( resid 57 and name HN ) ( resid 58 and name HN )  2.00  0.2  1.0
assign ( resid 57 and name HN ) ( resid 55 and name HA )  2.00  0.2  3.5
assign ( resid 57 and name HN ) ( resid 56 and name HA )  2.00  0.2  2.0

assign ( resid 58 and name HN ) ( resid 55 and name HN )  2.00  0.2  2.0
assign ( resid 58 and name HN ) ( resid 59 and name HN )  2.00  0.2  1.0
assign ( resid 58 and name HN ) ( resid 57 and name HN )  2.00  0.2  1.0
assign ( resid 58 and name HN ) ( resid 58 and name HA )  2.00  0.2  1.0

assign ( resid 59 and name HN ) ( resid 60 and name HN )  2.00  0.2  1.0
assign ( resid 59 and name HN ) ( resid 58 and name HN )  2.00  0.2  1.0
assign ( resid 59 and name HN ) ( resid 59 and name HA )  2.00  0.2  2.0
assign ( resid 59 and name HN ) ( resid 58 and name HA )  2.00  0.2  2.0
assign ( resid 59 and name HN ) ( resid 56 and name HA )  2.00  0.2  3.5

assign ( resid 60 and name HN ) ( resid 59 and name HN )  2.00  0.2  1.0
assign ( resid 60 and name HN ) ( resid 59 and name HA )  2.00  0.2  3.0
assign ( resid 60 and name HN ) ( resid 60 and name HA )  2.00  0.2  1.0

assign ( resid 61 and name HN ) ( resid 60 and name HN )  2.00  0.2  2.0
assign ( resid 61 and name HN ) ( resid 62 and name HN )  2.00  0.2  3.5
assign ( resid 61 and name HN ) ( resid 61 and name HA )  2.00  0.2  2.0


assign ( resid 62 and name HN ) ( resid 62 and name HA )  2.00  0.2  2.0
assign ( resid 62 and name HN ) ( resid 61 and name HA )  2.00  0.2  1.0

assign ( resid 63 and name HN ) ( resid 63 and name HA )  2.00  0.2  2.0
assign ( resid 63 and name HN ) ( resid 62 and name HA )  2.00  0.2  1.0

assign ( resid 64 and name HN ) ( resid 65 and name HN )  2.00  0.2  2.0
assign ( resid 64 and name HN ) ( resid 3 and name HA )  2.00  0.2  3.5
assign ( resid 64 and name HN ) ( resid 63 and name HA )  2.00  0.2  1.0

assign ( resid 65 and name HN ) ( resid 64 and name HN )  2.00  0.2  1.0
assign ( resid 65 and name HN ) ( resid 65 and name HA )  2.00  0.2  2.0
assign ( resid 65 and name HN ) ( resid 3 and name HA )  2.00  0.2  3.5

assign ( resid 66 and name HN ) ( resid 65 and name HN )  2.00  0.2  2.0
assign ( resid 66 and name HN ) ( resid 66 and name HA )  2.00  0.2  2.0
assign ( resid 66 and name HN ) ( resid 65 and name HA )  2.00  0.2  1.0

assign ( resid 67 and name HN ) ( resid 66 and name HA )  2.00  0.2  2.0
assign ( resid 67 and name HN ) ( resid 68 and name HA )  2.00  0.2  3.5
assign ( resid 67 and name HN ) ( resid 5 and name HA )  2.00  0.2  2.0

assign ( resid 68 and name HN ) ( resid 68 and name HA )  2.00  0.2  1.0
assign ( resid 68 and name HN ) ( resid 44 and name HN )  2.00  0.2  2.0


assign ( resid 70 and name HN ) ( resid 70 and name HA )  2.00  0.2  2.0
assign ( resid 70 and name HN ) ( resid 69 and name HA )  2.00  0.2  2.0

assign ( resid 73 and name HN ) ( resid 72 and name HA )  2.00  0.2  1.0

assign ( resid 75 and name HN ) ( resid 74 and name HA )  2.00  0.2  1.0

assign ( resid 76 and name HN ) ( resid 76 and name HA )  2.00  0.2  1.0


assign ( resid 4 and name HN ) ( resid 67 and name N )  4.00  2.20  1.00

assign ( resid 45 and name HN ) ( resid 50 and name HD2# )  4.00  2.20  0.5
assign ( resid 50 and name HN ) ( resid 50 and name HD2# )  4.00  2.20  0.5
assign ( resid 51 and name HN ) ( resid 50 and name HD2# )  4.00  2.20  0.5

assign ( resid 61 and name HN ) ( resid 60 and name HD1# )  4.00  2.20  0.5

assign (resid  1     and name c ) (resid  2     and name n )
       (resid  2     and name ca) (resid  2     and name c )
       (resid  3     and name n )                               55.1641  30.5784
assign (resid  2     and name c ) (resid  5     and name n )
       (resid  3     and name ca) (resid  3     and name c )
       (resid  4     and name n )                               59.5252 42.15235
assign (resid  3     and name c ) (resid  4     and name n )
       (resid  4     and name ca) (resid  4     and name c )
       (resid  5     and name n )                               55.1841 41.2812
assign (resid  4     and name c ) (resid  5     and name n )
       (resid  5     and name ca) (resid  5     and name c )
       (resid  6     and name n )                               60.4067 34.9204
assign (resid  5     and name c ) (resid  6     and name n )
       (resid  6     and name ca) (resid  6     and name c )
       (resid  7     and name n )                               54.4171 33.0241
assign (resid  6     and name c ) (resid  7     and name n )
       (resid  7     and name ca) (resid  7     and name c )
       (resid  8     and name n )                               61.0508 69.7481
assign (resid  7     and name c ) (resid  8     and name n )
       (resid  8     and name ca) (resid  8     and name c )
       (resid  9     and name n )                               57.6451 41.7638
assign (resid  8     and name c ) (resid  9     and name n )
       (resid  9     and name ca) (resid  9     and name c )
       (resid  10    and name n )                               61.4829 69.0527
assign (resid  9     and name c ) (resid  10    and name n )
       (resid  10    and name ca) (resid  10    and name c )
       (resid  11    and name n )                               45.1941 $noexpectation
assign (resid  10    and name c ) (resid  11    and name n )
       (resid  11    and name ca) (resid  11    and name c )
       (resid  12    and name n )                               51.9928 19.2213
assign (resid  11    and name c ) (resid  12    and name n )
       (resid  12    and name ca) (resid  12    and name c )
       (resid  13    and name n )                               62.5879 69.4536
assign (resid  12    and name c ) (resid  13    and name n )
       (resid  13    and name ca) (resid  13    and name c )
       (resid  14    and name n )                               59.5378 40.4583
assign (resid  13    and name c ) (resid  14    and name n )
       (resid  14    and name ca) (resid  14    and name c )
       (resid  15    and name n )                               61.8738 69.3878
assign (resid  14    and name c ) (resid  15    and name n )
       (resid  15    and name ca) (resid  15    and name c )
       (resid  16    and name n )                               53.2256 46.7375
assign (resid  15    and name c ) (resid  16    and name n )
       (resid  16    and name ca) (resid  16    and name c )
       (resid  17    and name n )                               54.7429 29.2849
assign (resid  16    and name c ) (resid  17    and name n )
       (resid  17    and name ca) (resid  17    and name c )
       (resid  18    and name n )                               58.5677 35.7280
assign (resid  17    and name c ) (resid  18    and name n )
       (resid  18    and name ca) (resid  18    and name c )
       (resid  19    and name n )                               53.7161 31.3525
assign (resid  18    and name c ) (resid  19    and name n )
       (resid  19    and name ca) (resid  19    and name c )
       (resid  20    and name n )                               62.2802  62.2802
assign (resid  19    and name c ) (resid  20    and name n )
       (resid  20    and name ca) (resid  20    and name c )
       (resid  21    and name n )                               57.4081 63.2900
assign (resid  20    and name c ) (resid  21    and name n )
       (resid  21    and name ca) (resid  21    and name c )
       (resid  22    and name n )                               55.202 40.7236
assign (resid  21    and name c ) (resid  22    and name n )
       (resid  22    and name ca) (resid  22    and name c )
       (resid  23    and name n )                               59.9222 71.2044
assign (resid  22    and name c ) (resid  23    and name n )
       (resid  23    and name ca) (resid  23    and name c )
       (resid  24    and name n )                               62.5525 34.8823
assign (resid  23    and name c ) (resid  24    and name n )
       (resid  24    and name ca) (resid  24    and name c )
       (resid  25    and name n )                               57.0737 40.1064
assign (resid  24    and name c ) (resid  25    and name n )
       (resid  25    and name ca) (resid  25    and name c )
       (resid  26    and name n )                               56.3634 39.0631
assign (resid  25    and name c ) (resid  26    and name n )
       (resid  26    and name ca) (resid  26    and name c )
       (resid  27    and name n )                               67.4279 30.8488
assign (resid  26    and name c ) (resid  27    and name n )
       (resid  27    and name ca) (resid  27    and name c )
       (resid  28    and name n )                               60.3475 32.4653
assign (resid  27    and name c ) (resid  28    and name n )
       (resid  28    and name ca) (resid  28    and name c )
       (resid  29    and name n )                               60.9701 62.7500
assign (resid  28    and name c ) (resid  29    and name n )
       (resid  29    and name ca) (resid  29    and name c )
       (resid  30    and name n )                               57.2959 33.4813
assign (resid  29    and name c ) (resid  30    and name n )
       (resid  30    and name ca) (resid  30    and name c )
       (resid  31    and name n )                               61.7108 38.5192
assign (resid  30    and name c ) (resid  31    and name n )
       (resid  31    and name ca) (resid  31    and name c )
       (resid  32    and name n )                               56.3000 28.5537
assign (resid  31    and name c ) (resid  32    and name n )
       (resid  32    and name ca) (resid  32    and name c )
       (resid  33    and name n )                               52.4796 19.3231
assign (resid  32    and name c ) (resid  33    and name n )
       (resid  33    and name ca) (resid  33    and name c )
       (resid  34    and name n )                               50.1433 18.4208
assign (resid  33    and name c ) (resid  34    and name n )
       (resid  34    and name ca) (resid  34    and name c )
       (resid  35    and name n )                               63.841 31.6788
assign (resid  34    and name c ) (resid  35    and name n )
       (resid  35    and name ca) (resid  35    and name c )
       (resid  36    and name n )                               45.5622  $noexpectation
assign (resid  35    and name c ) (resid  36    and name n )
       (resid  36    and name ca) (resid  36    and name c )
       (resid  37    and name n )                               57.2959 38.0074
assign (resid  37    and name c ) (resid  38    and name n )
       (resid  38    and name ca) (resid  38    and name c )
       (resid  39    and name n )                               65.2286 31.8095
assign (resid  38    and name c ) (resid  39    and name n )
       (resid  39    and name ca) (resid  39    and name c )
       (resid  40    and name n )                               54.9536 39.7780
assign (resid  39    and name c ) (resid  40    and name n )
       (resid  40    and name ca) (resid  40    and name c )
       (resid  41    and name n )                               55.5964 29.2088
assign (resid  40    and name c ) (resid  41    and name n )
       (resid  41    and name ca) (resid  41    and name c )
       (resid  42    and name n )                               54.8879 31.8424
assign (resid  41    and name c ) (resid  42    and name n )
       (resid  42    and name ca) (resid  42    and name c )
       (resid  43    and name n )                               53.6515 32.4604
assign (resid  42    and name c ) (resid  43    and name n )
       (resid  43    and name ca) (resid  43    and name c )
       (resid  44    and name n )                               53.5011 45.5934
assign (resid  43    and name c ) (resid  44    and name n )
       (resid  44    and name ca) (resid  44    and name c )
       (resid  45    and name n )                               58.3893 40.5441
assign (resid  44    and name c ) (resid  45    and name n )
       (resid  45    and name ca) (resid  45    and name c )
       (resid  46    and name n )                               56.6566 43.6093
assign (resid  45    and name c ) (resid  46    and name n )
       (resid  46    and name ca) (resid  46    and name c )
       (resid  47    and name n )                               52.5215 16.5637
assign (resid  46    and name c ) (resid  47    and name n )
       (resid  47    and name ca) (resid  47    and name c )
       (resid  48    and name n )                               45.4025 $noexpectation
assign (resid  47    and name c ) (resid  48    and name n )
       (resid  48    and name ca) (resid  48    and name c )
       (resid  49    and name n )                               54.7488 34.3859
assign (resid  48    and name c ) (resid  49    and name n )
       (resid  49    and name ca) (resid  49    and name c )
       (resid  50    and name n )                               56.1294 28.8416
assign (resid  49    and name c ) (resid  50    and name n )
       (resid  50    and name ca) (resid  50    and name c )
       (resid  51    and name n )                               53.9578 41.2591
assign (resid  50    and name c ) (resid  51    and name n )
       (resid  51    and name ca) (resid  51    and name c )
       (resid  52    and name n )                               56.5336 30.9682
assign (resid  51    and name c ) (resid  52    and name n )
       (resid  52    and name ca) (resid  52    and name c )
       (resid  53    and name n )                               56.7221 30.8931
assign (resid  52    and name c ) (resid  53    and name n )
       (resid  53    and name ca) (resid  53    and name c )
       (resid  54    and name n )                               45.2245  $noexpectation
assign (resid  53    and name c ) (resid  54    and name n )
       (resid  54    and name ca) (resid  54    and name c )
       (resid  55    and name n )                               54.7336 32.283
assign (resid  54    and name c ) (resid  55    and name n )
       (resid  55    and name ca) (resid  55    and name c )
       (resid  56    and name n )                               59.8704 72.081
assign (resid  55    and name c ) (resid  56    and name n )
       (resid  56    and name ca) (resid  56    and name c )
       (resid  57    and name n )                               58.8482 40.3054
assign (resid  56    and name c ) (resid  57    and name n )
       (resid  57    and name ca) (resid  57    and name c )
       (resid  58    and name n )                               60.9505 62.0000
assign (resid  57    and name c ) (resid  58    and name n )
       (resid  58    and name ca) (resid  58    and name c )
       (resid  59    and name n )                               57.1965 39.9593
assign (resid  58    and name c ) (resid  59    and name n )
       (resid  59    and name ca) (resid  59    and name c )
       (resid  60    and name n )                               58.1486 39.8364
assign (resid  59    and name c ) (resid  60    and name n )
       (resid  60    and name ca) (resid  60    and name c )
       (resid  61    and name n )                               53.9706 37.3675
assign (resid  60    and name c ) (resid  61    and name n )
       (resid  61    and name ca) (resid  61    and name c )
       (resid  62    and name n )                               62.071 36.8205
assign (resid  61    and name c ) (resid  62    and name n )
       (resid  62    and name ca) (resid  62    and name c )
       (resid  63    and name n )                               53.6632 31.3023
assign (resid  62    and name c ) (resid  63    and name n )
       (resid  63    and name ca) (resid  63    and name c )
       (resid  64    and name n )                               57.4999 32.6922
assign (resid  63    and name c ) (resid  64    and name n )
       (resid  64    and name ca) (resid  64    and name c )
       (resid  65    and name n )                               57.5207 25.766
assign (resid  64    and name c ) (resid  65    and name n )
       (resid  65    and name ca) (resid  65    and name c )
       (resid  66    and name n )                              60.7962 64.6994
assign (resid  65    and name c ) (resid  66    and name n )
       (resid  66    and name ca) (resid  66    and name c )
       (resid  67    and name n )                               62.429 69.5016
assign (resid  66    and name c ) (resid  67    and name n )
       (resid  67    and name ca) (resid  67    and name c )
       (resid  68    and name n )                               53.9458 44.3115
assign (resid  67    and name c ) (resid  68    and name n )
       (resid  68    and name ca) (resid  68    and name c )
       (resid  69    and name n )                               54.8534 31.1202
assign (resid  68    and name c ) (resid  69    and name n )
       (resid  69    and name ca) (resid  69    and name c )
       (resid  70    and name n )                               54.1958 44.4398
assign (resid  69    and name c ) (resid  70    and name n )
       (resid  70    and name ca) (resid  70    and name c )
       (resid  71    and name n )                               59.4178 35.7011
assign (resid  70    and name c ) (resid  71    and name n )
       (resid  71    and name ca) (resid  71    and name c )
       (resid  72    and name n )                               54.4349 42.7800
assign (resid  71    and name c ) (resid  72    and name n )
       (resid  72    and name ca) (resid  72    and name c )
       (resid  73    and name n )                               55.6878 30.9682
assign (resid  72    and name c ) (resid  73    and name n )
       (resid  73    and name ca) (resid  73    and name c )
       (resid  74    and name n )                               55.4104 42.1380
assign (resid  73    and name c ) (resid  74    and name n )
       (resid  74    and name ca) (resid  74    and name c )
       (resid  75    and name n )                               55.9908 30.7937
assign (resid  74    and name c ) (resid  75    and name n )
       (resid  75    and name ca) (resid  75    and name c )
       (resid  76    and name n )                               45.2488 $noexpectation 
assign (resid  75    and name c ) (resid  76    and name n )
       (resid  76    and name ca) (resid  76    and name c )
       (resid  77    and name n )                               45.1638 $noexpectation
assign (resid  76    and name c ) (resid  77    and name n )
       (resid  77    and name ca) (resid  77    and name c )
       (resid  78    and name n )                               55.1995 28.8329
assign (resid  80    and name c ) (resid  81    and name n )
       (resid  81    and name ca) (resid  81    and name c )
       (resid  82    and name n )                               57.1849 29.4900
OBSE (resid 1 and name HA)  4.099
OBSE (resid 2 and name HA)  5.0697
OBSE (resid 3 and name HA)  4.120
OBSE (resid 4 and name HA)  5.627
OBSE (resid 5 and name HA)  4.713
OBSE (resid 6 and name HA)  5.184
OBSE (resid 7 and name HA)  4.808
OBSE (resid 8 and name HA)  4.191
OBSE (resid 9 and name HA) 4.495
OBSE (resid 10 and name HA#) 4.325
OBSE (resid 11 and name HA) 4.352
OBSE (resid 12 and name HA) 5.007
OBSE (resid 13 and name HA) 4.556
OBSE (resid 14 and name HA) 4.876
OBSE (resid 15 and name HA) 4.653
OBSE (resid 16 and name HA) 4.802
OBSE (resid 17 and name HA) 4.629
OBSE (resid 18 and name HA) 4.756
OBSE (resid 19 and name HA) 3.821
OBSE (resid 20 and name HA) 4.309
OBSE (resid 21 and name HA) 4.599
OBSE (resid 22 and name HA) 4.803
OBSE (resid 23 and name HA) 3.489
OBSE (resid 24 and name HA) 4.190
OBSE (resid 25 and name HA) 4.322
OBSE (resid 26 and name HA) 3.295
OBSE (resid 28 and name HA) 3.684
OBSE (resid 28 and name HA) 4.206
OBSE (resid 29 and name HA) 4.130
OBSE (resid 30 and name HA) 3.824
OBSE (resid 31 and name HA) 4.118
OBSE (resid 32 and name HA) 4.210
OBSE (resid 33 and name HA) 4.237
OBSE (resid 35 and name HA#) 4.009
OBSE (resid 38 and name HA) 4.133
OBSE (resid 39 and name HA) 4.443
OBSE (resid 40 and name HA) 4.336
OBSE (resid 41 and name HA) 4.869
OBSE (resid 42 and name HA) 4.614
OBSE (resid 43 and name HA) 5.164
OBSE (resid 44 and name HA) 4.922
OBSE (resid 45 and name HA) 4.984
OBSE (resid 46 and name HA) 3.599
OBSE (resid 47 and name HA#) 3.377
OBSE (resid 48 and name HA) 4.488
OBSE (resid 49 and name HA) 4.245
OBSE (resid 50 and name HA) 3.995
OBSE (resid 51 and name HA) 4.256
OBSE (resid 52 and name HA) 4.249
OBSE (resid 53 and name HA#) 3.809
OBSE (resid 54 and name HA) 4.580
OBSE (resid 55 and name HA) 5.155
OBSE (resid 56 and name HA) 3.973
OBSE (resid 57 and name HA) 4.183
OBSE (resid 58 and name HA) 4.195
OBSE (resid 59 and name HA) 4.567
OBSE (resid 60 and name HA) 4.256
OBSE (resid 61 and name HA) 3.361
OBSE (resid 62 and name HA) 4.399
OBSE (resid 63 and name HA) 3.977
OBSE (resid 64 and name HA) 3.370
OBSE (resid 65 and name HA) 4.561
OBSE (resid 66 and name HA) 5.246
OBSE (resid 67 and name HA) 5.126
OBSE (resid 68 and name HA) 5.129
OBSE (resid 69 and name HA) 5.136
OBSE (resid 70 and name HA) 4.554
OBSE (resid 71 and name HA) 4.672
OBSE (resid 72 and name HA) 4.199
OBSE (resid 73 and name HA) 4.274
OBSE (resid 74 and name HA) 4.290
OBSE (resid 75 and name HA#) 3.888
OBSE (resid 76 and name HA#) 3.810
OBSE (resid 81 and name HA) 4.570
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 3    and name N   )
       ( resid 3    and name HN  )  -4.5330  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 4    and name N   )
       ( resid 4    and name HN  )  -4.7330  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 5    and name N   )
       ( resid 5    and name HN  )  -2.7920  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 6    and name N   )
       ( resid 6    and name HN  )  -1.8280  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 10   and name N   )
       ( resid 10   and name HN  )  -3.7300  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 11   and name N   )
       ( resid 11   and name HN  )  6.0590  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 12   and name N   )
       ( resid 12   and name HN  )  -0.8680  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 13   and name N   )
       ( resid 13   and name HN  )  -0.1580  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 14   and name N   )
       ( resid 14   and name HN  )  -3.5220  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 15   and name N   )
       ( resid 15   and name HN  )  -6.1840  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 16   and name N   )
       ( resid 16   and name HN  )  -0.4030  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 17   and name N   )
       ( resid 17   and name HN  )  0.8790  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 18   and name N   )
       ( resid 18   and name HN  )  9.7550  0.2000

!assign ( resid 600  and name OO  )
!       ( resid 600  and name Z   )
!       ( resid 600  and name X   )
!       ( resid 600  and name Y   )
!       ( resid 19   and name N   )
!       ( resid 19   and name HN  )  13.7750  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 20   and name N   )
       ( resid 20   and name HN  )  3.3140  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 21   and name N   )
       ( resid 21   and name HN  )  1.7000  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 22   and name N   )
       ( resid 22   and name HN  )  -9.9950  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 23   and name N   )
       ( resid 23   and name HN  )  -2.1120  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 25   and name N   )
       ( resid 25   and name HN  )  0.2060  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 26   and name N   )
       ( resid 26   and name HN  )  -2.0510  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 27   and name N   )
       ( resid 27   and name HN  )  -1.4950  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 28   and name N   )
       ( resid 28   and name HN  )  0.4560  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 29   and name N   )
       ( resid 29   and name HN  )  -2.8450  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 30   and name N   )
       ( resid 30   and name HN  )  1.3850  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 31   and name N   )
       ( resid 31   and name HN  )  3.4630  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 32   and name N   )
       ( resid 32   and name HN  )  -4.5240  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 33   and name N   )
       ( resid 33   and name HN  )  -3.5870  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 35   and name N   )
       ( resid 35   and name HN  )  -5.7710  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 36   and name N   )
       ( resid 36   and name HN  )  4.4330  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 39   and name N   )
       ( resid 39   and name HN  )  0.2510  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 40   and name N   )
       ( resid 40   and name HN  )  -3.3680  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 41   and name N   )
       ( resid 41   and name HN  )  -9.3690  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 42   and name N   )
       ( resid 42   and name HN  )  -3.6510  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 43   and name N   )
       ( resid 43   and name HN  )  -1.0540  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 44   and name N   )
       ( resid 44   and name HN  )  0.0900  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 45   and name N   )
       ( resid 45   and name HN  )  -0.7830  0.2000


assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 47   and name N   )
       ( resid 47   and name HN  )  7.9170  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 49   and name N   )
       ( resid 49   and name HN  )  -0.8850  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 50   and name N   )
       ( resid 50   and name HN  )  -1.6340  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 53   and name N   )
       ( resid 53   and name HN  )  3.3260  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 54   and name N   )
       ( resid 54   and name HN  )  0.6190  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 55   and name N   )
       ( resid 55   and name HN  )  -1.5280  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 56   and name N   )
       ( resid 56   and name HN  )  -7.3190  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 57   and name N   )
       ( resid 57   and name HN  )  -10.7690  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 58   and name N   )
       ( resid 58   and name HN  )  -3.8630  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 59   and name N   )
       ( resid 59   and name HN  )  -5.5360  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 62   and name N   )
       ( resid 62   and name HN  )  -7.3430  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 63   and name N   )
       ( resid 63   and name HN  )  4.4050  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 64   and name N   )
       ( resid 64   and name HN  )  -8.5730  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 65   and name N   )
       ( resid 65   and name HN  )  -8.0740  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 66   and name N   )
       ( resid 66   and name HN  )  -7.0530  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 67   and name N   )
       ( resid 67   and name HN  )  -4.8560  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 68   and name N   )
       ( resid 68   and name HN  )  -1.6170  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 69   and name N   )
       ( resid 69   and name HN  )  -3.1010  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 70   and name N   )
       ( resid 70   and name HN  )  -6.1350  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 73   and name N   )
       ( resid 73   and name HN  )  -2.1370  0.2000

!assign ( resid 600  and name OO  )
!       ( resid 600  and name Z   )
!       ( resid 600  and name X   )
!       ( resid 600  and name Y   )
!       ( resid 74   and name N   )
!       ( resid 74   and name HN  )  -1.5720  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 75   and name N   )
       ( resid 75   and name HN  )  -1.4330  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 76   and name N   )
       ( resid 76   and name HN  )  -0.0920  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 77   and name N   )
       ( resid 77   and name HN  )  -1.0390  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 82   and name N   )
       ( resid 82   and name HN  )  -1.1860  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 3    and name N   )
       ( resid 3    and name HN  )  -11.3620  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 4    and name N   )
       ( resid 4    and name HN  )  -13.0100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 5    and name N   )
       ( resid 5    and name HN  )  -7.4460  0.2000

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  )  -13.4500  0.2000

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  )  2.8730  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 8    and name N   )
       ( resid 8    and name HN  )  -9.0750  0.2000

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  )  -0.1320  0.2000

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  )  -11.4130  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 11   and name N   )
       ( resid 11   and name HN  )  12.3890  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 12   and name N   )
       ( resid 12   and name HN  )  -5.5830  0.2000

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  )  -0.3940  0.2000

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  )  -14.0680  0.2000

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  )  -11.4170  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 16   and name N   )
       ( resid 16   and name HN  )  -5.3050  0.2000

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  )  2.9200  0.2000

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  )  19.4580  0.2000

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  )  18.3470  0.2000

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  )  14.9570  0.2000

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  )  5.3320  0.2000

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  )  -11.3510  0.2000

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  )  -13.1940  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 24   and name N   )
       ( resid 24   and name HN  )  -7.1940  0.2000

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  )  -13.4150  0.2000

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  )  -13.7890  0.2000

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  )  -13.1860  0.2000

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  )  -13.7140  0.2000

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  )  -1.9060  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 31   and name N   )
       ( resid 31   and name HN  )  5.6520  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 32   and name N   )
       ( resid 32   and name HN  )  -6.6080  0.2000

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  )  -9.0090  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 35   and name N   )
       ( resid 35   and name HN  )  -3.3190  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 36   and name N   )
       ( resid 36   and name HN  )  14.7990  0.2000

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  )  -3.1210  0.2000

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  )  -6.1040  0.2000

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  )  -10.1070  0.2000

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  )  -12.3490  0.2000

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  )  -12.5990  0.2000

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  )  0.6990  0.2000

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  )  -5.4300  0.2000

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  )  -10.4270  0.2000

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  )  21.6030  0.2000

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  )  2.5800  0.2000

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  )  -16.9440  1.0000

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  )  6.3690  0.2000

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  )  -4.5170  0.2000

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  )  -14.8090  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 56   and name N   )
       ( resid 56   and name HN  )  -8.5000  0.2000

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  )  -10.7310  0.2000

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  )  -9.3220  0.2000

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  )  -7.2360  0.2000

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  )  -12.2430  0.2000

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  )  -3.8890  0.2000

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  )  -4.2580  0.2000

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  )  1.7590  0.2000

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  )  -10.3630  0.2000

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  )  -10.7460  0.2000

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  )  -12.1020  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 67   and name N   )
       ( resid 67   and name HN  )  -5.9410  0.2000

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  )  -12.0440  0.2000

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  )  -6.2640  0.2000

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  )  -14.7610  0.2000

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  )  -6.3820  0.2000

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  )  -5.0970  0.2000

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  )  -2.7280  0.2000

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  )  -1.3980  0.2000

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  )  -2.1290  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 82   and name N   )
       ( resid 82   and name HN  )  -1.2700  0.2000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 2    and name CA  )
       ( resid 2    and name C   )  -0.9660  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 3    and name CA  )
       ( resid 3    and name C   )  1.0867  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 4    and name CA  )
       ( resid 4    and name C   )  -1.4791  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 5    and name CA  )
       ( resid 5    and name C   )  6.0372  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 6    and name CA  )
       ( resid 6    and name C   )  -2.5658  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 7    and name CA  )
       ( resid 7    and name C   )  3.9091  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 8    and name CA  )
       ( resid 8    and name C   )  1.6301  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 9    and name CA  )
       ( resid 9    and name C   )  -3.3658  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 10   and name CA  )
       ( resid 10   and name C   )  2.7922  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 11   and name CA  )
       ( resid 11   and name C   )  4.7392  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 12   and name CA  )
       ( resid 12   and name C   )  -1.6150  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 13   and name CA  )
       ( resid 13   and name C   )  -0.7848  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 14   and name CA  )
       ( resid 14   and name C   )  0.6339  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 15   and name CA  )
       ( resid 15   and name C   )  -2.7771  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 16   and name CA  )
       ( resid 16   and name C   )  1.2678  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 17   and name CA  )
       ( resid 17   and name C   )  -1.3584  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 18   and name CA  )
       ( resid 18   and name C   )  -0.7547  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 19   and name CA  )
       ( resid 19   and name C   )  -0.1358  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 20   and name CA  )
       ( resid 20   and name C   )  1.9772  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 21   and name CA  )
       ( resid 21   and name C   )  1.2225  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 22   and name CA  )
       ( resid 22   and name C   )  2.8073  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 23   and name CA  )
       ( resid 23   and name C   )  -1.8414  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 24   and name CA  )
       ( resid 24   and name C   )  -0.2113  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 25   and name CA  )
       ( resid 25   and name C   )  0.5434  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 26   and name CA  )
       ( resid 26   and name C   )  -2.4149  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 27   and name CA  )
       ( resid 27   and name C   )  0.6188  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 28   and name CA  )
       ( resid 28   and name C   )  -3.3959  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 29   and name CA  )
       ( resid 29   and name C   )  1.9017  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 30   and name CA  )
       ( resid 30   and name C   )  -3.1394  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 31   and name CA  )
       ( resid 31   and name C   )  0.8905  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 32   and name CA  )
       ( resid 32   and name C   )  0.6792  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 33   and name CA  )
       ( resid 33   and name C   )  -0.8754  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 35   and name CA  )
       ( resid 35   and name C   )  3.0035  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 36   and name CA  )
       ( resid 36   and name C   )  -2.2942  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 39   and name CA  )
       ( resid 39   and name C   )  -1.3584  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 40   and name CA  )
       ( resid 40   and name C   )  -0.2868  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 41   and name CA  )
       ( resid 41   and name C   )  1.3433  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 42   and name CA  )
       ( resid 42   and name C   )  -1.8414  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 43   and name CA  )
       ( resid 43   and name C   )  3.4412  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 44   and name CA  )
       ( resid 44   and name C   )  -3.2450  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 45   and name CA  )
       ( resid 45   and name C   )  4.7241  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 46   and name CA  )
       ( resid 46   and name C   )  -2.9432  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 47   and name CA  )
       ( resid 47   and name C   )  4.3770  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 48   and name CA  )
       ( resid 48   and name C   )  -0.6641  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 49   and name CA  )
       ( resid 49   and name C   )  -2.8224  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 50   and name CA  )
       ( resid 50   and name C   )  -0.1811  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 51   and name CA  )
       ( resid 51   and name C   )  -0.3019  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 52   and name CA  )
       ( resid 52   and name C   )  -1.3735  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 53   and name CA  )
       ( resid 53   and name C   )  -1.8715  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 54   and name CA  )
       ( resid 54   and name C   )  3.3959  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 55   and name CA  )
       ( resid 55   and name C   )  3.3959  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 56   and name CA  )
       ( resid 56   and name C   )  -1.2225  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 57   and name CA  )
       ( resid 57   and name C   )  -0.9056  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 58   and name CA  )
       ( resid 58   and name C   )  1.0716  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 59   and name CA  )
       ( resid 59   and name C   )  -2.0527  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 60   and name CA  )
       ( resid 60   and name C   )  4.1355  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 61   and name CA  )
       ( resid 61   and name C   )  -3.0488  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 62   and name CA  )
       ( resid 62   and name C   )  5.2977  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 63   and name CA  )
       ( resid 63   and name C   )  -2.7319  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 64   and name CA  )
       ( resid 64   and name C   )  -2.5356  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 65   and name CA  )
       ( resid 65   and name C   )  2.4451  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 66   and name CA  )
       ( resid 66   and name C   )  -0.9961  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 67   and name CA  )
       ( resid 67   and name C   )  4.0902  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 68   and name CA  )
       ( resid 68   and name C   )  0.0000  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 69   and name CA  )
       ( resid 69   and name C   )  2.2338  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 70   and name CA  )
       ( resid 70   and name C   )  3.4261  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 71   and name CA  )
       ( resid 71   and name C   )  2.4904  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 72   and name CA  )
       ( resid 72   and name C   )  -0.1057  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 73   and name CA  )
       ( resid 73   and name C   )  3.3507  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 74   and name CA  )
       ( resid 74   and name C   )  0.2264  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 75   and name CA  )
       ( resid 75   and name C   )  1.3433  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 76   and name CA  )
       ( resid 76   and name C   )  0.8603  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 77   and name CA  )
       ( resid 77   and name C   )  0.3622  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 82   and name CA  )
       ( resid 82   and name C   )  -0.6641  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 0    and name CA  )
       ( resid 0    and name C   )  0.0000  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 0    and name CA  )
       ( resid 0    and name C   )  0.0000  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 0    and name CA  )
       ( resid 0    and name C   )  0.0000  0.3500

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 0    and name CA  )
       ( resid 0    and name C   )  0.0000  0.3500

! PHI-GLN-2 
 assign ( resid 2 and name c  ) ( resid 3 and name n )
        ( resid 3 and name ca ) ( resid 3 and name c )
  1.0  -97.00  23.00  2 
! PHI-ILE-3 
 assign ( resid 3 and name c  ) ( resid 4 and name n )
        ( resid 4 and name ca ) ( resid 4 and name c )
  1.0  -137.00  23.00  2 
! PHI-PHE-4 
 assign ( resid 4 and name c  ) ( resid 5 and name n )
        ( resid 5 and name ca ) ( resid 5 and name c )
  1.0  -114.00  28.00  2 
! PHI-VAL-5 
 assign ( resid 5 and name c  ) ( resid 6 and name n )
        ( resid 6 and name ca ) ( resid 6 and name c )
  1.0  -123.00  32.00  2 
! PHI-LYS-6 
 assign ( resid 6 and name c  ) ( resid 7 and name n )
        ( resid 7 and name ca ) ( resid 7 and name c )
  1.0  -103.00  11.00  2 
! PHI-THR-7 
 assign ( resid 7 and name c  ) ( resid 8 and name n )
        ( resid 8 and name ca ) ( resid 8 and name c )
  1.0  -94.00  16.00  2 

! PHI-LEU-8 
! assign ( resid 8 and name c  ) ( resid 9 and name n )
!        ( resid 9 and name ca ) ( resid 9 and name c )
!  1.0  -74.00  36.00   2 
! PHI-THR-9 
! assign ( resid 9 and name c  ) ( resid 10 and name n )
!        ( resid 10 and name ca ) ( resid 10 and name c )
!  1.0  -103.00  35.00  2 

! PHI-ILE-13 
 assign ( resid 13 and name c  ) ( resid 14 and name n )
        ( resid 14 and name ca ) ( resid 14 and name c )
  1.0  -123.00  36.00  2 
! PHI-THR-14 
 assign ( resid 14 and name c  ) ( resid 15 and name n )
        ( resid 15 and name ca ) ( resid 15 and name c )
  1.0  -101.00  38.00  2 
! PHI-LEU-15 
 assign ( resid 15 and name c  ) ( resid 16 and name n )
        ( resid 16 and name ca ) ( resid 16 and name c )
  1.0  -123.00  18.00  2 
! PHI-GLU-16 
 assign ( resid 16 and name c  ) ( resid 17 and name n )
        ( resid 17 and name ca ) ( resid 17 and name c )
  1.0  -99.00  9.00   2 
! PHI-VAL-17 
 assign ( resid 17 and name c  ) ( resid 18 and name n )
        ( resid 18 and name ca ) ( resid 18 and name c )
  1.0  -138.00  15.00  2 
! PHI-GLU-18 
 assign ( resid 18 and name c  ) ( resid 19 and name n )
        ( resid 19 and name ca ) ( resid 19 and name c )
  1.0  -104.00  42.00  2 
! PHI-SER-20 
 assign ( resid 20 and name c  ) ( resid 21 and name n )
        ( resid 21 and name ca ) ( resid 21 and name c )
  1.0  -99.00  16.00  2 
! PHI-THR-22 
! assign ( resid 22 and name c  ) ( resid 23 and name n )
!        ( resid 23 and name ca ) ( resid 23 and name c )
!  1.0  -107.00  29.00  2 
! PHI-ILE-23 
 assign ( resid 23 and name c  ) ( resid 24 and name n )
        ( resid 24 and name ca ) ( resid 24 and name c )
  1.0  -63.00  20.00   2 
! PHI-ASP-24 
 assign ( resid 24 and name c  ) ( resid 25 and name n )
        ( resid 25 and name ca ) ( resid 25 and name c )
  1.0  -63.00  6.00   2 
! PHI-ASN-25 
 assign ( resid 25 and name c  ) ( resid 26 and name n )
        ( resid 26 and name ca ) ( resid 26 and name c )
  1.0  -63.00  6.00   2 
! PHI-VAL-26 
 assign ( resid 26 and name c  ) ( resid 27 and name n )
        ( resid 27 and name ca ) ( resid 27 and name c )
  1.0  -65.00  6.00   2 
! PHI-LYS-27 
 assign ( resid 27 and name c  ) ( resid 28 and name n )
        ( resid 28 and name ca ) ( resid 28 and name c )
  1.0  -60.00  4.00   2 
! PHI-ALA-33 
 assign ( resid 33 and name c  ) ( resid 34 and name n )
        ( resid 34 and name ca ) ( resid 34 and name c )
  1.0  -96.00  25.00  2 
! PHI-ILE-36 
 assign ( resid 36 and name c  ) ( resid 37 and name n )
        ( resid 37 and name ca ) ( resid 37 and name c )
  1.0  -80.00  13.00  2 
! PHI-PRO-38 
 assign ( resid 38 and name c  ) ( resid 39 and name n )
        ( resid 39 and name ca ) ( resid 39 and name c )
  1.0  -57.00  20.00   2 
! PHI-ASP-39 
 assign ( resid 39 and name c  ) ( resid 40 and name n )
        ( resid 40 and name ca ) ( resid 40 and name c )
  1.0  -93.00  13.00  2 
! PHI-GLN-41 
 assign ( resid 41 and name c  ) ( resid 42 and name n )
        ( resid 42 and name ca ) ( resid 42 and name c )
  1.0  -120.00  30.00  2 
! PHI-GLU-42 
 assign ( resid 42 and name c  ) ( resid 43 and name n )
        ( resid 43 and name ca ) ( resid 43 and name c )
  1.0  -121.00  27.00  2 
! PHI-LEU-43 
 assign ( resid 43 and name c  ) ( resid 44 and name n )
        ( resid 44 and name ca ) ( resid 44 and name c )
  1.0  -112.00  32.00  2 
! PHI-ILE-44 
 assign ( resid 44 and name c  ) ( resid 45 and name n )
        ( resid 45 and name ca ) ( resid 45 and name c )
  1.0  -116.00  30.00  2 
! PHI-LYS-48 
 assign ( resid 48 and name c  ) ( resid 49 and name n )
        ( resid 49 and name ca ) ( resid 49 and name c )
  1.0  -100.00  31.00  2 
! PHI-ASP-52 
 assign ( resid 52 and name c  ) ( resid 53 and name n )
        ( resid 53 and name ca ) ( resid 53 and name c )
  1.0  -71.00  11.00  2 
! PHI-ARG-54 
 assign ( resid 54 and name c  ) ( resid 55 and name n )
        ( resid 55 and name ca ) ( resid 55 and name c )
  1.0  -103.00  24.00  2 
! PHI-THR-55 
 assign ( resid 55 and name c  ) ( resid 56 and name n )
        ( resid 56 and name ca ) ( resid 56 and name c )
  1.0  -101.00  50.00  2 
! PHI-LEU-56 
 assign ( resid 56 and name c  ) ( resid 57 and name n )
        ( resid 57 and name ca ) ( resid 57 and name c )
  1.0  -61.00  5.00   2 
! PHI-SER-57 
 assign ( resid 57 and name c  ) ( resid 58 and name n )
        ( resid 58 and name ca ) ( resid 58 and name c )
  1.0  -68.00  6.00   2 
! PHI-TYR-59 
 assign ( resid 59 and name c  ) ( resid 60 and name n )
        ( resid 60 and name ca ) ( resid 60 and name c )
  1.0  -96.00  19.00  2 
! PHI-THR-66 
 assign ( resid 66 and name c  ) ( resid 67 and name n )
        ( resid 67 and name ca ) ( resid 67 and name c )
  1.0  -104.00  23.00  2 
! PHI-LEU-67 
 assign ( resid 67 and name c  ) ( resid 68 and name n )
        ( resid 68 and name ca ) ( resid 68 and name c )
  1.0  -109.00  10.00  2 
! PHI-HIS-68 
 assign ( resid 68 and name c  ) ( resid 69 and name n )
        ( resid 69 and name ca ) ( resid 69 and name c )
  1.0  -122.00  20.00  2 
! PHI-LEU-69 
 assign ( resid 69 and name c  ) ( resid 70 and name n )
        ( resid 70 and name ca ) ( resid 70 and name c )
  1.0  -99.00  14.00  2 
! PHI-VAL-70 
 assign ( resid 70 and name c  ) ( resid 71 and name n )
        ( resid 71 and name ca ) ( resid 71 and name c )
  1.0  -132.00  18.00  2 
! PHI-ARG-72 
 assign ( resid 72 and name c  ) ( resid 73 and name n )
        ( resid 73 and name ca ) ( resid 73 and name c )
  1.0  -88.00  17.00  2 
! PHI-ARG-74 
 assign ( resid 74 and name c  ) ( resid 75 and name n )
        ( resid 75 and name ca ) ( resid 75 and name c )
  1.0  -96.00  20.00  2 
! PHI-HIS-78 
 assign ( resid 78 and name c  ) ( resid 79 and name n )
        ( resid 79 and name ca ) ( resid 79 and name c )
  1.0  -83.00  22.00  2 
! PHI-HIS-79 
 assign ( resid 79 and name c  ) ( resid 80 and name n )
        ( resid 80 and name ca ) ( resid 80 and name c )
  1.0  -87.00  25.00  2 
! PHI-HIS-80 
 assign ( resid 80 and name c  ) ( resid 81 and name n )
        ( resid 81 and name ca ) ( resid 81 and name c )
  1.0  -88.00  20.00  2 
! PHI-HIS-81 
 assign ( resid 81 and name c  ) ( resid 82 and name n )
        ( resid 82 and name ca ) ( resid 82 and name c )
  1.0  -97.00  20.00  2 
! PSI-GLN-2 
 assign ( resid 2 and name n ) ( resid 2 and name ca )
        ( resid 2 and name c ) ( resid 3 and name n  )
  1.0 129.00  30.00 2 
! PSI-ILE-3 
 assign ( resid 3 and name n ) ( resid 3 and name ca )
        ( resid 3 and name c ) ( resid 4 and name n  )
  1.0 159.00  12.00 2 
! PSI-PHE-4 
 assign ( resid 4 and name n ) ( resid 4 and name ca )
        ( resid 4 and name c ) ( resid 5 and name n  )
  1.0 142.00  13.00 2 
! PSI-VAL-5 
 assign ( resid 5 and name n ) ( resid 5 and name ca )
        ( resid 5 and name c ) ( resid 6 and name n  )
  1.0 130.00  26.00 2 
! PSI-LYS-6 
 assign ( resid 6 and name n ) ( resid 6 and name ca )
        ( resid 6 and name c ) ( resid 7 and name n  )
  1.0 127.00  32.00 2 
! PSI-THR-7 
 assign ( resid 7 and name n ) ( resid 7 and name ca )
        ( resid 7 and name c ) ( resid 8 and name n  )
  1.0 164.00  20.00 2 

! PSI-LEU-8 
! assign ( resid 8 and name n ) ( resid 8 and name ca )
!        ( resid 8 and name c ) ( resid 9 and name n  )
!  1.0 -17.00  26.00 2 
! PSI-THR-9 
! assign ( resid 9 and name n ) ( resid 9 and name ca )
!        ( resid 9 and name c ) ( resid 10 and name n  )
!  1.0 7.00    34.00 2 

! PSI-ILE-13 
 assign ( resid 13 and name n ) ( resid 13 and name ca )
        ( resid 13 and name c ) ( resid 14 and name n  )
  1.0 141.00  30.00 2 
! PSI-THR-14 
 assign ( resid 14 and name n ) ( resid 14 and name ca )
        ( resid 14 and name c ) ( resid 15 and name n  )
  1.0 130.00  10.00 2 
! PSI-LEU-15 
 assign ( resid 15 and name n ) ( resid 15 and name ca )
        ( resid 15 and name c ) ( resid 16 and name n  )
  1.0 150.00  12.00 2 
! PSI-GLU-16 
 assign ( resid 16 and name n ) ( resid 16 and name ca )
        ( resid 16 and name c ) ( resid 17 and name n  )
  1.0 131.00  14.00 2 
! PSI-VAL-17 
 assign ( resid 17 and name n ) ( resid 17 and name ca )
        ( resid 17 and name c ) ( resid 18 and name n  )
  1.0 154.00  16.00 2 
! PSI-GLU-18 
 assign ( resid 18 and name n ) ( resid 18 and name ca )
        ( resid 18 and name c ) ( resid 19 and name n  )
  1.0 141.00  18.00 2 
! PSI-SER-20 
 assign ( resid 20 and name n ) ( resid 20 and name ca )
        ( resid 20 and name c ) ( resid 21 and name n  )
  1.0 -1.00   23.00 2 
! PSI-THR-22 
 assign ( resid 22 and name n ) ( resid 22 and name ca )
        ( resid 22 and name c ) ( resid 23 and name n  )
  1.0 160.00  26.00 2 
! PSI-ILE-23 
 assign ( resid 23 and name n ) ( resid 23 and name ca )
        ( resid 23 and name c ) ( resid 24 and name n  )
  1.0 -32.00  10.00 2 
! PSI-ASP-24 
 assign ( resid 24 and name n ) ( resid 24 and name ca )
        ( resid 24 and name c ) ( resid 25 and name n  )
  1.0 -42.00  9.00  2 
! PSI-ASN-25 
 assign ( resid 25 and name n ) ( resid 25 and name ca )
        ( resid 25 and name c ) ( resid 26 and name n  )
  1.0 -45.00  6.00  2 
! PSI-VAL-26 
 assign ( resid 26 and name n ) ( resid 26 and name ca )
        ( resid 26 and name c ) ( resid 27 and name n  )
  1.0 -43.00  7.00  2 
! PSI-LYS-27 
 assign ( resid 27 and name n ) ( resid 27 and name ca )
        ( resid 27 and name c ) ( resid 28 and name n  )
  1.0 -42.00  6.00  2 
! PSI-ALA-33 
 assign ( resid 33 and name n ) ( resid 33 and name ca )
        ( resid 33 and name c ) ( resid 34 and name n  )
  1.0 116.00  27.00 2 
! PSI-ILE-36 
 assign ( resid 36 and name n ) ( resid 36 and name ca )
        ( resid 36 and name c ) ( resid 37 and name n  )
  1.0 141.00  17.00 2 
! PSI-PRO-38 
 assign ( resid 38 and name n ) ( resid 38 and name ca )
        ( resid 38 and name c ) ( resid 39 and name n  )
  1.0 -26.00  11.00 2 
! PSI-ASP-39 
 assign ( resid 39 and name n ) ( resid 39 and name ca )
        ( resid 39 and name c ) ( resid 40 and name n  )
  1.0 -9.00   22.00 2 
! PSI-GLN-41 
 assign ( resid 41 and name n ) ( resid 41 and name ca )
        ( resid 41 and name c ) ( resid 42 and name n  )
  1.0 148.00  16.00 2 
! PSI-GLU-42 
 assign ( resid 42 and name n ) ( resid 42 and name ca )
        ( resid 42 and name c ) ( resid 43 and name n  )
  1.0 145.00  10.00 2 
! PSI-LEU-43 
 assign ( resid 43 and name n ) ( resid 43 and name ca )
        ( resid 43 and name c ) ( resid 44 and name n  )
  1.0 132.00  13.00 2 
! PSI-ILE-44 
 assign ( resid 44 and name n ) ( resid 44 and name ca )
        ( resid 44 and name c ) ( resid 45 and name n  )
  1.0 133.00  14.00 2 
! PSI-LYS-48 
 assign ( resid 48 and name n ) ( resid 48 and name ca )
        ( resid 48 and name c ) ( resid 49 and name n  )
  1.0 137.00  25.00 2 
! PSI-ASP-52 
 assign ( resid 52 and name n ) ( resid 52 and name ca )
        ( resid 52 and name c ) ( resid 53 and name n  )
  1.0 -23.00  11.00 2 
! PSI-ARG-54 
 assign ( resid 54 and name n ) ( resid 54 and name ca )
        ( resid 54 and name c ) ( resid 55 and name n  )
  1.0 149.00  14.00 2 
! PSI-THR-55 
 assign ( resid 55 and name n ) ( resid 55 and name ca )
        ( resid 55 and name c ) ( resid 56 and name n  )
  1.0 164.00  12.00 2 
! PSI-LEU-56 
 assign ( resid 56 and name n ) ( resid 56 and name ca )
        ( resid 56 and name c ) ( resid 57 and name n  )
  1.0 -35.00  20.00  2 
! PSI-SER-57 
 assign ( resid 57 and name n ) ( resid 57 and name ca )
        ( resid 57 and name c ) ( resid 58 and name n  )
  1.0 -36.00  6.00  2 
! PSI-TYR-59 
 assign ( resid 59 and name n ) ( resid 59 and name ca )
        ( resid 59 and name c ) ( resid 60 and name n  )
  1.0 1.00    35.00 2 
! PSI-THR-66 
 assign ( resid 66 and name n ) ( resid 66 and name ca )
        ( resid 66 and name c ) ( resid 67 and name n  )
  1.0 120.00  30.00 2 
! PSI-LEU-67 
 assign ( resid 67 and name n ) ( resid 67 and name ca )
        ( resid 67 and name c ) ( resid 68 and name n  )
  1.0 141.00  9.00  2 
! PSI-HIS-68 
 assign ( resid 68 and name n ) ( resid 68 and name ca )
        ( resid 68 and name c ) ( resid 69 and name n  )
  1.0 134.00  17.00 2 
! PSI-LEU-69 
 assign ( resid 69 and name n ) ( resid 69 and name ca )
        ( resid 69 and name c ) ( resid 70 and name n  )
  1.0 134.00  12.00 2 
! PSI-VAL-70 
 assign ( resid 70 and name n ) ( resid 70 and name ca )
        ( resid 70 and name c ) ( resid 71 and name n  )
  1.0 147.00  10.00 2 
! PSI-ARG-72 
 assign ( resid 72 and name n ) ( resid 72 and name ca )
        ( resid 72 and name c ) ( resid 73 and name n  )
  1.0 136.00  21.00 2 
! PSI-ARG-74 
 assign ( resid 74 and name n ) ( resid 74 and name ca )
        ( resid 74 and name c ) ( resid 75 and name n  )
  1.0 -2.00   16.00 2 
! PSI-HIS-78 
 assign ( resid 78 and name n ) ( resid 78 and name ca )
        ( resid 78 and name c ) ( resid 79 and name n  )
  1.0 135.00  24.00 2 
! PSI-HIS-79 
 assign ( resid 79 and name n ) ( resid 79 and name ca )
        ( resid 79 and name c ) ( resid 80 and name n  )
  1.0 128.00  21.00 2 
! PSI-HIS-80 
 assign ( resid 80 and name n ) ( resid 80 and name ca )
        ( resid 80 and name c ) ( resid 81 and name n  )
  1.0 131.00  25.00 2 
! PSI-HIS-81 
 assign ( resid 81 and name n ) ( resid 81 and name ca )
        ( resid 81 and name c ) ( resid 82 and name n  )
1.0 111.00  16.00  2 




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1HT       MET   1  -7.403   6.880 -17.257
    2   2H    MET   1          2HT       MET   1  -7.206   8.441 -16.574
    3   3H    MET   1          3HT       MET   1  -8.564   7.483 -16.150
    4    HA   MET   1           HA       MET   1  -5.946   6.348 -15.702
    5   1HB   MET   1          2HB       MET   1  -6.003   7.576 -13.427
    6   2HB   MET   1          1HB       MET   1  -5.402   8.444 -14.831
    7   1HG   MET   1          2HG       MET   1  -8.064   9.055 -14.881
    8   2HG   MET   1          1HG       MET   1  -7.736   8.954 -13.152
    9   1HE   MET   1          1HE       MET   1  -4.677  10.924 -15.621
   10   2HE   MET   1          2HE       MET   1  -6.159  11.475 -16.404
   11   3HE   MET   1          3HE       MET   1  -5.852   9.750 -16.211
   12    H    GLN   2           H        GLN   2  -6.257   4.490 -14.696
   13    HA   GLN   2           HA       GLN   2  -8.293   4.128 -12.715
   14   1HB   GLN   2          2HB       GLN   2  -8.864   3.438 -15.440
   15   2HB   GLN   2          1HB       GLN   2  -8.774   1.964 -14.484
   16   1HG   GLN   2          2HG       GLN   2 -10.524   2.625 -13.087
   17   2HG   GLN   2          1HG       GLN   2 -10.407   4.310 -13.590
   18   1HE2  GLN   2          1HE2      GLN   2 -12.837   3.391 -13.642
   19   2HE2  GLN   2          2HE2      GLN   2 -13.373   3.007 -15.238
   20    H    ILE   3           H        ILE   3  -7.515   2.826 -11.238
   21    HA   ILE   3           HA       ILE   3  -5.407   0.899 -11.996
   22    HB   ILE   3           HB       ILE   3  -4.564   1.168  -9.628
   23   1HG1  ILE   3          2HG1      ILE   3  -5.681   3.892  -9.483
   24   2HG1  ILE   3          1HG1      ILE   3  -6.852   2.603  -9.227
   25   1HG2  ILE   3          1HG2      ILE   3  -4.391   3.387 -11.641
   26   2HG2  ILE   3          2HG2      ILE   3  -3.247   2.079 -11.341
   27   3HG2  ILE   3          3HG2      ILE   3  -3.431   3.379 -10.163
   28   1HD1  ILE   3          1HD1      ILE   3  -5.597   1.739  -7.391
   29   2HD1  ILE   3          2HD1      ILE   3  -5.809   3.474  -7.151
   30   3HD1  ILE   3          3HD1      ILE   3  -4.263   2.844  -7.720
   31    H    PHE   4           H        PHE   4  -5.199  -0.944 -10.541
   32    HA   PHE   4           HA       PHE   4  -7.809  -1.774  -9.458
   33   1HB   PHE   4          2HB       PHE   4  -5.711  -3.250 -11.004
   34   2HB   PHE   4          1HB       PHE   4  -6.701  -4.138  -9.851
   35    HD1  PHE   4           1HD      PHE   4  -6.537  -2.657 -13.116
   36    HD2  PHE   4           2HD      PHE   4  -9.191  -4.132 -10.136
   37    HE1  PHE   4           1HE      PHE   4  -8.319  -2.847 -14.803
   38    HE2  PHE   4           2HE      PHE   4 -10.977  -4.326 -11.816
   39    HZ   PHE   4           HZ       PHE   4 -10.543  -3.683 -14.153
   40    H    VAL   5           H        VAL   5  -7.884  -2.424  -7.361
   41    HA   VAL   5           HA       VAL   5  -5.334  -2.902  -5.996
   42    HB   VAL   5           HB       VAL   5  -7.563  -1.426  -4.616
   43   1HG1  VAL   5          1HG1      VAL   5  -4.677  -1.085  -3.999
   44   2HG1  VAL   5          2HG1      VAL   5  -5.443  -2.611  -3.554
   45   3HG1  VAL   5          3HG1      VAL   5  -6.072  -1.089  -2.922
   46   1HG2  VAL   5          1HG2      VAL   5  -5.209   0.015  -5.782
   47   2HG2  VAL   5          2HG2      VAL   5  -6.747   0.666  -5.217
   48   3HG2  VAL   5          3HG2      VAL   5  -6.673  -0.230  -6.734
   49    H    LYS   6           H        LYS   6  -5.344  -4.803  -5.028
   50    HA   LYS   6           HA       LYS   6  -7.860  -6.197  -4.650
   51   1HB   LYS   6          2HB       LYS   6  -5.239  -6.983  -5.340
   52   2HB   LYS   6          1HB       LYS   6  -5.583  -7.723  -3.783
   53   1HG   LYS   6          2HG       LYS   6  -7.750  -8.547  -4.831
   54   2HG   LYS   6          1HG       LYS   6  -7.046  -8.073  -6.378
   55   1HD   LYS   6          2HD       LYS   6  -5.152  -9.542  -5.993
   56   2HD   LYS   6          1HD       LYS   6  -5.790  -9.980  -4.408
   57   1HE   LYS   6          2HE       LYS   6  -7.273 -11.431  -5.270
   58   2HE   LYS   6          1HE       LYS   6  -7.665 -10.376  -6.628
   59   1HZ   LYS   6          1HZ       LYS   6  -5.173 -11.136  -7.241
   60   2HZ   LYS   6          2HZ       LYS   6  -6.564 -11.920  -7.800
   61   3HZ   LYS   6          3HZ       LYS   6  -5.736 -12.526  -6.456
   62    H    THR   7           H        THR   7  -8.846  -6.458  -2.790
   63    HA   THR   7           HA       THR   7  -7.587  -5.410  -0.385
   64    HB   THR   7           HB       THR   7 -10.035  -5.966   0.487
   65    HG1  THR   7           1HG      THR   7 -11.528  -5.771  -1.183
   66   1HG2  THR   7          1HG2      THR   7 -10.811  -3.752  -0.460
   67   2HG2  THR   7          2HG2      THR   7  -9.229  -3.649  -1.233
   68   3HG2  THR   7          3HG2      THR   7  -9.349  -3.731   0.525
   69    H    LEU   8           H        LEU   8  -8.683  -6.709   1.662
   70    HA   LEU   8           HA       LEU   8  -7.242  -9.188   1.673
   71   1HB   LEU   8          2HB       LEU   8  -7.893  -7.381   3.579
   72   2HB   LEU   8          1HB       LEU   8  -9.104  -8.613   3.886
   73    HG   LEU   8           HG       LEU   8  -6.934 -10.184   3.751
   74   1HD1  LEU   8          1HD1      LEU   8  -5.951  -7.443   4.182
   75   2HD1  LEU   8          2HD1      LEU   8  -5.117  -8.865   3.552
   76   3HD1  LEU   8          3HD1      LEU   8  -5.324  -8.661   5.292
   77   1HD2  LEU   8          1HD2      LEU   8  -8.082  -8.651   6.059
   78   2HD2  LEU   8          2HD2      LEU   8  -6.813  -9.855   6.284
   79   3HD2  LEU   8          3HD2      LEU   8  -8.368 -10.328   5.596
   80    H    THR   9           H        THR   9 -10.450  -8.300   0.931
   81    HA   THR   9           HA       THR   9 -11.506 -10.953   1.506
   82    HB   THR   9           HB       THR   9 -13.512  -9.663   0.173
   83    HG1  THR   9           1HG      THR   9 -13.488  -7.526   0.858
   84   1HG2  THR   9          1HG2      THR   9 -14.204  -8.839   2.529
   85   2HG2  THR   9          2HG2      THR   9 -12.807  -9.768   3.069
   86   3HG2  THR   9          3HG2      THR   9 -14.115 -10.569   2.201
   87    H    GLY  10           H        GLY  10 -10.081  -9.231  -1.087
   88   1HA   GLY  10          2HA       GLY  10  -9.306 -10.424  -3.005
   89   2HA   GLY  10          1HA       GLY  10 -10.715 -11.464  -2.882
   90    H    ALA  11           H        ALA  11 -11.965  -8.575  -2.296
   91    HA   ALA  11           HA       ALA  11 -12.976  -8.300  -4.992
   92   1HB   ALA  11          1HB       ALA  11 -14.732  -7.183  -4.094
   93   2HB   ALA  11          2HB       ALA  11 -13.734  -6.333  -2.914
   94   3HB   ALA  11          3HB       ALA  11 -14.187  -8.015  -2.638
   95    H    THR  12           H        THR  12 -11.744  -7.243  -6.442
   96    HA   THR  12           HA       THR  12  -9.857  -5.247  -5.770
   97    HB   THR  12           HB       THR  12 -10.278  -4.878  -8.435
   98    HG1  THR  12           1HG      THR  12 -10.760  -7.629  -8.095
   99   1HG2  THR  12          1HG2      THR  12  -8.307  -5.902  -8.753
  100   2HG2  THR  12          2HG2      THR  12  -8.781  -7.338  -7.845
  101   3HG2  THR  12          3HG2      THR  12  -8.258  -5.886  -6.989
  102    H    ILE  13           H        ILE  13 -10.024  -3.086  -5.714
  103    HA   ILE  13           HA       ILE  13 -12.666  -1.927  -6.325
  104    HB   ILE  13           HB       ILE  13 -11.978  -0.124  -4.680
  105   1HG1  ILE  13          2HG1      ILE  13 -10.082  -2.160  -3.556
  106   2HG1  ILE  13          1HG1      ILE  13  -9.521  -1.035  -4.789
  107   1HG2  ILE  13          1HG2      ILE  13 -12.101  -2.606  -3.105
  108   2HG2  ILE  13          2HG2      ILE  13 -13.350  -2.423  -4.336
  109   3HG2  ILE  13          3HG2      ILE  13 -13.157  -1.194  -3.087
  110   1HD1  ILE  13          1HD1      ILE  13  -8.961  -0.104  -2.697
  111   2HD1  ILE  13          2HD1      ILE  13 -10.577  -0.398  -2.052
  112   3HD1  ILE  13          3HD1      ILE  13 -10.335   0.820  -3.304
  113    H    THR  14           H        THR  14 -12.798  -0.095  -7.502
  114    HA   THR  14           HA       THR  14 -10.372   0.719  -8.921
  115    HB   THR  14           HB       THR  14 -12.254   2.080 -10.225
  116    HG1  THR  14           1HG      THR  14 -14.199   1.452  -9.814
  117   1HG2  THR  14          1HG2      THR  14 -10.895  -0.289 -10.708
  118   2HG2  THR  14          2HG2      THR  14 -11.805   0.677 -11.869
  119   3HG2  THR  14          3HG2      THR  14 -12.589  -0.660 -11.029
  120    H    LEU  15           H        LEU  15  -9.374   2.581  -8.490
  121    HA   LEU  15           HA       LEU  15 -10.902   4.742  -7.237
  122   1HB   LEU  15          2HB       LEU  15  -8.866   3.137  -5.982
  123   2HB   LEU  15          1HB       LEU  15  -8.346   4.808  -6.070
  124    HG   LEU  15           HG       LEU  15 -11.054   4.747  -5.147
  125   1HD1  LEU  15          1HD1      LEU  15  -9.288   2.646  -4.057
  126   2HD1  LEU  15          2HD1      LEU  15 -11.048   2.723  -4.144
  127   3HD1  LEU  15          3HD1      LEU  15 -10.188   3.608  -2.884
  128   1HD2  LEU  15          1HD2      LEU  15  -8.638   6.088  -4.635
  129   2HD2  LEU  15          2HD2      LEU  15  -9.136   5.368  -3.105
  130   3HD2  LEU  15          3HD2      LEU  15 -10.232   6.443  -3.971
  131    H    GLU  16           H        GLU  16  -9.763   6.796  -7.265
  132    HA   GLU  16           HA       GLU  16  -8.079   7.047  -9.663
  133   1HB   GLU  16          2HB       GLU  16 -10.401   8.526  -8.728
  134   2HB   GLU  16          1HB       GLU  16  -9.037   9.592  -9.040
  135   1HG   GLU  16          2HG       GLU  16  -8.841   8.633 -11.295
  136   2HG   GLU  16          1HG       GLU  16 -10.263   7.643 -10.973
  137    H    VAL  17           H        VAL  17  -6.067   7.889  -9.449
  138    HA   VAL  17           HA       VAL  17  -5.203   8.536  -6.771
  139    HB   VAL  17           HB       VAL  17  -2.931   8.656  -7.807
  140   1HG1  VAL  17          1HG1      VAL  17  -4.675   6.255  -7.890
  141   2HG1  VAL  17          2HG1      VAL  17  -3.244   6.582  -6.915
  142   3HG1  VAL  17          3HG1      VAL  17  -3.070   6.136  -8.612
  143   1HG2  VAL  17          1HG2      VAL  17  -3.493   7.333 -10.259
  144   2HG2  VAL  17          2HG2      VAL  17  -2.704   8.888 -10.003
  145   3HG2  VAL  17          3HG2      VAL  17  -4.454   8.812 -10.199
  146    H    GLU  18           H        GLU  18  -3.704  10.370  -6.452
  147    HA   GLU  18           HA       GLU  18  -4.082  12.674  -8.164
  148   1HB   GLU  18          2HB       GLU  18  -5.832  12.326  -6.042
  149   2HB   GLU  18          1HB       GLU  18  -4.624  13.442  -5.416
  150   1HG   GLU  18          2HG       GLU  18  -5.117  15.065  -6.988
  151   2HG   GLU  18          1HG       GLU  18  -5.856  13.910  -8.095
  152    H    SER  19           H        SER  19  -2.613  14.343  -7.779
  153    HA   SER  19           HA       SER  19  -0.067  13.484  -6.900
  154   1HB   SER  19          2HB       SER  19  -1.250  15.958  -7.980
  155   2HB   SER  19          1HB       SER  19   0.123  16.221  -6.904
  156    HG   SER  19           HG       SER  19   0.703  15.910  -9.135
  157    H    SER  20           H        SER  20  -2.624  15.401  -5.455
  158    HA   SER  20           HA       SER  20  -1.091  15.929  -3.051
  159   1HB   SER  20          2HB       SER  20  -3.509  16.782  -2.336
  160   2HB   SER  20          1HB       SER  20  -2.468  17.722  -3.403
  161    HG   SER  20           HG       SER  20  -4.597  17.513  -4.223
  162    H    ASP  21           H        ASP  21  -2.294  13.138  -4.003
  163    HA   ASP  21           HA       ASP  21  -3.807  12.424  -1.638
  164   1HB   ASP  21          2HB       ASP  21  -3.566  11.391  -4.267
  165   2HB   ASP  21          1HB       ASP  21  -3.025  10.126  -3.169
  166    H    THR  22           H        THR  22  -2.712  12.143   0.213
  167    HA   THR  22           HA       THR  22  -0.090  10.810   0.093
  168    HB   THR  22           HB       THR  22  -0.172  11.799   2.609
  169    HG1  THR  22           1HG      THR  22  -1.107  13.845   2.530
  170   1HG2  THR  22          1HG2      THR  22   1.364  13.386   1.981
  171   2HG2  THR  22          2HG2      THR  22   0.566  13.706   0.441
  172   3HG2  THR  22          3HG2      THR  22   1.485  12.218   0.666
  173    H    ILE  23           H        ILE  23   0.421   9.481   2.080
  174    HA   ILE  23           HA       ILE  23  -1.388   7.361   2.300
  175    HB   ILE  23           HB       ILE  23   0.740   8.036   4.333
  176   1HG1  ILE  23          2HG1      ILE  23   1.780   8.110   2.154
  177   2HG1  ILE  23          1HG1      ILE  23   2.226   6.595   2.932
  178   1HG2  ILE  23          1HG2      ILE  23   0.720   5.767   4.910
  179   2HG2  ILE  23          2HG2      ILE  23  -0.173   5.314   3.459
  180   3HG2  ILE  23          3HG2      ILE  23  -0.982   6.195   4.754
  181   1HD1  ILE  23          1HD1      ILE  23   1.729   5.854   0.840
  182   2HD1  ILE  23          2HD1      ILE  23   0.493   7.083   0.575
  183   3HD1  ILE  23          3HD1      ILE  23   0.147   5.692   1.602
  184    H    ASP  24           H        ASP  24  -1.221  10.354   4.033
  185    HA   ASP  24           HA       ASP  24  -2.822   9.420   6.261
  186   1HB   ASP  24          2HB       ASP  24  -1.248  11.772   5.645
  187   2HB   ASP  24          1HB       ASP  24  -2.832  12.223   6.269
  188    H    ASN  25           H        ASN  25  -3.250  11.518   3.437
  189    HA   ASN  25           HA       ASN  25  -5.875  12.324   3.893
  190   1HB   ASN  25          2HB       ASN  25  -4.041  12.278   1.634
  191   2HB   ASN  25          1HB       ASN  25  -5.714  12.042   1.132
  192   1HD2  ASN  25          1HD2      ASN  25  -6.893  13.788   0.838
  193   2HD2  ASN  25          2HD2      ASN  25  -6.544  15.364   1.452
  194    H    VAL  26           H        VAL  26  -4.658   9.408   2.284
  195    HA   VAL  26           HA       VAL  26  -7.094   8.393   1.372
  196    HB   VAL  26           HB       VAL  26  -4.892   6.644   2.461
  197   1HG1  VAL  26          1HG1      VAL  26  -7.080   6.333   0.443
  198   2HG1  VAL  26          2HG1      VAL  26  -6.642   5.279   1.788
  199   3HG1  VAL  26          3HG1      VAL  26  -5.626   5.340   0.348
  200   1HG2  VAL  26          1HG2      VAL  26  -4.436   6.977  -0.267
  201   2HG2  VAL  26          2HG2      VAL  26  -3.457   7.610   1.056
  202   3HG2  VAL  26          3HG2      VAL  26  -4.725   8.606   0.343
  203    H    LYS  27           H        LYS  27  -5.549   8.245   4.523
  204    HA   LYS  27           HA       LYS  27  -7.395   6.442   5.716
  205   1HB   LYS  27          2HB       LYS  27  -5.155   8.137   6.619
  206   2HB   LYS  27          1HB       LYS  27  -6.383   7.808   7.833
  207   1HG   LYS  27          2HG       LYS  27  -6.096   5.434   7.541
  208   2HG   LYS  27          1HG       LYS  27  -4.943   5.704   6.234
  209   1HD   LYS  27          2HD       LYS  27  -3.913   7.190   8.328
  210   2HD   LYS  27          1HD       LYS  27  -4.544   5.745   9.118
  211   1HE   LYS  27          2HE       LYS  27  -2.873   4.497   8.342
  212   2HE   LYS  27          1HE       LYS  27  -3.131   5.067   6.694
  213   1HZ   LYS  27          1HZ       LYS  27  -1.019   5.679   8.379
  214   2HZ   LYS  27          2HZ       LYS  27  -1.923   7.102   8.240
  215   3HZ   LYS  27          3HZ       LYS  27  -1.338   6.333   6.852
  216    H    SER  28           H        SER  28  -7.117   9.991   5.709
  217    HA   SER  28           HA       SER  28  -9.192  10.541   7.485
  218   1HB   SER  28          2HB       SER  28  -7.536  12.020   5.695
  219   2HB   SER  28          1HB       SER  28  -9.200  12.546   5.453
  220    HG   SER  28           HG       SER  28  -7.623  12.635   7.784
  221    H    LYS  29           H        LYS  29  -9.276   9.673   4.100
  222    HA   LYS  29           HA       LYS  29 -11.996  10.382   3.628
  223   1HB   LYS  29          2HB       LYS  29  -9.864   9.720   2.053
  224   2HB   LYS  29          1HB       LYS  29 -10.836   8.261   1.949
  225   1HG   LYS  29          2HG       LYS  29 -12.528   9.299   0.825
  226   2HG   LYS  29          1HG       LYS  29 -12.178  10.878   1.535
  227   1HD   LYS  29          2HD       LYS  29 -10.015  10.811   0.188
  228   2HD   LYS  29          1HD       LYS  29 -10.738   9.465  -0.693
  229   1HE   LYS  29          2HE       LYS  29 -11.605  12.332  -0.579
  230   2HE   LYS  29          1HE       LYS  29 -11.248  11.337  -1.990
  231   1HZ   LYS  29          1HZ       LYS  29 -13.553  11.473  -1.951
  232   2HZ   LYS  29          2HZ       LYS  29 -13.649  11.298  -0.272
  233   3HZ   LYS  29          3HZ       LYS  29 -13.249   9.968  -1.238
  234    H    ILE  30           H        ILE  30 -10.936   8.047   5.648
  235    HA   ILE  30           HA       ILE  30 -12.892   6.042   4.841
  236    HB   ILE  30           HB       ILE  30 -11.130   5.956   7.288
  237   1HG1  ILE  30          2HG1      ILE  30 -10.515   4.948   4.500
  238   2HG1  ILE  30          1HG1      ILE  30  -9.755   6.335   5.269
  239   1HG2  ILE  30          1HG2      ILE  30 -11.729   3.774   7.497
  240   2HG2  ILE  30          2HG2      ILE  30 -11.916   3.545   5.758
  241   3HG2  ILE  30          3HG2      ILE  30 -13.181   4.353   6.681
  242   1HD1  ILE  30          1HD1      ILE  30  -8.589   4.001   5.230
  243   2HD1  ILE  30          2HD1      ILE  30  -9.622   3.696   6.627
  244   3HD1  ILE  30          3HD1      ILE  30  -8.481   5.041   6.648
  245    H    GLN  31           H        GLN  31 -13.596   8.797   5.829
  246    HA   GLN  31           HA       GLN  31 -14.885   8.236   8.391
  247   1HB   GLN  31          2HB       GLN  31 -13.924  10.573   7.106
  248   2HB   GLN  31          1HB       GLN  31 -15.658  10.776   7.314
  249   1HG   GLN  31          2HG       GLN  31 -15.508  10.528   9.650
  250   2HG   GLN  31          1HG       GLN  31 -13.851   9.931   9.555
  251   1HE2  GLN  31          1HE2      GLN  31 -12.863  11.449  10.779
  252   2HE2  GLN  31          2HE2      GLN  31 -12.794  13.127  10.374
  253    H    ALA  32           H        ALA  32 -15.830   6.760   6.060
  254    HA   ALA  32           HA       ALA  32 -18.574   7.830   5.908
  255   1HB   ALA  32          1HB       ALA  32 -18.808   7.077   3.729
  256   2HB   ALA  32          2HB       ALA  32 -17.481   5.925   3.873
  257   3HB   ALA  32          3HB       ALA  32 -17.140   7.650   3.754
  258    H    ALA  33           H        ALA  33 -17.033   4.668   5.285
  259    HA   ALA  33           HA       ALA  33 -19.137   3.414   6.924
  260   1HB   ALA  33          1HB       ALA  33 -18.255   1.319   5.640
  261   2HB   ALA  33          2HB       ALA  33 -17.607   2.520   4.524
  262   3HB   ALA  33          3HB       ALA  33 -19.341   2.456   4.842
  263    HA   PRO  34           HA       PRO  34 -15.558   2.738   9.673
  264   1HB   PRO  34          2HB       PRO  34 -17.025   2.122  11.862
  265   2HB   PRO  34          1HB       PRO  34 -16.761   3.789  11.338
  266   1HG   PRO  34          2HG       PRO  34 -19.133   2.015  10.887
  267   2HG   PRO  34          1HG       PRO  34 -19.090   3.721  11.370
  268   1HD   PRO  34          2HD       PRO  34 -19.567   2.940   8.821
  269   2HD   PRO  34          1HD       PRO  34 -18.723   4.452   9.214
  270    H    GLY  35           H        GLY  35 -15.132   0.840  11.272
  271   1HA   GLY  35          2HA       GLY  35 -16.088  -1.534  11.612
  272   2HA   GLY  35          1HA       GLY  35 -15.905  -1.632   9.868
  273    H    ILE  36           H        ILE  36 -13.452  -0.160   9.742
  274    HA   ILE  36           HA       ILE  36 -11.605  -1.951  11.165
  275    HB   ILE  36           HB       ILE  36 -10.209  -1.521   8.890
  276   1HG1  ILE  36          2HG1      ILE  36 -12.350  -0.426   7.948
  277   2HG1  ILE  36          1HG1      ILE  36 -11.528  -1.618   6.947
  278   1HG2  ILE  36          1HG2      ILE  36 -12.126  -3.764   9.490
  279   2HG2  ILE  36          2HG2      ILE  36 -10.425  -3.658   9.941
  280   3HG2  ILE  36          3HG2      ILE  36 -10.878  -3.828   8.246
  281   1HD1  ILE  36          1HD1      ILE  36 -13.670  -2.620   8.716
  282   2HD1  ILE  36          2HD1      ILE  36 -13.228  -3.098   7.078
  283   3HD1  ILE  36          3HD1      ILE  36 -14.157  -1.623   7.346
  284    HA   PRO  37           HA       PRO  37  -9.562   1.802  12.314
  285   1HB   PRO  37          2HB       PRO  37  -7.043   0.281  12.406
  286   2HB   PRO  37          1HB       PRO  37  -7.912   1.092  13.711
  287   1HG   PRO  37          2HG       PRO  37  -7.815  -1.587  13.527
  288   2HG   PRO  37          1HG       PRO  37  -9.247  -0.738  14.142
  289   1HD   PRO  37          2HD       PRO  37  -8.771  -1.941  11.440
  290   2HD   PRO  37          1HD       PRO  37 -10.235  -1.964  12.445
  291    HA   PRO  38           HA       PRO  38  -8.048   3.065   8.258
  292   1HB   PRO  38          2HB       PRO  38  -7.410   5.630   9.040
  293   2HB   PRO  38          1HB       PRO  38  -9.018   5.106   8.531
  294   1HG   PRO  38          2HG       PRO  38  -7.923   5.448  11.293
  295   2HG   PRO  38          1HG       PRO  38  -9.522   5.882  10.657
  296   1HD   PRO  38          2HD       PRO  38  -9.161   3.681  12.136
  297   2HD   PRO  38          1HD       PRO  38 -10.298   3.699  10.770
  298    H    ASP  39           H        ASP  39  -6.295   3.329  11.274
  299    HA   ASP  39           HA       ASP  39  -3.791   4.025  10.063
  300   1HB   ASP  39          2HB       ASP  39  -4.859   3.846  12.718
  301   2HB   ASP  39          1HB       ASP  39  -3.365   2.916  12.638
  302    H    GLN  40           H        GLN  40  -5.554   1.224  10.098
  303    HA   GLN  40           HA       GLN  40  -3.211  -0.520  10.233
  304   1HB   GLN  40          2HB       GLN  40  -5.668  -0.886  11.296
  305   2HB   GLN  40          1HB       GLN  40  -5.884  -1.690   9.747
  306   1HG   GLN  40          2HG       GLN  40  -4.409  -3.352  10.242
  307   2HG   GLN  40          1HG       GLN  40  -3.456  -2.338  11.323
  308   1HE2  GLN  40          1HE2      GLN  40  -4.848  -5.043  11.520
  309   2HE2  GLN  40          2HE2      GLN  40  -5.712  -4.950  13.013
  310    H    GLN  41           H        GLN  41  -4.456   1.338   7.937
  311    HA   GLN  41           HA       GLN  41  -4.302  -0.737   5.852
  312   1HB   GLN  41          2HB       GLN  41  -5.935   1.643   6.172
  313   2HB   GLN  41          1HB       GLN  41  -5.086   1.655   4.633
  314   1HG   GLN  41          2HG       GLN  41  -6.000  -0.575   4.139
  315   2HG   GLN  41          1HG       GLN  41  -6.898  -0.520   5.654
  316   1HE2  GLN  41          1HE2      GLN  41  -8.819  -0.757   4.412
  317   2HE2  GLN  41          2HE2      GLN  41  -9.512   0.598   3.596
  318    H    GLU  42           H        GLU  42  -2.646  -0.798   4.508
  319    HA   GLU  42           HA       GLU  42  -1.050   1.549   3.955
  320   1HB   GLU  42          2HB       GLU  42  -0.147  -0.604   5.752
  321   2HB   GLU  42          1HB       GLU  42   1.005  -0.128   4.512
  322   1HG   GLU  42          2HG       GLU  42   0.818   2.205   5.262
  323   2HG   GLU  42          1HG       GLU  42  -0.282   1.687   6.539
  324    H    LEU  43           H        LEU  43   0.491   1.231   2.209
  325    HA   LEU  43           HA       LEU  43  -0.407  -0.865   0.385
  326   1HB   LEU  43          2HB       LEU  43   1.212   1.661   0.030
  327   2HB   LEU  43          1HB       LEU  43   1.090   0.460  -1.242
  328    HG   LEU  43           HG       LEU  43  -1.553   1.010  -0.433
  329   1HD1  LEU  43          1HD1      LEU  43  -1.169   3.045   0.572
  330   2HD1  LEU  43          2HD1      LEU  43  -1.481   3.519  -1.096
  331   3HD1  LEU  43          3HD1      LEU  43   0.177   3.443  -0.498
  332   1HD2  LEU  43          1HD2      LEU  43  -1.879   1.265  -2.649
  333   2HD2  LEU  43          2HD2      LEU  43  -0.250   0.595  -2.737
  334   3HD2  LEU  43          3HD2      LEU  43  -0.494   2.339  -2.843
  335    H    ILE  44           H        ILE  44   0.957  -2.541  -0.278
  336    HA   ILE  44           HA       ILE  44   3.754  -2.475   0.596
  337    HB   ILE  44           HB       ILE  44   2.092  -4.903   1.206
  338   1HG1  ILE  44          2HG1      ILE  44   3.038  -3.263   3.476
  339   2HG1  ILE  44          1HG1      ILE  44   1.689  -2.586   2.571
  340   1HG2  ILE  44          1HG2      ILE  44   4.907  -4.147   1.415
  341   2HG2  ILE  44          2HG2      ILE  44   4.157  -5.741   1.324
  342   3HG2  ILE  44          3HG2      ILE  44   4.251  -4.900   2.870
  343   1HD1  ILE  44          1HD1      ILE  44   1.747  -4.784   4.447
  344   2HD1  ILE  44          2HD1      ILE  44   0.980  -5.226   2.921
  345   3HD1  ILE  44          3HD1      ILE  44   0.380  -3.847   3.843
  346    H    PHE  45           H        PHE  45   5.082  -3.326  -0.845
  347    HA   PHE  45           HA       PHE  45   3.977  -4.634  -3.184
  348   1HB   PHE  45          2HB       PHE  45   6.185  -2.921  -2.680
  349   2HB   PHE  45          1HB       PHE  45   6.815  -4.437  -3.318
  350    HD1  PHE  45           1HD      PHE  45   4.313  -1.781  -3.976
  351    HD2  PHE  45           2HD      PHE  45   6.729  -4.887  -5.591
  352    HE1  PHE  45           1HE      PHE  45   3.683  -1.082  -6.249
  353    HE2  PHE  45           2HE      PHE  45   6.107  -4.194  -7.868
  354    HZ   PHE  45           HZ       PHE  45   4.583  -2.287  -8.199
  355    H    ALA  46           H        ALA  46   3.933  -6.180  -0.728
  356    HA   ALA  46           HA       ALA  46   4.333  -8.350  -0.093
  357   1HB   ALA  46          1HB       ALA  46   4.089  -8.678  -2.635
  358   2HB   ALA  46          2HB       ALA  46   4.908  -9.943  -1.718
  359   3HB   ALA  46          3HB       ALA  46   5.849  -8.781  -2.654
  360    H    GLY  47           H        GLY  47   7.194  -7.483  -2.024
  361   1HA   GLY  47          2HA       GLY  47   8.882  -8.105   0.316
  362   2HA   GLY  47          1HA       GLY  47   9.409  -8.172  -1.363
  363    H    LYS  48           H        LYS  48   7.573  -5.473  -1.323
  364    HA   LYS  48           HA       LYS  48   9.809  -3.773  -0.397
  365   1HB   LYS  48          2HB       LYS  48   8.737  -4.011  -3.020
  366   2HB   LYS  48          1HB       LYS  48   8.277  -2.430  -2.404
  367   1HG   LYS  48          2HG       LYS  48  10.515  -1.781  -2.099
  368   2HG   LYS  48          1HG       LYS  48  11.102  -3.436  -2.287
  369   1HD   LYS  48          2HD       LYS  48  10.045  -3.284  -4.645
  370   2HD   LYS  48          1HD       LYS  48  10.086  -1.541  -4.371
  371   1HE   LYS  48          2HE       LYS  48  12.564  -3.058  -3.801
  372   2HE   LYS  48          1HE       LYS  48  12.104  -2.881  -5.494
  373   1HZ   LYS  48          1HZ       LYS  48  12.071  -0.504  -5.232
  374   2HZ   LYS  48          2HZ       LYS  48  13.569  -1.094  -4.715
  375   3HZ   LYS  48          3HZ       LYS  48  12.405  -0.633  -3.578
  376    H    GLN  49           H        GLN  49   9.127  -2.802   1.418
  377    HA   GLN  49           HA       GLN  49   6.322  -2.209   1.818
  378   1HB   GLN  49          2HB       GLN  49   8.498  -2.826   3.476
  379   2HB   GLN  49          1HB       GLN  49   8.069  -1.167   3.869
  380   1HG   GLN  49          2HG       GLN  49   6.048  -1.743   4.729
  381   2HG   GLN  49          1HG       GLN  49   5.869  -3.141   3.669
  382   1HE2  GLN  49          1HE2      GLN  49   8.515  -2.258   5.839
  383   2HE2  GLN  49          2HE2      GLN  49   8.415  -3.672   6.825
  384    H    LEU  50           H        LEU  50   5.366  -0.248   1.682
  385    HA   LEU  50           HA       LEU  50   6.907   1.965   0.638
  386   1HB   LEU  50          2HB       LEU  50   3.994   1.437   1.112
  387   2HB   LEU  50          1HB       LEU  50   4.549   3.066   0.790
  388    HG   LEU  50           HG       LEU  50   3.829   1.118  -1.080
  389   1HD1  LEU  50          1HD1      LEU  50   4.100   3.800  -0.995
  390   2HD1  LEU  50          2HD1      LEU  50   3.805   2.879  -2.469
  391   3HD1  LEU  50          3HD1      LEU  50   5.446   3.371  -2.050
  392   1HD2  LEU  50          1HD2      LEU  50   6.123   0.165  -0.742
  393   2HD2  LEU  50          2HD2      LEU  50   6.773   1.683  -1.359
  394   3HD2  LEU  50          3HD2      LEU  50   5.763   0.672  -2.392
  395    H    GLU  51           H        GLU  51   6.636   4.158   1.533
  396    HA   GLU  51           HA       GLU  51   6.835   4.090   4.464
  397   1HB   GLU  51          2HB       GLU  51   8.333   5.392   2.424
  398   2HB   GLU  51          1HB       GLU  51   7.550   6.639   3.383
  399   1HG   GLU  51          2HG       GLU  51   8.616   5.954   5.350
  400   2HG   GLU  51          1HG       GLU  51   9.091   4.406   4.652
  401    H    ASP  52           H        ASP  52   5.364   5.055   5.716
  402    HA   ASP  52           HA       ASP  52   2.915   5.974   4.706
  403   1HB   ASP  52          2HB       ASP  52   4.164   5.647   7.312
  404   2HB   ASP  52          1HB       ASP  52   3.137   7.076   7.257
  405    H    GLY  53           H        GLY  53   5.876   7.662   5.506
  406   1HA   GLY  53          2HA       GLY  53   4.669  10.288   5.360
  407   2HA   GLY  53          1HA       GLY  53   6.376   9.925   5.548
  408    H    ARG  54           H        ARG  54   5.024   8.227   2.918
  409    HA   ARG  54           HA       ARG  54   6.423  10.031   1.107
  410   1HB   ARG  54          2HB       ARG  54   5.507   7.192   0.965
  411   2HB   ARG  54          1HB       ARG  54   5.778   8.071  -0.534
  412   1HG   ARG  54          2HG       ARG  54   8.021   8.621   0.998
  413   2HG   ARG  54          1HG       ARG  54   7.684   6.917   1.302
  414   1HD   ARG  54          2HD       ARG  54   7.753   6.417  -1.034
  415   2HD   ARG  54          1HD       ARG  54   7.841   8.129  -1.450
  416    HE   ARG  54           HE       ARG  54  10.005   6.432  -0.632
  417   1HH1  ARG  54          1HH1      ARG  54   8.861   9.726  -0.761
  418   2HH1  ARG  54          2HH1      ARG  54  10.450  10.412  -0.708
  419   1HH2  ARG  54          1HH2      ARG  54  12.096   7.332  -0.556
  420   2HH2  ARG  54          2HH2      ARG  54  12.287   9.053  -0.593
  421    H    THR  55           H        THR  55   5.531  10.896  -0.788
  422    HA   THR  55           HA       THR  55   2.635  11.282  -0.655
  423    HB   THR  55           HB       THR  55   3.327  13.056  -2.506
  424    HG1  THR  55           1HG      THR  55   5.699  12.905  -0.978
  425   1HG2  THR  55          1HG2      THR  55   2.520  14.248  -0.806
  426   2HG2  THR  55          2HG2      THR  55   4.213  14.479  -0.368
  427   3HG2  THR  55          3HG2      THR  55   3.267  13.209   0.408
  428    H    LEU  56           H        LEU  56   1.517  11.537  -2.862
  429    HA   LEU  56           HA       LEU  56   1.691   9.102  -4.236
  430   1HB   LEU  56          2HB       LEU  56  -0.250  10.788  -4.127
  431   2HB   LEU  56          1HB       LEU  56   0.544  11.584  -5.473
  432    HG   LEU  56           HG       LEU  56   0.389   8.853  -6.159
  433   1HD1  LEU  56          1HD1      LEU  56  -2.278   9.879  -5.212
  434   2HD1  LEU  56          2HD1      LEU  56  -1.313   8.667  -4.371
  435   3HD1  LEU  56          3HD1      LEU  56  -1.945   8.328  -5.982
  436   1HD2  LEU  56          1HD2      LEU  56  -0.101   9.847  -8.079
  437   2HD2  LEU  56          2HD2      LEU  56  -0.243  11.389  -7.236
  438   3HD2  LEU  56          3HD2      LEU  56  -1.661  10.363  -7.439
  439    H    SER  57           H        SER  57   2.676  12.344  -5.331
  440    HA   SER  57           HA       SER  57   3.765  11.627  -7.779
  441   1HB   SER  57          2HB       SER  57   4.084  13.911  -5.915
  442   2HB   SER  57          1HB       SER  57   5.360  13.705  -7.116
  443    HG   SER  57           HG       SER  57   3.480  15.022  -7.746
  444    H    ASP  58           H        ASP  58   5.057  11.287  -4.585
  445    HA   ASP  58           HA       ASP  58   7.788  10.888  -5.275
  446   1HB   ASP  58          2HB       ASP  58   6.119  10.659  -2.879
  447   2HB   ASP  58          1HB       ASP  58   7.421   9.475  -2.936
  448    H    TYR  59           H        TYR  59   4.985   8.847  -5.361
  449    HA   TYR  59           HA       TYR  59   6.653   6.632  -6.347
  450   1HB   TYR  59          2HB       TYR  59   5.225   6.646  -3.877
  451   2HB   TYR  59          1HB       TYR  59   4.399   5.537  -4.966
  452    HD1  TYR  59           1HD      TYR  59   7.440   6.171  -3.053
  453    HD2  TYR  59           2HD      TYR  59   5.545   3.540  -5.806
  454    HE1  TYR  59           1HE      TYR  59   9.130   4.453  -2.564
  455    HE2  TYR  59           2HE      TYR  59   7.229   1.814  -5.325
  456    HH   TYR  59           HH       TYR  59   9.540   1.683  -4.466
  457    H    ASN  60           H        ASN  60   5.004   8.659  -7.655
  458    HA   ASN  60           HA       ASN  60   2.648   7.277  -8.617
  459   1HB   ASN  60          2HB       ASN  60   2.763   9.781  -8.155
  460   2HB   ASN  60          1HB       ASN  60   3.752   9.907  -9.608
  461   1HD2  ASN  60          1HD2      ASN  60   2.148  11.230 -10.538
  462   2HD2  ASN  60          2HD2      ASN  60   0.698  10.552 -11.188
  463    H    ILE  61           H        ILE  61   3.229   5.637  -9.878
  464    HA   ILE  61           HA       ILE  61   5.236   5.969 -11.977
  465    HB   ILE  61           HB       ILE  61   4.392   3.457 -12.402
  466   1HG1  ILE  61          2HG1      ILE  61   4.280   3.473  -9.422
  467   2HG1  ILE  61          1HG1      ILE  61   2.820   3.930 -10.296
  468   1HG2  ILE  61          1HG2      ILE  61   6.661   4.573 -11.631
  469   2HG2  ILE  61          2HG2      ILE  61   6.409   2.829 -11.576
  470   3HG2  ILE  61          3HG2      ILE  61   6.237   3.790 -10.107
  471   1HD1  ILE  61          1HD1      ILE  61   4.040   1.516 -11.346
  472   2HD1  ILE  61          2HD1      ILE  61   2.379   1.830 -10.845
  473   3HD1  ILE  61          3HD1      ILE  61   3.589   1.381  -9.645
  474    H    GLN  62           H        GLN  62   4.462   4.482 -14.024
  475    HA   GLN  62           HA       GLN  62   2.437   6.106 -15.284
  476   1HB   GLN  62          2HB       GLN  62   4.269   3.919 -16.180
  477   2HB   GLN  62          1HB       GLN  62   2.909   4.378 -17.189
  478   1HG   GLN  62          2HG       GLN  62   3.744   6.597 -17.430
  479   2HG   GLN  62          1HG       GLN  62   5.026   6.295 -16.253
  480   1HE2  GLN  62          1HE2      GLN  62   6.498   6.936 -17.947
  481   2HE2  GLN  62          2HE2      GLN  62   6.962   5.795 -19.158
  482    H    LYS  63           H        LYS  63   0.448   5.576 -15.884
  483    HA   LYS  63           HA       LYS  63  -1.266   4.000 -14.612
  484   1HB   LYS  63          2HB       LYS  63  -2.680   3.866 -16.619
  485   2HB   LYS  63          1HB       LYS  63  -1.982   5.462 -16.405
  486   1HG   LYS  63          2HG       LYS  63  -0.251   4.856 -18.104
  487   2HG   LYS  63          1HG       LYS  63  -1.141   3.357 -18.386
  488   1HD   LYS  63          2HD       LYS  63  -3.013   4.491 -19.225
  489   2HD   LYS  63          1HD       LYS  63  -2.485   6.039 -18.566
  490   1HE   LYS  63          2HE       LYS  63  -0.453   5.699 -20.168
  491   2HE   LYS  63          1HE       LYS  63  -1.534   4.578 -20.994
  492   1HZ   LYS  63          1HZ       LYS  63  -3.161   6.616 -20.800
  493   2HZ   LYS  63          2HZ       LYS  63  -2.052   6.497 -22.072
  494   3HZ   LYS  63          3HZ       LYS  63  -1.712   7.487 -20.744
  495    H    GLU  64           H        GLU  64  -2.381   1.978 -15.103
  496    HA   GLU  64           HA       GLU  64  -2.425  -0.291 -15.367
  497   1HB   GLU  64          2HB       GLU  64  -0.773   0.630 -17.599
  498   2HB   GLU  64          1HB       GLU  64  -0.321  -0.979 -17.052
  499   1HG   GLU  64          2HG       GLU  64  -2.942  -1.336 -17.130
  500   2HG   GLU  64          1HG       GLU  64  -2.827  -0.042 -18.320
  501    H    SER  65           H        SER  65  -1.711  -0.229 -13.167
  502    HA   SER  65           HA       SER  65   0.718  -1.748 -12.775
  503   1HB   SER  65          2HB       SER  65   0.476   1.102 -11.997
  504   2HB   SER  65          1HB       SER  65   1.105   0.024 -10.751
  505    HG   SER  65           HG       SER  65   2.887  -0.209 -11.851
  506    H    THR  66           H        THR  66   0.198  -3.331 -11.464
  507    HA   THR  66           HA       THR  66  -2.238  -3.376 -10.002
  508    HB   THR  66           HB       THR  66  -0.521  -5.413  -9.033
  509    HG1  THR  66           1HG      THR  66  -0.365  -5.199 -11.853
  510   1HG2  THR  66          1HG2      THR  66  -2.430  -5.755 -11.318
  511   2HG2  THR  66          2HG2      THR  66  -2.977  -5.533  -9.656
  512   3HG2  THR  66          3HG2      THR  66  -1.972  -6.921 -10.076
  513    H    LEU  67           H        LEU  67  -2.658  -2.993  -7.904
  514    HA   LEU  67           HA       LEU  67  -0.402  -2.163  -6.210
  515   1HB   LEU  67          2HB       LEU  67  -3.154  -1.051  -6.553
  516   2HB   LEU  67          1HB       LEU  67  -2.357  -0.886  -5.000
  517    HG   LEU  67           HG       LEU  67  -0.712  -0.058  -7.291
  518   1HD1  LEU  67          1HD1      LEU  67  -1.868   2.004  -7.714
  519   2HD1  LEU  67          2HD1      LEU  67  -3.118   1.594  -6.539
  520   3HD1  LEU  67          3HD1      LEU  67  -2.965   0.660  -8.029
  521   1HD2  LEU  67          1HD2      LEU  67   0.076   1.529  -5.814
  522   2HD2  LEU  67          2HD2      LEU  67  -0.369   0.212  -4.729
  523   3HD2  LEU  67          3HD2      LEU  67  -1.441   1.601  -4.916
  524    H    HIS  68           H        HIS  68  -0.243  -3.055  -4.145
  525    HA   HIS  68           HA       HIS  68  -2.359  -4.993  -3.461
  526   1HB   HIS  68          2HB       HIS  68   0.236  -5.604  -4.076
  527   2HB   HIS  68          1HB       HIS  68   0.298  -5.495  -2.319
  528    HD1  HIS  68           1HD      HIS  68  -0.397  -7.536  -1.094
  529    HD2  HIS  68           2HD      HIS  68  -1.879  -7.466  -4.974
  530    HE1  HIS  68           1HE      HIS  68  -1.538  -9.753  -1.417
  531    HE2  HIS  68           2HE      HIS  68  -2.494  -9.658  -3.747
  532    H    LEU  69           H        LEU  69  -3.388  -4.618  -1.623
  533    HA   LEU  69           HA       LEU  69  -2.006  -3.046   0.452
  534   1HB   LEU  69          2HB       LEU  69  -4.509  -2.574  -0.871
  535   2HB   LEU  69          1HB       LEU  69  -4.804  -2.856   0.835
  536    HG   LEU  69           HG       LEU  69  -2.602  -1.065   0.623
  537   1HD1  LEU  69          1HD1      LEU  69  -4.189   0.797  -0.412
  538   2HD1  LEU  69          2HD1      LEU  69  -4.781  -0.590  -1.327
  539   3HD1  LEU  69          3HD1      LEU  69  -3.075  -0.150  -1.399
  540   1HD2  LEU  69          1HD2      LEU  69  -4.058  -1.159   2.526
  541   2HD2  LEU  69          2HD2      LEU  69  -5.455  -0.737   1.537
  542   3HD2  LEU  69          3HD2      LEU  69  -4.178   0.448   1.810
  543    H    VAL  70           H        VAL  70  -1.625  -4.159   2.239
  544    HA   VAL  70           HA       VAL  70  -3.360  -6.461   2.847
  545    HB   VAL  70           HB       VAL  70  -0.570  -6.120   3.915
  546   1HG1  VAL  70          1HG1      VAL  70  -1.890  -7.719   5.107
  547   2HG1  VAL  70          2HG1      VAL  70  -0.740  -8.601   4.103
  548   3HG1  VAL  70          3HG1      VAL  70  -2.427  -8.471   3.605
  549   1HG2  VAL  70          1HG2      VAL  70  -1.324  -7.648   1.428
  550   2HG2  VAL  70          2HG2      VAL  70   0.285  -7.489   2.132
  551   3HG2  VAL  70          3HG2      VAL  70  -0.514  -6.081   1.433
  552    H    LEU  71           H        LEU  71  -3.876  -6.903   5.041
  553    HA   LEU  71           HA       LEU  71  -3.593  -4.571   6.826
  554   1HB   LEU  71          2HB       LEU  71  -5.965  -5.884   5.838
  555   2HB   LEU  71          1HB       LEU  71  -5.904  -5.973   7.588
  556    HG   LEU  71           HG       LEU  71  -5.245  -3.313   6.900
  557   1HD1  LEU  71          1HD1      LEU  71  -6.458  -4.156   4.721
  558   2HD1  LEU  71          2HD1      LEU  71  -6.784  -2.559   5.394
  559   3HD1  LEU  71          3HD1      LEU  71  -7.901  -3.889   5.700
  560   1HD2  LEU  71          1HD2      LEU  71  -7.670  -3.037   7.889
  561   2HD2  LEU  71          2HD2      LEU  71  -6.323  -3.559   8.901
  562   3HD2  LEU  71          3HD2      LEU  71  -7.462  -4.747   8.269
  563    H    ARG  72           H        ARG  72  -1.762  -5.570   7.787
  564    HA   ARG  72           HA       ARG  72  -2.056  -8.141   9.080
  565   1HB   ARG  72          2HB       ARG  72   0.184  -6.112   9.069
  566   2HB   ARG  72          1HB       ARG  72   0.265  -7.657   9.905
  567   1HG   ARG  72          2HG       ARG  72  -0.446  -8.476   7.433
  568   2HG   ARG  72          1HG       ARG  72   0.497  -7.037   7.041
  569   1HD   ARG  72          2HD       ARG  72   2.441  -7.933   7.814
  570   2HD   ARG  72          1HD       ARG  72   1.632  -8.901   9.045
  571    HE   ARG  72           HE       ARG  72   1.115  -9.770   6.352
  572   1HH1  ARG  72          1HH1      ARG  72   3.271 -10.025   9.084
  573   2HH1  ARG  72          2HH1      ARG  72   3.883 -11.575   8.616
  574   1HH2  ARG  72          1HH2      ARG  72   1.919 -11.809   5.735
  575   2HH2  ARG  72          2HH2      ARG  72   3.116 -12.589   6.713
  576    H    LEU  73           H        LEU  73  -1.911  -8.492  11.368
  577    HA   LEU  73           HA       LEU  73  -3.147  -6.352  12.913
  578   1HB   LEU  73          2HB       LEU  73  -3.111  -9.246  12.973
  579   2HB   LEU  73          1HB       LEU  73  -2.735  -8.586  14.550
  580    HG   LEU  73           HG       LEU  73  -4.975  -7.154  13.581
  581   1HD1  LEU  73          1HD1      LEU  73  -5.926  -9.911  13.693
  582   2HD1  LEU  73          2HD1      LEU  73  -4.938  -9.562  12.274
  583   3HD1  LEU  73          3HD1      LEU  73  -6.376  -8.597  12.607
  584   1HD2  LEU  73          1HD2      LEU  73  -4.316  -7.721  15.933
  585   2HD2  LEU  73          2HD2      LEU  73  -4.917  -9.353  15.639
  586   3HD2  LEU  73          3HD2      LEU  73  -6.019  -7.978  15.556
  587    H    ARG  74           H        ARG  74  -2.172  -5.311  14.624
  588    HA   ARG  74           HA       ARG  74   0.355  -6.278  15.638
  589   1HB   ARG  74          2HB       ARG  74   0.296  -4.319  13.609
  590   2HB   ARG  74          1HB       ARG  74   0.716  -3.477  15.094
  591   1HG   ARG  74          2HG       ARG  74   2.401  -5.476  15.363
  592   2HG   ARG  74          1HG       ARG  74   2.203  -5.582  13.613
  593   1HD   ARG  74          2HD       ARG  74   2.817  -3.185  13.442
  594   2HD   ARG  74          1HD       ARG  74   3.094  -3.159  15.181
  595    HE   ARG  74           HE       ARG  74   4.842  -4.886  14.745
  596   1HH1  ARG  74          1HH1      ARG  74   3.932  -2.631  12.222
  597   2HH1  ARG  74          2HH1      ARG  74   5.451  -2.760  11.402
  598   1HH2  ARG  74          1HH2      ARG  74   6.825  -5.043  13.656
  599   2HH2  ARG  74          2HH2      ARG  74   7.087  -4.124  12.211
  600    H    GLY  75           H        GLY  75  -2.514  -5.466  16.467
  601   1HA   GLY  75          2HA       GLY  75  -2.143  -3.317  18.345
  602   2HA   GLY  75          1HA       GLY  75  -3.565  -4.332  18.191
  603    H    GLY  76           H        GLY  76  -0.247  -5.296  18.881
  604   1HA   GLY  76          2HA       GLY  76   0.678  -5.923  20.981
  605   2HA   GLY  76          1HA       GLY  76  -0.931  -5.843  21.681
  606    H    HIS  77           H        HIS  77   1.049  -7.941  21.979
  607    HA   HIS  77           HA       HIS  77   0.379 -10.164  20.358
  608   1HB   HIS  77          2HB       HIS  77   2.129  -9.600  22.615
  609   2HB   HIS  77          1HB       HIS  77   1.416 -11.206  22.714
  610    HD1  HIS  77           1HD      HIS  77   1.689 -10.578  19.240
  611    HD2  HIS  77           2HD      HIS  77   4.406 -11.584  22.219
  612    HE1  HIS  77           1HE      HIS  77   3.675 -11.533  18.040
  613    HE2  HIS  77           2HE      HIS  77   5.334 -12.076  19.855
  614    H    HIS  78           H        HIS  78  -0.793 -12.025  20.836
  615    HA   HIS  78           HA       HIS  78  -3.033 -11.575  22.660
  616   1HB   HIS  78          2HB       HIS  78  -4.053 -13.528  21.485
  617   2HB   HIS  78          1HB       HIS  78  -3.665 -12.189  20.413
  618    HD1  HIS  78           1HD      HIS  78  -1.557 -12.529  18.840
  619    HD2  HIS  78           2HD      HIS  78  -2.828 -15.918  20.882
  620    HE1  HIS  78           1HE      HIS  78  -0.467 -14.470  17.668
  621    HE2  HIS  78           2HE      HIS  78  -1.311 -16.515  18.874
  622    H    HIS  79           H        HIS  79  -3.580 -12.957  24.311
  623    HA   HIS  79           HA       HIS  79  -1.409 -14.540  25.386
  624   1HB   HIS  79          2HB       HIS  79  -3.576 -13.081  26.460
  625   2HB   HIS  79          1HB       HIS  79  -3.837 -14.761  26.913
  626    HD1  HIS  79           1HD      HIS  79  -2.101 -11.801  27.973
  627    HD2  HIS  79           2HD      HIS  79  -1.401 -15.890  28.218
  628    HE1  HIS  79           1HE      HIS  79  -0.396 -12.083  29.800
  629    HE2  HIS  79           2HE      HIS  79   0.069 -14.559  29.877
  630    H    HIS  80           H        HIS  80  -1.203 -16.674  25.223
  631    HA   HIS  80           HA       HIS  80  -3.127 -18.209  23.741
  632   1HB   HIS  80          2HB       HIS  80  -0.380 -18.418  24.344
  633   2HB   HIS  80          1HB       HIS  80  -1.140 -19.843  25.044
  634    HD1  HIS  80           1HD      HIS  80  -3.257 -20.416  22.885
  635    HD2  HIS  80           2HD      HIS  80   0.705 -19.456  22.079
  636    HE1  HIS  80           1HE      HIS  80  -2.791 -21.351  20.598
  637    HE2  HIS  80           2HE      HIS  80  -0.356 -20.857  20.182
  638    H    HIS  81           H        HIS  81  -4.985 -18.724  24.742
  639    HA   HIS  81           HA       HIS  81  -5.110 -19.254  27.570
  640   1HB   HIS  81          2HB       HIS  81  -6.962 -18.605  25.499
  641   2HB   HIS  81          1HB       HIS  81  -7.503 -20.096  26.266
  642    HD1  HIS  81           1HD      HIS  81  -6.027 -16.882  27.695
  643    HD2  HIS  81           2HD      HIS  81  -9.291 -19.411  28.164
  644    HE1  HIS  81           1HE      HIS  81  -7.345 -15.929  29.611
  645    HE2  HIS  81           2HE      HIS  81  -9.280 -17.514  29.921
  646    H    HIS  82           H        HIS  82  -4.505 -21.115  28.418
  647    HA   HIS  82           HA       HIS  82  -4.449 -23.542  26.820
  648   1HB   HIS  82          2HB       HIS  82  -2.928 -22.551  28.969
  649   2HB   HIS  82          1HB       HIS  82  -3.764 -23.970  29.592
  650    HD1  HIS  82           1HD      HIS  82  -2.437 -26.027  29.309
  651    HD2  HIS  82           2HD      HIS  82  -1.698 -23.296  26.265
  652    HE1  HIS  82           1HE      HIS  82  -0.721 -27.117  27.828
  653    HE2  HIS  82           2HE      HIS  82  -0.260 -25.431  26.014
  Start of MODEL    2
    1   1H    MET   1          1HT       MET   1  -6.820   7.025 -15.561
    2   2H    MET   1          2HT       MET   1  -5.219   7.565 -15.267
    3   3H    MET   1          3HT       MET   1  -6.503   8.698 -15.372
    4    HA   MET   1           HA       MET   1  -5.492   7.518 -13.133
    5   1HB   MET   1          2HB       MET   1  -7.243   8.832 -12.049
    6   2HB   MET   1          1HB       MET   1  -6.524   9.734 -13.375
    7   1HG   MET   1          2HG       MET   1  -8.827   8.193 -14.224
    8   2HG   MET   1          1HG       MET   1  -9.214   9.325 -12.930
    9   1HE   MET   1          1HE       MET   1  -9.891  10.483 -16.886
   10   2HE   MET   1          2HE       MET   1 -10.869  10.286 -15.434
   11   3HE   MET   1          3HE       MET   1  -9.957   8.919 -16.076
   12    H    GLN   2           H        GLN   2  -5.847   5.177 -13.937
   13    HA   GLN   2           HA       GLN   2  -8.093   4.108 -12.438
   14   1HB   GLN   2          2HB       GLN   2  -7.816   3.925 -15.388
   15   2HB   GLN   2          1HB       GLN   2  -8.290   2.452 -14.553
   16   1HG   GLN   2          2HG       GLN   2  -9.745   4.949 -13.891
   17   2HG   GLN   2          1HG       GLN   2 -10.057   4.194 -15.453
   18   1HE2  GLN   2          1HE2      GLN   2 -11.099   4.363 -12.371
   19   2HE2  GLN   2          2HE2      GLN   2 -11.886   2.830 -12.231
   20    H    ILE   3           H        ILE   3  -7.128   2.805 -11.057
   21    HA   ILE   3           HA       ILE   3  -4.972   1.022 -12.025
   22    HB   ILE   3           HB       ILE   3  -4.097   1.028  -9.686
   23   1HG1  ILE   3          2HG1      ILE   3  -5.390   3.605  -9.079
   24   2HG1  ILE   3          1HG1      ILE   3  -6.467   2.212  -9.025
   25   1HG2  ILE   3          1HG2      ILE   3  -3.666   2.819 -11.744
   26   2HG2  ILE   3          2HG2      ILE   3  -2.629   2.567 -10.339
   27   3HG2  ILE   3          3HG2      ILE   3  -3.843   3.845 -10.322
   28   1HD1  ILE   3          1HD1      ILE   3  -5.304   2.908  -6.868
   29   2HD1  ILE   3          2HD1      ILE   3  -3.844   2.226  -7.582
   30   3HD1  ILE   3          3HD1      ILE   3  -5.253   1.201  -7.307
   31    H    PHE   4           H        PHE   4  -4.731  -0.981 -10.717
   32    HA   PHE   4           HA       PHE   4  -7.338  -1.961  -9.731
   33   1HB   PHE   4          2HB       PHE   4  -5.222  -3.425 -11.326
   34   2HB   PHE   4          1HB       PHE   4  -6.563  -4.232 -10.521
   35    HD1  PHE   4           1HD      PHE   4  -5.961  -1.431 -12.916
   36    HD2  PHE   4           2HD      PHE   4  -8.435  -4.692 -11.753
   37    HE1  PHE   4           1HE      PHE   4  -7.364  -1.071 -14.906
   38    HE2  PHE   4           2HE      PHE   4  -9.843  -4.337 -13.739
   39    HZ   PHE   4           HZ       PHE   4  -9.308  -2.526 -15.318
   40    H    VAL   5           H        VAL   5  -7.338  -2.905  -7.713
   41    HA   VAL   5           HA       VAL   5  -4.735  -3.601  -6.540
   42    HB   VAL   5           HB       VAL   5  -6.869  -2.157  -4.981
   43   1HG1  VAL   5          1HG1      VAL   5  -5.253  -1.967  -3.267
   44   2HG1  VAL   5          2HG1      VAL   5  -3.954  -2.506  -4.331
   45   3HG1  VAL   5          3HG1      VAL   5  -5.199  -3.643  -3.814
   46   1HG2  VAL   5          1HG2      VAL   5  -5.101  -1.042  -6.910
   47   2HG2  VAL   5          2HG2      VAL   5  -4.577  -0.523  -5.309
   48   3HG2  VAL   5          3HG2      VAL   5  -6.230  -0.215  -5.837
   49    H    LYS   6           H        LYS   6  -4.724  -5.537  -5.613
   50    HA   LYS   6           HA       LYS   6  -7.234  -6.961  -5.274
   51   1HB   LYS   6          2HB       LYS   6  -5.292  -8.045  -6.414
   52   2HB   LYS   6          1HB       LYS   6  -4.423  -7.993  -4.885
   53   1HG   LYS   6          2HG       LYS   6  -5.257 -10.150  -4.949
   54   2HG   LYS   6          1HG       LYS   6  -6.429  -9.296  -3.942
   55   1HD   LYS   6          2HD       LYS   6  -8.063  -9.362  -5.549
   56   2HD   LYS   6          1HD       LYS   6  -6.902  -9.408  -6.877
   57   1HE   LYS   6          2HE       LYS   6  -6.589 -11.754  -5.277
   58   2HE   LYS   6          1HE       LYS   6  -8.291 -11.562  -5.691
   59   1HZ   LYS   6          1HZ       LYS   6  -6.514 -11.098  -7.901
   60   2HZ   LYS   6          2HZ       LYS   6  -7.900 -12.062  -7.810
   61   3HZ   LYS   6          3HZ       LYS   6  -6.413 -12.670  -7.284
   62    H    THR   7           H        THR   7  -8.186  -7.344  -3.416
   63    HA   THR   7           HA       THR   7  -6.948  -6.346  -0.978
   64    HB   THR   7           HB       THR   7  -9.292  -6.980  -0.045
   65    HG1  THR   7           1HG      THR   7 -10.054  -6.740  -2.740
   66   1HG2  THR   7          1HG2      THR   7 -10.332  -4.947  -1.213
   67   2HG2  THR   7          2HG2      THR   7  -8.741  -4.745  -1.949
   68   3HG2  THR   7          3HG2      THR   7  -8.913  -4.705  -0.193
   69    H    LEU   8           H        LEU   8  -7.916  -7.794   1.025
   70    HA   LEU   8           HA       LEU   8  -6.367 -10.202   0.885
   71   1HB   LEU   8          2HB       LEU   8  -6.814  -8.587   2.897
   72   2HB   LEU   8          1HB       LEU   8  -8.249  -9.567   3.127
   73    HG   LEU   8           HG       LEU   8  -6.155 -11.409   2.862
   74   1HD1  LEU   8          1HD1      LEU   8  -5.061  -8.946   3.702
   75   2HD1  LEU   8          2HD1      LEU   8  -4.283 -10.527   3.652
   76   3HD1  LEU   8          3HD1      LEU   8  -5.117 -10.001   5.115
   77   1HD2  LEU   8          1HD2      LEU   8  -8.007 -11.808   4.281
   78   2HD2  LEU   8          2HD2      LEU   8  -7.690 -10.353   5.224
   79   3HD2  LEU   8          3HD2      LEU   8  -6.590 -11.727   5.326
   80    H    THR   9           H        THR   9  -9.646  -9.380   0.323
   81    HA   THR   9           HA       THR   9 -10.612 -12.093   0.749
   82    HB   THR   9           HB       THR   9 -12.190  -9.837  -0.467
   83    HG1  THR   9           1HG      THR   9 -11.313 -10.136   2.153
   84   1HG2  THR   9          1HG2      THR   9 -13.097 -12.051   1.351
   85   2HG2  THR   9          2HG2      THR   9 -13.191 -12.113  -0.409
   86   3HG2  THR   9          3HG2      THR   9 -14.098 -10.889   0.480
   87    H    GLY  10           H        GLY  10  -9.260 -10.249  -1.794
   88   1HA   GLY  10          2HA       GLY  10  -8.597 -11.400  -3.801
   89   2HA   GLY  10          1HA       GLY  10 -10.087 -12.325  -3.704
   90    H    ALA  11           H        ALA  11 -11.070  -9.392  -2.871
   91    HA   ALA  11           HA       ALA  11 -12.213  -8.851  -5.452
   92   1HB   ALA  11          1HB       ALA  11 -12.479  -7.441  -2.807
   93   2HB   ALA  11          2HB       ALA  11 -13.608  -8.586  -3.534
   94   3HB   ALA  11          3HB       ALA  11 -13.367  -6.998  -4.264
   95    H    THR  12           H        THR  12 -11.200  -7.745  -6.982
   96    HA   THR  12           HA       THR  12  -9.061  -5.920  -6.384
   97    HB   THR  12           HB       THR  12 -10.283  -6.198  -9.106
   98    HG1  THR  12           1HG      THR  12  -9.646  -8.192  -9.306
   99   1HG2  THR  12          1HG2      THR  12  -7.427  -5.987  -8.185
  100   2HG2  THR  12          2HG2      THR  12  -8.392  -4.696  -8.901
  101   3HG2  THR  12          3HG2      THR  12  -7.967  -6.115  -9.859
  102    H    ILE  13           H        ILE  13  -9.144  -3.727  -6.359
  103    HA   ILE  13           HA       ILE  13 -11.769  -2.499  -6.905
  104    HB   ILE  13           HB       ILE  13 -11.114  -0.747  -5.258
  105   1HG1  ILE  13          2HG1      ILE  13  -8.981  -2.652  -4.325
  106   2HG1  ILE  13          1HG1      ILE  13  -8.621  -1.396  -5.505
  107   1HG2  ILE  13          1HG2      ILE  13 -12.447  -2.923  -4.786
  108   2HG2  ILE  13          2HG2      ILE  13 -11.893  -1.936  -3.433
  109   3HG2  ILE  13          3HG2      ILE  13 -11.012  -3.397  -3.877
  110   1HD1  ILE  13          1HD1      ILE  13  -9.884  -0.780  -2.860
  111   2HD1  ILE  13          2HD1      ILE  13  -9.072   0.319  -3.975
  112   3HD1  ILE  13          3HD1      ILE  13  -8.137  -0.876  -3.076
  113    H    THR  14           H        THR  14 -11.840  -0.454  -7.829
  114    HA   THR  14           HA       THR  14  -9.444   0.285  -9.366
  115    HB   THR  14           HB       THR  14 -10.955   1.362 -10.951
  116    HG1  THR  14           1HG      THR  14 -13.310   0.435 -10.107
  117   1HG2  THR  14          1HG2      THR  14 -12.018  -0.527 -11.904
  118   2HG2  THR  14          2HG2      THR  14 -12.072  -1.362 -10.351
  119   3HG2  THR  14          3HG2      THR  14 -10.526  -1.096 -11.155
  120    H    LEU  15           H        LEU  15  -8.463   2.202  -9.004
  121    HA   LEU  15           HA       LEU  15  -9.960   4.306  -7.619
  122   1HB   LEU  15          2HB       LEU  15  -8.725   2.970  -5.952
  123   2HB   LEU  15          1HB       LEU  15  -7.232   3.317  -6.797
  124    HG   LEU  15           HG       LEU  15  -8.585   5.774  -6.116
  125   1HD1  LEU  15          1HD1      LEU  15  -7.686   4.496  -3.631
  126   2HD1  LEU  15          2HD1      LEU  15  -9.222   3.913  -4.271
  127   3HD1  LEU  15          3HD1      LEU  15  -9.008   5.628  -3.918
  128   1HD2  LEU  15          1HD2      LEU  15  -6.370   6.097  -6.459
  129   2HD2  LEU  15          2HD2      LEU  15  -5.929   4.507  -5.837
  130   3HD2  LEU  15          3HD2      LEU  15  -6.310   5.817  -4.720
  131    H    GLU  16           H        GLU  16  -8.857   6.403  -7.659
  132    HA   GLU  16           HA       GLU  16  -7.216   6.738 -10.078
  133   1HB   GLU  16          2HB       GLU  16  -9.146   8.742  -8.901
  134   2HB   GLU  16          1HB       GLU  16  -8.239   8.921 -10.395
  135   1HG   GLU  16          2HG       GLU  16 -10.061   8.158 -11.407
  136   2HG   GLU  16          1HG       GLU  16  -9.589   6.573 -10.796
  137    H    VAL  17           H        VAL  17  -5.346   7.987  -9.939
  138    HA   VAL  17           HA       VAL  17  -4.531   8.599  -7.235
  139    HB   VAL  17           HB       VAL  17  -2.305   9.141  -8.342
  140   1HG1  VAL  17          1HG1      VAL  17  -2.494   6.414  -9.081
  141   2HG1  VAL  17          2HG1      VAL  17  -3.565   6.670  -7.703
  142   3HG1  VAL  17          3HG1      VAL  17  -1.860   7.104  -7.585
  143   1HG2  VAL  17          1HG2      VAL  17  -1.963   8.851 -10.558
  144   2HG2  VAL  17          2HG2      VAL  17  -3.685   9.216 -10.647
  145   3HG2  VAL  17          3HG2      VAL  17  -3.135   7.540 -10.681
  146    H    GLU  18           H        GLU  18  -3.263  10.539  -6.800
  147    HA   GLU  18           HA       GLU  18  -3.873  12.946  -8.280
  148   1HB   GLU  18          2HB       GLU  18  -5.302  12.161  -5.850
  149   2HB   GLU  18          1HB       GLU  18  -4.567  13.753  -5.743
  150   1HG   GLU  18          2HG       GLU  18  -5.888  14.629  -7.395
  151   2HG   GLU  18          1HG       GLU  18  -6.162  13.062  -8.155
  152    H    SER  19           H        SER  19  -2.639  14.763  -7.561
  153    HA   SER  19           HA       SER  19  -0.041  14.035  -6.615
  154   1HB   SER  19          2HB       SER  19  -1.381  16.592  -7.428
  155   2HB   SER  19          1HB       SER  19   0.145  16.666  -6.550
  156    HG   SER  19           HG       SER  19   1.107  16.181  -8.342
  157    H    SER  20           H        SER  20  -2.884  15.575  -5.279
  158    HA   SER  20           HA       SER  20  -1.571  16.177  -2.761
  159   1HB   SER  20          2HB       SER  20  -3.531  17.356  -2.170
  160   2HB   SER  20          1HB       SER  20  -3.317  17.646  -3.896
  161    HG   SER  20           HG       SER  20  -5.427  17.095  -3.634
  162    H    ASP  21           H        ASP  21  -2.692  13.366  -3.958
  163    HA   ASP  21           HA       ASP  21  -4.210  12.481  -1.669
  164   1HB   ASP  21          2HB       ASP  21  -4.286  11.672  -4.203
  165   2HB   ASP  21          1HB       ASP  21  -3.074  10.539  -3.615
  166    H    THR  22           H        THR  22  -3.220  12.068   0.204
  167    HA   THR  22           HA       THR  22  -0.602  10.727   0.098
  168    HB   THR  22           HB       THR  22  -0.030  11.800   2.211
  169    HG1  THR  22           1HG      THR  22  -2.630  12.869   1.995
  170   1HG2  THR  22          1HG2      THR  22  -0.319  14.287   1.415
  171   2HG2  THR  22          2HG2      THR  22  -0.776  13.502  -0.096
  172   3HG2  THR  22          3HG2      THR  22   0.805  13.186   0.619
  173    H    ILE  23           H        ILE  23  -0.137   9.359   1.993
  174    HA   ILE  23           HA       ILE  23  -2.117   7.425   2.362
  175    HB   ILE  23           HB       ILE  23   0.210   7.922   4.220
  176   1HG1  ILE  23          2HG1      ILE  23   1.019   7.867   1.916
  177   2HG1  ILE  23          1HG1      ILE  23   1.476   6.387   2.748
  178   1HG2  ILE  23          1HG2      ILE  23  -0.272   5.968   5.175
  179   2HG2  ILE  23          2HG2      ILE  23  -0.520   5.176   3.621
  180   3HG2  ILE  23          3HG2      ILE  23  -1.836   6.078   4.370
  181   1HD1  ILE  23          1HD1      ILE  23  -0.484   6.799   0.555
  182   2HD1  ILE  23          2HD1      ILE  23  -0.730   5.470   1.688
  183   3HD1  ILE  23          3HD1      ILE  23   0.759   5.562   0.747
  184    H    ASP  24           H        ASP  24  -1.564  10.419   3.991
  185    HA   ASP  24           HA       ASP  24  -3.070   9.722   6.364
  186   1HB   ASP  24          2HB       ASP  24  -1.421  11.959   5.460
  187   2HB   ASP  24          1HB       ASP  24  -2.874  12.487   6.303
  188    H    ASN  25           H        ASN  25  -3.535  11.761   3.497
  189    HA   ASN  25           HA       ASN  25  -6.039  12.802   4.114
  190   1HB   ASN  25          2HB       ASN  25  -4.747  12.167   1.466
  191   2HB   ASN  25          1HB       ASN  25  -6.335  12.921   1.573
  192   1HD2  ASN  25          1HD2      ASN  25  -6.074  14.969   1.031
  193   2HD2  ASN  25          2HD2      ASN  25  -4.881  16.041   1.675
  194    H    VAL  26           H        VAL  26  -5.253   9.806   2.361
  195    HA   VAL  26           HA       VAL  26  -7.874   9.024   1.789
  196    HB   VAL  26           HB       VAL  26  -6.974   6.692   1.704
  197   1HG1  VAL  26          1HG1      VAL  26  -6.146   8.997   0.156
  198   2HG1  VAL  26          2HG1      VAL  26  -6.645   7.394  -0.384
  199   3HG1  VAL  26          3HG1      VAL  26  -4.968   7.688   0.072
  200   1HG2  VAL  26          1HG2      VAL  26  -4.539   6.393   1.951
  201   2HG2  VAL  26          2HG2      VAL  26  -5.326   6.828   3.466
  202   3HG2  VAL  26          3HG2      VAL  26  -4.419   8.042   2.568
  203    H    LYS  27           H        LYS  27  -5.868   8.390   4.649
  204    HA   LYS  27           HA       LYS  27  -7.717   6.690   5.939
  205   1HB   LYS  27          2HB       LYS  27  -5.240   8.111   6.702
  206   2HB   LYS  27          1HB       LYS  27  -6.327   7.700   8.023
  207   1HG   LYS  27          2HG       LYS  27  -4.785   5.916   7.815
  208   2HG   LYS  27          1HG       LYS  27  -6.322   5.345   7.165
  209   1HD   LYS  27          2HD       LYS  27  -4.645   6.598   5.157
  210   2HD   LYS  27          1HD       LYS  27  -3.875   5.204   5.911
  211   1HE   LYS  27          2HE       LYS  27  -5.956   3.907   5.449
  212   2HE   LYS  27          1HE       LYS  27  -6.559   5.296   4.545
  213   1HZ   LYS  27          1HZ       LYS  27  -5.420   4.631   2.785
  214   2HZ   LYS  27          2HZ       LYS  27  -4.917   3.251   3.625
  215   3HZ   LYS  27          3HZ       LYS  27  -3.967   4.648   3.651
  216    H    SER  28           H        SER  28  -7.075  10.173   6.335
  217    HA   SER  28           HA       SER  28  -8.868  10.673   8.396
  218   1HB   SER  28          2HB       SER  28  -7.708  12.338   6.199
  219   2HB   SER  28          1HB       SER  28  -9.017  13.013   7.170
  220    HG   SER  28           HG       SER  28  -7.764  12.971   8.929
  221    H    LYS  29           H        LYS  29  -9.462  10.149   5.013
  222    HA   LYS  29           HA       LYS  29 -12.031  11.282   4.842
  223   1HB   LYS  29          2HB       LYS  29 -10.265  10.006   3.105
  224   2HB   LYS  29          1HB       LYS  29 -11.707   9.001   3.088
  225   1HG   LYS  29          2HG       LYS  29 -12.307  11.842   2.905
  226   2HG   LYS  29          1HG       LYS  29 -11.286  11.262   1.587
  227   1HD   LYS  29          2HD       LYS  29 -13.276  10.717   0.661
  228   2HD   LYS  29          1HD       LYS  29 -13.109   9.282   1.673
  229   1HE   LYS  29          2HE       LYS  29 -15.057   9.819   2.602
  230   2HE   LYS  29          1HE       LYS  29 -14.247  11.199   3.340
  231   1HZ   LYS  29          1HZ       LYS  29 -14.757  12.221   0.972
  232   2HZ   LYS  29          2HZ       LYS  29 -15.882  12.282   2.234
  233   3HZ   LYS  29          3HZ       LYS  29 -16.026  11.104   1.030
  234    H    ILE  30           H        ILE  30 -11.242   8.808   6.858
  235    HA   ILE  30           HA       ILE  30 -13.551   7.134   6.375
  236    HB   ILE  30           HB       ILE  30 -12.934   5.971   8.430
  237   1HG1  ILE  30          2HG1      ILE  30 -10.757   8.056   8.685
  238   2HG1  ILE  30          1HG1      ILE  30 -12.162   7.901   9.730
  239   1HG2  ILE  30          1HG2      ILE  30 -10.272   6.227   7.218
  240   2HG2  ILE  30          2HG2      ILE  30 -11.588   5.888   6.095
  241   3HG2  ILE  30          3HG2      ILE  30 -11.286   4.805   7.454
  242   1HD1  ILE  30          1HD1      ILE  30 -10.167   6.978  10.767
  243   2HD1  ILE  30          2HD1      ILE  30  -9.976   5.859   9.418
  244   3HD1  ILE  30          3HD1      ILE  30 -11.377   5.728  10.481
  245    H    GLN  31           H        GLN  31 -13.965  10.019   6.872
  246    HA   GLN  31           HA       GLN  31 -15.145  10.155   9.519
  247   1HB   GLN  31          2HB       GLN  31 -13.918  12.061   8.346
  248   2HB   GLN  31          1HB       GLN  31 -15.354  12.233   7.346
  249   1HG   GLN  31          2HG       GLN  31 -16.669  12.915   9.144
  250   2HG   GLN  31          1HG       GLN  31 -15.526  12.299  10.334
  251   1HE2  GLN  31          1HE2      GLN  31 -16.587  14.994   8.647
  252   2HE2  GLN  31          2HE2      GLN  31 -15.303  16.076   9.053
  253    H    ALA  32           H        ALA  32 -16.206   8.398   7.231
  254    HA   ALA  32           HA       ALA  32 -18.975   9.408   7.269
  255   1HB   ALA  32          1HB       ALA  32 -17.327   8.299   5.122
  256   2HB   ALA  32          2HB       ALA  32 -18.758   9.329   5.043
  257   3HB   ALA  32          3HB       ALA  32 -18.936   7.585   5.237
  258    H    ALA  33           H        ALA  33 -17.432   6.239   6.655
  259    HA   ALA  33           HA       ALA  33 -19.361   5.050   8.545
  260   1HB   ALA  33          1HB       ALA  33 -19.913   3.651   6.916
  261   2HB   ALA  33          2HB       ALA  33 -18.255   3.049   6.877
  262   3HB   ALA  33          3HB       ALA  33 -18.728   4.400   5.846
  263    HA   PRO  34           HA       PRO  34 -15.496   4.276  10.782
  264   1HB   PRO  34          2HB       PRO  34 -16.662   3.463  13.089
  265   2HB   PRO  34          1HB       PRO  34 -16.515   5.168  12.643
  266   1HG   PRO  34          2HG       PRO  34 -18.870   3.337  12.379
  267   2HG   PRO  34          1HG       PRO  34 -18.818   5.017  12.944
  268   1HD   PRO  34          2HD       PRO  34 -19.580   4.340  10.432
  269   2HD   PRO  34          1HD       PRO  34 -18.755   5.867  10.804
  270    H    GLY  35           H        GLY  35 -14.988   2.306  12.385
  271   1HA   GLY  35          2HA       GLY  35 -15.487  -0.089  12.725
  272   2HA   GLY  35          1HA       GLY  35 -15.897  -0.154  11.017
  273    H    ILE  36           H        ILE  36 -13.743   1.359  10.012
  274    HA   ILE  36           HA       ILE  36 -11.532  -0.520  10.507
  275    HB   ILE  36           HB       ILE  36 -11.998   1.125   8.025
  276   1HG1  ILE  36          2HG1      ILE  36 -13.818  -0.471   8.326
  277   2HG1  ILE  36          1HG1      ILE  36 -12.777  -0.978   6.999
  278   1HG2  ILE  36          1HG2      ILE  36 -10.025  -0.996   8.791
  279   2HG2  ILE  36          2HG2      ILE  36  -9.733   0.590   8.078
  280   3HG2  ILE  36          3HG2      ILE  36 -10.436  -0.699   7.104
  281   1HD1  ILE  36          1HD1      ILE  36 -13.460  -2.350   9.442
  282   2HD1  ILE  36          2HD1      ILE  36 -11.714  -2.233   9.228
  283   3HD1  ILE  36          3HD1      ILE  36 -12.708  -2.966   7.971
  284    HA   PRO  37           HA       PRO  37  -9.366   3.092  12.040
  285   1HB   PRO  37          2HB       PRO  37  -6.994   1.390  12.159
  286   2HB   PRO  37          1HB       PRO  37  -7.899   2.132  13.479
  287   1HG   PRO  37          2HG       PRO  37  -7.890  -0.540  13.020
  288   2HG   PRO  37          1HG       PRO  37  -9.269   0.312  13.739
  289   1HD   PRO  37          2HD       PRO  37  -8.878  -0.633  10.924
  290   2HD   PRO  37          1HD       PRO  37 -10.338  -0.670  11.937
  291    HA   PRO  38           HA       PRO  38  -7.015   4.386   8.526
  292   1HB   PRO  38          2HB       PRO  38  -5.424   6.276   9.553
  293   2HB   PRO  38          1HB       PRO  38  -7.180   6.466   9.533
  294   1HG   PRO  38          2HG       PRO  38  -5.378   5.683  11.783
  295   2HG   PRO  38          1HG       PRO  38  -6.800   6.741  11.802
  296   1HD   PRO  38          2HD       PRO  38  -6.788   4.081  12.578
  297   2HD   PRO  38          1HD       PRO  38  -8.229   4.991  12.087
  298    H    ASP  39           H        ASP  39  -5.068   3.519  11.346
  299    HA   ASP  39           HA       ASP  39  -2.634   3.230   9.852
  300   1HB   ASP  39          2HB       ASP  39  -1.792   2.233  12.011
  301   2HB   ASP  39          1HB       ASP  39  -2.415   3.875  12.143
  302    H    GLN  40           H        GLN  40  -5.393   1.343  10.265
  303    HA   GLN  40           HA       GLN  40  -4.058  -1.210  10.164
  304   1HB   GLN  40          2HB       GLN  40  -6.355  -0.622  11.253
  305   2HB   GLN  40          1HB       GLN  40  -6.980  -0.833   9.622
  306   1HG   GLN  40          2HG       GLN  40  -5.470  -3.075   9.926
  307   2HG   GLN  40          1HG       GLN  40  -6.070  -2.818  11.563
  308   1HE2  GLN  40          1HE2      GLN  40  -8.334  -2.786  11.910
  309   2HE2  GLN  40          2HE2      GLN  40  -9.410  -3.569  10.810
  310    H    GLN  41           H        GLN  41  -4.375   1.103   7.902
  311    HA   GLN  41           HA       GLN  41  -4.664  -0.900   5.757
  312   1HB   GLN  41          2HB       GLN  41  -6.127   1.510   6.172
  313   2HB   GLN  41          1HB       GLN  41  -5.139   1.718   4.735
  314   1HG   GLN  41          2HG       GLN  41  -7.378   0.865   4.228
  315   2HG   GLN  41          1HG       GLN  41  -6.102  -0.242   3.728
  316   1HE2  GLN  41          1HE2      GLN  41  -9.030  -0.021   5.214
  317   2HE2  GLN  41          2HE2      GLN  41  -9.017  -1.509   6.093
  318    H    GLU  42           H        GLU  42  -3.029  -1.127   4.426
  319    HA   GLU  42           HA       GLU  42  -1.174   1.029   3.907
  320   1HB   GLU  42          2HB       GLU  42  -0.595  -1.011   5.842
  321   2HB   GLU  42          1HB       GLU  42   0.515  -1.157   4.486
  322   1HG   GLU  42          2HG       GLU  42   0.417   1.567   5.034
  323   2HG   GLU  42          1HG       GLU  42   0.450   0.783   6.614
  324    H    LEU  43           H        LEU  43   0.277   0.599   2.128
  325    HA   LEU  43           HA       LEU  43  -0.727  -1.516   0.352
  326   1HB   LEU  43          2HB       LEU  43   0.684   1.101  -0.156
  327   2HB   LEU  43          1HB       LEU  43   0.640  -0.155  -1.378
  328    HG   LEU  43           HG       LEU  43  -2.025   0.189  -0.557
  329   1HD1  LEU  43          1HD1      LEU  43  -0.607   2.578  -0.043
  330   2HD1  LEU  43          2HD1      LEU  43  -2.348   2.301   0.011
  331   3HD1  LEU  43          3HD1      LEU  43  -1.586   2.840  -1.485
  332   1HD2  LEU  43          1HD2      LEU  43  -2.415   0.663  -2.805
  333   2HD2  LEU  43          2HD2      LEU  43  -0.951  -0.319  -2.828
  334   3HD2  LEU  43          3HD2      LEU  43  -0.841   1.431  -3.012
  335    H    ILE  44           H        ILE  44   0.747  -3.007  -0.545
  336    HA   ILE  44           HA       ILE  44   3.547  -2.783   0.244
  337    HB   ILE  44           HB       ILE  44   3.697  -5.044   1.134
  338   1HG1  ILE  44          2HG1      ILE  44   0.910  -5.520   1.711
  339   2HG1  ILE  44          1HG1      ILE  44   1.149  -5.370  -0.026
  340   1HG2  ILE  44          1HG2      ILE  44   1.667  -4.241   2.983
  341   2HG2  ILE  44          2HG2      ILE  44   2.564  -2.832   2.427
  342   3HG2  ILE  44          3HG2      ILE  44   3.421  -4.187   3.150
  343   1HD1  ILE  44          1HD1      ILE  44   2.105  -7.441   1.851
  344   2HD1  ILE  44          2HD1      ILE  44   3.166  -7.016   0.509
  345   3HD1  ILE  44          3HD1      ILE  44   1.528  -7.590   0.191
  346    H    PHE  45           H        PHE  45   4.920  -3.525  -1.245
  347    HA   PHE  45           HA       PHE  45   3.839  -4.754  -3.642
  348   1HB   PHE  45          2HB       PHE  45   5.834  -2.917  -3.224
  349   2HB   PHE  45          1HB       PHE  45   6.747  -4.405  -3.463
  350    HD1  PHE  45           1HD      PHE  45   4.864  -1.787  -5.028
  351    HD2  PHE  45           2HD      PHE  45   6.372  -5.729  -5.563
  352    HE1  PHE  45           1HE      PHE  45   4.585  -1.560  -7.462
  353    HE2  PHE  45           2HE      PHE  45   6.099  -5.509  -7.997
  354    HZ   PHE  45           HZ       PHE  45   5.204  -3.423  -8.950
  355    H    ALA  46           H        ALA  46   3.954  -6.236  -1.071
  356    HA   ALA  46           HA       ALA  46   4.334  -8.394  -0.425
  357   1HB   ALA  46          1HB       ALA  46   5.706  -8.791  -3.086
  358   2HB   ALA  46          2HB       ALA  46   3.969  -8.952  -2.837
  359   3HB   ALA  46          3HB       ALA  46   5.084 -10.037  -2.006
  360    H    GLY  47           H        GLY  47   7.113  -7.325  -2.379
  361   1HA   GLY  47          2HA       GLY  47   8.881  -7.963  -0.107
  362   2HA   GLY  47          1HA       GLY  47   9.377  -7.924  -1.796
  363    H    LYS  48           H        LYS  48   7.398  -5.346  -1.649
  364    HA   LYS  48           HA       LYS  48   9.513  -3.552  -0.618
  365   1HB   LYS  48          2HB       LYS  48   8.915  -3.732  -3.249
  366   2HB   LYS  48          1HB       LYS  48   7.739  -2.521  -2.757
  367   1HG   LYS  48          2HG       LYS  48  10.655  -2.275  -2.090
  368   2HG   LYS  48          1HG       LYS  48   9.979  -1.686  -3.609
  369   1HD   LYS  48          2HD       LYS  48   9.208   0.154  -2.619
  370   2HD   LYS  48          1HD       LYS  48   8.371  -0.800  -1.393
  371   1HE   LYS  48          2HE       LYS  48   9.863   0.557  -0.192
  372   2HE   LYS  48          1HE       LYS  48  10.638  -1.025  -0.253
  373   1HZ   LYS  48          1HZ       LYS  48  12.249   0.657  -0.735
  374   2HZ   LYS  48          2HZ       LYS  48  11.277   1.330  -1.944
  375   3HZ   LYS  48          3HZ       LYS  48  11.951  -0.205  -2.160
  376    H    GLN  49           H        GLN  49   8.746  -2.704   1.214
  377    HA   GLN  49           HA       GLN  49   5.904  -2.349   1.628
  378   1HB   GLN  49          2HB       GLN  49   7.567  -3.209   3.355
  379   2HB   GLN  49          1HB       GLN  49   8.126  -1.548   3.500
  380   1HG   GLN  49          2HG       GLN  49   6.243  -0.856   4.566
  381   2HG   GLN  49          1HG       GLN  49   5.220  -2.052   3.773
  382   1HE2  GLN  49          1HE2      GLN  49   4.678  -1.859   6.273
  383   2HE2  GLN  49          2HE2      GLN  49   5.373  -3.120   7.227
  384    H    LEU  50           H        LEU  50   4.788  -0.468   1.521
  385    HA   LEU  50           HA       LEU  50   6.110   1.868   0.511
  386   1HB   LEU  50          2HB       LEU  50   3.391   0.876   0.760
  387   2HB   LEU  50          1HB       LEU  50   3.502   2.579   1.165
  388    HG   LEU  50           HG       LEU  50   2.953   2.059  -1.240
  389   1HD1  LEU  50          1HD1      LEU  50   3.737   4.245  -0.616
  390   2HD1  LEU  50          2HD1      LEU  50   4.508   3.768  -2.128
  391   3HD1  LEU  50          3HD1      LEU  50   5.411   3.686  -0.617
  392   1HD2  LEU  50          1HD2      LEU  50   4.730   0.174  -1.246
  393   2HD2  LEU  50          2HD2      LEU  50   5.866   1.479  -1.586
  394   3HD2  LEU  50          3HD2      LEU  50   4.525   1.168  -2.687
  395    H    GLU  51           H        GLU  51   6.066   3.939   1.440
  396    HA   GLU  51           HA       GLU  51   6.201   3.905   4.375
  397   1HB   GLU  51          2HB       GLU  51   7.934   4.949   2.523
  398   2HB   GLU  51          1HB       GLU  51   6.998   6.365   2.980
  399   1HG   GLU  51          2HG       GLU  51   8.245   4.571   5.026
  400   2HG   GLU  51          1HG       GLU  51   9.131   5.897   4.275
  401    H    ASP  52           H        ASP  52   4.529   4.658   5.483
  402    HA   ASP  52           HA       ASP  52   2.239   5.760   4.353
  403   1HB   ASP  52          2HB       ASP  52   3.291   5.676   7.168
  404   2HB   ASP  52          1HB       ASP  52   1.775   6.492   6.792
  405    H    GLY  53           H        GLY  53   5.180   7.307   5.375
  406   1HA   GLY  53          2HA       GLY  53   4.019   9.958   5.478
  407   2HA   GLY  53          1HA       GLY  53   5.721   9.558   5.643
  408    H    ARG  54           H        ARG  54   4.536   8.059   2.864
  409    HA   ARG  54           HA       ARG  54   5.768  10.145   1.235
  410   1HB   ARG  54          2HB       ARG  54   5.008   7.289   0.636
  411   2HB   ARG  54          1HB       ARG  54   5.564   8.405  -0.601
  412   1HG   ARG  54          2HG       ARG  54   7.478   8.596   1.398
  413   2HG   ARG  54          1HG       ARG  54   7.073   6.883   1.330
  414   1HD   ARG  54          2HD       ARG  54   7.787   6.654  -0.844
  415   2HD   ARG  54          1HD       ARG  54   7.574   8.364  -1.208
  416    HE   ARG  54           HE       ARG  54   9.576   8.764   0.183
  417   1HH1  ARG  54          1HH1      ARG  54   9.087   5.584  -1.196
  418   2HH1  ARG  54          2HH1      ARG  54  10.758   5.152  -1.086
  419   1HH2  ARG  54          1HH2      ARG  54  11.769   8.183   0.317
  420   2HH2  ARG  54          2HH2      ARG  54  12.278   6.621  -0.229
  421    H    THR  55           H        THR  55   4.778  10.680  -0.867
  422    HA   THR  55           HA       THR  55   1.863  10.924  -0.580
  423    HB   THR  55           HB       THR  55   3.569  12.555  -2.451
  424    HG1  THR  55           1HG      THR  55   2.945  13.201   0.238
  425   1HG2  THR  55          1HG2      THR  55   0.791  12.635  -1.575
  426   2HG2  THR  55          2HG2      THR  55   1.558  13.345  -2.994
  427   3HG2  THR  55          3HG2      THR  55   1.627  14.182  -1.445
  428    H    LEU  56           H        LEU  56   0.644  10.990  -2.759
  429    HA   LEU  56           HA       LEU  56   1.135   8.549  -4.079
  430   1HB   LEU  56          2HB       LEU  56  -0.905  10.505  -4.085
  431   2HB   LEU  56          1HB       LEU  56  -0.421  10.268  -5.754
  432    HG   LEU  56           HG       LEU  56  -0.859   7.887  -5.594
  433   1HD1  LEU  56          1HD1      LEU  56  -1.333   8.520  -2.704
  434   2HD1  LEU  56          2HD1      LEU  56  -0.289   7.289  -3.415
  435   3HD1  LEU  56          3HD1      LEU  56  -2.042   7.096  -3.465
  436   1HD2  LEU  56          1HD2      LEU  56  -2.934   8.398  -6.176
  437   2HD2  LEU  56          2HD2      LEU  56  -2.827   9.927  -5.309
  438   3HD2  LEU  56          3HD2      LEU  56  -3.381   8.478  -4.474
  439    H    SER  57           H        SER  57   1.546  11.887  -5.213
  440    HA   SER  57           HA       SER  57   2.636  11.334  -7.712
  441   1HB   SER  57          2HB       SER  57   2.727  13.645  -5.834
  442   2HB   SER  57          1HB       SER  57   3.909  13.624  -7.142
  443    HG   SER  57           HG       SER  57   2.342  14.361  -8.324
  444    H    ASP  58           H        ASP  58   4.100  11.386  -4.540
  445    HA   ASP  58           HA       ASP  58   6.808  11.255  -5.412
  446   1HB   ASP  58          2HB       ASP  58   5.352  11.006  -2.842
  447   2HB   ASP  58          1HB       ASP  58   6.908  10.186  -2.926
  448    H    TYR  59           H        TYR  59   4.261   8.936  -5.028
  449    HA   TYR  59           HA       TYR  59   6.137   6.789  -5.780
  450   1HB   TYR  59          2HB       TYR  59   5.098   6.831  -3.328
  451   2HB   TYR  59          1HB       TYR  59   3.728   6.100  -4.161
  452    HD1  TYR  59           1HD      TYR  59   7.252   5.667  -3.217
  453    HD2  TYR  59           2HD      TYR  59   3.862   3.866  -5.052
  454    HE1  TYR  59           1HE      TYR  59   8.386   3.485  -3.158
  455    HE2  TYR  59           2HE      TYR  59   4.985   1.679  -4.994
  456    HH   TYR  59           HH       TYR  59   7.886   1.106  -4.852
  457    H    ASN  60           H        ASN  60   4.545   8.447  -7.472
  458    HA   ASN  60           HA       ASN  60   2.608   6.505  -8.563
  459   1HB   ASN  60          2HB       ASN  60   1.651   8.715  -7.817
  460   2HB   ASN  60          1HB       ASN  60   2.637   9.495  -9.047
  461   1HD2  ASN  60          1HD2      ASN  60   0.927  10.261 -10.223
  462   2HD2  ASN  60          2HD2      ASN  60  -0.138   9.238 -11.120
  463    H    ILE  61           H        ILE  61   3.591   5.434 -10.077
  464    HA   ILE  61           HA       ILE  61   5.494   6.734 -11.903
  465    HB   ILE  61           HB       ILE  61   6.085   4.403 -12.570
  466   1HG1  ILE  61          2HG1      ILE  61   5.169   2.834 -10.491
  467   2HG1  ILE  61          1HG1      ILE  61   3.760   3.814 -10.879
  468   1HG2  ILE  61          1HG2      ILE  61   6.284   5.132  -9.659
  469   2HG2  ILE  61          2HG2      ILE  61   7.452   5.464 -10.939
  470   3HG2  ILE  61          3HG2      ILE  61   7.180   3.807 -10.400
  471   1HD1  ILE  61          1HD1      ILE  61   4.431   1.490 -12.097
  472   2HD1  ILE  61          2HD1      ILE  61   5.104   2.680 -13.210
  473   3HD1  ILE  61          3HD1      ILE  61   3.393   2.733 -12.789
  474    H    GLN  62           H        GLN  62   5.192   4.830 -14.042
  475    HA   GLN  62           HA       GLN  62   3.101   6.067 -15.482
  476   1HB   GLN  62          2HB       GLN  62   5.297   4.417 -16.076
  477   2HB   GLN  62          1HB       GLN  62   3.883   3.542 -16.649
  478   1HG   GLN  62          2HG       GLN  62   3.650   6.276 -17.417
  479   2HG   GLN  62          1HG       GLN  62   5.242   5.681 -17.883
  480   1HE2  GLN  62          1HE2      GLN  62   5.009   3.272 -18.742
  481   2HE2  GLN  62          2HE2      GLN  62   3.841   3.101 -20.004
  482    H    LYS  63           H        LYS  63   1.033   5.741 -15.265
  483    HA   LYS  63           HA       LYS  63  -0.351   4.026 -13.732
  484   1HB   LYS  63          2HB       LYS  63  -2.242   4.238 -15.440
  485   2HB   LYS  63          1HB       LYS  63  -1.579   5.727 -14.779
  486   1HG   LYS  63          2HG       LYS  63  -0.890   6.435 -16.776
  487   2HG   LYS  63          1HG       LYS  63  -0.224   4.859 -17.203
  488   1HD   LYS  63          2HD       LYS  63  -2.660   4.141 -17.557
  489   2HD   LYS  63          1HD       LYS  63  -3.033   5.866 -17.538
  490   1HE   LYS  63          2HE       LYS  63  -0.937   4.686 -19.341
  491   2HE   LYS  63          1HE       LYS  63  -2.633   4.794 -19.811
  492   1HZ   LYS  63          1HZ       LYS  63  -2.446   7.235 -19.303
  493   2HZ   LYS  63          2HZ       LYS  63  -1.583   6.704 -20.657
  494   3HZ   LYS  63          3HZ       LYS  63  -0.771   7.015 -19.205
  495    H    GLU  64           H        GLU  64  -1.859   2.233 -14.343
  496    HA   GLU  64           HA       GLU  64  -2.329   0.156 -15.202
  497   1HB   GLU  64          2HB       GLU  64  -1.203   1.383 -17.369
  498   2HB   GLU  64          1HB       GLU  64  -0.099   0.037 -17.125
  499   1HG   GLU  64          2HG       GLU  64  -2.812  -0.873 -16.927
  500   2HG   GLU  64          1HG       GLU  64  -2.580   0.023 -18.427
  501    H    SER  65           H        SER  65  -1.594  -0.516 -13.157
  502    HA   SER  65           HA       SER  65   0.452  -2.482 -13.241
  503   1HB   SER  65          2HB       SER  65   1.196   0.169 -12.350
  504   2HB   SER  65          1HB       SER  65   1.365  -0.993 -11.035
  505    HG   SER  65           HG       SER  65   2.922  -0.648 -13.196
  506    H    THR  66           H        THR  66  -0.041  -4.032 -11.822
  507    HA   THR  66           HA       THR  66  -2.402  -3.812 -10.256
  508    HB   THR  66           HB       THR  66  -0.458  -6.024  -9.789
  509    HG1  THR  66           1HG      THR  66  -2.013  -5.829 -12.146
  510   1HG2  THR  66          1HG2      THR  66  -2.327  -7.400  -9.631
  511   2HG2  THR  66          2HG2      THR  66  -3.365  -6.239 -10.459
  512   3HG2  THR  66          3HG2      THR  66  -2.807  -5.912  -8.817
  513    H    LEU  67           H        LEU  67  -2.705  -3.612  -8.092
  514    HA   LEU  67           HA       LEU  67  -0.313  -3.066  -6.472
  515   1HB   LEU  67          2HB       LEU  67  -2.927  -1.619  -6.642
  516   2HB   LEU  67          1HB       LEU  67  -2.003  -1.581  -5.152
  517    HG   LEU  67           HG       LEU  67  -0.150  -0.935  -7.136
  518   1HD1  LEU  67          1HD1      LEU  67  -1.062   0.479  -8.652
  519   2HD1  LEU  67          2HD1      LEU  67  -2.365   0.975  -7.574
  520   3HD1  LEU  67          3HD1      LEU  67  -2.458  -0.572  -8.414
  521   1HD2  LEU  67          1HD2      LEU  67  -0.527  -0.055  -4.767
  522   2HD2  LEU  67          2HD2      LEU  67  -1.647   1.090  -5.506
  523   3HD2  LEU  67          3HD2      LEU  67   0.052   1.087  -5.979
  524    H    HIS  68           H        HIS  68  -0.295  -3.848  -4.342
  525    HA   HIS  68           HA       HIS  68  -2.506  -5.697  -3.695
  526   1HB   HIS  68          2HB       HIS  68   0.428  -6.043  -3.688
  527   2HB   HIS  68          1HB       HIS  68  -0.420  -6.721  -2.303
  528    HD1  HIS  68           1HD      HIS  68   0.638  -8.948  -3.600
  529    HD2  HIS  68           2HD      HIS  68  -2.691  -7.100  -5.266
  530    HE1  HIS  68           1HE      HIS  68  -0.387 -10.661  -5.133
  531    HE2  HIS  68           2HE      HIS  68  -2.378  -9.507  -6.159
  532    H    LEU  69           H        LEU  69  -3.596  -5.225  -1.878
  533    HA   LEU  69           HA       LEU  69  -2.220  -3.619   0.186
  534   1HB   LEU  69          2HB       LEU  69  -4.109  -2.495  -1.046
  535   2HB   LEU  69          1HB       LEU  69  -5.188  -3.691  -0.355
  536    HG   LEU  69           HG       LEU  69  -3.749  -2.558   1.802
  537   1HD1  LEU  69          1HD1      LEU  69  -4.178  -0.214   1.616
  538   2HD1  LEU  69          2HD1      LEU  69  -4.969  -0.433   0.054
  539   3HD1  LEU  69          3HD1      LEU  69  -3.239  -0.719   0.214
  540   1HD2  LEU  69          1HD2      LEU  69  -6.418  -3.131   1.027
  541   2HD2  LEU  69          2HD2      LEU  69  -6.370  -1.471   1.619
  542   3HD2  LEU  69          3HD2      LEU  69  -5.791  -2.787   2.639
  543    H    VAL  70           H        VAL  70  -1.853  -4.692   2.008
  544    HA   VAL  70           HA       VAL  70  -3.612  -6.954   2.680
  545    HB   VAL  70           HB       VAL  70  -0.734  -6.583   3.510
  546   1HG1  VAL  70          1HG1      VAL  70  -1.187  -8.173   4.993
  547   2HG1  VAL  70          2HG1      VAL  70  -1.478  -9.270   3.645
  548   3HG1  VAL  70          3HG1      VAL  70  -2.818  -8.378   4.361
  549   1HG2  VAL  70          1HG2      VAL  70  -1.489  -7.094   0.985
  550   2HG2  VAL  70          2HG2      VAL  70  -1.498  -8.732   1.636
  551   3HG2  VAL  70          3HG2      VAL  70  -0.030  -7.762   1.714
  552    H    LEU  71           H        LEU  71  -4.241  -7.297   4.838
  553    HA   LEU  71           HA       LEU  71  -3.930  -4.938   6.578
  554   1HB   LEU  71          2HB       LEU  71  -6.069  -5.633   7.613
  555   2HB   LEU  71          1HB       LEU  71  -6.219  -5.195   5.922
  556    HG   LEU  71           HG       LEU  71  -5.759  -8.049   6.260
  557   1HD1  LEU  71          1HD1      LEU  71  -7.803  -6.733   7.931
  558   2HD1  LEU  71          2HD1      LEU  71  -6.977  -8.277   8.145
  559   3HD1  LEU  71          3HD1      LEU  71  -8.329  -8.149   7.021
  560   1HD2  LEU  71          1HD2      LEU  71  -7.739  -8.163   4.810
  561   2HD2  LEU  71          2HD2      LEU  71  -6.522  -7.049   4.188
  562   3HD2  LEU  71          3HD2      LEU  71  -7.962  -6.425   4.994
  563    H    ARG  72           H        ARG  72  -1.862  -6.150   7.130
  564    HA   ARG  72           HA       ARG  72  -2.151  -8.492   8.790
  565   1HB   ARG  72          2HB       ARG  72  -0.008  -7.126   7.458
  566   2HB   ARG  72          1HB       ARG  72   0.415  -7.347   9.151
  567   1HG   ARG  72          2HG       ARG  72   0.334  -9.661   9.000
  568   2HG   ARG  72          1HG       ARG  72  -0.656  -9.628   7.540
  569   1HD   ARG  72          2HD       ARG  72   1.295  -8.625   6.342
  570   2HD   ARG  72          1HD       ARG  72   2.258  -8.903   7.792
  571    HE   ARG  72           HE       ARG  72   1.329 -11.350   7.336
  572   1HH1  ARG  72          1HH1      ARG  72   2.716  -9.025   5.132
  573   2HH1  ARG  72          2HH1      ARG  72   3.346 -10.230   4.061
  574   1HH2  ARG  72          1HH2      ARG  72   2.164 -12.936   5.929
  575   2HH2  ARG  72          2HH2      ARG  72   3.034 -12.449   4.513
  576    H    LEU  73           H        LEU  73  -1.884  -8.621  11.019
  577    HA   LEU  73           HA       LEU  73  -2.454  -6.150  12.456
  578   1HB   LEU  73          2HB       LEU  73  -2.338  -8.975  13.511
  579   2HB   LEU  73          1HB       LEU  73  -2.999  -7.575  14.335
  580    HG   LEU  73           HG       LEU  73  -4.179  -8.357  11.710
  581   1HD1  LEU  73          1HD1      LEU  73  -5.744  -9.645  13.595
  582   2HD1  LEU  73          2HD1      LEU  73  -4.094 -10.080  14.036
  583   3HD1  LEU  73          3HD1      LEU  73  -4.686 -10.406  12.408
  584   1HD2  LEU  73          1HD2      LEU  73  -5.517  -7.403  14.227
  585   2HD2  LEU  73          2HD2      LEU  73  -6.126  -7.352  12.572
  586   3HD2  LEU  73          3HD2      LEU  73  -4.798  -6.297  13.055
  587    H    ARG  74           H        ARG  74  -1.195  -5.310  14.094
  588    HA   ARG  74           HA       ARG  74   1.311  -6.618  14.772
  589   1HB   ARG  74          2HB       ARG  74   1.680  -5.111  12.754
  590   2HB   ARG  74          1HB       ARG  74   1.334  -3.757  13.820
  591   1HG   ARG  74          2HG       ARG  74   3.212  -4.830  15.296
  592   2HG   ARG  74          1HG       ARG  74   3.685  -5.582  13.774
  593   1HD   ARG  74          2HD       ARG  74   4.923  -3.645  13.738
  594   2HD   ARG  74          1HD       ARG  74   3.490  -3.163  12.834
  595    HE   ARG  74           HE       ARG  74   2.710  -2.257  15.085
  596   1HH1  ARG  74          1HH1      ARG  74   6.070  -2.369  14.114
  597   2HH1  ARG  74          2HH1      ARG  74   6.526  -1.034  15.114
  598   1HH2  ARG  74          1HH2      ARG  74   3.321  -0.500  16.393
  599   2HH2  ARG  74          2HH2      ARG  74   4.971   0.025  16.406
  600    H    GLY  75           H        GLY  75  -1.335  -5.537  15.940
  601   1HA   GLY  75          2HA       GLY  75  -0.505  -3.557  17.846
  602   2HA   GLY  75          1HA       GLY  75  -2.057  -4.377  17.801
  603    H    GLY  76           H        GLY  76  -1.347  -4.051  20.198
  604   1HA   GLY  76          2HA       GLY  76   0.542  -5.703  21.424
  605   2HA   GLY  76          1HA       GLY  76  -0.923  -5.111  22.199
  606    H    HIS  77           H        HIS  77   0.461  -7.746  22.364
  607    HA   HIS  77           HA       HIS  77  -1.446  -9.566  21.129
  608   1HB   HIS  77          2HB       HIS  77   1.115  -9.939  22.663
  609   2HB   HIS  77          1HB       HIS  77   0.043 -11.297  22.340
  610    HD1  HIS  77           1HD      HIS  77   2.115 -12.245  20.948
  611    HD2  HIS  77           2HD      HIS  77   0.287  -8.852  19.397
  612    HE1  HIS  77           1HE      HIS  77   2.892 -12.095  18.563
  613    HE2  HIS  77           2HE      HIS  77   1.851  -9.980  17.674
  614    H    HIS  78           H        HIS  78  -2.556 -11.209  22.389
  615    HA   HIS  78           HA       HIS  78  -3.386 -10.153  24.998
  616   1HB   HIS  78          2HB       HIS  78  -5.347 -11.717  24.718
  617   2HB   HIS  78          1HB       HIS  78  -5.264 -10.406  23.550
  618    HD1  HIS  78           1HD      HIS  78  -6.214 -11.330  21.460
  619    HD2  HIS  78           2HD      HIS  78  -3.613 -14.004  23.292
  620    HE1  HIS  78           1HE      HIS  78  -6.067 -13.298  19.903
  621    HE2  HIS  78           2HE      HIS  78  -4.507 -14.916  21.042
  622    H    HIS  79           H        HIS  79  -3.702 -11.620  26.770
  623    HA   HIS  79           HA       HIS  79  -1.580 -13.550  26.950
  624   1HB   HIS  79          2HB       HIS  79  -3.379 -12.165  28.795
  625   2HB   HIS  79          1HB       HIS  79  -3.085 -13.840  29.247
  626    HD1  HIS  79           1HD      HIS  79  -1.977 -11.015  30.531
  627    HD2  HIS  79           2HD      HIS  79   0.125 -13.932  28.447
  628    HE1  HIS  79           1HE      HIS  79   0.417 -10.763  31.256
  629    HE2  HIS  79           2HE      HIS  79   1.659 -12.591  30.045
  630    H    HIS  80           H        HIS  80  -1.705 -15.732  26.915
  631    HA   HIS  80           HA       HIS  80  -4.293 -16.881  26.166
  632   1HB   HIS  80          2HB       HIS  80  -2.269 -17.224  24.706
  633   2HB   HIS  80          1HB       HIS  80  -1.575 -18.190  26.005
  634    HD1  HIS  80           1HD      HIS  80  -5.186 -18.641  25.636
  635    HD2  HIS  80           2HD      HIS  80  -1.733 -20.339  24.068
  636    HE1  HIS  80           1HE      HIS  80  -5.915 -20.815  24.604
  637    HE2  HIS  80           2HE      HIS  80  -3.823 -21.789  23.593
  638    H    HIS  81           H        HIS  81  -5.447 -17.865  27.662
  639    HA   HIS  81           HA       HIS  81  -4.124 -18.882  30.084
  640   1HB   HIS  81          2HB       HIS  81  -6.134 -17.228  30.071
  641   2HB   HIS  81          1HB       HIS  81  -7.098 -18.662  29.734
  642    HD1  HIS  81           1HD      HIS  81  -7.627 -17.221  32.327
  643    HD2  HIS  81           2HD      HIS  81  -4.813 -20.257  31.967
  644    HE1  HIS  81           1HE      HIS  81  -7.309 -18.124  34.653
  645    HE2  HIS  81           2HE      HIS  81  -5.534 -19.894  34.424
  646    H    HIS  82           H        HIS  82  -3.670 -20.988  30.101
  647    HA   HIS  82           HA       HIS  82  -4.967 -22.857  28.348
  648   1HB   HIS  82          2HB       HIS  82  -2.943 -23.213  30.567
  649   2HB   HIS  82          1HB       HIS  82  -3.558 -24.549  29.600
  650    HD1  HIS  82           1HD      HIS  82  -0.776 -24.532  29.191
  651    HD2  HIS  82           2HD      HIS  82  -3.105 -21.714  27.216
  652    HE1  HIS  82           1HE      HIS  82   0.626 -23.737  27.262
  653    HE2  HIS  82           2HE      HIS  82  -0.793 -22.013  26.093
  Start of MODEL    3
    1   1H    MET   1          1HT       MET   1  -7.504   8.580 -16.268
    2   2H    MET   1          2HT       MET   1  -6.381   8.694 -14.976
    3   3H    MET   1          3HT       MET   1  -7.994   8.203 -14.671
    4    HA   MET   1           HA       MET   1  -6.931   6.543 -16.617
    5   1HB   MET   1          2HB       MET   1  -5.095   5.547 -15.235
    6   2HB   MET   1          1HB       MET   1  -4.731   7.152 -15.847
    7   1HG   MET   1          2HG       MET   1  -4.711   8.088 -13.787
    8   2HG   MET   1          1HG       MET   1  -5.943   6.999 -13.154
    9   1HE   MET   1          1HE       MET   1  -3.107   8.333 -12.501
   10   2HE   MET   1          2HE       MET   1  -1.760   7.377 -13.119
   11   3HE   MET   1          3HE       MET   1  -2.284   7.185 -11.448
   12    H    GLN   2           H        GLN   2  -6.395   4.341 -14.944
   13    HA   GLN   2           HA       GLN   2  -8.430   4.086 -12.944
   14   1HB   GLN   2          2HB       GLN   2  -9.103   3.448 -15.641
   15   2HB   GLN   2          1HB       GLN   2  -9.011   1.945 -14.732
   16   1HG   GLN   2          2HG       GLN   2 -10.655   4.347 -13.973
   17   2HG   GLN   2          1HG       GLN   2 -11.263   2.893 -14.763
   18   1HE2  GLN   2          1HE2      GLN   2  -9.796   4.136 -11.807
   19   2HE2  GLN   2          2HE2      GLN   2 -10.376   2.883 -10.770
   20    H    ILE   3           H        ILE   3  -7.647   2.774 -11.457
   21    HA   ILE   3           HA       ILE   3  -5.727   0.696 -12.280
   22    HB   ILE   3           HB       ILE   3  -4.702   0.981  -9.993
   23   1HG1  ILE   3          2HG1      ILE   3  -5.219   3.624  -9.421
   24   2HG1  ILE   3          1HG1      ILE   3  -6.808   3.023  -9.876
   25   1HG2  ILE   3          1HG2      ILE   3  -4.209   2.280 -12.370
   26   2HG2  ILE   3          2HG2      ILE   3  -3.129   2.222 -10.974
   27   3HG2  ILE   3          3HG2      ILE   3  -4.228   3.585 -11.186
   28   1HD1  ILE   3          1HD1      ILE   3  -7.032   2.138  -7.862
   29   2HD1  ILE   3          2HD1      ILE   3  -5.424   2.725  -7.431
   30   3HD1  ILE   3          3HD1      ILE   3  -5.615   1.126  -8.147
   31    H    PHE   4           H        PHE   4  -5.499  -1.053 -10.618
   32    HA   PHE   4           HA       PHE   4  -8.162  -1.713  -9.534
   33   1HB   PHE   4          2HB       PHE   4  -5.992  -3.520 -10.590
   34   2HB   PHE   4          1HB       PHE   4  -7.410  -4.110  -9.729
   35    HD1  PHE   4           1HD      PHE   4  -6.582  -1.848 -12.567
   36    HD2  PHE   4           2HD      PHE   4  -9.164  -4.847 -11.022
   37    HE1  PHE   4           1HE      PHE   4  -7.818  -1.861 -14.696
   38    HE2  PHE   4           2HE      PHE   4 -10.404  -4.877 -13.144
   39    HZ   PHE   4           HZ       PHE   4  -9.741  -3.379 -14.985
   40    H    VAL   5           H        VAL   5  -8.292  -2.812  -7.504
   41    HA   VAL   5           HA       VAL   5  -5.840  -2.830  -5.908
   42    HB   VAL   5           HB       VAL   5  -8.358  -1.489  -4.916
   43   1HG1  VAL   5          1HG1      VAL   5  -5.604  -1.338  -3.733
   44   2HG1  VAL   5          2HG1      VAL   5  -6.745  -2.611  -3.292
   45   3HG1  VAL   5          3HG1      VAL   5  -7.148  -0.921  -2.991
   46   1HG2  VAL   5          1HG2      VAL   5  -6.787  -0.401  -6.808
   47   2HG2  VAL   5          2HG2      VAL   5  -5.899   0.087  -5.368
   48   3HG2  VAL   5          3HG2      VAL   5  -7.589   0.549  -5.560
   49    H    LYS   6           H        LYS   6  -5.709  -4.828  -5.134
   50    HA   LYS   6           HA       LYS   6  -8.126  -6.369  -4.663
   51   1HB   LYS   6          2HB       LYS   6  -5.209  -7.069  -4.781
   52   2HB   LYS   6          1HB       LYS   6  -6.395  -8.202  -4.148
   53   1HG   LYS   6          2HG       LYS   6  -7.611  -7.669  -6.410
   54   2HG   LYS   6          1HG       LYS   6  -5.978  -7.244  -6.920
   55   1HD   LYS   6          2HD       LYS   6  -5.486  -9.588  -5.699
   56   2HD   LYS   6          1HD       LYS   6  -7.145  -9.866  -6.232
   57   1HE   LYS   6          2HE       LYS   6  -6.361 -10.363  -8.251
   58   2HE   LYS   6          1HE       LYS   6  -5.849  -8.685  -8.411
   59   1HZ   LYS   6          1HZ       LYS   6  -3.695  -9.188  -7.824
   60   2HZ   LYS   6          2HZ       LYS   6  -4.127 -10.572  -8.699
   61   3HZ   LYS   6          3HZ       LYS   6  -4.115 -10.611  -7.007
   62    H    THR   7           H        THR   7  -9.034  -6.563  -2.776
   63    HA   THR   7           HA       THR   7  -7.657  -5.618  -0.394
   64    HB   THR   7           HB       THR   7  -9.800  -5.643   0.678
   65    HG1  THR   7           1HG      THR   7 -11.608  -6.559  -0.316
   66   1HG2  THR   7          1HG2      THR   7 -11.215  -4.319  -0.807
   67   2HG2  THR   7          2HG2      THR   7 -10.172  -4.744  -2.162
   68   3HG2  THR   7          3HG2      THR   7  -9.538  -3.773  -0.836
   69    H    LEU   8           H        LEU   8  -8.583  -7.031   1.674
   70    HA   LEU   8           HA       LEU   8  -7.139  -9.497   1.439
   71   1HB   LEU   8          2HB       LEU   8  -8.852  -8.627   3.757
   72   2HB   LEU   8          1HB       LEU   8  -7.532  -9.778   3.776
   73    HG   LEU   8           HG       LEU   8  -6.105  -7.724   3.022
   74   1HD1  LEU   8          1HD1      LEU   8  -8.529  -6.440   4.260
   75   2HD1  LEU   8          2HD1      LEU   8  -7.822  -6.123   2.674
   76   3HD1  LEU   8          3HD1      LEU   8  -6.958  -5.652   4.130
   77   1HD2  LEU   8          1HD2      LEU   8  -5.896  -7.097   5.491
   78   2HD2  LEU   8          2HD2      LEU   8  -5.561  -8.765   5.041
   79   3HD2  LEU   8          3HD2      LEU   8  -7.107  -8.342   5.780
   80    H    THR   9           H        THR   9 -10.398  -8.549   1.092
   81    HA   THR   9           HA       THR   9 -11.471 -11.203   1.552
   82    HB   THR   9           HB       THR   9 -13.514  -9.779   0.407
   83    HG1  THR   9           1HG      THR   9 -11.658  -7.975   0.888
   84   1HG2  THR   9          1HG2      THR   9 -13.422 -10.991   2.637
   85   2HG2  THR   9          2HG2      THR   9 -14.436  -9.553   2.544
   86   3HG2  THR   9          3HG2      THR   9 -12.851  -9.465   3.314
   87    H    GLY  10           H        GLY  10 -10.058  -9.536  -1.056
   88   1HA   GLY  10          2HA       GLY  10  -9.567 -10.693  -3.098
   89   2HA   GLY  10          1HA       GLY  10 -11.067 -11.590  -2.907
   90    H    ALA  11           H        ALA  11 -11.959  -8.635  -2.089
   91    HA   ALA  11           HA       ALA  11 -13.191  -8.111  -4.637
   92   1HB   ALA  11          1HB       ALA  11 -14.503  -7.842  -2.646
   93   2HB   ALA  11          2HB       ALA  11 -14.337  -6.280  -3.451
   94   3HB   ALA  11          3HB       ALA  11 -13.376  -6.640  -2.017
   95    H    THR  12           H        THR  12 -12.212  -6.998  -6.209
   96    HA   THR  12           HA       THR  12 -10.034  -5.201  -5.602
   97    HB   THR  12           HB       THR  12 -10.091  -4.848  -8.142
   98    HG1  THR  12           1HG      THR  12 -11.330  -7.069  -8.773
   99   1HG2  THR  12          1HG2      THR  12  -8.532  -6.397  -8.209
  100   2HG2  THR  12          2HG2      THR  12  -9.747  -7.671  -8.120
  101   3HG2  THR  12          3HG2      THR  12  -9.074  -6.994  -6.640
  102    H    ILE  13           H        ILE  13 -10.093  -3.010  -5.615
  103    HA   ILE  13           HA       ILE  13 -12.729  -1.785  -6.096
  104    HB   ILE  13           HB       ILE  13 -10.579  -0.627  -4.337
  105   1HG1  ILE  13          2HG1      ILE  13 -12.970  -2.132  -3.300
  106   2HG1  ILE  13          1HG1      ILE  13 -11.441  -2.944  -3.621
  107   1HG2  ILE  13          1HG2      ILE  13 -12.265   0.799  -3.501
  108   2HG2  ILE  13          2HG2      ILE  13 -13.541  -0.127  -4.291
  109   3HG2  ILE  13          3HG2      ILE  13 -12.412   0.822  -5.257
  110   1HD1  ILE  13          1HD1      ILE  13 -11.843  -2.201  -1.245
  111   2HD1  ILE  13          2HD1      ILE  13 -11.649  -0.548  -1.825
  112   3HD1  ILE  13          3HD1      ILE  13 -10.318  -1.696  -1.970
  113    H    THR  14           H        THR  14 -12.905  -0.093  -7.386
  114    HA   THR  14           HA       THR  14 -10.567   0.738  -8.939
  115    HB   THR  14           HB       THR  14 -12.365   1.892 -10.348
  116    HG1  THR  14           1HG      THR  14 -14.080   1.949  -8.982
  117   1HG2  THR  14          1HG2      THR  14 -12.770  -1.077 -10.145
  118   2HG2  THR  14          2HG2      THR  14 -11.389  -0.332 -10.954
  119   3HG2  THR  14          3HG2      THR  14 -13.022  -0.035 -11.542
  120    H    LEU  15           H        LEU  15  -9.617   2.662  -8.623
  121    HA   LEU  15           HA       LEU  15 -11.139   4.787  -7.292
  122   1HB   LEU  15          2HB       LEU  15  -8.742   3.388  -6.303
  123   2HB   LEU  15          1HB       LEU  15  -8.722   5.130  -6.132
  124    HG   LEU  15           HG       LEU  15 -11.256   4.136  -5.236
  125   1HD1  LEU  15          1HD1      LEU  15  -9.625   3.083  -3.210
  126   2HD1  LEU  15          2HD1      LEU  15  -9.091   2.353  -4.722
  127   3HD1  LEU  15          3HD1      LEU  15 -10.781   2.228  -4.231
  128   1HD2  LEU  15          1HD2      LEU  15  -8.929   5.465  -3.855
  129   2HD2  LEU  15          2HD2      LEU  15 -10.509   5.195  -3.114
  130   3HD2  LEU  15          3HD2      LEU  15 -10.365   6.240  -4.526
  131    H    GLU  16           H        GLU  16 -10.095   6.861  -7.317
  132    HA   GLU  16           HA       GLU  16  -8.663   7.352  -9.836
  133   1HB   GLU  16          2HB       GLU  16 -10.847   8.703  -8.447
  134   2HB   GLU  16          1HB       GLU  16  -9.541   9.801  -8.871
  135   1HG   GLU  16          2HG       GLU  16  -9.952   9.670 -11.070
  136   2HG   GLU  16          1HG       GLU  16 -10.389   7.964 -11.001
  137    H    VAL  17           H        VAL  17  -6.595   8.098  -9.725
  138    HA   VAL  17           HA       VAL  17  -5.477   8.585  -7.107
  139    HB   VAL  17           HB       VAL  17  -4.039   8.683  -9.757
  140   1HG1  VAL  17          1HG1      VAL  17  -2.108   7.984  -8.272
  141   2HG1  VAL  17          2HG1      VAL  17  -3.145   8.388  -6.905
  142   3HG1  VAL  17          3HG1      VAL  17  -2.691   9.634  -8.067
  143   1HG2  VAL  17          1HG2      VAL  17  -3.884   6.436  -9.849
  144   2HG2  VAL  17          2HG2      VAL  17  -5.375   6.505  -8.912
  145   3HG2  VAL  17          3HG2      VAL  17  -3.833   6.261  -8.094
  146    H    GLU  18           H        GLU  18  -3.931  10.353  -6.808
  147    HA   GLU  18           HA       GLU  18  -4.330  12.797  -8.312
  148   1HB   GLU  18          2HB       GLU  18  -6.017  12.357  -6.199
  149   2HB   GLU  18          1HB       GLU  18  -4.708  13.249  -5.443
  150   1HG   GLU  18          2HG       GLU  18  -6.268  14.865  -6.098
  151   2HG   GLU  18          1HG       GLU  18  -4.975  14.956  -7.285
  152    H    SER  19           H        SER  19  -2.803  14.424  -7.818
  153    HA   SER  19           HA       SER  19  -0.250  13.406  -7.109
  154   1HB   SER  19          2HB       SER  19  -1.100  16.307  -7.398
  155   2HB   SER  19          1HB       SER  19   0.554  15.687  -7.442
  156    HG   SER  19           HG       SER  19   0.183  15.583  -9.515
  157    H    SER  20           H        SER  20  -2.707  15.308  -5.507
  158    HA   SER  20           HA       SER  20  -1.120  15.760  -3.137
  159   1HB   SER  20          2HB       SER  20  -3.217  16.772  -2.250
  160   2HB   SER  20          1HB       SER  20  -2.742  17.432  -3.814
  161    HG   SER  20           HG       SER  20  -4.728  15.466  -3.332
  162    H    ASP  21           H        ASP  21  -2.242  13.008  -4.234
  163    HA   ASP  21           HA       ASP  21  -3.678  12.035  -1.924
  164   1HB   ASP  21          2HB       ASP  21  -2.889  10.945  -4.562
  165   2HB   ASP  21          1HB       ASP  21  -3.118   9.782  -3.260
  166    H    THR  22           H        THR  22  -2.640  11.619  -0.083
  167    HA   THR  22           HA       THR  22   0.028  10.388  -0.247
  168    HB   THR  22           HB       THR  22  -0.968  11.996   2.099
  169    HG1  THR  22           1HG      THR  22   0.837  13.192   0.408
  170   1HG2  THR  22          1HG2      THR  22   0.904  10.960   2.855
  171   2HG2  THR  22          2HG2      THR  22   1.617  12.406   2.143
  172   3HG2  THR  22          3HG2      THR  22   1.649  10.878   1.260
  173    H    ILE  23           H        ILE  23   0.553   9.207   1.897
  174    HA   ILE  23           HA       ILE  23  -1.188   7.023   2.127
  175    HB   ILE  23           HB       ILE  23   0.830   7.840   4.214
  176   1HG1  ILE  23          2HG1      ILE  23   1.850   7.931   1.959
  177   2HG1  ILE  23          1HG1      ILE  23   2.499   6.618   2.923
  178   1HG2  ILE  23          1HG2      ILE  23  -0.657   5.369   3.526
  179   2HG2  ILE  23          2HG2      ILE  23  -0.179   6.000   5.101
  180   3HG2  ILE  23          3HG2      ILE  23   1.009   5.191   4.077
  181   1HD1  ILE  23          1HD1      ILE  23   0.416   6.343   0.775
  182   2HD1  ILE  23          2HD1      ILE  23   1.087   5.028   1.740
  183   3HD1  ILE  23          3HD1      ILE  23   2.124   5.931   0.634
  184    H    ASP  24           H        ASP  24  -1.164  10.090   3.725
  185    HA   ASP  24           HA       ASP  24  -2.801   9.229   5.951
  186   1HB   ASP  24          2HB       ASP  24  -1.063  11.155   5.919
  187   2HB   ASP  24          1HB       ASP  24  -2.345  12.098   5.168
  188    H    ASN  25           H        ASN  25  -3.224  10.917   2.887
  189    HA   ASN  25           HA       ASN  25  -5.832  11.822   3.214
  190   1HB   ASN  25          2HB       ASN  25  -4.131  11.134   0.870
  191   2HB   ASN  25          1HB       ASN  25  -5.856  11.352   0.597
  192   1HD2  ASN  25          1HD2      ASN  25  -5.468  13.191  -0.652
  193   2HD2  ASN  25          2HD2      ASN  25  -5.038  14.704   0.062
  194    H    VAL  26           H        VAL  26  -4.677   8.693   1.988
  195    HA   VAL  26           HA       VAL  26  -7.140   7.599   1.283
  196    HB   VAL  26           HB       VAL  26  -6.052   5.360   1.766
  197   1HG1  VAL  26          1HG1      VAL  26  -4.077   6.090   0.045
  198   2HG1  VAL  26          2HG1      VAL  26  -5.214   7.424  -0.141
  199   3HG1  VAL  26          3HG1      VAL  26  -5.748   5.767  -0.423
  200   1HG2  VAL  26          1HG2      VAL  26  -3.384   6.451   1.941
  201   2HG2  VAL  26          2HG2      VAL  26  -4.163   5.215   2.934
  202   3HG2  VAL  26          3HG2      VAL  26  -4.357   6.920   3.332
  203    H    LYS  27           H        LYS  27  -5.446   7.525   4.393
  204    HA   LYS  27           HA       LYS  27  -7.226   5.881   5.782
  205   1HB   LYS  27          2HB       LYS  27  -5.327   8.032   6.697
  206   2HB   LYS  27          1HB       LYS  27  -6.314   7.117   7.833
  207   1HG   LYS  27          2HG       LYS  27  -4.984   5.339   7.716
  208   2HG   LYS  27          1HG       LYS  27  -4.899   5.408   5.958
  209   1HD   LYS  27          2HD       LYS  27  -2.716   5.851   6.447
  210   2HD   LYS  27          1HD       LYS  27  -3.351   7.496   6.501
  211   1HE   LYS  27          2HE       LYS  27  -3.726   6.273   9.047
  212   2HE   LYS  27          1HE       LYS  27  -2.049   6.047   8.549
  213   1HZ   LYS  27          1HZ       LYS  27  -1.671   8.137   9.143
  214   2HZ   LYS  27          2HZ       LYS  27  -3.307   8.393   9.493
  215   3HZ   LYS  27          3HZ       LYS  27  -2.724   8.666   7.929
  216    H    SER  28           H        SER  28  -7.144   9.428   5.507
  217    HA   SER  28           HA       SER  28  -9.298   9.970   7.201
  218   1HB   SER  28          2HB       SER  28  -8.090  11.444   4.881
  219   2HB   SER  28          1HB       SER  28  -9.513  12.079   5.703
  220    HG   SER  28           HG       SER  28  -8.323  12.126   7.626
  221    H    LYS  29           H        LYS  29  -9.222   9.227   3.743
  222    HA   LYS  29           HA       LYS  29 -11.821   9.813   3.049
  223   1HB   LYS  29          2HB       LYS  29  -9.721   8.709   1.763
  224   2HB   LYS  29          1HB       LYS  29 -10.759   7.298   1.920
  225   1HG   LYS  29          2HG       LYS  29 -11.120   8.414  -0.198
  226   2HG   LYS  29          1HG       LYS  29 -12.571   8.504   0.805
  227   1HD   LYS  29          2HD       LYS  29 -10.751  10.753   1.194
  228   2HD   LYS  29          1HD       LYS  29 -11.351  10.621  -0.463
  229   1HE   LYS  29          2HE       LYS  29 -13.491  10.184   1.388
  230   2HE   LYS  29          1HE       LYS  29 -12.667  11.687   1.784
  231   1HZ   LYS  29          1HZ       LYS  29 -14.387  12.160   0.225
  232   2HZ   LYS  29          2HZ       LYS  29 -13.866  10.940  -0.825
  233   3HZ   LYS  29          3HZ       LYS  29 -12.912  12.317  -0.592
  234    H    ILE  30           H        ILE  30 -10.895   7.459   5.338
  235    HA   ILE  30           HA       ILE  30 -13.120   5.703   4.879
  236    HB   ILE  30           HB       ILE  30 -11.501   5.940   7.418
  237   1HG1  ILE  30          2HG1      ILE  30 -10.884   4.244   4.990
  238   2HG1  ILE  30          1HG1      ILE  30  -9.999   5.684   5.471
  239   1HG2  ILE  30          1HG2      ILE  30 -13.715   4.456   6.920
  240   2HG2  ILE  30          2HG2      ILE  30 -12.466   4.022   8.089
  241   3HG2  ILE  30          3HG2      ILE  30 -12.438   3.327   6.469
  242   1HD1  ILE  30          1HD1      ILE  30  -9.927   2.957   6.577
  243   2HD1  ILE  30          2HD1      ILE  30  -9.786   4.282   7.732
  244   3HD1  ILE  30          3HD1      ILE  30  -8.643   4.151   6.395
  245    H    GLN  31           H        GLN  31 -13.711   8.535   5.125
  246    HA   GLN  31           HA       GLN  31 -14.960   8.821   7.730
  247   1HB   GLN  31          2HB       GLN  31 -13.810  10.638   6.083
  248   2HB   GLN  31          1HB       GLN  31 -15.497  10.844   5.645
  249   1HG   GLN  31          2HG       GLN  31 -15.730  12.165   7.399
  250   2HG   GLN  31          1HG       GLN  31 -15.451  10.772   8.441
  251   1HE2  GLN  31          1HE2      GLN  31 -13.126  10.241   8.810
  252   2HE2  GLN  31          2HE2      GLN  31 -12.046  11.565   9.073
  253    H    ALA  32           H        ALA  32 -15.837   6.970   5.371
  254    HA   ALA  32           HA       ALA  32 -18.641   7.842   5.284
  255   1HB   ALA  32          1HB       ALA  32 -18.266   5.746   3.460
  256   2HB   ALA  32          2HB       ALA  32 -16.875   6.815   3.279
  257   3HB   ALA  32          3HB       ALA  32 -18.510   7.457   3.116
  258    H    ALA  33           H        ALA  33 -17.084   4.662   4.948
  259    HA   ALA  33           HA       ALA  33 -19.076   3.549   6.802
  260   1HB   ALA  33          1HB       ALA  33 -18.536   2.696   4.361
  261   2HB   ALA  33          2HB       ALA  33 -18.968   1.581   5.655
  262   3HB   ALA  33          3HB       ALA  33 -17.274   1.807   5.210
  263    HA   PRO  34           HA       PRO  34 -15.704   3.138   9.700
  264   1HB   PRO  34          2HB       PRO  34 -17.102   2.194  11.772
  265   2HB   PRO  34          1HB       PRO  34 -17.300   3.856  11.215
  266   1HG   PRO  34          2HG       PRO  34 -19.041   1.475  10.713
  267   2HG   PRO  34          1HG       PRO  34 -19.503   3.142  11.096
  268   1HD   PRO  34          2HD       PRO  34 -19.469   2.064   8.556
  269   2HD   PRO  34          1HD       PRO  34 -19.365   3.797   8.913
  270    H    GLY  35           H        GLY  35 -15.667   1.119  11.626
  271   1HA   GLY  35          2HA       GLY  35 -16.047  -1.389  11.477
  272   2HA   GLY  35          1HA       GLY  35 -15.252  -1.247   9.918
  273    H    ILE  36           H        ILE  36 -13.056  -1.151   9.809
  274    HA   ILE  36           HA       ILE  36 -11.633  -1.856  12.252
  275    HB   ILE  36           HB       ILE  36  -9.704  -2.224  10.659
  276   1HG1  ILE  36          2HG1      ILE  36 -11.730  -2.208   8.455
  277   2HG1  ILE  36          1HG1      ILE  36 -10.948  -0.701   8.906
  278   1HG2  ILE  36          1HG2      ILE  36 -10.349  -4.358  10.610
  279   2HG2  ILE  36          2HG2      ILE  36 -11.707  -4.003   9.543
  280   3HG2  ILE  36          3HG2      ILE  36 -11.884  -3.817  11.287
  281   1HD1  ILE  36          1HD1      ILE  36  -9.726  -3.178   7.747
  282   2HD1  ILE  36          2HD1      ILE  36  -8.745  -1.972   8.584
  283   3HD1  ILE  36          3HD1      ILE  36  -9.662  -1.519   7.149
  284    HA   PRO  37           HA       PRO  37  -9.631   2.013  12.918
  285   1HB   PRO  37          2HB       PRO  37  -7.004   0.682  13.116
  286   2HB   PRO  37          1HB       PRO  37  -7.891   1.602  14.330
  287   1HG   PRO  37          2HG       PRO  37  -7.665  -1.058  14.522
  288   2HG   PRO  37          1HG       PRO  37  -9.157  -0.229  14.992
  289   1HD   PRO  37          2HD       PRO  37  -8.534  -1.714  12.462
  290   2HD   PRO  37          1HD       PRO  37 -10.008  -1.754  13.451
  291    HA   PRO  38           HA       PRO  38  -8.172   3.085   8.826
  292   1HB   PRO  38          2HB       PRO  38  -7.560   5.694   9.366
  293   2HB   PRO  38          1HB       PRO  38  -9.198   5.119   9.051
  294   1HG   PRO  38          2HG       PRO  38  -7.851   5.667  11.665
  295   2HG   PRO  38          1HG       PRO  38  -9.499   6.065  11.150
  296   1HD   PRO  38          2HD       PRO  38  -8.997   3.960  12.736
  297   2HD   PRO  38          1HD       PRO  38 -10.268   3.916  11.496
  298    H    ASP  39           H        ASP  39  -6.313   3.359  11.748
  299    HA   ASP  39           HA       ASP  39  -3.858   4.115  10.462
  300   1HB   ASP  39          2HB       ASP  39  -4.850   3.928  13.137
  301   2HB   ASP  39          1HB       ASP  39  -3.377   2.974  13.017
  302    H    GLN  40           H        GLN  40  -5.627   1.314  10.596
  303    HA   GLN  40           HA       GLN  40  -3.298  -0.465  10.603
  304   1HB   GLN  40          2HB       GLN  40  -6.260  -1.072  10.593
  305   2HB   GLN  40          1HB       GLN  40  -4.994  -2.288  10.574
  306   1HG   GLN  40          2HG       GLN  40  -4.198  -0.977  12.726
  307   2HG   GLN  40          1HG       GLN  40  -5.899  -0.527  12.781
  308   1HE2  GLN  40          1HE2      GLN  40  -3.628  -2.897  13.543
  309   2HE2  GLN  40          2HE2      GLN  40  -4.726  -4.151  13.993
  310    H    GLN  41           H        GLN  41  -4.183   1.469   8.418
  311    HA   GLN  41           HA       GLN  41  -4.373  -0.523   6.249
  312   1HB   GLN  41          2HB       GLN  41  -5.653   2.103   6.666
  313   2HB   GLN  41          1HB       GLN  41  -5.022   1.842   5.046
  314   1HG   GLN  41          2HG       GLN  41  -6.354  -0.510   5.644
  315   2HG   GLN  41          1HG       GLN  41  -7.383   0.757   6.308
  316   1HE2  GLN  41          1HE2      GLN  41  -7.853  -1.005   4.070
  317   2HE2  GLN  41          2HE2      GLN  41  -8.101  -0.001   2.684
  318    H    GLU  42           H        GLU  42  -2.739  -0.673   4.889
  319    HA   GLU  42           HA       GLU  42  -0.987   1.565   4.340
  320   1HB   GLU  42          2HB       GLU  42  -0.232  -0.618   6.142
  321   2HB   GLU  42          1HB       GLU  42   0.927  -0.328   4.852
  322   1HG   GLU  42          2HG       GLU  42   0.768   2.134   5.556
  323   2HG   GLU  42          1HG       GLU  42   0.036   1.510   7.030
  324    H    LEU  43           H        LEU  43   0.481   1.178   2.529
  325    HA   LEU  43           HA       LEU  43  -0.545  -0.925   0.760
  326   1HB   LEU  43          2HB       LEU  43   1.196   1.464   0.129
  327   2HB   LEU  43          1HB       LEU  43   0.572   0.317  -1.040
  328    HG   LEU  43           HG       LEU  43  -1.744   1.097   0.013
  329   1HD1  LEU  43          1HD1      LEU  43  -0.319   3.699   0.049
  330   2HD1  LEU  43          2HD1      LEU  43  -0.264   2.682   1.492
  331   3HD1  LEU  43          3HD1      LEU  43  -1.816   3.219   0.848
  332   1HD2  LEU  43          1HD2      LEU  43  -2.056   1.824  -2.063
  333   2HD2  LEU  43          2HD2      LEU  43  -0.341   1.534  -2.351
  334   3HD2  LEU  43          3HD2      LEU  43  -0.893   3.128  -1.841
  335    H    ILE  44           H        ILE  44   0.851  -2.443  -0.171
  336    HA   ILE  44           HA       ILE  44   3.663  -2.362   0.597
  337    HB   ILE  44           HB       ILE  44   2.088  -4.863   1.153
  338   1HG1  ILE  44          2HG1      ILE  44   3.058  -3.202   3.411
  339   2HG1  ILE  44          1HG1      ILE  44   1.622  -2.633   2.575
  340   1HG2  ILE  44          1HG2      ILE  44   4.040  -5.550   2.379
  341   2HG2  ILE  44          2HG2      ILE  44   4.794  -3.974   2.141
  342   3HG2  ILE  44          3HG2      ILE  44   4.533  -5.042   0.765
  343   1HD1  ILE  44          1HD1      ILE  44   1.965  -5.341   3.829
  344   2HD1  ILE  44          2HD1      ILE  44   0.529  -4.757   2.989
  345   3HD1  ILE  44          3HD1      ILE  44   1.040  -3.993   4.492
  346    H    PHE  45           H        PHE  45   4.972  -3.111  -0.971
  347    HA   PHE  45           HA       PHE  45   3.761  -4.254  -3.348
  348   1HB   PHE  45          2HB       PHE  45   6.107  -2.711  -2.791
  349   2HB   PHE  45          1HB       PHE  45   6.582  -4.202  -3.598
  350    HD1  PHE  45           1HD      PHE  45   3.863  -1.663  -3.903
  351    HD2  PHE  45           2HD      PHE  45   6.784  -4.044  -5.878
  352    HE1  PHE  45           1HE      PHE  45   3.204  -0.676  -6.061
  353    HE2  PHE  45           2HE      PHE  45   6.133  -3.064  -8.037
  354    HZ   PHE  45           HZ       PHE  45   4.346  -1.374  -8.132
  355    H    ALA  46           H        ALA  46   4.039  -5.711  -0.720
  356    HA   ALA  46           HA       ALA  46   4.331  -7.867  -0.056
  357   1HB   ALA  46          1HB       ALA  46   5.411  -8.891  -2.592
  358   2HB   ALA  46          2HB       ALA  46   3.823  -8.135  -2.714
  359   3HB   ALA  46          3HB       ALA  46   4.076  -9.480  -1.604
  360    H    GLY  47           H        GLY  47   6.851  -7.194  -2.461
  361   1HA   GLY  47          2HA       GLY  47   8.848  -7.994  -0.453
  362   2HA   GLY  47          1HA       GLY  47   9.105  -8.014  -2.195
  363    H    LYS  48           H        LYS  48   7.442  -5.266  -1.815
  364    HA   LYS  48           HA       LYS  48   9.810  -3.669  -1.067
  365   1HB   LYS  48          2HB       LYS  48   9.459  -3.743  -3.555
  366   2HB   LYS  48          1HB       LYS  48   7.903  -2.982  -3.304
  367   1HG   LYS  48          2HG       LYS  48   8.814  -0.977  -3.254
  368   2HG   LYS  48          1HG       LYS  48   9.927  -1.461  -1.974
  369   1HD   LYS  48          2HD       LYS  48  11.637  -1.729  -3.411
  370   2HD   LYS  48          1HD       LYS  48  10.614  -2.492  -4.632
  371   1HE   LYS  48          2HE       LYS  48  11.487  -0.396  -5.485
  372   2HE   LYS  48          1HE       LYS  48   9.744  -0.270  -5.256
  373   1HZ   LYS  48          1HZ       LYS  48  10.340   1.631  -4.248
  374   2HZ   LYS  48          2HZ       LYS  48  11.903   1.099  -3.877
  375   3HZ   LYS  48          3HZ       LYS  48  10.595   0.621  -2.914
  376    H    GLN  49           H        GLN  49   9.249  -2.749   0.786
  377    HA   GLN  49           HA       GLN  49   6.485  -2.083   1.331
  378   1HB   GLN  49          2HB       GLN  49   8.844  -1.502   3.107
  379   2HB   GLN  49          1HB       GLN  49   7.161  -1.701   3.569
  380   1HG   GLN  49          2HG       GLN  49   7.351  -3.914   3.732
  381   2HG   GLN  49          1HG       GLN  49   8.271  -4.042   2.234
  382   1HE2  GLN  49          1HE2      GLN  49   8.379  -4.158   5.606
  383   2HE2  GLN  49          2HE2      GLN  49  10.093  -4.239   5.803
  384    H    LEU  50           H        LEU  50   5.577  -0.127   1.200
  385    HA   LEU  50           HA       LEU  50   7.143   2.059   0.166
  386   1HB   LEU  50          2HB       LEU  50   4.205   2.043   0.836
  387   2HB   LEU  50          1HB       LEU  50   5.051   3.155  -0.224
  388    HG   LEU  50           HG       LEU  50   4.413   0.253  -0.736
  389   1HD1  LEU  50          1HD1      LEU  50   3.092   2.653  -1.293
  390   2HD1  LEU  50          2HD1      LEU  50   2.720   1.050  -1.928
  391   3HD1  LEU  50          3HD1      LEU  50   3.800   2.126  -2.819
  392   1HD2  LEU  50          1HD2      LEU  50   6.409   0.202  -1.774
  393   2HD2  LEU  50          2HD2      LEU  50   6.539   1.959  -1.854
  394   3HD2  LEU  50          3HD2      LEU  50   5.549   1.092  -3.032
  395    H    GLU  51           H        GLU  51   6.953   4.223   1.004
  396    HA   GLU  51           HA       GLU  51   7.179   4.262   3.929
  397   1HB   GLU  51          2HB       GLU  51   8.079   6.124   1.747
  398   2HB   GLU  51          1HB       GLU  51   8.044   6.649   3.420
  399   1HG   GLU  51          2HG       GLU  51  10.170   5.929   3.369
  400   2HG   GLU  51          1HG       GLU  51   9.407   4.375   3.711
  401    H    ASP  52           H        ASP  52   5.482   4.847   5.081
  402    HA   ASP  52           HA       ASP  52   3.124   5.897   4.010
  403   1HB   ASP  52          2HB       ASP  52   4.152   5.705   6.825
  404   2HB   ASP  52          1HB       ASP  52   2.587   6.412   6.453
  405    H    GLY  53           H        GLY  53   5.995   7.438   5.212
  406   1HA   GLY  53          2HA       GLY  53   4.763  10.049   5.445
  407   2HA   GLY  53          1HA       GLY  53   6.472   9.681   5.639
  408    H    ARG  54           H        ARG  54   5.313   8.298   2.806
  409    HA   ARG  54           HA       ARG  54   6.573  10.414   1.233
  410   1HB   ARG  54          2HB       ARG  54   5.945   7.523   0.712
  411   2HB   ARG  54          1HB       ARG  54   6.338   8.614  -0.609
  412   1HG   ARG  54          2HG       ARG  54   8.139   8.403   1.767
  413   2HG   ARG  54          1HG       ARG  54   8.212   7.206   0.472
  414   1HD   ARG  54          2HD       ARG  54   8.988   8.717  -1.068
  415   2HD   ARG  54          1HD       ARG  54   8.277  10.095  -0.234
  416    HE   ARG  54           HE       ARG  54  10.557   8.681   0.962
  417   1HH1  ARG  54          1HH1      ARG  54   9.172  11.579  -0.394
  418   2HH1  ARG  54          2HH1      ARG  54  10.483  12.587   0.109
  419   1HH2  ARG  54          1HH2      ARG  54  12.286   9.996   1.616
  420   2HH2  ARG  54          2HH2      ARG  54  12.262  11.687   1.244
  421    H    THR  55           H        THR  55   5.601  11.066  -0.830
  422    HA   THR  55           HA       THR  55   2.678  11.216  -0.581
  423    HB   THR  55           HB       THR  55   4.450  12.982  -2.267
  424    HG1  THR  55           1HG      THR  55   4.605  12.897   0.245
  425   1HG2  THR  55          1HG2      THR  55   2.350  13.451  -3.030
  426   2HG2  THR  55          2HG2      THR  55   2.449  14.563  -1.664
  427   3HG2  THR  55          3HG2      THR  55   1.582  13.039  -1.497
  428    H    LEU  56           H        LEU  56   1.527  11.499  -2.788
  429    HA   LEU  56           HA       LEU  56   1.902   9.128  -4.249
  430   1HB   LEU  56          2HB       LEU  56  -0.188  10.650  -4.008
  431   2HB   LEU  56          1HB       LEU  56   0.469  11.500  -5.383
  432    HG   LEU  56           HG       LEU  56   0.437   8.668  -5.892
  433   1HD1  LEU  56          1HD1      LEU  56  -2.174   8.731  -6.070
  434   2HD1  LEU  56          2HD1      LEU  56  -2.022   9.871  -4.751
  435   3HD1  LEU  56          3HD1      LEU  56  -1.385   8.240  -4.579
  436   1HD2  LEU  56          1HD2      LEU  56  -1.359   9.888  -7.581
  437   2HD2  LEU  56          2HD2      LEU  56   0.363   9.688  -7.871
  438   3HD2  LEU  56          3HD2      LEU  56  -0.249  11.186  -7.173
  439    H    SER  57           H        SER  57   2.583  12.506  -5.127
  440    HA   SER  57           HA       SER  57   3.637  12.035  -7.664
  441   1HB   SER  57          2HB       SER  57   3.379  14.253  -5.915
  442   2HB   SER  57          1HB       SER  57   5.061  14.205  -6.446
  443    HG   SER  57           HG       SER  57   3.077  13.809  -8.367
  444    H    ASP  58           H        ASP  58   5.101  11.768  -4.519
  445    HA   ASP  58           HA       ASP  58   7.803  11.542  -5.452
  446   1HB   ASP  58          2HB       ASP  58   6.446  11.032  -2.819
  447   2HB   ASP  58          1HB       ASP  58   8.133  10.590  -3.072
  448    H    TYR  59           H        TYR  59   5.166   9.334  -4.988
  449    HA   TYR  59           HA       TYR  59   6.950   7.129  -5.821
  450   1HB   TYR  59          2HB       TYR  59   5.282   7.295  -3.465
  451   2HB   TYR  59          1HB       TYR  59   4.757   5.968  -4.495
  452    HD1  TYR  59           1HD      TYR  59   6.467   6.356  -1.693
  453    HD2  TYR  59           2HD      TYR  59   7.219   4.971  -5.646
  454    HE1  TYR  59           1HE      TYR  59   8.299   4.966  -0.849
  455    HE2  TYR  59           2HE      TYR  59   9.066   3.572  -4.800
  456    HH   TYR  59           HH       TYR  59  10.167   3.783  -1.480
  457    H    ASN  60           H        ASN  60   5.452   8.909  -7.454
  458    HA   ASN  60           HA       ASN  60   3.147   7.391  -8.372
  459   1HB   ASN  60          2HB       ASN  60   3.047   9.871  -8.155
  460   2HB   ASN  60          1HB       ASN  60   4.249   9.997  -9.432
  461   1HD2  ASN  60          1HD2      ASN  60   1.361   7.971  -9.006
  462   2HD2  ASN  60          2HD2      ASN  60   0.611   8.438 -10.489
  463    H    ILE  61           H        ILE  61   3.889   5.632  -9.363
  464    HA   ILE  61           HA       ILE  61   5.994   5.791 -11.375
  465    HB   ILE  61           HB       ILE  61   4.419   3.336 -10.613
  466   1HG1  ILE  61          2HG1      ILE  61   6.645   2.956  -9.214
  467   2HG1  ILE  61          1HG1      ILE  61   6.663   4.718  -9.197
  468   1HG2  ILE  61          1HG2      ILE  61   6.854   3.921 -12.191
  469   2HG2  ILE  61          2HG2      ILE  61   5.598   2.711 -12.452
  470   3HG2  ILE  61          3HG2      ILE  61   6.846   2.440 -11.235
  471   1HD1  ILE  61          1HD1      ILE  61   5.556   3.532  -7.237
  472   2HD1  ILE  61          2HD1      ILE  61   4.254   3.151  -8.360
  473   3HD1  ILE  61          3HD1      ILE  61   4.651   4.828  -8.012
  474    H    GLN  62           H        GLN  62   5.574   4.493 -13.447
  475    HA   GLN  62           HA       GLN  62   3.704   5.741 -15.037
  476   1HB   GLN  62          2HB       GLN  62   5.639   4.415 -15.848
  477   2HB   GLN  62          1HB       GLN  62   4.774   2.944 -15.428
  478   1HG   GLN  62          2HG       GLN  62   2.927   4.078 -16.986
  479   2HG   GLN  62          1HG       GLN  62   4.375   4.798 -17.690
  480   1HE2  GLN  62          1HE2      GLN  62   3.668   3.571 -19.568
  481   2HE2  GLN  62          2HE2      GLN  62   4.173   1.927 -19.728
  482    H    LYS  63           H        LYS  63   1.595   5.728 -15.067
  483    HA   LYS  63           HA       LYS  63  -0.169   4.354 -13.546
  484   1HB   LYS  63          2HB       LYS  63  -1.905   4.929 -15.141
  485   2HB   LYS  63          1HB       LYS  63  -0.762   6.255 -14.971
  486   1HG   LYS  63          2HG       LYS  63   0.325   4.957 -17.064
  487   2HG   LYS  63          1HG       LYS  63  -1.382   4.576 -17.302
  488   1HD   LYS  63          2HD       LYS  63  -1.891   6.993 -17.127
  489   2HD   LYS  63          1HD       LYS  63  -0.164   7.321 -17.036
  490   1HE   LYS  63          2HE       LYS  63  -0.447   7.595 -19.273
  491   2HE   LYS  63          1HE       LYS  63  -0.172   5.851 -19.253
  492   1HZ   LYS  63          1HZ       LYS  63  -2.632   7.340 -19.745
  493   2HZ   LYS  63          2HZ       LYS  63  -2.778   5.874 -18.917
  494   3HZ   LYS  63          3HZ       LYS  63  -2.073   5.908 -20.456
  495    H    GLU  64           H        GLU  64  -1.855   2.741 -14.143
  496    HA   GLU  64           HA       GLU  64  -2.508   0.652 -14.775
  497   1HB   GLU  64          2HB       GLU  64  -0.484   1.115 -16.970
  498   2HB   GLU  64          1HB       GLU  64  -1.461  -0.340 -16.858
  499   1HG   GLU  64          2HG       GLU  64  -3.370   1.584 -16.712
  500   2HG   GLU  64          1HG       GLU  64  -2.166   2.359 -17.747
  501    H    SER  65           H        SER  65  -1.650   0.052 -12.765
  502    HA   SER  65           HA       SER  65   0.245  -2.072 -12.901
  503   1HB   SER  65          2HB       SER  65   1.316   0.485 -12.391
  504   2HB   SER  65          1HB       SER  65   1.251  -0.317 -10.820
  505    HG   SER  65           HG       SER  65   2.380  -1.464 -13.155
  506    H    THR  66           H        THR  66  -0.397  -3.549 -11.475
  507    HA   THR  66           HA       THR  66  -2.627  -3.176  -9.809
  508    HB   THR  66           HB       THR  66  -0.600  -5.347  -9.343
  509    HG1  THR  66           1HG      THR  66  -2.499  -5.241 -11.444
  510   1HG2  THR  66          1HG2      THR  66  -3.251  -6.294  -9.546
  511   2HG2  THR  66          2HG2      THR  66  -3.255  -4.892  -8.474
  512   3HG2  THR  66          3HG2      THR  66  -2.192  -6.259  -8.136
  513    H    LEU  67           H        LEU  67  -2.906  -2.753  -7.675
  514    HA   LEU  67           HA       LEU  67  -0.515  -1.980  -6.142
  515   1HB   LEU  67          2HB       LEU  67  -3.248  -0.846  -6.382
  516   2HB   LEU  67          1HB       LEU  67  -2.524  -0.808  -4.789
  517    HG   LEU  67           HG       LEU  67  -0.929   0.244  -7.080
  518   1HD1  LEU  67          1HD1      LEU  67  -3.014   1.932  -5.714
  519   2HD1  LEU  67          2HD1      LEU  67  -3.305   1.127  -7.255
  520   3HD1  LEU  67          3HD1      LEU  67  -2.027   2.335  -7.120
  521   1HD2  LEU  67          1HD2      LEU  67   0.251   0.295  -5.085
  522   2HD2  LEU  67          2HD2      LEU  67  -1.170   0.718  -4.133
  523   3HD2  LEU  67          3HD2      LEU  67  -0.416   1.924  -5.175
  524    H    HIS  68           H        HIS  68  -0.299  -2.767  -4.008
  525    HA   HIS  68           HA       HIS  68  -2.253  -4.841  -3.256
  526   1HB   HIS  68          2HB       HIS  68   0.748  -4.834  -3.073
  527   2HB   HIS  68          1HB       HIS  68  -0.235  -5.916  -2.089
  528    HD1  HIS  68           1HD      HIS  68   0.687  -8.002  -3.274
  529    HD2  HIS  68           2HD      HIS  68  -1.219  -5.325  -5.822
  530    HE1  HIS  68           1HE      HIS  68   0.330  -9.254  -5.419
  531    HE2  HIS  68           2HE      HIS  68  -0.892  -7.642  -6.923
  532    H    LEU  69           H        LEU  69  -3.327  -4.361  -1.496
  533    HA   LEU  69           HA       LEU  69  -2.001  -2.766   0.596
  534   1HB   LEU  69          2HB       LEU  69  -4.167  -1.978  -0.748
  535   2HB   LEU  69          1HB       LEU  69  -4.965  -2.955   0.474
  536    HG   LEU  69           HG       LEU  69  -3.120  -1.332   1.842
  537   1HD1  LEU  69          1HD1      LEU  69  -2.856   0.328   0.323
  538   2HD1  LEU  69          2HD1      LEU  69  -4.332   0.887   1.096
  539   3HD1  LEU  69          3HD1      LEU  69  -4.411   0.041  -0.447
  540   1HD2  LEU  69          1HD2      LEU  69  -4.948  -1.683   3.090
  541   2HD2  LEU  69          2HD2      LEU  69  -6.024  -1.748   1.695
  542   3HD2  LEU  69          3HD2      LEU  69  -5.510  -0.189   2.344
  543    H    VAL  70           H        VAL  70  -1.566  -3.866   2.394
  544    HA   VAL  70           HA       VAL  70  -3.195  -6.244   2.987
  545    HB   VAL  70           HB       VAL  70  -0.379  -5.721   3.918
  546   1HG1  VAL  70          1HG1      VAL  70  -0.684  -8.387   4.029
  547   2HG1  VAL  70          2HG1      VAL  70  -2.339  -7.874   4.362
  548   3HG1  VAL  70          3HG1      VAL  70  -1.019  -7.311   5.385
  549   1HG2  VAL  70          1HG2      VAL  70  -0.417  -7.856   2.099
  550   2HG2  VAL  70          2HG2      VAL  70   0.330  -6.272   1.891
  551   3HG2  VAL  70          3HG2      VAL  70  -1.320  -6.543   1.342
  552    H    LEU  71           H        LEU  71  -3.718  -6.720   5.176
  553    HA   LEU  71           HA       LEU  71  -3.303  -4.568   7.106
  554   1HB   LEU  71          2HB       LEU  71  -5.908  -5.469   6.006
  555   2HB   LEU  71          1HB       LEU  71  -5.836  -5.118   7.724
  556    HG   LEU  71           HG       LEU  71  -4.736  -2.881   6.938
  557   1HD1  LEU  71          1HD1      LEU  71  -6.350  -2.574   4.679
  558   2HD1  LEU  71          2HD1      LEU  71  -5.467  -4.084   4.439
  559   3HD1  LEU  71          3HD1      LEU  71  -4.588  -2.589   4.749
  560   1HD2  LEU  71          1HD2      LEU  71  -6.771  -2.838   8.130
  561   2HD2  LEU  71          2HD2      LEU  71  -7.655  -3.582   6.802
  562   3HD2  LEU  71          3HD2      LEU  71  -7.072  -1.924   6.653
  563    H    ARG  72           H        ARG  72  -1.781  -6.365   7.751
  564    HA   ARG  72           HA       ARG  72  -2.765  -8.784   8.835
  565   1HB   ARG  72          2HB       ARG  72  -0.205  -7.296   8.910
  566   2HB   ARG  72          1HB       ARG  72  -0.474  -8.447  10.212
  567   1HG   ARG  72          2HG       ARG  72   0.013 -10.150   8.890
  568   2HG   ARG  72          1HG       ARG  72  -1.159  -9.623   7.679
  569   1HD   ARG  72          2HD       ARG  72   0.418  -8.325   6.547
  570   2HD   ARG  72          1HD       ARG  72   1.505  -8.273   7.939
  571    HE   ARG  72           HE       ARG  72   1.170 -10.934   6.989
  572   1HH1  ARG  72          1HH1      ARG  72   2.798  -7.935   6.250
  573   2HH1  ARG  72          2HH1      ARG  72   4.122  -8.707   5.447
  574   1HH2  ARG  72          1HH2      ARG  72   2.905 -11.946   5.913
  575   2HH2  ARG  72          2HH2      ARG  72   4.184 -10.980   5.255
  576    H    LEU  73           H        LEU  73  -2.799  -9.398  11.120
  577    HA   LEU  73           HA       LEU  73  -4.081  -7.331  12.687
  578   1HB   LEU  73          2HB       LEU  73  -3.862 -10.288  12.803
  579   2HB   LEU  73          1HB       LEU  73  -4.095  -9.454  14.324
  580    HG   LEU  73           HG       LEU  73  -5.971  -8.516  12.319
  581   1HD1  LEU  73          1HD1      LEU  73  -5.915 -10.656  11.322
  582   2HD1  LEU  73          2HD1      LEU  73  -7.308 -10.682  12.401
  583   3HD1  LEU  73          3HD1      LEU  73  -5.805 -11.464  12.884
  584   1HD2  LEU  73          1HD2      LEU  73  -7.207  -9.868  14.481
  585   2HD2  LEU  73          2HD2      LEU  73  -7.022  -8.130  14.240
  586   3HD2  LEU  73          3HD2      LEU  73  -5.789  -9.033  15.118
  587    H    ARG  74           H        ARG  74  -3.408  -6.638  14.697
  588    HA   ARG  74           HA       ARG  74  -0.825  -7.468  15.720
  589   1HB   ARG  74          2HB       ARG  74  -0.446  -5.653  13.995
  590   2HB   ARG  74          1HB       ARG  74  -1.299  -4.564  15.077
  591   1HG   ARG  74          2HG       ARG  74   0.961  -4.204  15.525
  592   2HG   ARG  74          1HG       ARG  74   0.403  -5.234  16.842
  593   1HD   ARG  74          2HD       ARG  74   1.689  -6.969  16.200
  594   2HD   ARG  74          1HD       ARG  74   1.436  -6.658  14.484
  595    HE   ARG  74           HE       ARG  74   3.598  -5.690  16.125
  596   1HH1  ARG  74          1HH1      ARG  74   1.756  -5.179  13.206
  597   2HH1  ARG  74          2HH1      ARG  74   3.019  -4.303  12.411
  598   1HH2  ARG  74          1HH2      ARG  74   5.253  -4.514  15.093
  599   2HH2  ARG  74          2HH2      ARG  74   5.005  -3.925  13.482
  600    H    GLY  75           H        GLY  75  -3.766  -7.270  16.489
  601   1HA   GLY  75          2HA       GLY  75  -3.848  -5.368  18.622
  602   2HA   GLY  75          1HA       GLY  75  -5.040  -6.620  18.298
  603    H    GLY  76           H        GLY  76  -3.122  -5.544  20.607
  604   1HA   GLY  76          2HA       GLY  76  -2.264  -6.418  22.551
  605   2HA   GLY  76          1HA       GLY  76  -3.314  -7.793  22.246
  606    H    HIS  77           H        HIS  77  -1.381  -8.768  23.415
  607    HA   HIS  77           HA       HIS  77   0.654  -9.556  21.439
  608   1HB   HIS  77          2HB       HIS  77   1.019  -8.468  23.994
  609   2HB   HIS  77          1HB       HIS  77   1.379 -10.180  24.167
  610    HD1  HIS  77           1HD      HIS  77   2.181  -8.652  20.887
  611    HD2  HIS  77           2HD      HIS  77   4.116  -9.447  24.479
  612    HE1  HIS  77           1HE      HIS  77   4.641  -8.420  20.403
  613    HE2  HIS  77           2HE      HIS  77   5.777  -8.810  22.615
  614    H    HIS  78           H        HIS  78   1.697 -11.776  22.390
  615    HA   HIS  78           HA       HIS  78  -0.517 -13.576  23.081
  616   1HB   HIS  78          2HB       HIS  78   0.237 -15.213  21.415
  617   2HB   HIS  78          1HB       HIS  78  -0.233 -13.700  20.650
  618    HD1  HIS  78           1HD      HIS  78   2.268 -16.160  20.411
  619    HD2  HIS  78           2HD      HIS  78   2.317 -12.007  20.343
  620    HE1  HIS  78           1HE      HIS  78   4.426 -15.529  19.278
  621    HE2  HIS  78           2HE      HIS  78   4.393 -13.019  19.174
  622    H    HIS  79           H        HIS  79   0.062 -15.425  24.238
  623    HA   HIS  79           HA       HIS  79   2.508 -15.184  25.741
  624   1HB   HIS  79          2HB       HIS  79   0.317 -15.826  26.771
  625   2HB   HIS  79          1HB       HIS  79   0.415 -17.361  25.908
  626    HD1  HIS  79           1HD      HIS  79   2.282 -15.385  28.550
  627    HD2  HIS  79           2HD      HIS  79   1.890 -19.289  27.189
  628    HE1  HIS  79           1HE      HIS  79   3.534 -16.800  30.203
  629    HE2  HIS  79           2HE      HIS  79   3.202 -19.167  29.408
  630    H    HIS  80           H        HIS  80   4.168 -16.713  25.853
  631    HA   HIS  80           HA       HIS  80   4.510 -18.234  23.397
  632   1HB   HIS  80          2HB       HIS  80   6.250 -16.778  25.045
  633   2HB   HIS  80          1HB       HIS  80   6.719 -18.465  25.242
  634    HD1  HIS  80           1HD      HIS  80   5.387 -18.033  21.925
  635    HD2  HIS  80           2HD      HIS  80   9.044 -17.339  23.769
  636    HE1  HIS  80           1HE      HIS  80   7.053 -17.842  20.049
  637    HE2  HIS  80           2HE      HIS  80   9.265 -17.428  21.190
  638    H    HIS  81           H        HIS  81   3.654 -20.197  23.370
  639    HA   HIS  81           HA       HIS  81   3.507 -21.805  25.788
  640   1HB   HIS  81          2HB       HIS  81   2.177 -21.772  23.185
  641   2HB   HIS  81          1HB       HIS  81   2.628 -23.391  23.702
  642    HD1  HIS  81           1HD      HIS  81   1.043 -24.513  25.236
  643    HD2  HIS  81           2HD      HIS  81   0.566 -20.384  25.258
  644    HE1  HIS  81           1HE      HIS  81  -0.965 -24.072  26.693
  645    HE2  HIS  81           2HE      HIS  81  -1.241 -21.564  26.681
  646    H    HIS  82           H        HIS  82   4.930 -23.322  26.328
  647    HA   HIS  82           HA       HIS  82   7.116 -23.929  24.509
  648   1HB   HIS  82          2HB       HIS  82   7.428 -23.339  26.957
  649   2HB   HIS  82          1HB       HIS  82   6.758 -24.917  27.339
  650    HD1  HIS  82           1HD      HIS  82   8.722 -26.239  28.112
  651    HD2  HIS  82           2HD      HIS  82   9.537 -24.103  24.644
  652    HE1  HIS  82           1HE      HIS  82  11.033 -26.946  27.414
  653    HE2  HIS  82           2HE      HIS  82  11.486 -25.671  25.282
  Start of MODEL    4
    1   1H    MET   1          1HT       MET   1  -5.885   6.651 -14.822
    2   2H    MET   1          2HT       MET   1  -5.580   8.332 -14.948
    3   3H    MET   1          3HT       MET   1  -6.865   7.622 -15.826
    4    HA   MET   1           HA       MET   1  -6.637   8.163 -12.965
    5   1HB   MET   1          2HB       MET   1  -8.963   9.032 -13.449
    6   2HB   MET   1          1HB       MET   1  -7.654   9.890 -14.254
    7   1HG   MET   1          2HG       MET   1  -8.303   8.007 -16.110
    8   2HG   MET   1          1HG       MET   1  -9.865   8.338 -15.374
    9   1HE   MET   1          1HE       MET   1 -11.275  10.101 -17.232
   10   2HE   MET   1          2HE       MET   1 -10.324   8.737 -17.824
   11   3HE   MET   1          3HE       MET   1 -10.175  10.317 -18.592
   12    H    GLN   2           H        GLN   2  -6.311   5.495 -13.514
   13    HA   GLN   2           HA       GLN   2  -8.587   4.376 -12.194
   14   1HB   GLN   2          2HB       GLN   2  -9.003   4.432 -14.812
   15   2HB   GLN   2          1HB       GLN   2  -7.994   2.992 -14.768
   16   1HG   GLN   2          2HG       GLN   2  -9.703   1.760 -14.099
   17   2HG   GLN   2          1HG       GLN   2  -9.977   2.822 -12.719
   18   1HE2  GLN   2          1HE2      GLN   2 -12.232   2.059 -13.284
   19   2HE2  GLN   2          2HE2      GLN   2 -13.129   3.040 -14.385
   20    H    ILE   3           H        ILE   3  -7.710   3.130 -10.720
   21    HA   ILE   3           HA       ILE   3  -5.328   1.538 -11.430
   22    HB   ILE   3           HB       ILE   3  -4.660   1.664  -9.056
   23   1HG1  ILE   3          2HG1      ILE   3  -6.648   3.896  -8.714
   24   2HG1  ILE   3          1HG1      ILE   3  -7.084   2.232  -8.344
   25   1HG2  ILE   3          1HG2      ILE   3  -3.793   3.226 -10.799
   26   2HG2  ILE   3          2HG2      ILE   3  -3.723   3.861  -9.155
   27   3HG2  ILE   3          3HG2      ILE   3  -4.986   4.408 -10.258
   28   1HD1  ILE   3          1HD1      ILE   3  -4.570   3.009  -7.129
   29   2HD1  ILE   3          2HD1      ILE   3  -6.006   2.283  -6.408
   30   3HD1  ILE   3          3HD1      ILE   3  -5.917   4.030  -6.627
   31    H    PHE   4           H        PHE   4  -5.089  -0.494 -10.216
   32    HA   PHE   4           HA       PHE   4  -7.681  -1.573  -9.316
   33   1HB   PHE   4          2HB       PHE   4  -6.111  -2.421 -11.534
   34   2HB   PHE   4          1HB       PHE   4  -6.013  -3.681 -10.310
   35    HD1  PHE   4           1HD      PHE   4  -7.586  -3.036 -13.165
   36    HD2  PHE   4           2HD      PHE   4  -8.600  -3.771  -9.096
   37    HE1  PHE   4           1HE      PHE   4  -9.800  -3.866 -13.870
   38    HE2  PHE   4           2HE      PHE   4 -10.809  -4.600  -9.796
   39    HZ   PHE   4           HZ       PHE   4 -11.410  -4.653 -12.178
   40    H    VAL   5           H        VAL   5  -7.666  -2.468  -7.336
   41    HA   VAL   5           HA       VAL   5  -5.134  -3.447  -6.241
   42    HB   VAL   5           HB       VAL   5  -5.687  -2.326  -4.047
   43   1HG1  VAL   5          1HG1      VAL   5  -5.069  -0.459  -6.335
   44   2HG1  VAL   5          2HG1      VAL   5  -3.915  -1.577  -5.612
   45   3HG1  VAL   5          3HG1      VAL   5  -4.592  -0.267  -4.646
   46   1HG2  VAL   5          1HG2      VAL   5  -7.561  -0.775  -5.825
   47   2HG2  VAL   5          2HG2      VAL   5  -7.046  -0.248  -4.222
   48   3HG2  VAL   5          3HG2      VAL   5  -7.974  -1.735  -4.406
   49    H    LYS   6           H        LYS   6  -5.370  -5.312  -5.220
   50    HA   LYS   6           HA       LYS   6  -8.050  -6.348  -4.773
   51   1HB   LYS   6          2HB       LYS   6  -5.760  -7.539  -5.674
   52   2HB   LYS   6          1HB       LYS   6  -5.764  -8.035  -3.987
   53   1HG   LYS   6          2HG       LYS   6  -7.269  -9.591  -4.416
   54   2HG   LYS   6          1HG       LYS   6  -8.385  -8.379  -5.046
   55   1HD   LYS   6          2HD       LYS   6  -8.158  -9.501  -6.983
   56   2HD   LYS   6          1HD       LYS   6  -6.640  -8.611  -7.115
   57   1HE   LYS   6          2HE       LYS   6  -6.367 -11.024  -7.532
   58   2HE   LYS   6          1HE       LYS   6  -5.426 -10.465  -6.149
   59   1HZ   LYS   6          1HZ       LYS   6  -6.374 -12.269  -5.202
   60   2HZ   LYS   6          2HZ       LYS   6  -7.712 -12.265  -6.236
   61   3HZ   LYS   6          3HZ       LYS   6  -7.656 -11.202  -4.928
   62    H    THR   7           H        THR   7  -9.013  -6.549  -2.874
   63    HA   THR   7           HA       THR   7  -7.640  -5.565  -0.504
   64    HB   THR   7           HB       THR   7  -9.865  -5.538   0.521
   65    HG1  THR   7           1HG      THR   7 -10.449  -7.423  -1.084
   66   1HG2  THR   7          1HG2      THR   7 -10.555  -3.681  -0.504
   67   2HG2  THR   7          2HG2      THR   7 -10.583  -4.438  -2.094
   68   3HG2  THR   7          3HG2      THR   7  -9.063  -3.855  -1.425
   69    H    LEU   8           H        LEU   8  -8.706  -6.787   1.605
   70    HA   LEU   8           HA       LEU   8  -7.413  -9.346   1.568
   71   1HB   LEU   8          2HB       LEU   8  -7.324  -7.831   3.503
   72   2HB   LEU   8          1HB       LEU   8  -9.053  -8.021   3.727
   73    HG   LEU   8           HG       LEU   8  -7.968 -10.631   3.718
   74   1HD1  LEU   8          1HD1      LEU   8  -5.896 -10.424   4.488
   75   2HD1  LEU   8          2HD1      LEU   8  -6.593  -9.802   5.983
   76   3HD1  LEU   8          3HD1      LEU   8  -6.085  -8.685   4.716
   77   1HD2  LEU   8          1HD2      LEU   8  -8.614 -10.444   6.184
   78   2HD2  LEU   8          2HD2      LEU   8  -9.880 -10.167   4.988
   79   3HD2  LEU   8          3HD2      LEU   8  -9.116  -8.799   5.796
   80    H    THR   9           H        THR   9 -10.641  -8.211   1.143
   81    HA   THR   9           HA       THR   9 -11.834 -10.789   1.730
   82    HB   THR   9           HB       THR   9 -13.958  -9.655   1.012
   83    HG1  THR   9           1HG      THR   9 -12.554  -7.230   1.074
   84   1HG2  THR   9          1HG2      THR   9 -14.116  -9.249   3.173
   85   2HG2  THR   9          2HG2      THR   9 -13.381  -7.674   2.873
   86   3HG2  THR   9          3HG2      THR   9 -12.372  -9.049   3.327
   87    H    GLY  10           H        GLY  10 -10.280  -9.382  -0.898
   88   1HA   GLY  10          2HA       GLY  10  -9.863 -10.612  -2.888
   89   2HA   GLY  10          1HA       GLY  10 -11.408 -11.422  -2.674
   90    H    ALA  11           H        ALA  11 -12.298  -8.485  -1.977
   91    HA   ALA  11           HA       ALA  11 -13.325  -7.961  -4.630
   92   1HB   ALA  11          1HB       ALA  11 -14.641  -7.777  -2.453
   93   2HB   ALA  11          2HB       ALA  11 -14.831  -6.470  -3.621
   94   3HB   ALA  11          3HB       ALA  11 -13.798  -6.249  -2.210
   95    H    THR  12           H        THR  12 -12.061  -6.912  -6.046
   96    HA   THR  12           HA       THR  12 -10.015  -5.076  -5.259
   97    HB   THR  12           HB       THR  12  -9.689  -4.739  -7.660
   98    HG1  THR  12           1HG      THR  12 -12.246  -5.797  -7.753
   99   1HG2  THR  12          1HG2      THR  12  -8.581  -6.677  -7.072
  100   2HG2  THR  12          2HG2      THR  12  -9.606  -7.198  -8.410
  101   3HG2  THR  12          3HG2      THR  12 -10.075  -7.556  -6.748
  102    H    ILE  13           H        ILE  13 -10.060  -2.884  -5.206
  103    HA   ILE  13           HA       ILE  13 -12.686  -1.636  -5.676
  104    HB   ILE  13           HB       ILE  13 -11.870   0.182  -4.165
  105   1HG1  ILE  13          2HG1      ILE  13  -9.642  -1.782  -3.592
  106   2HG1  ILE  13          1HG1      ILE  13  -9.451  -0.252  -4.442
  107   1HG2  ILE  13          1HG2      ILE  13 -11.877  -1.415  -2.083
  108   2HG2  ILE  13          2HG2      ILE  13 -12.289  -2.634  -3.289
  109   3HG2  ILE  13          3HG2      ILE  13 -13.321  -1.218  -3.076
  110   1HD1  ILE  13          1HD1      ILE  13  -8.715  -0.039  -2.161
  111   2HD1  ILE  13          2HD1      ILE  13 -10.273  -0.617  -1.572
  112   3HD1  ILE  13          3HD1      ILE  13 -10.165   0.931  -2.409
  113    H    THR  14           H        THR  14 -12.910  -0.064  -7.114
  114    HA   THR  14           HA       THR  14 -10.591   0.755  -8.687
  115    HB   THR  14           HB       THR  14 -13.498   1.400  -9.212
  116    HG1  THR  14           1HG      THR  14 -12.130  -0.737 -10.432
  117   1HG2  THR  14          1HG2      THR  14 -12.632   1.278 -11.613
  118   2HG2  THR  14          2HG2      THR  14 -11.028   1.437 -10.900
  119   3HG2  THR  14          3HG2      THR  14 -12.228   2.707 -10.661
  120    H    LEU  15           H        LEU  15  -9.647   2.693  -8.387
  121    HA   LEU  15           HA       LEU  15 -11.249   4.876  -7.288
  122   1HB   LEU  15          2HB       LEU  15  -9.900   3.566  -5.526
  123   2HB   LEU  15          1HB       LEU  15  -8.503   4.368  -6.219
  124    HG   LEU  15           HG       LEU  15 -10.556   6.305  -5.661
  125   1HD1  LEU  15          1HD1      LEU  15 -11.299   5.814  -3.638
  126   2HD1  LEU  15          2HD1      LEU  15  -9.674   5.447  -3.061
  127   3HD1  LEU  15          3HD1      LEU  15 -10.630   4.196  -3.853
  128   1HD2  LEU  15          1HD2      LEU  15  -8.434   7.158  -5.803
  129   2HD2  LEU  15          2HD2      LEU  15  -7.707   5.798  -4.957
  130   3HD2  LEU  15          3HD2      LEU  15  -8.607   7.019  -4.057
  131    H    GLU  16           H        GLU  16 -10.144   6.949  -7.336
  132    HA   GLU  16           HA       GLU  16  -8.498   7.247  -9.760
  133   1HB   GLU  16          2HB       GLU  16 -10.863   8.358  -9.491
  134   2HB   GLU  16          1HB       GLU  16  -9.985   9.522  -8.508
  135   1HG   GLU  16          2HG       GLU  16  -8.549   9.119 -10.933
  136   2HG   GLU  16          1HG       GLU  16 -10.241   9.433 -11.317
  137    H    VAL  17           H        VAL  17  -6.508   8.172  -9.576
  138    HA   VAL  17           HA       VAL  17  -5.564   8.732  -6.902
  139    HB   VAL  17           HB       VAL  17  -3.333   8.891  -7.970
  140   1HG1  VAL  17          1HG1      VAL  17  -4.488   6.406  -9.104
  141   2HG1  VAL  17          2HG1      VAL  17  -4.685   6.676  -7.371
  142   3HG1  VAL  17          3HG1      VAL  17  -3.071   6.634  -8.080
  143   1HG2  VAL  17          1HG2      VAL  17  -3.488   7.909 -10.447
  144   2HG2  VAL  17          2HG2      VAL  17  -3.477   9.640 -10.110
  145   3HG2  VAL  17          3HG2      VAL  17  -5.001   8.810 -10.414
  146    H    GLU  18           H        GLU  18  -4.069  10.540  -6.531
  147    HA   GLU  18           HA       GLU  18  -4.501  12.961  -8.079
  148   1HB   GLU  18          2HB       GLU  18  -6.293  12.597  -6.171
  149   2HB   GLU  18          1HB       GLU  18  -4.990  13.186  -5.148
  150   1HG   GLU  18          2HG       GLU  18  -5.852  15.194  -5.607
  151   2HG   GLU  18          1HG       GLU  18  -4.954  15.036  -7.116
  152    H    SER  19           H        SER  19  -2.965  14.589  -7.655
  153    HA   SER  19           HA       SER  19  -0.408  13.633  -6.907
  154   1HB   SER  19          2HB       SER  19  -1.398  15.901  -8.200
  155   2HB   SER  19          1HB       SER  19  -0.664  16.533  -6.727
  156    HG   SER  19           HG       SER  19   0.836  14.626  -8.037
  157    H    SER  20           H        SER  20  -2.878  15.519  -5.317
  158    HA   SER  20           HA       SER  20  -1.345  15.899  -2.891
  159   1HB   SER  20          2HB       SER  20  -4.295  16.321  -2.909
  160   2HB   SER  20          1HB       SER  20  -3.022  17.318  -2.208
  161    HG   SER  20           HG       SER  20  -3.878  18.357  -4.003
  162    H    ASP  21           H        ASP  21  -2.422  13.177  -4.051
  163    HA   ASP  21           HA       ASP  21  -3.943  12.195  -1.798
  164   1HB   ASP  21          2HB       ASP  21  -3.585  11.421  -4.500
  165   2HB   ASP  21          1HB       ASP  21  -3.022  10.087  -3.500
  166    H    THR  22           H        THR  22  -2.835  11.874   0.044
  167    HA   THR  22           HA       THR  22  -0.250  10.480  -0.148
  168    HB   THR  22           HB       THR  22  -1.042  12.144   2.219
  169    HG1  THR  22           1HG      THR  22   0.360  13.171   0.006
  170   1HG2  THR  22          1HG2      THR  22   1.192  10.636   1.663
  171   2HG2  THR  22          2HG2      THR  22   1.045  11.885   2.894
  172   3HG2  THR  22          3HG2      THR  22   1.696  12.284   1.304
  173    H    ILE  23           H        ILE  23   0.237   9.418   2.122
  174    HA   ILE  23           HA       ILE  23  -1.574   7.304   2.434
  175    HB   ILE  23           HB       ILE  23   0.522   8.227   4.410
  176   1HG1  ILE  23          2HG1      ILE  23   1.484   7.865   2.187
  177   2HG1  ILE  23          1HG1      ILE  23   1.992   6.590   3.288
  178   1HG2  ILE  23          1HG2      ILE  23   0.308   6.231   5.509
  179   2HG2  ILE  23          2HG2      ILE  23  -0.276   5.383   4.077
  180   3HG2  ILE  23          3HG2      ILE  23  -1.357   6.447   4.973
  181   1HD1  ILE  23          1HD1      ILE  23   1.345   5.863   0.973
  182   2HD1  ILE  23          2HD1      ILE  23  -0.313   6.285   1.393
  183   3HD1  ILE  23          3HD1      ILE  23   0.531   5.027   2.295
  184    H    ASP  24           H        ASP  24  -1.460  10.456   3.865
  185    HA   ASP  24           HA       ASP  24  -3.133   9.826   6.123
  186   1HB   ASP  24          2HB       ASP  24  -1.554  12.033   5.267
  187   2HB   ASP  24          1HB       ASP  24  -3.199  12.615   5.506
  188    H    ASN  25           H        ASN  25  -3.557  10.991   2.867
  189    HA   ASN  25           HA       ASN  25  -6.148  12.005   2.977
  190   1HB   ASN  25          2HB       ASN  25  -4.559  10.692   0.789
  191   2HB   ASN  25          1HB       ASN  25  -6.228  11.174   0.515
  192   1HD2  ASN  25          1HD2      ASN  25  -6.610  13.214  -0.063
  193   2HD2  ASN  25          2HD2      ASN  25  -5.459  14.500  -0.008
  194    H    VAL  26           H        VAL  26  -5.035   8.668   2.687
  195    HA   VAL  26           HA       VAL  26  -7.478   7.449   2.080
  196    HB   VAL  26           HB       VAL  26  -5.352   6.206   3.826
  197   1HG1  VAL  26          1HG1      VAL  26  -7.698   5.259   2.319
  198   2HG1  VAL  26          2HG1      VAL  26  -6.928   4.593   3.759
  199   3HG1  VAL  26          3HG1      VAL  26  -6.243   4.274   2.164
  200   1HG2  VAL  26          1HG2      VAL  26  -5.377   6.751   0.881
  201   2HG2  VAL  26          2HG2      VAL  26  -4.535   5.340   1.523
  202   3HG2  VAL  26          3HG2      VAL  26  -4.065   6.960   2.040
  203    H    LYS  27           H        LYS  27  -6.004   8.185   5.224
  204    HA   LYS  27           HA       LYS  27  -7.975   7.008   6.831
  205   1HB   LYS  27          2HB       LYS  27  -6.013   9.233   7.355
  206   2HB   LYS  27          1HB       LYS  27  -7.110   8.635   8.593
  207   1HG   LYS  27          2HG       LYS  27  -6.087   6.540   8.663
  208   2HG   LYS  27          1HG       LYS  27  -5.284   6.776   7.110
  209   1HD   LYS  27          2HD       LYS  27  -3.570   7.065   8.659
  210   2HD   LYS  27          1HD       LYS  27  -4.066   8.719   8.291
  211   1HE   LYS  27          2HE       LYS  27  -5.366   7.294  10.561
  212   2HE   LYS  27          1HE       LYS  27  -3.728   7.906  10.776
  213   1HZ   LYS  27          1HZ       LYS  27  -4.937   9.701  11.444
  214   2HZ   LYS  27          2HZ       LYS  27  -6.232   9.377  10.406
  215   3HZ   LYS  27          3HZ       LYS  27  -4.815  10.068   9.796
  216    H    SER  28           H        SER  28  -7.624  10.358   5.702
  217    HA   SER  28           HA       SER  28  -9.881  11.386   7.028
  218   1HB   SER  28          2HB       SER  28  -9.219  12.608   4.422
  219   2HB   SER  28          1HB       SER  28  -9.349  13.348   6.016
  220    HG   SER  28           HG       SER  28  -7.164  11.841   5.011
  221    H    LYS  29           H        LYS  29  -9.487  10.247   3.682
  222    HA   LYS  29           HA       LYS  29 -12.046  10.732   2.771
  223   1HB   LYS  29          2HB       LYS  29  -9.984   8.685   2.022
  224   2HB   LYS  29          1HB       LYS  29 -11.559   8.692   1.239
  225   1HG   LYS  29          2HG       LYS  29 -10.757  11.328   1.090
  226   2HG   LYS  29          1HG       LYS  29  -9.266  10.420   0.824
  227   1HD   LYS  29          2HD       LYS  29  -9.907   9.967  -1.254
  228   2HD   LYS  29          1HD       LYS  29 -11.343   9.148  -0.637
  229   1HE   LYS  29          2HE       LYS  29 -11.110  12.111  -1.138
  230   2HE   LYS  29          1HE       LYS  29 -11.876  10.956  -2.228
  231   1HZ   LYS  29          1HZ       LYS  29 -13.078  12.317  -0.175
  232   2HZ   LYS  29          2HZ       LYS  29 -12.913  10.740   0.415
  233   3HZ   LYS  29          3HZ       LYS  29 -13.728  11.017  -1.040
  234    H    ILE  30           H        ILE  30 -11.264   8.572   5.271
  235    HA   ILE  30           HA       ILE  30 -13.359   6.692   4.699
  236    HB   ILE  30           HB       ILE  30 -11.982   7.124   7.353
  237   1HG1  ILE  30          2HG1      ILE  30 -11.128   5.214   5.171
  238   2HG1  ILE  30          1HG1      ILE  30 -10.379   6.784   5.431
  239   1HG2  ILE  30          1HG2      ILE  30 -12.712   4.983   7.925
  240   2HG2  ILE  30          2HG2      ILE  30 -13.045   4.549   6.250
  241   3HG2  ILE  30          3HG2      ILE  30 -14.097   5.683   7.090
  242   1HD1  ILE  30          1HD1      ILE  30  -9.035   5.874   6.914
  243   2HD1  ILE  30          2HD1      ILE  30  -9.819   4.315   6.690
  244   3HD1  ILE  30          3HD1      ILE  30 -10.420   5.439   7.910
  245    H    GLN  31           H        GLN  31 -14.162   9.443   4.659
  246    HA   GLN  31           HA       GLN  31 -15.526  10.050   7.101
  247   1HB   GLN  31          2HB       GLN  31 -14.798  11.469   4.827
  248   2HB   GLN  31          1HB       GLN  31 -16.554  11.407   4.739
  249   1HG   GLN  31          2HG       GLN  31 -15.872  13.405   5.888
  250   2HG   GLN  31          1HG       GLN  31 -16.675  12.322   7.024
  251   1HE2  GLN  31          1HE2      GLN  31 -15.349  11.098   8.484
  252   2HE2  GLN  31          2HE2      GLN  31 -13.814  11.716   8.976
  253    H    ALA  32           H        ALA  32 -16.092   7.529   5.353
  254    HA   ALA  32           HA       ALA  32 -19.010   7.750   5.574
  255   1HB   ALA  32          1HB       ALA  32 -17.395   6.727   3.271
  256   2HB   ALA  32          2HB       ALA  32 -18.722   7.888   3.273
  257   3HB   ALA  32          3HB       ALA  32 -19.048   6.176   3.545
  258    H    ALA  33           H        ALA  33 -18.276   6.773   7.698
  259    HA   ALA  33           HA       ALA  33 -18.339   4.986   9.114
  260   1HB   ALA  33          1HB       ALA  33 -19.596   3.962   6.680
  261   2HB   ALA  33          2HB       ALA  33 -20.081   3.797   8.368
  262   3HB   ALA  33          3HB       ALA  33 -18.867   2.712   7.690
  263    HA   PRO  34           HA       PRO  34 -14.205   3.479   8.443
  264   1HB   PRO  34          2HB       PRO  34 -13.705   2.546  10.902
  265   2HB   PRO  34          1HB       PRO  34 -13.843   4.280  10.580
  266   1HG   PRO  34          2HG       PRO  34 -15.830   2.413  11.795
  267   2HG   PRO  34          1HG       PRO  34 -15.457   4.086  12.229
  268   1HD   PRO  34          2HD       PRO  34 -17.604   3.284  10.671
  269   2HD   PRO  34          1HD       PRO  34 -16.917   4.918  10.691
  270    H    GLY  35           H        GLY  35 -15.660   1.214  10.763
  271   1HA   GLY  35          2HA       GLY  35 -16.314  -1.003  10.439
  272   2HA   GLY  35          1HA       GLY  35 -15.700  -0.922   8.794
  273    H    ILE  36           H        ILE  36 -13.142  -0.132   9.148
  274    HA   ILE  36           HA       ILE  36 -11.921  -2.130  10.926
  275    HB   ILE  36           HB       ILE  36 -10.193  -2.495   9.120
  276   1HG1  ILE  36          2HG1      ILE  36 -10.944  -0.479   7.769
  277   2HG1  ILE  36          1HG1      ILE  36 -10.669  -1.956   6.856
  278   1HG2  ILE  36          1HG2      ILE  36 -12.524  -3.798   9.677
  279   2HG2  ILE  36          2HG2      ILE  36 -11.235  -4.403   8.637
  280   3HG2  ILE  36          3HG2      ILE  36 -12.626  -3.583   7.930
  281   1HD1  ILE  36          1HD1      ILE  36 -12.775  -2.015   6.132
  282   2HD1  ILE  36          2HD1      ILE  36 -12.872  -0.345   6.688
  283   3HD1  ILE  36          3HD1      ILE  36 -13.433  -1.654   7.726
  284    HA   PRO  37           HA       PRO  37  -9.159   1.094  12.159
  285   1HB   PRO  37          2HB       PRO  37  -6.835  -0.692  11.923
  286   2HB   PRO  37          1HB       PRO  37  -7.514   0.071  13.361
  287   1HG   PRO  37          2HG       PRO  37  -7.738  -2.574  12.918
  288   2HG   PRO  37          1HG       PRO  37  -9.012  -1.646  13.727
  289   1HD   PRO  37          2HD       PRO  37  -8.881  -2.624  10.902
  290   2HD   PRO  37          1HD       PRO  37 -10.264  -2.570  12.016
  291    HA   PRO  38           HA       PRO  38  -7.666   2.379   8.093
  292   1HB   PRO  38          2HB       PRO  38  -7.143   4.963   8.752
  293   2HB   PRO  38          1HB       PRO  38  -8.766   4.364   8.413
  294   1HG   PRO  38          2HG       PRO  38  -7.446   4.851  11.047
  295   2HG   PRO  38          1HG       PRO  38  -9.104   5.223  10.539
  296   1HD   PRO  38          2HD       PRO  38  -8.488   3.056  12.047
  297   2HD   PRO  38          1HD       PRO  38  -9.831   3.066  10.887
  298    H    ASP  39           H        ASP  39  -5.962   2.679  11.137
  299    HA   ASP  39           HA       ASP  39  -3.459   3.399   9.925
  300   1HB   ASP  39          2HB       ASP  39  -4.434   3.706  12.418
  301   2HB   ASP  39          1HB       ASP  39  -3.507   2.225  12.642
  302    H    GLN  40           H        GLN  40  -5.236   0.599  10.028
  303    HA   GLN  40           HA       GLN  40  -2.916  -1.172  10.184
  304   1HB   GLN  40          2HB       GLN  40  -5.259  -1.564  11.310
  305   2HB   GLN  40          1HB       GLN  40  -5.715  -2.135   9.712
  306   1HG   GLN  40          2HG       GLN  40  -4.262  -3.941   9.805
  307   2HG   GLN  40          1HG       GLN  40  -3.281  -3.210  11.075
  308   1HE2  GLN  40          1HE2      GLN  40  -4.464  -5.842  11.003
  309   2HE2  GLN  40          2HE2      GLN  40  -5.520  -5.950  12.367
  310    H    GLN  41           H        GLN  41  -3.792   0.750   7.928
  311    HA   GLN  41           HA       GLN  41  -3.748  -1.259   5.770
  312   1HB   GLN  41          2HB       GLN  41  -5.104   1.400   5.995
  313   2HB   GLN  41          1HB       GLN  41  -4.633   0.806   4.409
  314   1HG   GLN  41          2HG       GLN  41  -6.118  -0.971   4.490
  315   2HG   GLN  41          1HG       GLN  41  -6.230  -0.923   6.247
  316   1HE2  GLN  41          1HE2      GLN  41  -7.255   0.608   3.270
  317   2HE2  GLN  41          2HE2      GLN  41  -8.607   1.444   3.948
  318    H    GLU  42           H        GLU  42  -2.101  -1.261   4.435
  319    HA   GLU  42           HA       GLU  42  -0.491   1.089   3.967
  320   1HB   GLU  42          2HB       GLU  42   0.418   0.062   6.058
  321   2HB   GLU  42          1HB       GLU  42   0.808  -1.376   5.122
  322   1HG   GLU  42          2HG       GLU  42   2.057   0.366   3.605
  323   2HG   GLU  42          1HG       GLU  42   2.055   1.318   5.086
  324    H    LEU  43           H        LEU  43   1.055   0.789   2.200
  325    HA   LEU  43           HA       LEU  43   0.128  -1.276   0.351
  326   1HB   LEU  43          2HB       LEU  43   1.729   1.255   0.034
  327   2HB   LEU  43          1HB       LEU  43   1.726   0.035  -1.228
  328    HG   LEU  43           HG       LEU  43  -0.820   1.254  -0.181
  329   1HD1  LEU  43          1HD1      LEU  43  -0.170   3.195  -1.064
  330   2HD1  LEU  43          2HD1      LEU  43  -0.408   2.413  -2.627
  331   3HD1  LEU  43          3HD1      LEU  43   1.198   2.464  -1.902
  332   1HD2  LEU  43          1HD2      LEU  43  -1.837   0.355  -2.085
  333   2HD2  LEU  43          2HD2      LEU  43  -0.765  -0.924  -1.512
  334   3HD2  LEU  43          3HD2      LEU  43  -0.294   0.074  -2.878
  335    H    ILE  44           H        ILE  44   1.480  -2.882  -0.410
  336    HA   ILE  44           HA       ILE  44   4.256  -2.876   0.477
  337    HB   ILE  44           HB       ILE  44   2.512  -5.249   1.087
  338   1HG1  ILE  44          2HG1      ILE  44   3.442  -4.020   3.466
  339   2HG1  ILE  44          1HG1      ILE  44   2.699  -2.761   2.498
  340   1HG2  ILE  44          1HG2      ILE  44   4.935  -5.614   0.724
  341   2HG2  ILE  44          2HG2      ILE  44   4.402  -6.018   2.353
  342   3HG2  ILE  44          3HG2      ILE  44   5.265  -4.509   2.053
  343   1HD1  ILE  44          1HD1      ILE  44   1.139  -3.840   4.054
  344   2HD1  ILE  44          2HD1      ILE  44   1.386  -5.359   3.194
  345   3HD1  ILE  44          3HD1      ILE  44   0.654  -3.986   2.366
  346    H    PHE  45           H        PHE  45   5.599  -3.714  -1.001
  347    HA   PHE  45           HA       PHE  45   4.460  -4.905  -3.388
  348   1HB   PHE  45          2HB       PHE  45   6.899  -3.498  -2.721
  349   2HB   PHE  45          1HB       PHE  45   7.240  -4.965  -3.632
  350    HD1  PHE  45           1HD      PHE  45   6.008  -1.593  -3.757
  351    HD2  PHE  45           2HD      PHE  45   6.147  -5.285  -5.870
  352    HE1  PHE  45           1HE      PHE  45   5.402  -0.423  -5.833
  353    HE2  PHE  45           2HE      PHE  45   5.545  -4.119  -7.949
  354    HZ   PHE  45           HZ       PHE  45   5.167  -1.685  -7.933
  355    H    ALA  46           H        ALA  46   4.495  -6.338  -0.754
  356    HA   ALA  46           HA       ALA  46   4.671  -8.509  -0.069
  357   1HB   ALA  46          1HB       ALA  46   4.389  -9.999  -1.696
  358   2HB   ALA  46          2HB       ALA  46   6.025  -9.728  -2.297
  359   3HB   ALA  46          3HB       ALA  46   4.698  -8.716  -2.868
  360    H    GLY  47           H        GLY  47   7.387  -7.067  -1.717
  361   1HA   GLY  47          2HA       GLY  47   9.178  -8.174   0.341
  362   2HA   GLY  47          1HA       GLY  47   9.651  -8.167  -1.359
  363    H    LYS  48           H        LYS  48   7.885  -5.477  -1.157
  364    HA   LYS  48           HA       LYS  48  10.079  -3.809  -0.119
  365   1HB   LYS  48          2HB       LYS  48   9.787  -3.940  -2.715
  366   2HB   LYS  48          1HB       LYS  48   8.388  -2.919  -2.433
  367   1HG   LYS  48          2HG       LYS  48  10.096  -1.425  -2.927
  368   2HG   LYS  48          1HG       LYS  48   9.971  -1.377  -1.168
  369   1HD   LYS  48          2HD       LYS  48  12.061  -2.106  -0.916
  370   2HD   LYS  48          1HD       LYS  48  11.815  -3.430  -2.057
  371   1HE   LYS  48          2HE       LYS  48  13.185  -2.338  -3.442
  372   2HE   LYS  48          1HE       LYS  48  11.894  -1.153  -3.644
  373   1HZ   LYS  48          1HZ       LYS  48  13.535   0.211  -2.937
  374   2HZ   LYS  48          2HZ       LYS  48  14.329  -0.989  -2.048
  375   3HZ   LYS  48          3HZ       LYS  48  12.945  -0.247  -1.419
  376    H    GLN  49           H        GLN  49   9.302  -2.867   1.661
  377    HA   GLN  49           HA       GLN  49   6.461  -2.390   1.976
  378   1HB   GLN  49          2HB       GLN  49   8.824  -2.009   3.814
  379   2HB   GLN  49          1HB       GLN  49   7.178  -1.582   4.261
  380   1HG   GLN  49          2HG       GLN  49   6.822  -4.124   3.427
  381   2HG   GLN  49          1HG       GLN  49   8.465  -4.209   4.059
  382   1HE2  GLN  49          1HE2      GLN  49   5.357  -4.690   4.856
  383   2HE2  GLN  49          2HE2      GLN  49   5.418  -4.400   6.558
  384    H    LEU  50           H        LEU  50   5.443  -0.480   1.777
  385    HA   LEU  50           HA       LEU  50   6.906   1.760   0.746
  386   1HB   LEU  50          2HB       LEU  50   4.148   0.881   0.901
  387   2HB   LEU  50          1HB       LEU  50   4.300   2.587   1.271
  388    HG   LEU  50           HG       LEU  50   3.836   2.078  -1.129
  389   1HD1  LEU  50          1HD1      LEU  50   5.408   4.013  -0.024
  390   2HD1  LEU  50          2HD1      LEU  50   4.869   3.979  -1.702
  391   3HD1  LEU  50          3HD1      LEU  50   6.463   3.355  -1.275
  392   1HD2  LEU  50          1HD2      LEU  50   6.224   0.447  -0.747
  393   2HD2  LEU  50          2HD2      LEU  50   6.297   1.482  -2.172
  394   3HD2  LEU  50          3HD2      LEU  50   4.963   0.345  -1.973
  395    H    GLU  51           H        GLU  51   6.514   3.951   1.553
  396    HA   GLU  51           HA       GLU  51   6.815   4.011   4.474
  397   1HB   GLU  51          2HB       GLU  51   7.663   5.880   2.275
  398   2HB   GLU  51          1HB       GLU  51   7.617   6.407   3.952
  399   1HG   GLU  51          2HG       GLU  51   9.127   4.476   4.492
  400   2HG   GLU  51          1HG       GLU  51   9.298   4.223   2.756
  401    H    ASP  52           H        ASP  52   5.242   4.786   5.711
  402    HA   ASP  52           HA       ASP  52   2.747   5.588   4.718
  403   1HB   ASP  52          2HB       ASP  52   3.980   5.204   7.312
  404   2HB   ASP  52          1HB       ASP  52   2.918   6.609   7.319
  405    H    GLY  53           H        GLY  53   5.593   7.434   5.621
  406   1HA   GLY  53          2HA       GLY  53   4.179   9.966   5.465
  407   2HA   GLY  53          1HA       GLY  53   5.904   9.752   5.742
  408    H    ARG  54           H        ARG  54   4.485   8.029   3.102
  409    HA   ARG  54           HA       ARG  54   5.925   9.777   1.259
  410   1HB   ARG  54          2HB       ARG  54   5.229   6.913   1.308
  411   2HB   ARG  54          1HB       ARG  54   5.147   7.676  -0.270
  412   1HG   ARG  54          2HG       ARG  54   7.540   7.688   1.559
  413   2HG   ARG  54          1HG       ARG  54   7.325   6.655   0.144
  414   1HD   ARG  54          2HD       ARG  54   7.767   8.323  -1.306
  415   2HD   ARG  54          1HD       ARG  54   6.974   9.543  -0.314
  416    HE   ARG  54           HE       ARG  54   9.008  10.067   0.573
  417   1HH1  ARG  54          1HH1      ARG  54   9.223   6.891  -0.854
  418   2HH1  ARG  54          2HH1      ARG  54  10.927   6.747  -0.585
  419   1HH2  ARG  54          1HH2      ARG  54  11.253   9.884   0.920
  420   2HH2  ARG  54          2HH2      ARG  54  12.083   8.450   0.413
  421    H    THR  55           H        THR  55   4.988  10.526  -0.677
  422    HA   THR  55           HA       THR  55   2.056  10.714  -0.560
  423    HB   THR  55           HB       THR  55   3.944  12.620  -1.945
  424    HG1  THR  55           1HG      THR  55   3.147  13.926   0.001
  425   1HG2  THR  55          1HG2      THR  55   2.187  14.099  -2.188
  426   2HG2  THR  55          2HG2      THR  55   1.190  13.267  -1.003
  427   3HG2  THR  55          3HG2      THR  55   1.458  12.552  -2.581
  428    H    LEU  56           H        LEU  56   1.148  11.306  -2.897
  429    HA   LEU  56           HA       LEU  56   1.501   9.022  -4.480
  430   1HB   LEU  56          2HB       LEU  56  -0.406  10.908  -4.350
  431   2HB   LEU  56          1HB       LEU  56   0.443  11.464  -5.781
  432    HG   LEU  56           HG       LEU  56   0.149   8.754  -6.241
  433   1HD1  LEU  56          1HD1      LEU  56  -2.518   9.728  -5.278
  434   2HD1  LEU  56          2HD1      LEU  56  -1.439   8.798  -4.237
  435   3HD1  LEU  56          3HD1      LEU  56  -2.041   8.098  -5.740
  436   1HD2  LEU  56          1HD2      LEU  56  -1.340   9.411  -7.979
  437   2HD2  LEU  56          2HD2      LEU  56  -0.134  10.677  -7.799
  438   3HD2  LEU  56          3HD2      LEU  56  -1.744  10.905  -7.149
  439    H    SER  57           H        SER  57   2.566  12.369  -5.043
  440    HA   SER  57           HA       SER  57   3.827  11.987  -7.481
  441   1HB   SER  57          2HB       SER  57   4.289  13.908  -5.224
  442   2HB   SER  57          1HB       SER  57   5.340  13.931  -6.641
  443    HG   SER  57           HG       SER  57   3.805  15.189  -7.379
  444    H    ASP  58           H        ASP  58   4.925  11.151  -4.273
  445    HA   ASP  58           HA       ASP  58   7.673  10.786  -4.956
  446   1HB   ASP  58          2HB       ASP  58   5.967  10.331  -2.607
  447   2HB   ASP  58          1HB       ASP  58   7.266   9.157  -2.777
  448    H    TYR  59           H        TYR  59   4.815   8.865  -5.300
  449    HA   TYR  59           HA       TYR  59   6.408   6.688  -6.468
  450   1HB   TYR  59          2HB       TYR  59   5.131   6.451  -4.025
  451   2HB   TYR  59          1HB       TYR  59   3.959   5.770  -5.148
  452    HD1  TYR  59           1HD      TYR  59   7.152   5.307  -3.501
  453    HD2  TYR  59           2HD      TYR  59   4.585   3.831  -6.554
  454    HE1  TYR  59           1HE      TYR  59   8.423   3.194  -3.541
  455    HE2  TYR  59           2HE      TYR  59   5.848   1.722  -6.602
  456    HH   TYR  59           HH       TYR  59   8.847   1.333  -5.199
  457    H    ASN  60           H        ASN  60   5.095   8.850  -7.721
  458    HA   ASN  60           HA       ASN  60   2.581   7.955  -8.793
  459   1HB   ASN  60          2HB       ASN  60   3.961  10.416  -8.622
  460   2HB   ASN  60          1HB       ASN  60   3.785  10.067 -10.339
  461   1HD2  ASN  60          1HD2      ASN  60   1.623   9.595 -11.120
  462   2HD2  ASN  60          2HD2      ASN  60   0.268  10.333 -10.344
  463    H    ILE  61           H        ILE  61   2.973   6.058  -9.791
  464    HA   ILE  61           HA       ILE  61   5.003   5.835 -11.858
  465    HB   ILE  61           HB       ILE  61   4.034   3.495 -12.105
  466   1HG1  ILE  61          2HG1      ILE  61   2.625   4.303  -9.549
  467   2HG1  ILE  61          1HG1      ILE  61   1.844   3.943 -11.085
  468   1HG2  ILE  61          1HG2      ILE  61   5.552   4.624  -9.853
  469   2HG2  ILE  61          2HG2      ILE  61   5.980   3.341 -10.985
  470   3HG2  ILE  61          3HG2      ILE  61   4.927   2.993  -9.613
  471   1HD1  ILE  61          1HD1      ILE  61   3.482   1.982  -9.503
  472   2HD1  ILE  61          2HD1      ILE  61   2.539   1.662 -10.945
  473   3HD1  ILE  61          3HD1      ILE  61   1.725   2.104  -9.449
  474    H    GLN  62           H        GLN  62   4.421   4.896 -13.959
  475    HA   GLN  62           HA       GLN  62   2.587   6.501 -15.339
  476   1HB   GLN  62          2HB       GLN  62   3.829   3.875 -16.175
  477   2HB   GLN  62          1HB       GLN  62   3.057   5.024 -17.256
  478   1HG   GLN  62          2HG       GLN  62   5.075   5.874 -17.573
  479   2HG   GLN  62          1HG       GLN  62   4.919   6.564 -15.959
  480   1HE2  GLN  62          1HE2      GLN  62   6.368   4.087 -17.892
  481   2HE2  GLN  62          2HE2      GLN  62   7.500   3.532 -16.711
  482    H    LYS  63           H        LYS  63   1.391   4.569 -17.080
  483    HA   LYS  63           HA       LYS  63  -0.955   3.870 -15.492
  484   1HB   LYS  63          2HB       LYS  63  -1.881   3.286 -17.818
  485   2HB   LYS  63          1HB       LYS  63  -1.568   4.981 -17.472
  486   1HG   LYS  63          2HG       LYS  63   0.446   4.942 -18.758
  487   2HG   LYS  63          1HG       LYS  63   0.348   3.189 -18.945
  488   1HD   LYS  63          2HD       LYS  63  -0.493   3.898 -20.966
  489   2HD   LYS  63          1HD       LYS  63  -1.974   3.733 -20.019
  490   1HE   LYS  63          2HE       LYS  63  -0.600   6.356 -19.927
  491   2HE   LYS  63          1HE       LYS  63  -1.398   5.922 -21.440
  492   1HZ   LYS  63          1HZ       LYS  63  -3.300   6.530 -20.522
  493   2HZ   LYS  63          2HZ       LYS  63  -2.553   6.827 -19.035
  494   3HZ   LYS  63          3HZ       LYS  63  -3.153   5.285 -19.385
  495    H    GLU  64           H        GLU  64  -1.887   1.767 -15.519
  496    HA   GLU  64           HA       GLU  64  -1.925  -0.511 -15.507
  497   1HB   GLU  64          2HB       GLU  64   0.123  -0.042 -17.650
  498   2HB   GLU  64          1HB       GLU  64  -0.078  -1.658 -16.993
  499   1HG   GLU  64          2HG       GLU  64  -2.298  -0.014 -18.186
  500   2HG   GLU  64          1HG       GLU  64  -1.381  -1.245 -19.053
  501    H    SER  65           H        SER  65  -1.369  -0.358 -13.347
  502    HA   SER  65           HA       SER  65   1.129  -1.642 -12.681
  503   1HB   SER  65          2HB       SER  65   0.655   1.239 -12.190
  504   2HB   SER  65          1HB       SER  65   1.320   0.321 -10.838
  505    HG   SER  65           HG       SER  65   2.475   1.012 -13.250
  506    H    THR  66           H        THR  66   0.443  -3.222 -11.429
  507    HA   THR  66           HA       THR  66  -2.005  -3.062  -9.968
  508    HB   THR  66           HB       THR  66   0.150  -5.182  -9.872
  509    HG1  THR  66           1HG      THR  66  -1.726  -4.561 -11.754
  510   1HG2  THR  66          1HG2      THR  66  -2.331  -6.367  -9.530
  511   2HG2  THR  66          2HG2      THR  66  -2.356  -4.952  -8.476
  512   3HG2  THR  66          3HG2      THR  66  -1.074  -6.153  -8.311
  513    H    LEU  67           H        LEU  67  -2.376  -2.822  -7.821
  514    HA   LEU  67           HA       LEU  67  -0.038  -2.267  -6.117
  515   1HB   LEU  67          2HB       LEU  67  -2.496  -0.729  -6.591
  516   2HB   LEU  67          1HB       LEU  67  -2.088  -0.930  -4.896
  517    HG   LEU  67           HG       LEU  67  -0.226   0.206  -6.979
  518   1HD1  LEU  67          1HD1      LEU  67  -0.929   2.138  -5.065
  519   2HD1  LEU  67          2HD1      LEU  67  -2.437   1.403  -5.613
  520   3HD1  LEU  67          3HD1      LEU  67  -1.324   2.114  -6.782
  521   1HD2  LEU  67          1HD2      LEU  67   1.357  -0.092  -5.451
  522   2HD2  LEU  67          2HD2      LEU  67   0.187  -0.759  -4.315
  523   3HD2  LEU  67          3HD2      LEU  67   0.473   0.982  -4.368
  524    H    HIS  68           H        HIS  68   0.062  -3.333  -4.158
  525    HA   HIS  68           HA       HIS  68  -2.304  -4.950  -3.454
  526   1HB   HIS  68          2HB       HIS  68   0.044  -6.000  -4.270
  527   2HB   HIS  68          1HB       HIS  68   0.354  -5.883  -2.541
  528    HD1  HIS  68           1HD      HIS  68  -2.710  -6.534  -1.784
  529    HD2  HIS  68           2HD      HIS  68  -0.203  -8.766  -4.229
  530    HE1  HIS  68           1HE      HIS  68  -3.624  -8.872  -1.733
  531    HE2  HIS  68           2HE      HIS  68  -2.049 -10.219  -3.157
  532    H    LEU  69           H        LEU  69  -3.166  -4.527  -1.518
  533    HA   LEU  69           HA       LEU  69  -1.478  -3.169   0.484
  534   1HB   LEU  69          2HB       LEU  69  -3.660  -2.107  -0.632
  535   2HB   LEU  69          1HB       LEU  69  -4.447  -3.031   0.633
  536    HG   LEU  69           HG       LEU  69  -2.556  -1.761   2.086
  537   1HD1  LEU  69          1HD1      LEU  69  -1.566  -0.219   0.789
  538   2HD1  LEU  69          2HD1      LEU  69  -3.055   0.695   1.028
  539   3HD1  LEU  69          3HD1      LEU  69  -2.841  -0.281  -0.426
  540   1HD2  LEU  69          1HD2      LEU  69  -5.385  -1.421   1.535
  541   2HD2  LEU  69          2HD2      LEU  69  -4.614   0.071   2.069
  542   3HD2  LEU  69          3HD2      LEU  69  -4.519  -1.378   3.070
  543    H    VAL  70           H        VAL  70  -1.021  -4.379   2.226
  544    HA   VAL  70           HA       VAL  70  -2.847  -6.590   2.883
  545    HB   VAL  70           HB       VAL  70   0.067  -6.450   3.630
  546   1HG1  VAL  70          1HG1      VAL  70  -0.135  -8.702   4.230
  547   2HG1  VAL  70          2HG1      VAL  70  -1.675  -8.875   3.388
  548   3HG1  VAL  70          3HG1      VAL  70  -1.586  -7.938   4.880
  549   1HG2  VAL  70          1HG2      VAL  70  -1.220  -7.754   1.237
  550   2HG2  VAL  70          2HG2      VAL  70   0.429  -8.062   1.781
  551   3HG2  VAL  70          3HG2      VAL  70  -0.030  -6.453   1.225
  552    H    LEU  71           H        LEU  71  -3.573  -6.882   4.937
  553    HA   LEU  71           HA       LEU  71  -2.820  -4.805   6.889
  554   1HB   LEU  71          2HB       LEU  71  -5.419  -6.320   6.650
  555   2HB   LEU  71          1HB       LEU  71  -5.052  -5.112   7.866
  556    HG   LEU  71           HG       LEU  71  -4.608  -3.626   5.694
  557   1HD1  LEU  71          1HD1      LEU  71  -6.365  -5.867   4.811
  558   2HD1  LEU  71          2HD1      LEU  71  -5.079  -5.034   3.935
  559   3HD1  LEU  71          3HD1      LEU  71  -6.635  -4.242   4.185
  560   1HD2  LEU  71          1HD2      LEU  71  -6.913  -4.118   7.426
  561   2HD2  LEU  71          2HD2      LEU  71  -7.311  -3.355   5.887
  562   3HD2  LEU  71          3HD2      LEU  71  -6.139  -2.603   6.968
  563    H    ARG  72           H        ARG  72  -1.488  -5.595   8.362
  564    HA   ARG  72           HA       ARG  72  -1.630  -8.394   9.147
  565   1HB   ARG  72          2HB       ARG  72   0.324  -6.166   9.624
  566   2HB   ARG  72          1HB       ARG  72   0.368  -7.614  10.620
  567   1HG   ARG  72          2HG       ARG  72   0.510  -8.924   8.450
  568   2HG   ARG  72          1HG       ARG  72   0.829  -7.377   7.666
  569   1HD   ARG  72          2HD       ARG  72   2.757  -7.048   9.168
  570   2HD   ARG  72          1HD       ARG  72   2.452  -8.630   9.880
  571    HE   ARG  72           HE       ARG  72   3.109  -9.640   7.839
  572   1HH1  ARG  72          1HH1      ARG  72   3.536  -6.170   7.867
  573   2HH1  ARG  72          2HH1      ARG  72   4.638  -6.173   6.535
  574   1HH2  ARG  72          1HH2      ARG  72   4.565  -9.638   6.090
  575   2HH2  ARG  72          2HH2      ARG  72   5.242  -8.141   5.541
  576    H    LEU  73           H        LEU  73  -1.885  -9.075  11.356
  577    HA   LEU  73           HA       LEU  73  -3.684  -7.347  12.837
  578   1HB   LEU  73          2HB       LEU  73  -4.104  -9.806  12.496
  579   2HB   LEU  73          1HB       LEU  73  -2.741 -10.120  13.555
  580    HG   LEU  73           HG       LEU  73  -3.957  -8.797  15.336
  581   1HD1  LEU  73          1HD1      LEU  73  -6.585  -9.284  14.310
  582   2HD1  LEU  73          2HD1      LEU  73  -5.695  -8.244  13.200
  583   3HD1  LEU  73          3HD1      LEU  73  -5.874  -7.780  14.891
  584   1HD2  LEU  73          1HD2      LEU  73  -5.336 -11.287  14.348
  585   2HD2  LEU  73          2HD2      LEU  73  -5.328 -10.663  15.998
  586   3HD2  LEU  73          3HD2      LEU  73  -3.836 -11.262  15.275
  587    H    ARG  74           H        ARG  74  -3.319  -6.530  14.863
  588    HA   ARG  74           HA       ARG  74  -0.802  -7.017  16.215
  589   1HB   ARG  74          2HB       ARG  74  -0.369  -5.180  14.585
  590   2HB   ARG  74          1HB       ARG  74  -1.608  -4.230  15.395
  591   1HG   ARG  74          2HG       ARG  74  -0.307  -3.805  17.203
  592   2HG   ARG  74          1HG       ARG  74   0.589  -5.319  17.058
  593   1HD   ARG  74          2HD       ARG  74   0.860  -3.061  15.090
  594   2HD   ARG  74          1HD       ARG  74   1.865  -3.191  16.530
  595    HE   ARG  74           HE       ARG  74   1.779  -5.296  14.467
  596   1HH1  ARG  74          1HH1      ARG  74   3.564  -3.164  16.584
  597   2HH1  ARG  74          2HH1      ARG  74   5.102  -3.840  16.173
  598   1HH2  ARG  74          1HH2      ARG  74   3.801  -6.177  13.920
  599   2HH2  ARG  74          2HH2      ARG  74   5.239  -5.551  14.654
  600    H    GLY  75           H        GLY  75  -3.850  -7.174  16.576
  601   1HA   GLY  75          2HA       GLY  75  -4.437  -5.341  18.704
  602   2HA   GLY  75          1HA       GLY  75  -5.435  -6.685  18.176
  603    H    GLY  76           H        GLY  76  -2.315  -7.777  18.764
  604   1HA   GLY  76          2HA       GLY  76  -1.294  -8.741  20.600
  605   2HA   GLY  76          1HA       GLY  76  -2.580  -8.101  21.616
  606    H    HIS  77           H        HIS  77  -1.554 -10.658  21.946
  607    HA   HIS  77           HA       HIS  77  -3.230 -12.599  20.654
  608   1HB   HIS  77          2HB       HIS  77  -0.822 -12.692  21.996
  609   2HB   HIS  77          1HB       HIS  77  -1.929 -13.440  23.143
  610    HD1  HIS  77           1HD      HIS  77  -1.407 -13.731  19.390
  611    HD2  HIS  77           2HD      HIS  77  -1.930 -16.130  22.740
  612    HE1  HIS  77           1HE      HIS  77  -1.318 -16.093  18.542
  613    HE2  HIS  77           2HE      HIS  77  -1.736 -17.526  20.569
  614    H    HIS  78           H        HIS  78  -4.638 -14.089  21.886
  615    HA   HIS  78           HA       HIS  78  -6.128 -12.632  23.972
  616   1HB   HIS  78          2HB       HIS  78  -8.075 -14.047  23.269
  617   2HB   HIS  78          1HB       HIS  78  -7.498 -12.950  22.020
  618    HD1  HIS  78           1HD      HIS  78  -7.534 -14.038  19.816
  619    HD2  HIS  78           2HD      HIS  78  -6.600 -16.738  22.836
  620    HE1  HIS  78           1HE      HIS  78  -7.201 -16.246  18.664
  621    HE2  HIS  78           2HE      HIS  78  -6.645 -17.870  20.510
  622    H    HIS  79           H        HIS  79  -6.813 -13.713  25.823
  623    HA   HIS  79           HA       HIS  79  -5.210 -16.020  26.538
  624   1HB   HIS  79          2HB       HIS  79  -5.901 -13.884  27.983
  625   2HB   HIS  79          1HB       HIS  79  -7.260 -14.924  28.400
  626    HD1  HIS  79           1HD      HIS  79  -4.102 -14.037  29.620
  627    HD2  HIS  79           2HD      HIS  79  -6.096 -17.660  29.216
  628    HE1  HIS  79           1HE      HIS  79  -2.960 -15.608  31.209
  629    HE2  HIS  79           2HE      HIS  79  -4.273 -17.754  31.054
  630    H    HIS  80           H        HIS  80  -5.889 -18.068  26.505
  631    HA   HIS  80           HA       HIS  80  -8.638 -18.633  25.766
  632   1HB   HIS  80          2HB       HIS  80  -6.066 -20.049  25.655
  633   2HB   HIS  80          1HB       HIS  80  -7.432 -21.076  26.080
  634    HD1  HIS  80           1HD      HIS  80  -5.632 -20.268  23.222
  635    HD2  HIS  80           2HD      HIS  80  -9.700 -20.271  24.080
  636    HE1  HIS  80           1HE      HIS  80  -6.786 -20.407  20.992
  637    HE2  HIS  80           2HE      HIS  80  -9.249 -20.430  21.534
  638    H    HIS  81           H        HIS  81 -10.140 -18.842  27.286
  639    HA   HIS  81           HA       HIS  81  -9.360 -19.788  29.962
  640   1HB   HIS  81          2HB       HIS  81 -11.136 -17.759  29.025
  641   2HB   HIS  81          1HB       HIS  81 -12.086 -18.961  29.891
  642    HD1  HIS  81           1HD      HIS  81  -8.562 -17.924  30.812
  643    HD2  HIS  81           2HD      HIS  81 -12.457 -17.559  32.215
  644    HE1  HIS  81           1HE      HIS  81  -8.360 -16.907  33.098
  645    HE2  HIS  81           2HE      HIS  81 -10.733 -16.591  33.879
  646    H    HIS  82           H        HIS  82  -9.404 -21.970  29.918
  647    HA   HIS  82           HA       HIS  82 -11.476 -23.413  28.521
  648   1HB   HIS  82          2HB       HIS  82  -9.190 -24.320  30.275
  649   2HB   HIS  82          1HB       HIS  82 -10.318 -25.426  29.496
  650    HD1  HIS  82           1HD      HIS  82  -9.331 -22.464  27.526
  651    HD2  HIS  82           2HD      HIS  82  -8.095 -26.403  27.983
  652    HE1  HIS  82           1HE      HIS  82  -7.808 -22.918  25.580
  653    HE2  HIS  82           2HE      HIS  82  -7.020 -25.288  25.912
  Start of MODEL    5
    1   1H    MET   1          1HT       MET   1  -8.178   8.169 -15.763
    2   2H    MET   1          2HT       MET   1  -6.639   8.928 -15.803
    3   3H    MET   1          3HT       MET   1  -7.385   8.568 -14.299
    4    HA   MET   1           HA       MET   1  -6.417   6.642 -16.301
    5   1HB   MET   1          2HB       MET   1  -5.399   7.717 -13.692
    6   2HB   MET   1          1HB       MET   1  -4.984   6.080 -14.180
    7   1HG   MET   1          2HG       MET   1  -3.302   6.921 -15.338
    8   2HG   MET   1          1HG       MET   1  -4.483   7.649 -16.425
    9   1HE   MET   1          1HE       MET   1  -4.141   9.016 -12.592
   10   2HE   MET   1          2HE       MET   1  -2.530   9.698 -12.816
   11   3HE   MET   1          3HE       MET   1  -2.795   7.970 -13.047
   12    H    GLN   2           H        GLN   2  -6.018   4.547 -14.702
   13    HA   GLN   2           HA       GLN   2  -8.220   4.036 -12.942
   14   1HB   GLN   2          2HB       GLN   2  -8.996   3.762 -15.458
   15   2HB   GLN   2          1HB       GLN   2  -8.192   2.206 -15.300
   16   1HG   GLN   2          2HG       GLN   2  -9.629   1.566 -13.502
   17   2HG   GLN   2          1HG       GLN   2 -10.331   3.181 -13.424
   18   1HE2  GLN   2          1HE2      GLN   2 -12.415   2.491 -13.782
   19   2HE2  GLN   2          2HE2      GLN   2 -12.953   1.878 -15.304
   20    H    ILE   3           H        ILE   3  -7.412   2.823 -11.411
   21    HA   ILE   3           HA       ILE   3  -5.351   0.813 -12.082
   22    HB   ILE   3           HB       ILE   3  -4.495   1.142  -9.748
   23   1HG1  ILE   3          2HG1      ILE   3  -5.318   3.826  -9.347
   24   2HG1  ILE   3          1HG1      ILE   3  -6.777   2.883  -9.619
   25   1HG2  ILE   3          1HG2      ILE   3  -3.467   2.111 -11.800
   26   2HG2  ILE   3          2HG2      ILE   3  -3.143   3.031 -10.330
   27   3HG2  ILE   3          3HG2      ILE   3  -4.352   3.603 -11.480
   28   1HD1  ILE   3          1HD1      ILE   3  -6.664   2.443  -7.441
   29   2HD1  ILE   3          2HD1      ILE   3  -4.971   2.928  -7.339
   30   3HD1  ILE   3          3HD1      ILE   3  -5.393   1.304  -7.880
   31    H    PHE   4           H        PHE   4  -5.252  -1.017 -10.580
   32    HA   PHE   4           HA       PHE   4  -7.910  -1.655  -9.479
   33   1HB   PHE   4          2HB       PHE   4  -5.934  -3.381 -10.956
   34   2HB   PHE   4          1HB       PHE   4  -7.133  -4.096  -9.883
   35    HD1  PHE   4           1HD      PHE   4  -7.248  -1.335 -12.389
   36    HD2  PHE   4           2HD      PHE   4  -8.816  -5.069 -11.094
   37    HE1  PHE   4           1HE      PHE   4  -8.906  -1.257 -14.200
   38    HE2  PHE   4           2HE      PHE   4 -10.478  -5.002 -12.909
   39    HZ   PHE   4           HZ       PHE   4 -10.525  -3.092 -14.465
   40    H    VAL   5           H        VAL   5  -8.015  -2.613  -7.450
   41    HA   VAL   5           HA       VAL   5  -5.483  -3.126  -6.084
   42    HB   VAL   5           HB       VAL   5  -6.366  -1.921  -4.053
   43   1HG1  VAL   5          1HG1      VAL   5  -6.107   0.315  -5.847
   44   2HG1  VAL   5          2HG1      VAL   5  -4.965  -0.957  -6.277
   45   3HG1  VAL   5          3HG1      VAL   5  -4.971  -0.292  -4.644
   46   1HG2  VAL   5          1HG2      VAL   5  -8.295  -0.803  -4.057
   47   2HG2  VAL   5          2HG2      VAL   5  -8.686  -1.760  -5.485
   48   3HG2  VAL   5          3HG2      VAL   5  -8.018  -0.138  -5.667
   49    H    LYS   6           H        LYS   6  -5.559  -4.988  -5.054
   50    HA   LYS   6           HA       LYS   6  -8.133  -6.267  -4.635
   51   1HB   LYS   6          2HB       LYS   6  -5.558  -7.191  -5.314
   52   2HB   LYS   6          1HB       LYS   6  -5.911  -7.860  -3.727
   53   1HG   LYS   6          2HG       LYS   6  -8.154  -8.107  -5.556
   54   2HG   LYS   6          1HG       LYS   6  -6.693  -8.890  -6.159
   55   1HD   LYS   6          2HD       LYS   6  -7.651  -9.322  -3.350
   56   2HD   LYS   6          1HD       LYS   6  -8.287 -10.272  -4.693
   57   1HE   LYS   6          2HE       LYS   6  -5.351 -10.046  -4.541
   58   2HE   LYS   6          1HE       LYS   6  -6.120 -10.967  -3.250
   59   1HZ   LYS   6          1HZ       LYS   6  -5.413 -12.197  -5.351
   60   2HZ   LYS   6          2HZ       LYS   6  -6.768 -11.492  -6.080
   61   3HZ   LYS   6          3HZ       LYS   6  -6.959 -12.508  -4.742
   62    H    THR   7           H        THR   7  -9.116  -6.460  -2.784
   63    HA   THR   7           HA       THR   7  -7.865  -5.335  -0.413
   64    HB   THR   7           HB       THR   7 -10.056  -5.270   0.555
   65    HG1  THR   7           1HG      THR   7 -11.538  -6.637   0.017
   66   1HG2  THR   7          1HG2      THR   7  -9.842  -3.474  -0.959
   67   2HG2  THR   7          2HG2      THR   7 -11.443  -4.169  -1.215
   68   3HG2  THR   7          3HG2      THR   7 -10.139  -4.520  -2.348
   69    H    LEU   8           H        LEU   8  -8.913  -6.562   1.687
   70    HA   LEU   8           HA       LEU   8  -7.456  -9.028   1.758
   71   1HB   LEU   8          2HB       LEU   8  -7.509  -7.494   3.670
   72   2HB   LEU   8          1HB       LEU   8  -9.238  -7.741   3.829
   73    HG   LEU   8           HG       LEU   8  -8.421 -10.293   4.038
   74   1HD1  LEU   8          1HD1      LEU   8  -6.300  -9.059   5.672
   75   2HD1  LEU   8          2HD1      LEU   8  -6.008  -9.124   3.933
   76   3HD1  LEU   8          3HD1      LEU   8  -6.333 -10.609   4.829
   77   1HD2  LEU   8          1HD2      LEU   8  -9.853  -9.389   5.652
   78   2HD2  LEU   8          2HD2      LEU   8  -8.685  -8.156   6.128
   79   3HD2  LEU   8          3HD2      LEU   8  -8.407  -9.843   6.554
   80    H    THR   9           H        THR   9 -10.748  -8.145   1.230
   81    HA   THR   9           HA       THR   9 -11.772 -10.779   1.859
   82    HB   THR   9           HB       THR   9 -13.319  -8.664   0.393
   83    HG1  THR   9           1HG      THR   9 -13.877  -7.899   2.547
   84   1HG2  THR   9          1HG2      THR   9 -14.066 -11.119   1.296
   85   2HG2  THR   9          2HG2      THR   9 -15.156  -9.761   1.021
   86   3HG2  THR   9          3HG2      THR   9 -14.532 -10.075   2.640
   87    H    GLY  10           H        GLY  10 -10.212  -9.387  -0.790
   88   1HA   GLY  10          2HA       GLY  10  -9.648 -10.692  -2.704
   89   2HA   GLY  10          1HA       GLY  10 -11.143 -11.590  -2.486
   90    H    ALA  11           H        ALA  11 -12.269  -8.738  -1.955
   91    HA   ALA  11           HA       ALA  11 -13.240  -8.362  -4.653
   92   1HB   ALA  11          1HB       ALA  11 -14.585  -6.505  -3.528
   93   2HB   ALA  11          2HB       ALA  11 -13.933  -7.128  -2.012
   94   3HB   ALA  11          3HB       ALA  11 -14.914  -8.169  -3.044
   95    H    THR  12           H        THR  12 -12.023  -7.267  -6.065
   96    HA   THR  12           HA       THR  12 -10.178  -5.229  -5.232
   97    HB   THR  12           HB       THR  12  -9.654  -6.705  -7.124
   98    HG1  THR  12           1HG      THR  12  -9.830  -4.321  -8.478
   99   1HG2  THR  12          1HG2      THR  12 -10.838  -6.904  -9.045
  100   2HG2  THR  12          2HG2      THR  12 -11.488  -5.266  -8.950
  101   3HG2  THR  12          3HG2      THR  12 -12.168  -6.547  -7.946
  102    H    ILE  13           H        ILE  13 -10.383  -3.026  -5.439
  103    HA   ILE  13           HA       ILE  13 -13.032  -2.083  -6.333
  104    HB   ILE  13           HB       ILE  13 -12.629  -0.128  -4.754
  105   1HG1  ILE  13          2HG1      ILE  13 -10.747  -1.995  -3.343
  106   2HG1  ILE  13          1HG1      ILE  13 -10.156  -0.843  -4.528
  107   1HG2  ILE  13          1HG2      ILE  13 -12.804  -2.600  -3.127
  108   2HG2  ILE  13          2HG2      ILE  13 -13.994  -2.373  -4.410
  109   3HG2  ILE  13          3HG2      ILE  13 -13.834  -1.170  -3.130
  110   1HD1  ILE  13          1HD1      ILE  13 -10.681  -0.425  -1.801
  111   2HD1  ILE  13          2HD1      ILE  13 -11.851   0.531  -2.715
  112   3HD1  ILE  13          3HD1      ILE  13 -10.124   0.729  -2.998
  113    H    THR  14           H        THR  14 -13.191  -0.183  -7.456
  114    HA   THR  14           HA       THR  14 -10.797   0.584  -8.939
  115    HB   THR  14           HB       THR  14 -12.538   1.917 -10.295
  116    HG1  THR  14           1HG      THR  14 -14.652   0.593  -9.920
  117   1HG2  THR  14          1HG2      THR  14 -11.701  -0.720 -10.490
  118   2HG2  THR  14          2HG2      THR  14 -12.509   0.233 -11.737
  119   3HG2  THR  14          3HG2      THR  14 -13.452  -0.796 -10.660
  120    H    LEU  15           H        LEU  15  -9.707   2.403  -8.523
  121    HA   LEU  15           HA       LEU  15 -11.117   4.633  -7.249
  122   1HB   LEU  15          2HB       LEU  15  -8.783   3.136  -6.178
  123   2HB   LEU  15          1HB       LEU  15  -8.824   4.872  -5.936
  124    HG   LEU  15           HG       LEU  15 -11.320   3.508  -5.232
  125   1HD1  LEU  15          1HD1      LEU  15  -9.843   3.003  -2.979
  126   2HD1  LEU  15          2HD1      LEU  15  -8.783   2.481  -4.290
  127   3HD1  LEU  15          3HD1      LEU  15 -10.410   1.821  -4.156
  128   1HD2  LEU  15          1HD2      LEU  15  -9.775   5.116  -3.294
  129   2HD2  LEU  15          2HD2      LEU  15 -11.491   5.157  -3.697
  130   3HD2  LEU  15          3HD2      LEU  15 -10.319   5.943  -4.753
  131    H    GLU  16           H        GLU  16  -9.894   6.634  -7.270
  132    HA   GLU  16           HA       GLU  16  -8.202   6.855  -9.668
  133   1HB   GLU  16          2HB       GLU  16  -9.970   8.965  -8.417
  134   2HB   GLU  16          1HB       GLU  16  -9.001   9.164  -9.872
  135   1HG   GLU  16          2HG       GLU  16 -10.890   6.910  -9.912
  136   2HG   GLU  16          1HG       GLU  16 -11.618   8.515  -9.860
  137    H    VAL  17           H        VAL  17  -6.183   7.645  -9.433
  138    HA   VAL  17           HA       VAL  17  -5.381   8.395  -6.732
  139    HB   VAL  17           HB       VAL  17  -3.051   8.164  -7.606
  140   1HG1  VAL  17          1HG1      VAL  17  -4.939   5.831  -7.784
  141   2HG1  VAL  17          2HG1      VAL  17  -3.952   6.331  -6.411
  142   3HG1  VAL  17          3HG1      VAL  17  -3.186   5.663  -7.853
  143   1HG2  VAL  17          1HG2      VAL  17  -4.548   7.686 -10.113
  144   2HG2  VAL  17          2HG2      VAL  17  -3.141   6.668  -9.813
  145   3HG2  VAL  17          3HG2      VAL  17  -2.969   8.424  -9.856
  146    H    GLU  18           H        GLU  18  -4.531  10.302  -6.153
  147    HA   GLU  18           HA       GLU  18  -4.303  12.393  -8.217
  148   1HB   GLU  18          2HB       GLU  18  -6.276  12.476  -6.500
  149   2HB   GLU  18          1HB       GLU  18  -5.036  13.033  -5.386
  150   1HG   GLU  18          2HG       GLU  18  -4.489  14.771  -7.194
  151   2HG   GLU  18          1HG       GLU  18  -6.062  14.351  -7.868
  152    H    SER  19           H        SER  19  -2.814  14.150  -7.697
  153    HA   SER  19           HA       SER  19  -0.322  13.166  -6.757
  154   1HB   SER  19          2HB       SER  19  -0.638  15.018  -8.440
  155   2HB   SER  19          1HB       SER  19  -1.116  16.066  -7.102
  156    HG   SER  19           HG       SER  19   1.326  14.647  -7.169
  157    H    SER  20           H        SER  20  -2.942  14.999  -5.380
  158    HA   SER  20           HA       SER  20  -1.556  15.611  -2.924
  159   1HB   SER  20          2HB       SER  20  -3.381  17.042  -3.963
  160   2HB   SER  20          1HB       SER  20  -4.528  15.813  -3.430
  161    HG   SER  20           HG       SER  20  -4.140  17.661  -1.975
  162    H    ASP  21           H        ASP  21  -2.480  12.743  -4.011
  163    HA   ASP  21           HA       ASP  21  -3.969  11.786  -1.722
  164   1HB   ASP  21          2HB       ASP  21  -3.230  10.781  -4.367
  165   2HB   ASP  21          1HB       ASP  21  -3.167   9.552  -3.116
  166    H    THR  22           H        THR  22  -2.867  11.632   0.122
  167    HA   THR  22           HA       THR  22  -0.193  10.400   0.069
  168    HB   THR  22           HB       THR  22   0.315  11.610   2.108
  169    HG1  THR  22           1HG      THR  22  -1.396  13.288   2.655
  170   1HG2  THR  22          1HG2      THR  22  -0.913  13.815   0.603
  171   2HG2  THR  22          2HG2      THR  22   0.188  12.771  -0.287
  172   3HG2  THR  22          3HG2      THR  22   0.744  13.599   1.168
  173    H    ILE  23           H        ILE  23   0.314   9.352   2.282
  174    HA   ILE  23           HA       ILE  23  -1.458   7.189   2.646
  175    HB   ILE  23           HB       ILE  23   0.661   8.090   4.594
  176   1HG1  ILE  23          2HG1      ILE  23   1.593   7.955   2.324
  177   2HG1  ILE  23          1HG1      ILE  23   2.212   6.658   3.329
  178   1HG2  ILE  23          1HG2      ILE  23   0.723   5.417   4.678
  179   2HG2  ILE  23          2HG2      ILE  23  -0.972   5.648   4.250
  180   3HG2  ILE  23          3HG2      ILE  23  -0.325   6.385   5.716
  181   1HD1  ILE  23          1HD1      ILE  23  -0.195   5.937   1.854
  182   2HD1  ILE  23          2HD1      ILE  23   1.335   5.078   2.029
  183   3HD1  ILE  23          3HD1      ILE  23   1.176   6.363   0.831
  184    H    ASP  24           H        ASP  24  -1.251  10.325   4.131
  185    HA   ASP  24           HA       ASP  24  -2.870   9.636   6.424
  186   1HB   ASP  24          2HB       ASP  24  -2.042  12.337   5.329
  187   2HB   ASP  24          1HB       ASP  24  -2.805  12.059   6.894
  188    H    ASN  25           H        ASN  25  -3.295  11.285   3.340
  189    HA   ASN  25           HA       ASN  25  -5.884  12.245   3.660
  190   1HB   ASN  25          2HB       ASN  25  -4.176  12.541   1.701
  191   2HB   ASN  25          1HB       ASN  25  -4.990  11.139   1.016
  192   1HD2  ASN  25          1HD2      ASN  25  -5.073  14.482   1.506
  193   2HD2  ASN  25          2HD2      ASN  25  -6.626  14.793   0.816
  194    H    VAL  26           H        VAL  26  -4.776   9.042   2.678
  195    HA   VAL  26           HA       VAL  26  -7.234   7.971   1.875
  196    HB   VAL  26           HB       VAL  26  -5.098   6.434   3.323
  197   1HG1  VAL  26          1HG1      VAL  26  -7.075   5.136   2.925
  198   2HG1  VAL  26          2HG1      VAL  26  -5.818   4.604   1.810
  199   3HG1  VAL  26          3HG1      VAL  26  -7.120   5.646   1.236
  200   1HG2  VAL  26          1HG2      VAL  26  -5.125   7.485   0.525
  201   2HG2  VAL  26          2HG2      VAL  26  -4.242   6.015   0.939
  202   3HG2  VAL  26          3HG2      VAL  26  -3.834   7.537   1.726
  203    H    LYS  27           H        LYS  27  -5.704   8.169   5.063
  204    HA   LYS  27           HA       LYS  27  -7.659   6.651   6.410
  205   1HB   LYS  27          2HB       LYS  27  -5.582   8.585   7.389
  206   2HB   LYS  27          1HB       LYS  27  -6.738   7.845   8.487
  207   1HG   LYS  27          2HG       LYS  27  -4.609   6.645   8.450
  208   2HG   LYS  27          1HG       LYS  27  -5.946   5.635   7.896
  209   1HD   LYS  27          2HD       LYS  27  -4.553   7.135   5.788
  210   2HD   LYS  27          1HD       LYS  27  -3.577   5.910   6.591
  211   1HE   LYS  27          2HE       LYS  27  -5.463   4.291   6.163
  212   2HE   LYS  27          1HE       LYS  27  -6.195   5.536   5.146
  213   1HZ   LYS  27          1HZ       LYS  27  -3.670   4.060   4.716
  214   2HZ   LYS  27          2HZ       LYS  27  -3.966   5.526   3.935
  215   3HZ   LYS  27          3HZ       LYS  27  -4.998   4.210   3.678
  216    H    SER  28           H        SER  28  -7.248  10.121   5.952
  217    HA   SER  28           HA       SER  28  -9.352  10.991   7.576
  218   1HB   SER  28          2HB       SER  28  -9.300  13.007   5.929
  219   2HB   SER  28          1HB       SER  28  -7.874  12.669   6.909
  220    HG   SER  28           HG       SER  28  -8.225  11.713   4.265
  221    H    LYS  29           H        LYS  29  -9.302  10.220   4.105
  222    HA   LYS  29           HA       LYS  29 -11.956  10.917   3.568
  223   1HB   LYS  29          2HB       LYS  29  -9.790   9.826   2.134
  224   2HB   LYS  29          1HB       LYS  29 -11.134   8.717   1.907
  225   1HG   LYS  29          2HG       LYS  29 -11.556  10.120   0.189
  226   2HG   LYS  29          1HG       LYS  29 -12.424  10.992   1.455
  227   1HD   LYS  29          2HD       LYS  29  -9.875  11.966   1.711
  228   2HD   LYS  29          1HD       LYS  29 -10.013  11.731  -0.031
  229   1HE   LYS  29          2HE       LYS  29 -11.026  13.715  -0.071
  230   2HE   LYS  29          1HE       LYS  29 -12.417  12.889   0.633
  231   1HZ   LYS  29          1HZ       LYS  29 -12.199  14.155   2.418
  232   2HZ   LYS  29          2HZ       LYS  29 -10.833  14.911   1.765
  233   3HZ   LYS  29          3HZ       LYS  29 -10.660  13.518   2.708
  234    H    ILE  30           H        ILE  30 -11.007   8.568   5.678
  235    HA   ILE  30           HA       ILE  30 -13.126   6.692   5.010
  236    HB   ILE  30           HB       ILE  30 -11.344   6.693   7.441
  237   1HG1  ILE  30          2HG1      ILE  30 -10.869   4.972   5.034
  238   2HG1  ILE  30          1HG1      ILE  30 -10.246   6.620   5.064
  239   1HG2  ILE  30          1HG2      ILE  30 -12.708   5.043   8.060
  240   2HG2  ILE  30          2HG2      ILE  30 -11.999   4.096   6.752
  241   3HG2  ILE  30          3HG2      ILE  30 -13.491   4.997   6.481
  242   1HD1  ILE  30          1HD1      ILE  30  -9.745   4.729   7.296
  243   2HD1  ILE  30          2HD1      ILE  30  -8.870   6.181   6.867
  244   3HD1  ILE  30          3HD1      ILE  30  -8.729   4.738   5.861
  245    H    GLN  31           H        GLN  31 -13.634   9.533   5.755
  246    HA   GLN  31           HA       GLN  31 -14.889   9.417   8.367
  247   1HB   GLN  31          2HB       GLN  31 -13.845  11.453   6.760
  248   2HB   GLN  31          1HB       GLN  31 -15.581  11.738   6.774
  249   1HG   GLN  31          2HG       GLN  31 -15.389  12.682   8.760
  250   2HG   GLN  31          1HG       GLN  31 -14.843  11.141   9.418
  251   1HE2  GLN  31          1HE2      GLN  31 -12.512  10.672   9.149
  252   2HE2  GLN  31          2HE2      GLN  31 -11.402  11.984   9.336
  253    H    ALA  32           H        ALA  32 -15.869   7.705   6.099
  254    HA   ALA  32           HA       ALA  32 -18.638   8.710   5.942
  255   1HB   ALA  32          1HB       ALA  32 -17.365   8.405   3.780
  256   2HB   ALA  32          2HB       ALA  32 -18.906   7.552   3.891
  257   3HB   ALA  32          3HB       ALA  32 -17.393   6.673   4.107
  258    H    ALA  33           H        ALA  33 -17.053   5.539   5.631
  259    HA   ALA  33           HA       ALA  33 -18.658   4.518   7.855
  260   1HB   ALA  33          1HB       ALA  33 -19.122   3.912   5.058
  261   2HB   ALA  33          2HB       ALA  33 -20.092   3.508   6.475
  262   3HB   ALA  33          3HB       ALA  33 -18.761   2.458   5.990
  263    HA   PRO  34           HA       PRO  34 -14.352   3.030   8.131
  264   1HB   PRO  34          2HB       PRO  34 -14.899   2.884  11.009
  265   2HB   PRO  34          1HB       PRO  34 -13.682   3.822  10.153
  266   1HG   PRO  34          2HG       PRO  34 -15.825   4.956  11.349
  267   2HG   PRO  34          1HG       PRO  34 -15.069   5.631   9.893
  268   1HD   PRO  34          2HD       PRO  34 -17.560   3.981  10.148
  269   2HD   PRO  34          1HD       PRO  34 -17.249   5.398   9.120
  270    H    GLY  35           H        GLY  35 -15.688   1.553  11.012
  271   1HA   GLY  35          2HA       GLY  35 -16.586  -0.591  11.300
  272   2HA   GLY  35          1HA       GLY  35 -16.341  -0.899   9.586
  273    H    ILE  36           H        ILE  36 -13.608  -0.076   9.524
  274    HA   ILE  36           HA       ILE  36 -12.310  -2.176  11.128
  275    HB   ILE  36           HB       ILE  36 -10.716  -2.364   9.119
  276   1HG1  ILE  36          2HG1      ILE  36 -12.881  -1.785   7.253
  277   2HG1  ILE  36          1HG1      ILE  36 -12.351  -0.341   8.109
  278   1HG2  ILE  36          1HG2      ILE  36 -12.048  -4.213   9.681
  279   2HG2  ILE  36          2HG2      ILE  36 -12.337  -3.941   7.962
  280   3HG2  ILE  36          3HG2      ILE  36 -13.529  -3.413   9.152
  281   1HD1  ILE  36          1HD1      ILE  36 -11.049  -1.843   6.000
  282   2HD1  ILE  36          2HD1      ILE  36  -9.989  -1.541   7.379
  283   3HD1  ILE  36          3HD1      ILE  36 -10.771  -0.192   6.558
  284    HA   PRO  37           HA       PRO  37  -9.363   0.859  12.377
  285   1HB   PRO  37          2HB       PRO  37  -6.998  -0.506  12.246
  286   2HB   PRO  37          1HB       PRO  37  -8.178  -0.702  13.545
  287   1HG   PRO  37          2HG       PRO  37  -7.702  -2.406  11.137
  288   2HG   PRO  37          1HG       PRO  37  -8.072  -2.895  12.800
  289   1HD   PRO  37          2HD       PRO  37  -9.931  -2.886  10.835
  290   2HD   PRO  37          1HD       PRO  37 -10.334  -2.546  12.530
  291    HA   PRO  38           HA       PRO  38  -8.217   2.269   8.192
  292   1HB   PRO  38          2HB       PRO  38  -7.846   4.871   8.962
  293   2HB   PRO  38          1HB       PRO  38  -9.403   4.171   8.520
  294   1HG   PRO  38          2HG       PRO  38  -8.268   4.640  11.238
  295   2HG   PRO  38          1HG       PRO  38  -9.912   4.926  10.633
  296   1HD   PRO  38          2HD       PRO  38  -9.318   2.760  12.096
  297   2HD   PRO  38          1HD       PRO  38 -10.495   2.699  10.769
  298    H    ASP  39           H        ASP  39  -6.529   2.702  11.223
  299    HA   ASP  39           HA       ASP  39  -4.075   3.565  10.026
  300   1HB   ASP  39          2HB       ASP  39  -5.100   3.778  12.528
  301   2HB   ASP  39          1HB       ASP  39  -4.025   2.398  12.743
  302    H    GLN  40           H        GLN  40  -5.644   0.666  10.042
  303    HA   GLN  40           HA       GLN  40  -3.200  -0.929  10.228
  304   1HB   GLN  40          2HB       GLN  40  -5.385  -1.550  11.437
  305   2HB   GLN  40          1HB       GLN  40  -5.993  -1.998   9.851
  306   1HG   GLN  40          2HG       GLN  40  -4.963  -3.961   9.944
  307   2HG   GLN  40          1HG       GLN  40  -3.417  -3.193  10.295
  308   1HE2  GLN  40          1HE2      GLN  40  -2.765  -4.710  11.763
  309   2HE2  GLN  40          2HE2      GLN  40  -3.508  -4.916  13.310
  310    H    GLN  41           H        GLN  41  -4.465   0.885   7.934
  311    HA   GLN  41           HA       GLN  41  -4.237  -1.146   5.810
  312   1HB   GLN  41          2HB       GLN  41  -5.672   1.481   5.996
  313   2HB   GLN  41          1HB       GLN  41  -5.234   0.833   4.420
  314   1HG   GLN  41          2HG       GLN  41  -6.494  -1.212   4.932
  315   2HG   GLN  41          1HG       GLN  41  -6.961  -0.513   6.483
  316   1HE2  GLN  41          1HE2      GLN  41  -8.002   1.697   6.284
  317   2HE2  GLN  41          2HE2      GLN  41  -9.163   1.893   5.020
  318    H    GLU  42           H        GLU  42  -2.580  -1.107   4.462
  319    HA   GLU  42           HA       GLU  42  -1.101   1.325   3.922
  320   1HB   GLU  42          2HB       GLU  42   0.106  -0.993   5.413
  321   2HB   GLU  42          1HB       GLU  42   1.089   0.130   4.482
  322   1HG   GLU  42          2HG       GLU  42   0.802   1.829   5.958
  323   2HG   GLU  42          1HG       GLU  42  -0.795   1.282   6.449
  324    H    LEU  43           H        LEU  43   0.429   1.109   2.150
  325    HA   LEU  43           HA       LEU  43  -0.319  -1.063   0.341
  326   1HB   LEU  43          2HB       LEU  43  -0.340   1.372  -0.393
  327   2HB   LEU  43          1HB       LEU  43   1.408   1.347  -0.257
  328    HG   LEU  43           HG       LEU  43   0.029  -0.643  -2.028
  329   1HD1  LEU  43          1HD1      LEU  43  -0.242   2.144  -2.341
  330   2HD1  LEU  43          2HD1      LEU  43  -0.676   0.871  -3.480
  331   3HD1  LEU  43          3HD1      LEU  43   0.926   1.602  -3.545
  332   1HD2  LEU  43          1HD2      LEU  43   2.589   0.719  -2.658
  333   2HD2  LEU  43          2HD2      LEU  43   2.068  -0.932  -2.990
  334   3HD2  LEU  43          3HD2      LEU  43   2.580  -0.479  -1.367
  335    H    ILE  44           H        ILE  44   1.172  -2.531  -0.449
  336    HA   ILE  44           HA       ILE  44   3.929  -2.265   0.462
  337    HB   ILE  44           HB       ILE  44   2.433  -4.818   1.029
  338   1HG1  ILE  44          2HG1      ILE  44   3.212  -2.763   3.092
  339   2HG1  ILE  44          1HG1      ILE  44   1.616  -2.781   2.351
  340   1HG2  ILE  44          1HG2      ILE  44   5.164  -3.770   1.717
  341   2HG2  ILE  44          2HG2      ILE  44   4.736  -5.258   0.878
  342   3HG2  ILE  44          3HG2      ILE  44   4.420  -5.105   2.599
  343   1HD1  ILE  44          1HD1      ILE  44   1.484  -5.203   3.135
  344   2HD1  ILE  44          2HD1      ILE  44   1.346  -3.929   4.345
  345   3HD1  ILE  44          3HD1      ILE  44   2.865  -4.805   4.158
  346    H    PHE  45           H        PHE  45   5.371  -2.965  -0.990
  347    HA   PHE  45           HA       PHE  45   4.430  -4.281  -3.404
  348   1HB   PHE  45          2HB       PHE  45   6.404  -2.409  -2.903
  349   2HB   PHE  45          1HB       PHE  45   7.314  -3.894  -3.152
  350    HD1  PHE  45           1HD      PHE  45   5.822  -1.134  -4.730
  351    HD2  PHE  45           2HD      PHE  45   6.644  -5.273  -5.270
  352    HE1  PHE  45           1HE      PHE  45   5.602  -0.856  -7.166
  353    HE2  PHE  45           2HE      PHE  45   6.428  -5.002  -7.705
  354    HZ   PHE  45           HZ       PHE  45   5.906  -2.792  -8.656
  355    H    ALA  46           H        ALA  46   4.619  -5.610  -0.687
  356    HA   ALA  46           HA       ALA  46   5.065  -7.683   0.130
  357   1HB   ALA  46          1HB       ALA  46   4.674  -9.233  -1.407
  358   2HB   ALA  46          2HB       ALA  46   6.284  -8.993  -2.090
  359   3HB   ALA  46          3HB       ALA  46   4.924  -8.032  -2.672
  360    H    GLY  47           H        GLY  47   7.632  -6.983  -2.246
  361   1HA   GLY  47          2HA       GLY  47   9.650  -7.664  -0.223
  362   2HA   GLY  47          1HA       GLY  47   9.928  -7.511  -1.957
  363    H    LYS  48           H        LYS  48   8.059  -4.961  -1.554
  364    HA   LYS  48           HA       LYS  48  10.175  -3.211  -0.479
  365   1HB   LYS  48          2HB       LYS  48   9.068  -3.256  -3.180
  366   2HB   LYS  48          1HB       LYS  48   8.870  -1.685  -2.414
  367   1HG   LYS  48          2HG       LYS  48  11.170  -1.373  -2.191
  368   2HG   LYS  48          1HG       LYS  48  11.518  -3.088  -2.433
  369   1HD   LYS  48          2HD       LYS  48  11.798  -2.719  -4.608
  370   2HD   LYS  48          1HD       LYS  48  10.128  -2.156  -4.725
  371   1HE   LYS  48          2HE       LYS  48  11.664  -0.464  -5.559
  372   2HE   LYS  48          1HE       LYS  48  10.846   0.098  -4.102
  373   1HZ   LYS  48          1HZ       LYS  48  13.613  -0.974  -4.250
  374   2HZ   LYS  48          2HZ       LYS  48  12.830  -0.503  -2.827
  375   3HZ   LYS  48          3HZ       LYS  48  13.179   0.645  -4.019
  376    H    GLN  49           H        GLN  49   9.328  -2.381   1.327
  377    HA   GLN  49           HA       GLN  49   6.461  -2.026   1.586
  378   1HB   GLN  49          2HB       GLN  49   8.783  -1.799   3.482
  379   2HB   GLN  49          1HB       GLN  49   7.188  -1.204   3.925
  380   1HG   GLN  49          2HG       GLN  49   6.345  -3.266   4.203
  381   2HG   GLN  49          1HG       GLN  49   7.260  -3.942   2.856
  382   1HE2  GLN  49          1HE2      GLN  49   9.689  -4.014   3.292
  383   2HE2  GLN  49          2HE2      GLN  49  10.159  -4.610   4.844
  384    H    LEU  50           H        LEU  50   5.366  -0.126   1.591
  385    HA   LEU  50           HA       LEU  50   6.765   2.214   0.662
  386   1HB   LEU  50          2HB       LEU  50   4.061   1.210   0.633
  387   2HB   LEU  50          1HB       LEU  50   4.085   2.866   1.210
  388    HG   LEU  50           HG       LEU  50   3.735   2.655  -1.241
  389   1HD1  LEU  50          1HD1      LEU  50   4.846   4.617  -0.016
  390   2HD1  LEU  50          2HD1      LEU  50   5.012   4.526  -1.768
  391   3HD1  LEU  50          3HD1      LEU  50   6.348   4.029  -0.728
  392   1HD2  LEU  50          1HD2      LEU  50   6.171   1.064  -0.986
  393   2HD2  LEU  50          2HD2      LEU  50   6.250   2.272  -2.268
  394   3HD2  LEU  50          3HD2      LEU  50   4.951   1.079  -2.258
  395    H    GLU  51           H        GLU  51   6.718   4.259   1.640
  396    HA   GLU  51           HA       GLU  51   6.726   4.149   4.565
  397   1HB   GLU  51          2HB       GLU  51   8.195   5.622   2.550
  398   2HB   GLU  51          1HB       GLU  51   7.503   6.716   3.739
  399   1HG   GLU  51          2HG       GLU  51   8.874   4.320   4.783
  400   2HG   GLU  51          1HG       GLU  51   9.881   5.555   4.029
  401    H    ASP  52           H        ASP  52   5.113   4.940   5.742
  402    HA   ASP  52           HA       ASP  52   2.735   5.892   4.673
  403   1HB   ASP  52          2HB       ASP  52   3.836   6.272   7.459
  404   2HB   ASP  52          1HB       ASP  52   2.162   6.553   6.988
  405    H    GLY  53           H        GLY  53   5.621   7.622   5.647
  406   1HA   GLY  53          2HA       GLY  53   4.351  10.228   5.493
  407   2HA   GLY  53          1HA       GLY  53   6.058   9.910   5.766
  408    H    ARG  54           H        ARG  54   4.816   8.186   3.096
  409    HA   ARG  54           HA       ARG  54   6.220  10.006   1.293
  410   1HB   ARG  54          2HB       ARG  54   6.379   7.335   1.504
  411   2HB   ARG  54          1HB       ARG  54   5.104   7.445   0.301
  412   1HG   ARG  54          2HG       ARG  54   6.971   7.339  -1.021
  413   2HG   ARG  54          1HG       ARG  54   6.748   9.086  -0.881
  414   1HD   ARG  54          2HD       ARG  54   8.343   9.019   1.062
  415   2HD   ARG  54          1HD       ARG  54   8.682   7.345   0.630
  416    HE   ARG  54           HE       ARG  54   9.343   8.321  -1.616
  417   1HH1  ARG  54          1HH1      ARG  54   9.673  10.106   1.375
  418   2HH1  ARG  54          2HH1      ARG  54  10.992  11.063   0.794
  419   1HH2  ARG  54          1HH2      ARG  54  11.090   9.587  -2.360
  420   2HH2  ARG  54          2HH2      ARG  54  11.786  10.777  -1.312
  421    H    THR  55           H        THR  55   5.297  10.725  -0.684
  422    HA   THR  55           HA       THR  55   2.365  10.869  -0.589
  423    HB   THR  55           HB       THR  55   4.147  12.729  -2.150
  424    HG1  THR  55           1HG      THR  55   4.890  13.040  -0.137
  425   1HG2  THR  55          1HG2      THR  55   1.782  12.913  -2.647
  426   2HG2  THR  55          2HG2      THR  55   2.359  14.340  -1.793
  427   3HG2  THR  55          3HG2      THR  55   1.434  13.118  -0.939
  428    H    LEU  56           H        LEU  56   1.418  11.335  -2.921
  429    HA   LEU  56           HA       LEU  56   1.785   9.014  -4.435
  430   1HB   LEU  56          2HB       LEU  56  -0.097  10.934  -4.354
  431   2HB   LEU  56          1HB       LEU  56   0.739  11.404  -5.823
  432    HG   LEU  56           HG       LEU  56   0.363   8.643  -6.068
  433   1HD1  LEU  56          1HD1      LEU  56  -1.815   9.953  -4.585
  434   2HD1  LEU  56          2HD1      LEU  56  -1.276   8.282  -4.552
  435   3HD1  LEU  56          3HD1      LEU  56  -2.276   8.858  -5.886
  436   1HD2  LEU  56          1HD2      LEU  56   0.243   9.973  -7.961
  437   2HD2  LEU  56          2HD2      LEU  56  -0.920  11.073  -7.247
  438   3HD2  LEU  56          3HD2      LEU  56  -1.420   9.453  -7.730
  439    H    SER  57           H        SER  57   2.871  12.342  -5.091
  440    HA   SER  57           HA       SER  57   4.112  11.909  -7.527
  441   1HB   SER  57          2HB       SER  57   4.385  13.920  -5.366
  442   2HB   SER  57          1HB       SER  57   5.711  13.827  -6.525
  443    HG   SER  57           HG       SER  57   3.044  14.549  -6.917
  444    H    ASP  58           H        ASP  58   5.218  11.130  -4.326
  445    HA   ASP  58           HA       ASP  58   7.959  10.734  -5.003
  446   1HB   ASP  58          2HB       ASP  58   6.243   9.945  -2.672
  447   2HB   ASP  58          1HB       ASP  58   7.884   9.322  -2.828
  448    H    TYR  59           H        TYR  59   5.102   8.804  -5.359
  449    HA   TYR  59           HA       TYR  59   6.713   6.656  -6.533
  450   1HB   TYR  59          2HB       TYR  59   5.513   6.406  -4.007
  451   2HB   TYR  59          1HB       TYR  59   4.446   5.537  -5.107
  452    HD1  TYR  59           1HD      TYR  59   7.739   5.608  -3.539
  453    HD2  TYR  59           2HD      TYR  59   5.263   3.584  -6.348
  454    HE1  TYR  59           1HE      TYR  59   9.287   3.697  -3.515
  455    HE2  TYR  59           2HE      TYR  59   6.802   1.666  -6.331
  456    HH   TYR  59           HH       TYR  59   8.615   0.752  -5.377
  457    H    ASN  60           H        ASN  60   5.195   8.721  -7.739
  458    HA   ASN  60           HA       ASN  60   2.665   7.709  -8.616
  459   1HB   ASN  60          2HB       ASN  60   3.825  10.204  -8.520
  460   2HB   ASN  60          1HB       ASN  60   3.888   9.819 -10.238
  461   1HD2  ASN  60          1HD2      ASN  60   2.341  11.871  -9.184
  462   2HD2  ASN  60          2HD2      ASN  60   0.673  11.477  -9.398
  463    H    ILE  61           H        ILE  61   2.949   5.819  -9.673
  464    HA   ILE  61           HA       ILE  61   4.929   5.488 -11.764
  465    HB   ILE  61           HB       ILE  61   2.686   3.581 -11.099
  466   1HG1  ILE  61          2HG1      ILE  61   5.370   3.107  -9.956
  467   2HG1  ILE  61          1HG1      ILE  61   4.461   4.423  -9.224
  468   1HG2  ILE  61          1HG2      ILE  61   4.331   1.903 -11.913
  469   2HG2  ILE  61          2HG2      ILE  61   5.389   3.233 -12.384
  470   3HG2  ILE  61          3HG2      ILE  61   3.809   3.049 -13.148
  471   1HD1  ILE  61          1HD1      ILE  61   2.735   2.181  -9.508
  472   2HD1  ILE  61          2HD1      ILE  61   3.301   2.969  -8.034
  473   3HD1  ILE  61          3HD1      ILE  61   4.237   1.655  -8.749
  474    H    GLN  62           H        GLN  62   4.327   4.731 -13.906
  475    HA   GLN  62           HA       GLN  62   2.480   6.474 -15.174
  476   1HB   GLN  62          2HB       GLN  62   4.679   5.132 -15.992
  477   2HB   GLN  62          1HB       GLN  62   3.426   4.087 -16.648
  478   1HG   GLN  62          2HG       GLN  62   2.449   6.112 -17.758
  479   2HG   GLN  62          1HG       GLN  62   3.879   7.000 -17.237
  480   1HE2  GLN  62          1HE2      GLN  62   5.223   7.263 -18.842
  481   2HE2  GLN  62          2HE2      GLN  62   5.631   6.094 -20.044
  482    H    LYS  63           H        LYS  63   1.465   4.694 -17.169
  483    HA   LYS  63           HA       LYS  63  -0.948   3.811 -15.847
  484   1HB   LYS  63          2HB       LYS  63  -0.734   4.976 -18.144
  485   2HB   LYS  63          1HB       LYS  63  -0.283   3.390 -18.753
  486   1HG   LYS  63          2HG       LYS  63  -2.441   2.527 -17.792
  487   2HG   LYS  63          1HG       LYS  63  -2.888   4.210 -17.499
  488   1HD   LYS  63          2HD       LYS  63  -2.852   4.721 -19.809
  489   2HD   LYS  63          1HD       LYS  63  -2.035   3.210 -20.204
  490   1HE   LYS  63          2HE       LYS  63  -4.357   2.398 -18.932
  491   2HE   LYS  63          1HE       LYS  63  -4.867   3.776 -19.905
  492   1HZ   LYS  63          1HZ       LYS  63  -4.547   1.230 -20.801
  493   2HZ   LYS  63          2HZ       LYS  63  -3.136   1.994 -21.331
  494   3HZ   LYS  63          3HZ       LYS  63  -4.646   2.612 -21.773
  495    H    GLU  64           H        GLU  64  -1.704   1.688 -15.709
  496    HA   GLU  64           HA       GLU  64  -1.627  -0.599 -15.622
  497   1HB   GLU  64          2HB       GLU  64  -0.124  -0.023 -17.936
  498   2HB   GLU  64          1HB       GLU  64   0.847  -1.154 -17.001
  499   1HG   GLU  64          2HG       GLU  64  -1.046  -2.693 -16.893
  500   2HG   GLU  64          1HG       GLU  64  -2.015  -1.566 -17.841
  501    H    SER  65           H        SER  65  -1.198  -0.314 -13.425
  502    HA   SER  65           HA       SER  65   1.346  -1.386 -12.581
  503   1HB   SER  65          2HB       SER  65   1.776   0.432 -10.948
  504   2HB   SER  65          1HB       SER  65   1.861   1.008 -12.613
  505    HG   SER  65           HG       SER  65   0.543   2.188 -10.868
  506    H    THR  66           H        THR  66   0.656  -3.015 -11.410
  507    HA   THR  66           HA       THR  66  -1.856  -3.084 -10.078
  508    HB   THR  66           HB       THR  66  -1.068  -5.257  -9.185
  509    HG1  THR  66           1HG      THR  66   1.365  -4.347 -10.253
  510   1HG2  THR  66          1HG2      THR  66  -0.599  -6.395 -11.350
  511   2HG2  THR  66          2HG2      THR  66  -0.588  -4.806 -12.112
  512   3HG2  THR  66          3HG2      THR  66  -2.054  -5.399 -11.332
  513    H    LEU  67           H        LEU  67  -2.396  -2.868  -7.974
  514    HA   LEU  67           HA       LEU  67  -0.256  -2.027  -6.138
  515   1HB   LEU  67          2HB       LEU  67  -2.861  -0.794  -6.787
  516   2HB   LEU  67          1HB       LEU  67  -2.488  -0.882  -5.077
  517    HG   LEU  67           HG       LEU  67  -0.338   0.299  -5.537
  518   1HD1  LEU  67          1HD1      LEU  67  -0.524  -0.391  -8.054
  519   2HD1  LEU  67          2HD1      LEU  67   0.249   1.122  -7.588
  520   3HD1  LEU  67          3HD1      LEU  67  -1.409   1.126  -8.189
  521   1HD2  LEU  67          1HD2      LEU  67  -2.601   1.977  -6.543
  522   2HD2  LEU  67          2HD2      LEU  67  -1.289   2.406  -5.446
  523   3HD2  LEU  67          3HD2      LEU  67  -2.600   1.364  -4.889
  524    H    HIS  68           H        HIS  68  -0.120  -3.162  -4.249
  525    HA   HIS  68           HA       HIS  68  -2.379  -4.948  -3.601
  526   1HB   HIS  68          2HB       HIS  68  -0.124  -5.945  -4.466
  527   2HB   HIS  68          1HB       HIS  68   0.438  -5.613  -2.828
  528    HD1  HIS  68           1HD      HIS  68   0.120  -7.484  -1.269
  529    HD2  HIS  68           2HD      HIS  68  -2.684  -7.550  -4.336
  530    HE1  HIS  68           1HE      HIS  68  -1.246  -9.561  -0.884
  531    HE2  HIS  68           2HE      HIS  68  -2.973  -9.553  -2.720
  532    H    LEU  69           H        LEU  69  -3.265  -4.685  -1.637
  533    HA   LEU  69           HA       LEU  69  -1.629  -3.382   0.442
  534   1HB   LEU  69          2HB       LEU  69  -4.306  -2.675  -0.595
  535   2HB   LEU  69          1HB       LEU  69  -4.148  -2.654   1.150
  536    HG   LEU  69           HG       LEU  69  -2.232  -1.093   0.915
  537   1HD1  LEU  69          1HD1      LEU  69  -1.312  -0.604  -1.015
  538   2HD1  LEU  69          2HD1      LEU  69  -2.853  -0.246  -1.767
  539   3HD1  LEU  69          3HD1      LEU  69  -2.254  -1.901  -1.718
  540   1HD2  LEU  69          1HD2      LEU  69  -4.070   0.120   1.453
  541   2HD2  LEU  69          2HD2      LEU  69  -4.995  -0.450   0.065
  542   3HD2  LEU  69          3HD2      LEU  69  -3.758   0.791  -0.144
  543    H    VAL  70           H        VAL  70  -1.338  -4.648   2.108
  544    HA   VAL  70           HA       VAL  70  -3.367  -6.692   2.728
  545    HB   VAL  70           HB       VAL  70  -0.442  -6.819   3.455
  546   1HG1  VAL  70          1HG1      VAL  70  -2.130  -8.122   4.806
  547   2HG1  VAL  70          2HG1      VAL  70  -0.854  -9.078   4.049
  548   3HG1  VAL  70          3HG1      VAL  70  -2.468  -9.040   3.340
  549   1HG2  VAL  70          1HG2      VAL  70  -0.183  -8.414   1.619
  550   2HG2  VAL  70          2HG2      VAL  70  -0.690  -6.835   1.020
  551   3HG2  VAL  70          3HG2      VAL  70  -1.862  -8.145   1.143
  552    H    LEU  71           H        LEU  71  -3.959  -7.060   4.878
  553    HA   LEU  71           HA       LEU  71  -3.195  -4.902   6.735
  554   1HB   LEU  71          2HB       LEU  71  -5.771  -6.184   6.078
  555   2HB   LEU  71          1HB       LEU  71  -5.497  -5.864   7.781
  556    HG   LEU  71           HG       LEU  71  -4.783  -3.489   6.510
  557   1HD1  LEU  71          1HD1      LEU  71  -7.288  -3.285   5.462
  558   2HD1  LEU  71          2HD1      LEU  71  -6.804  -4.906   4.956
  559   3HD1  LEU  71          3HD1      LEU  71  -5.808  -3.513   4.534
  560   1HD2  LEU  71          1HD2      LEU  71  -7.097  -2.798   7.464
  561   2HD2  LEU  71          2HD2      LEU  71  -5.816  -3.320   8.551
  562   3HD2  LEU  71          3HD2      LEU  71  -7.107  -4.437   8.120
  563    H    ARG  72           H        ARG  72  -1.373  -6.158   7.466
  564    HA   ARG  72           HA       ARG  72  -1.921  -8.659   8.850
  565   1HB   ARG  72          2HB       ARG  72   0.613  -7.085   8.374
  566   2HB   ARG  72          1HB       ARG  72   0.557  -8.548   9.350
  567   1HG   ARG  72          2HG       ARG  72  -0.659  -8.829   6.707
  568   2HG   ARG  72          1HG       ARG  72   1.066  -8.460   6.681
  569   1HD   ARG  72          2HD       ARG  72   0.850 -10.831   6.716
  570   2HD   ARG  72          1HD       ARG  72   1.405 -10.324   8.309
  571    HE   ARG  72           HE       ARG  72  -0.872 -10.652   9.104
  572   1HH1  ARG  72          1HH1      ARG  72  -0.044 -12.139   6.042
  573   2HH1  ARG  72          2HH1      ARG  72  -1.307 -13.313   6.139
  574   1HH2  ARG  72          1HH2      ARG  72  -2.511 -12.217   9.224
  575   2HH2  ARG  72          2HH2      ARG  72  -2.704 -13.360   7.938
  576    H    LEU  73           H        LEU  73  -1.316  -8.966  11.115
  577    HA   LEU  73           HA       LEU  73  -1.906  -6.570  12.697
  578   1HB   LEU  73          2HB       LEU  73  -2.362  -8.178  14.533
  579   2HB   LEU  73          1HB       LEU  73  -3.394  -8.402  13.135
  580    HG   LEU  73           HG       LEU  73  -1.600 -10.217  12.483
  581   1HD1  LEU  73          1HD1      LEU  73  -1.023  -9.630  15.328
  582   2HD1  LEU  73          2HD1      LEU  73   0.044 -10.188  14.041
  583   3HD1  LEU  73          3HD1      LEU  73  -1.045 -11.323  14.833
  584   1HD2  LEU  73          1HD2      LEU  73  -3.234 -11.257  14.677
  585   2HD2  LEU  73          2HD2      LEU  73  -3.223 -11.682  12.966
  586   3HD2  LEU  73          3HD2      LEU  73  -4.128 -10.273  13.517
  587    H    ARG  74           H        ARG  74  -0.501  -5.765  14.188
  588    HA   ARG  74           HA       ARG  74   1.911  -7.271  14.823
  589   1HB   ARG  74          2HB       ARG  74   1.879  -5.156  12.931
  590   2HB   ARG  74          1HB       ARG  74   2.723  -4.574  14.360
  591   1HG   ARG  74          2HG       ARG  74   3.771  -7.095  13.988
  592   2HG   ARG  74          1HG       ARG  74   3.563  -6.485  12.344
  593   1HD   ARG  74          2HD       ARG  74   4.919  -4.590  12.782
  594   2HD   ARG  74          1HD       ARG  74   4.895  -4.885  14.517
  595    HE   ARG  74           HE       ARG  74   6.500  -6.542  14.248
  596   1HH1  ARG  74          1HH1      ARG  74   5.505  -5.283  11.142
  597   2HH1  ARG  74          2HH1      ARG  74   6.830  -5.997  10.293
  598   1HH2  ARG  74          1HH2      ARG  74   8.233  -7.488  13.122
  599   2HH2  ARG  74          2HH2      ARG  74   8.364  -7.267  11.409
  600    H    GLY  75           H        GLY  75  -0.594  -6.019  16.112
  601   1HA   GLY  75          2HA       GLY  75   0.529  -4.154  18.014
  602   2HA   GLY  75          1HA       GLY  75  -1.118  -4.765  17.996
  603    H    GLY  76           H        GLY  76   1.918  -6.625  18.128
  604   1HA   GLY  76          2HA       GLY  76   2.848  -7.647  20.045
  605   2HA   GLY  76          1HA       GLY  76   1.358  -7.328  20.917
  606    H    HIS  77           H        HIS  77   0.429  -9.178  21.488
  607    HA   HIS  77           HA       HIS  77   0.255 -11.324  19.481
  608   1HB   HIS  77          2HB       HIS  77   1.617 -11.407  21.997
  609   2HB   HIS  77          1HB       HIS  77   0.241 -12.500  22.069
  610    HD1  HIS  77           1HD      HIS  77   0.711 -14.773  21.235
  611    HD2  HIS  77           2HD      HIS  77   3.240 -11.955  19.522
  612    HE1  HIS  77           1HE      HIS  77   2.301 -16.084  19.795
  613    HE2  HIS  77           2HE      HIS  77   3.832 -14.362  18.778
  614    H    HIS  78           H        HIS  78  -1.634 -12.517  19.452
  615    HA   HIS  78           HA       HIS  78  -3.926 -11.204  20.628
  616   1HB   HIS  78          2HB       HIS  78  -5.197 -12.986  19.342
  617   2HB   HIS  78          1HB       HIS  78  -4.227 -11.883  18.370
  618    HD1  HIS  78           1HD      HIS  78  -2.230 -12.868  17.102
  619    HD2  HIS  78           2HD      HIS  78  -4.256 -15.641  19.442
  620    HE1  HIS  78           1HE      HIS  78  -1.340 -15.114  16.405
  621    HE2  HIS  78           2HE      HIS  78  -2.568 -16.779  17.845
  622    H    HIS  79           H        HIS  79  -4.617 -11.680  22.565
  623    HA   HIS  79           HA       HIS  79  -3.838 -14.047  23.972
  624   1HB   HIS  79          2HB       HIS  79  -5.292 -13.158  25.791
  625   2HB   HIS  79          1HB       HIS  79  -4.082 -12.009  25.235
  626    HD1  HIS  79           1HD      HIS  79  -6.866 -11.365  26.682
  627    HD2  HIS  79           2HD      HIS  79  -6.029 -10.949  22.633
  628    HE1  HIS  79           1HE      HIS  79  -8.494  -9.649  25.824
  629    HE2  HIS  79           2HE      HIS  79  -7.882  -9.328  23.407
  630    H    HIS  80           H        HIS  80  -4.743 -15.957  23.750
  631    HA   HIS  80           HA       HIS  80  -7.137 -16.440  22.349
  632   1HB   HIS  80          2HB       HIS  80  -5.061 -17.990  23.035
  633   2HB   HIS  80          1HB       HIS  80  -6.186 -18.470  24.301
  634    HD1  HIS  80           1HD      HIS  80  -8.798 -18.731  22.897
  635    HD2  HIS  80           2HD      HIS  80  -5.217 -19.886  21.137
  636    HE1  HIS  80           1HE      HIS  80  -9.429 -20.398  21.124
  637    HE2  HIS  80           2HE      HIS  80  -7.250 -21.038  20.029
  638    H    HIS  81           H        HIS  81  -9.171 -16.214  22.975
  639    HA   HIS  81           HA       HIS  81  -9.805 -15.779  25.781
  640   1HB   HIS  81          2HB       HIS  81 -10.730 -14.558  23.608
  641   2HB   HIS  81          1HB       HIS  81 -11.919 -15.856  23.676
  642    HD1  HIS  81           1HD      HIS  81 -10.966 -12.667  25.278
  643    HD2  HIS  81           2HD      HIS  81 -13.550 -15.833  26.034
  644    HE1  HIS  81           1HE      HIS  81 -12.541 -11.840  27.057
  645    HE2  HIS  81           2HE      HIS  81 -14.110 -13.765  27.485
  646    H    HIS  82           H        HIS  82  -9.735 -17.740  26.831
  647    HA   HIS  82           HA       HIS  82 -11.329 -19.944  25.735
  648   1HB   HIS  82          2HB       HIS  82  -8.894 -19.771  27.318
  649   2HB   HIS  82          1HB       HIS  82 -10.066 -20.875  28.036
  650    HD1  HIS  82           1HD      HIS  82  -7.339 -20.924  25.819
  651    HD2  HIS  82           2HD      HIS  82 -11.092 -22.708  25.791
  652    HE1  HIS  82           1HE      HIS  82  -7.145 -22.869  24.237
  653    HE2  HIS  82           2HE      HIS  82  -9.450 -23.887  24.176
  Start of MODEL    6
    1   1H    MET   1          1HT       MET   1  -8.331   7.154 -16.821
    2   2H    MET   1          2HT       MET   1  -6.754   6.772 -17.384
    3   3H    MET   1          3HT       MET   1  -7.143   8.382 -16.942
    4    HA   MET   1           HA       MET   1  -5.864   6.752 -15.375
    5   1HB   MET   1          2HB       MET   1  -6.684   8.190 -13.529
    6   2HB   MET   1          1HB       MET   1  -6.270   9.101 -14.975
    7   1HG   MET   1          2HG       MET   1  -8.880   8.697 -15.435
    8   2HG   MET   1          1HG       MET   1  -8.879   8.698 -13.671
    9   1HE   MET   1          1HE       MET   1  -6.409  10.526 -15.978
   10   2HE   MET   1          2HE       MET   1  -7.010  12.181 -16.033
   11   3HE   MET   1          3HE       MET   1  -7.869  10.902 -16.894
   12    H    GLN   2           H        GLN   2  -6.178   4.820 -14.510
   13    HA   GLN   2           HA       GLN   2  -8.373   4.198 -12.857
   14   1HB   GLN   2          2HB       GLN   2  -8.590   3.472 -15.689
   15   2HB   GLN   2          1HB       GLN   2  -8.828   2.117 -14.593
   16   1HG   GLN   2          2HG       GLN   2 -10.630   3.238 -13.491
   17   2HG   GLN   2          1HG       GLN   2 -10.317   4.719 -14.385
   18   1HE2  GLN   2          1HE2      GLN   2 -11.326   5.033 -16.254
   19   2HE2  GLN   2          2HE2      GLN   2 -12.271   3.853 -17.087
   20    H    ILE   3           H        ILE   3  -7.645   2.838 -11.395
   21    HA   ILE   3           HA       ILE   3  -5.457   0.996 -12.133
   22    HB   ILE   3           HB       ILE   3  -4.653   1.221  -9.778
   23   1HG1  ILE   3          2HG1      ILE   3  -6.143   3.809  -9.608
   24   2HG1  ILE   3          1HG1      ILE   3  -6.973   2.323  -9.155
   25   1HG2  ILE   3          1HG2      ILE   3  -3.972   3.789 -10.309
   26   2HG2  ILE   3          2HG2      ILE   3  -4.501   3.245 -11.898
   27   3HG2  ILE   3          3HG2      ILE   3  -3.215   2.382 -11.056
   28   1HD1  ILE   3          1HD1      ILE   3  -6.103   2.597  -7.139
   29   2HD1  ILE   3          2HD1      ILE   3  -5.000   3.854  -7.709
   30   3HD1  ILE   3          3HD1      ILE   3  -4.555   2.161  -7.856
   31    H    PHE   4           H        PHE   4  -5.239  -0.871 -10.666
   32    HA   PHE   4           HA       PHE   4  -7.826  -1.752  -9.574
   33   1HB   PHE   4          2HB       PHE   4  -5.905  -3.230 -11.355
   34   2HB   PHE   4          1HB       PHE   4  -6.957  -4.108 -10.265
   35    HD1  PHE   4           1HD      PHE   4  -6.733  -2.215 -13.331
   36    HD2  PHE   4           2HD      PHE   4  -9.423  -3.988 -10.566
   37    HE1  PHE   4           1HE      PHE   4  -8.550  -2.061 -14.984
   38    HE2  PHE   4           2HE      PHE   4 -11.233  -3.844 -12.193
   39    HZ   PHE   4           HZ       PHE   4 -10.803  -2.876 -14.415
   40    H    VAL   5           H        VAL   5  -7.747  -2.418  -7.519
   41    HA   VAL   5           HA       VAL   5  -5.148  -3.237  -6.413
   42    HB   VAL   5           HB       VAL   5  -7.028  -1.396  -4.941
   43   1HG1  VAL   5          1HG1      VAL   5  -4.152  -1.762  -4.265
   44   2HG1  VAL   5          2HG1      VAL   5  -5.288  -3.035  -3.825
   45   3HG1  VAL   5          3HG1      VAL   5  -5.523  -1.395  -3.219
   46   1HG2  VAL   5          1HG2      VAL   5  -6.136  -0.195  -6.844
   47   2HG2  VAL   5          2HG2      VAL   5  -4.513  -0.725  -6.455
   48   3HG2  VAL   5          3HG2      VAL   5  -5.353   0.375  -5.372
   49    H    LYS   6           H        LYS   6  -5.183  -4.890  -5.028
   50    HA   LYS   6           HA       LYS   6  -7.730  -6.216  -4.608
   51   1HB   LYS   6          2HB       LYS   6  -5.158  -7.144  -5.123
   52   2HB   LYS   6          1HB       LYS   6  -5.426  -7.553  -3.430
   53   1HG   LYS   6          2HG       LYS   6  -7.041  -9.069  -3.905
   54   2HG   LYS   6          1HG       LYS   6  -7.603  -8.186  -5.327
   55   1HD   LYS   6          2HD       LYS   6  -4.884  -9.312  -5.500
   56   2HD   LYS   6          1HD       LYS   6  -6.201 -10.483  -5.446
   57   1HE   LYS   6          2HE       LYS   6  -6.818 -10.018  -7.540
   58   2HE   LYS   6          1HE       LYS   6  -6.780  -8.280  -7.241
   59   1HZ   LYS   6          1HZ       LYS   6  -4.565 -10.038  -8.110
   60   2HZ   LYS   6          2HZ       LYS   6  -4.279  -8.506  -7.456
   61   3HZ   LYS   6          3HZ       LYS   6  -5.180  -8.660  -8.878
   62    H    THR   7           H        THR   7  -8.836  -6.203  -2.805
   63    HA   THR   7           HA       THR   7  -7.702  -4.898  -0.458
   64    HB   THR   7           HB       THR   7 -10.145  -5.118   0.348
   65    HG1  THR   7           1HG      THR   7 -10.725  -6.669  -1.234
   66   1HG2  THR   7          1HG2      THR   7  -9.938  -2.959  -0.182
   67   2HG2  THR   7          2HG2      THR   7 -10.824  -3.406  -1.640
   68   3HG2  THR   7          3HG2      THR   7  -9.062  -3.304  -1.674
   69    H    LEU   8           H        LEU   8  -8.974  -5.937   1.651
   70    HA   LEU   8           HA       LEU   8  -7.689  -8.486   1.984
   71   1HB   LEU   8          2HB       LEU   8  -8.946  -6.476   3.686
   72   2HB   LEU   8          1HB       LEU   8  -9.310  -8.113   4.193
   73    HG   LEU   8           HG       LEU   8  -6.809  -8.548   4.147
   74   1HD1  LEU   8          1HD1      LEU   8  -5.894  -5.983   4.654
   75   2HD1  LEU   8          2HD1      LEU   8  -6.874  -5.810   3.216
   76   3HD1  LEU   8          3HD1      LEU   8  -5.538  -6.965   3.243
   77   1HD2  LEU   8          1HD2      LEU   8  -7.115  -6.507   6.182
   78   2HD2  LEU   8          2HD2      LEU   8  -6.879  -8.234   6.355
   79   3HD2  LEU   8          3HD2      LEU   8  -8.496  -7.581   6.098
   80    H    THR   9           H        THR   9  -9.705  -8.395  -0.003
   81    HA   THR   9           HA       THR   9 -11.474 -10.491   0.991
   82    HB   THR   9           HB       THR   9 -13.178  -9.320  -0.712
   83    HG1  THR   9           1HG      THR   9 -11.882  -7.558  -1.169
   84   1HG2  THR   9          1HG2      THR   9 -14.110  -8.031   1.258
   85   2HG2  THR   9          2HG2      THR   9 -12.764  -8.691   2.184
   86   3HG2  THR   9          3HG2      THR   9 -13.942  -9.777   1.446
   87    H    GLY  10           H        GLY  10  -9.804  -8.981  -1.687
   88   1HA   GLY  10          2HA       GLY  10  -8.794 -10.337  -3.404
   89   2HA   GLY  10          1HA       GLY  10 -10.159 -11.441  -3.266
   90    H    ALA  11           H        ALA  11 -11.569  -8.632  -2.956
   91    HA   ALA  11           HA       ALA  11 -12.484  -8.508  -5.712
   92   1HB   ALA  11          1HB       ALA  11 -14.227  -8.394  -4.134
   93   2HB   ALA  11          2HB       ALA  11 -14.060  -6.754  -4.757
   94   3HB   ALA  11          3HB       ALA  11 -13.395  -7.170  -3.176
   95    H    THR  12           H        THR  12 -11.211  -7.402  -7.110
   96    HA   THR  12           HA       THR  12  -9.493  -5.295  -6.360
   97    HB   THR  12           HB       THR  12 -10.536  -5.640  -9.154
   98    HG1  THR  12           1HG      THR  12  -8.776  -7.339  -7.743
   99   1HG2  THR  12          1HG2      THR  12  -8.960  -4.044  -9.334
  100   2HG2  THR  12          2HG2      THR  12  -7.899  -5.443  -9.407
  101   3HG2  THR  12          3HG2      THR  12  -8.096  -4.555  -7.898
  102    H    ILE  13           H        ILE  13  -9.754  -3.142  -6.279
  103    HA   ILE  13           HA       ILE  13 -12.442  -2.135  -6.967
  104    HB   ILE  13           HB       ILE  13 -12.065  -0.378  -5.229
  105   1HG1  ILE  13          2HG1      ILE  13  -9.941  -2.069  -4.004
  106   2HG1  ILE  13          1HG1      ILE  13  -9.476  -1.010  -5.328
  107   1HG2  ILE  13          1HG2      ILE  13 -11.987  -3.228  -4.230
  108   2HG2  ILE  13          2HG2      ILE  13 -13.427  -2.358  -4.754
  109   3HG2  ILE  13          3HG2      ILE  13 -12.550  -1.826  -3.317
  110   1HD1  ILE  13          1HD1      ILE  13 -10.451  -0.319  -2.601
  111   2HD1  ILE  13          2HD1      ILE  13 -10.696   0.810  -3.932
  112   3HD1  ILE  13          3HD1      ILE  13  -9.067   0.305  -3.495
  113    H    THR  14           H        THR  14 -12.669  -0.300  -8.079
  114    HA   THR  14           HA       THR  14 -10.316   0.737  -9.459
  115    HB   THR  14           HB       THR  14 -12.170   2.006 -10.768
  116    HG1  THR  14           1HG      THR  14 -13.704   0.033  -9.425
  117   1HG2  THR  14          1HG2      THR  14 -10.944  -0.363 -11.231
  118   2HG2  THR  14          2HG2      THR  14 -12.052   0.435 -12.343
  119   3HG2  THR  14          3HG2      THR  14 -12.643  -0.833 -11.267
  120    H    LEU  15           H        LEU  15  -9.367   2.597  -8.874
  121    HA   LEU  15           HA       LEU  15 -11.001   4.666  -7.607
  122   1HB   LEU  15          2HB       LEU  15  -9.049   3.065  -6.258
  123   2HB   LEU  15          1HB       LEU  15  -8.493   4.727  -6.305
  124    HG   LEU  15           HG       LEU  15 -11.213   4.820  -5.536
  125   1HD1  LEU  15          1HD1      LEU  15 -10.158   2.323  -4.858
  126   2HD1  LEU  15          2HD1      LEU  15 -11.630   3.069  -4.235
  127   3HD1  LEU  15          3HD1      LEU  15 -10.104   3.276  -3.377
  128   1HD2  LEU  15          1HD2      LEU  15  -8.585   5.258  -4.141
  129   2HD2  LEU  15          2HD2      LEU  15 -10.134   5.565  -3.354
  130   3HD2  LEU  15          3HD2      LEU  15  -9.691   6.461  -4.803
  131    H    GLU  16           H        GLU  16  -9.901   6.763  -7.485
  132    HA   GLU  16           HA       GLU  16  -8.113   7.159  -9.789
  133   1HB   GLU  16          2HB       GLU  16 -10.440   8.238  -9.775
  134   2HB   GLU  16          1HB       GLU  16  -9.817   9.291  -8.508
  135   1HG   GLU  16          2HG       GLU  16  -8.199  10.231  -9.962
  136   2HG   GLU  16          1HG       GLU  16  -8.523   9.024 -11.207
  137    H    VAL  17           H        VAL  17  -6.081   7.831  -9.375
  138    HA   VAL  17           HA       VAL  17  -5.440   8.624  -6.641
  139    HB   VAL  17           HB       VAL  17  -3.089   8.343  -7.363
  140   1HG1  VAL  17          1HG1      VAL  17  -4.462   6.495  -6.388
  141   2HG1  VAL  17          2HG1      VAL  17  -3.092   5.973  -7.366
  142   3HG1  VAL  17          3HG1      VAL  17  -4.723   5.925  -8.035
  143   1HG2  VAL  17          1HG2      VAL  17  -2.505   8.256  -9.501
  144   2HG2  VAL  17          2HG2      VAL  17  -4.198   8.507  -9.929
  145   3HG2  VAL  17          3HG2      VAL  17  -3.565   6.869  -9.763
  146    H    GLU  18           H        GLU  18  -4.468  10.506  -6.058
  147    HA   GLU  18           HA       GLU  18  -4.224  12.587  -8.127
  148   1HB   GLU  18          2HB       GLU  18  -6.117  12.626  -6.213
  149   2HB   GLU  18          1HB       GLU  18  -4.810  13.422  -5.348
  150   1HG   GLU  18          2HG       GLU  18  -4.693  15.166  -6.934
  151   2HG   GLU  18          1HG       GLU  18  -5.719  14.291  -8.076
  152    H    SER  19           H        SER  19  -2.672  14.264  -7.703
  153    HA   SER  19           HA       SER  19  -0.210  13.232  -6.667
  154   1HB   SER  19          2HB       SER  19  -1.087  15.598  -8.148
  155   2HB   SER  19          1HB       SER  19   0.184  15.943  -6.979
  156    HG   SER  19           HG       SER  19   0.355  14.679  -9.351
  157    H    SER  20           H        SER  20  -2.711  15.386  -5.563
  158    HA   SER  20           HA       SER  20  -1.267  16.236  -3.217
  159   1HB   SER  20          2HB       SER  20  -3.373  17.353  -2.591
  160   2HB   SER  20          1HB       SER  20  -2.926  17.722  -4.252
  161    HG   SER  20           HG       SER  20  -5.063  17.190  -4.296
  162    H    ASP  21           H        ASP  21  -2.337  13.304  -3.917
  163    HA   ASP  21           HA       ASP  21  -3.901  12.705  -1.578
  164   1HB   ASP  21          2HB       ASP  21  -2.772  11.083  -3.840
  165   2HB   ASP  21          1HB       ASP  21  -3.440  10.287  -2.420
  166    H    THR  22           H        THR  22  -3.072  12.444   0.369
  167    HA   THR  22           HA       THR  22  -0.325  11.424   0.623
  168    HB   THR  22           HB       THR  22  -0.391  12.576   2.893
  169    HG1  THR  22           1HG      THR  22  -2.051  13.768   3.400
  170   1HG2  THR  22          1HG2      THR  22   0.366  14.606   2.113
  171   2HG2  THR  22          2HG2      THR  22  -0.749  14.617   0.748
  172   3HG2  THR  22          3HG2      THR  22   0.631  13.536   0.747
  173    H    ILE  23           H        ILE  23   0.102  10.064   2.503
  174    HA   ILE  23           HA       ILE  23  -1.715   7.956   2.748
  175    HB   ILE  23           HB       ILE  23   0.761   7.905   3.228
  176   1HG1  ILE  23          2HG1      ILE  23  -0.966   6.100   3.780
  177   2HG1  ILE  23          1HG1      ILE  23   0.587   6.002   4.598
  178   1HG2  ILE  23          1HG2      ILE  23   1.342   9.531   4.695
  179   2HG2  ILE  23          2HG2      ILE  23   1.138   8.200   5.834
  180   3HG2  ILE  23          3HG2      ILE  23  -0.140   9.392   5.631
  181   1HD1  ILE  23          1HD1      ILE  23  -2.022   6.943   5.743
  182   2HD1  ILE  23          2HD1      ILE  23  -0.479   7.093   6.572
  183   3HD1  ILE  23          3HD1      ILE  23  -1.116   5.503   6.169
  184    H    ASP  24           H        ASP  24  -1.580  10.977   4.439
  185    HA   ASP  24           HA       ASP  24  -3.205  10.073   6.668
  186   1HB   ASP  24          2HB       ASP  24  -1.575  12.370   6.089
  187   2HB   ASP  24          1HB       ASP  24  -3.186  12.901   6.572
  188    H    ASN  25           H        ASN  25  -3.602  12.319   3.940
  189    HA   ASN  25           HA       ASN  25  -6.321  12.885   4.409
  190   1HB   ASN  25          2HB       ASN  25  -4.334  13.540   2.429
  191   2HB   ASN  25          1HB       ASN  25  -5.854  13.134   1.637
  192   1HD2  ASN  25          1HD2      ASN  25  -7.796  14.106   2.909
  193   2HD2  ASN  25          2HD2      ASN  25  -7.651  15.788   3.263
  194    H    VAL  26           H        VAL  26  -4.774  10.623   2.131
  195    HA   VAL  26           HA       VAL  26  -7.147   9.591   1.044
  196    HB   VAL  26           HB       VAL  26  -4.571   8.048   1.369
  197   1HG1  VAL  26          1HG1      VAL  26  -7.070   7.678  -0.153
  198   2HG1  VAL  26          2HG1      VAL  26  -5.925   6.486   0.463
  199   3HG1  VAL  26          3HG1      VAL  26  -5.576   7.351  -1.033
  200   1HG2  VAL  26          1HG2      VAL  26  -5.251  10.370  -0.327
  201   2HG2  VAL  26          2HG2      VAL  26  -4.410   9.038  -1.124
  202   3HG2  VAL  26          3HG2      VAL  26  -3.691   9.824   0.271
  203    H    LYS  27           H        LYS  27  -5.124   8.403   3.709
  204    HA   LYS  27           HA       LYS  27  -6.599   6.110   4.325
  205   1HB   LYS  27          2HB       LYS  27  -4.343   6.560   5.209
  206   2HB   LYS  27          1HB       LYS  27  -5.007   7.838   6.220
  207   1HG   LYS  27          2HG       LYS  27  -6.318   6.233   7.458
  208   2HG   LYS  27          1HG       LYS  27  -5.774   4.935   6.396
  209   1HD   LYS  27          2HD       LYS  27  -4.493   4.823   8.383
  210   2HD   LYS  27          1HD       LYS  27  -3.427   5.447   7.139
  211   1HE   LYS  27          2HE       LYS  27  -4.955   7.333   8.875
  212   2HE   LYS  27          1HE       LYS  27  -3.506   6.572   9.490
  213   1HZ   LYS  27          1HZ       LYS  27  -3.341   7.818   6.873
  214   2HZ   LYS  27          2HZ       LYS  27  -2.170   7.693   8.078
  215   3HZ   LYS  27          3HZ       LYS  27  -3.411   8.836   8.219
  216    H    SER  28           H        SER  28  -6.878   9.403   5.632
  217    HA   SER  28           HA       SER  28  -8.842   8.901   7.549
  218   1HB   SER  28          2HB       SER  28  -9.439  11.361   7.184
  219   2HB   SER  28          1HB       SER  28  -7.768  11.007   7.623
  220    HG   SER  28           HG       SER  28  -8.804  11.635   5.066
  221    H    LYS  29           H        LYS  29  -9.072   8.921   4.127
  222    HA   LYS  29           HA       LYS  29 -11.749   9.661   3.768
  223   1HB   LYS  29          2HB       LYS  29  -9.691   8.870   2.114
  224   2HB   LYS  29          1HB       LYS  29 -10.844   7.553   1.954
  225   1HG   LYS  29          2HG       LYS  29 -12.286   8.798   0.786
  226   2HG   LYS  29          1HG       LYS  29 -12.037  10.220   1.799
  227   1HD   LYS  29          2HD       LYS  29 -11.089  11.000  -0.111
  228   2HD   LYS  29          1HD       LYS  29  -9.677  10.180   0.556
  229   1HE   LYS  29          2HE       LYS  29  -9.988   8.303  -0.843
  230   2HE   LYS  29          1HE       LYS  29 -11.616   8.821  -1.296
  231   1HZ   LYS  29          1HZ       LYS  29 -10.795  10.474  -2.667
  232   2HZ   LYS  29          2HZ       LYS  29  -9.711   9.207  -2.938
  233   3HZ   LYS  29          3HZ       LYS  29  -9.272  10.493  -1.932
  234    H    ILE  30           H        ILE  30 -10.685   7.167   5.616
  235    HA   ILE  30           HA       ILE  30 -12.856   5.341   4.929
  236    HB   ILE  30           HB       ILE  30 -10.871   5.075   7.155
  237   1HG1  ILE  30          2HG1      ILE  30 -10.681   4.054   4.328
  238   2HG1  ILE  30          1HG1      ILE  30  -9.655   5.268   5.060
  239   1HG2  ILE  30          1HG2      ILE  30 -12.780   3.645   7.440
  240   2HG2  ILE  30          2HG2      ILE  30 -11.419   2.654   6.932
  241   3HG2  ILE  30          3HG2      ILE  30 -12.664   3.102   5.770
  242   1HD1  ILE  30          1HD1      ILE  30  -9.305   2.465   5.001
  243   2HD1  ILE  30          2HD1      ILE  30  -9.535   2.956   6.676
  244   3HD1  ILE  30          3HD1      ILE  30  -8.256   3.692   5.710
  245    H    GLN  31           H        GLN  31 -13.176   8.113   6.048
  246    HA   GLN  31           HA       GLN  31 -14.060   7.814   8.752
  247   1HB   GLN  31          2HB       GLN  31 -13.481   9.948   7.022
  248   2HB   GLN  31          1HB       GLN  31 -15.180  10.124   7.427
  249   1HG   GLN  31          2HG       GLN  31 -14.160   9.645   9.870
  250   2HG   GLN  31          1HG       GLN  31 -12.785  10.436   9.109
  251   1HE2  GLN  31          1HE2      GLN  31 -12.818  12.387  10.065
  252   2HE2  GLN  31          2HE2      GLN  31 -14.144  13.492  10.000
  253    H    ALA  32           H        ALA  32 -15.511   7.129   5.719
  254    HA   ALA  32           HA       ALA  32 -18.201   7.329   6.871
  255   1HB   ALA  32          1HB       ALA  32 -17.888   6.555   4.047
  256   2HB   ALA  32          2HB       ALA  32 -17.348   8.178   4.471
  257   3HB   ALA  32          3HB       ALA  32 -19.009   7.687   4.800
  258    H    ALA  33           H        ALA  33 -15.900   5.110   6.956
  259    HA   ALA  33           HA       ALA  33 -17.805   2.888   6.620
  260   1HB   ALA  33          1HB       ALA  33 -14.849   2.684   6.074
  261   2HB   ALA  33          2HB       ALA  33 -16.065   2.950   4.822
  262   3HB   ALA  33          3HB       ALA  33 -16.090   1.469   5.772
  263    HA   PRO  34           HA       PRO  34 -16.454   2.791  10.985
  264   1HB   PRO  34          2HB       PRO  34 -18.628   1.412  11.873
  265   2HB   PRO  34          1HB       PRO  34 -18.608   3.167  11.681
  266   1HG   PRO  34          2HG       PRO  34 -19.765   1.073   9.894
  267   2HG   PRO  34          1HG       PRO  34 -20.398   2.676  10.304
  268   1HD   PRO  34          2HD       PRO  34 -19.130   2.120   7.956
  269   2HD   PRO  34          1HD       PRO  34 -19.122   3.725   8.713
  270    H    GLY  35           H        GLY  35 -15.638   1.102  12.257
  271   1HA   GLY  35          2HA       GLY  35 -15.932  -1.497  12.399
  272   2HA   GLY  35          1HA       GLY  35 -15.237  -1.401  10.782
  273    H    ILE  36           H        ILE  36 -13.102  -1.257  10.569
  274    HA   ILE  36           HA       ILE  36 -11.472  -1.305  12.988
  275    HB   ILE  36           HB       ILE  36  -9.626  -2.004  11.440
  276   1HG1  ILE  36          2HG1      ILE  36 -10.750  -1.016   9.388
  277   2HG1  ILE  36          1HG1      ILE  36 -10.069  -2.627   9.190
  278   1HG2  ILE  36          1HG2      ILE  36 -11.130  -4.228  10.856
  279   2HG2  ILE  36          2HG2      ILE  36 -11.991  -3.504  12.216
  280   3HG2  ILE  36          3HG2      ILE  36 -10.286  -3.914  12.372
  281   1HD1  ILE  36          1HD1      ILE  36 -12.557  -1.875   8.419
  282   2HD1  ILE  36          2HD1      ILE  36 -12.878  -2.621   9.981
  283   3HD1  ILE  36          3HD1      ILE  36 -12.056  -3.535   8.729
  284    HA   PRO  37           HA       PRO  37  -9.775   2.721  12.405
  285   1HB   PRO  37          2HB       PRO  37  -7.141   2.382  13.011
  286   2HB   PRO  37          1HB       PRO  37  -8.416   2.399  14.225
  287   1HG   PRO  37          2HG       PRO  37  -7.040   0.063  12.961
  288   2HG   PRO  37          1HG       PRO  37  -7.473   0.320  14.659
  289   1HD   PRO  37          2HD       PRO  37  -8.943  -1.241  13.024
  290   2HD   PRO  37          1HD       PRO  37  -9.678  -0.282  14.323
  291    HA   PRO  38           HA       PRO  38  -8.540   2.551   8.064
  292   1HB   PRO  38          2HB       PRO  38  -8.176   5.456   8.605
  293   2HB   PRO  38          1HB       PRO  38  -9.041   4.671   7.299
  294   1HG   PRO  38          2HG       PRO  38 -10.382   5.792   9.281
  295   2HG   PRO  38          1HG       PRO  38 -10.916   4.242   8.613
  296   1HD   PRO  38          2HD       PRO  38  -9.468   4.796  11.156
  297   2HD   PRO  38          1HD       PRO  38 -10.745   3.611  10.816
  298    H    ASP  39           H        ASP  39  -6.755   3.651  10.774
  299    HA   ASP  39           HA       ASP  39  -4.353   4.343   9.430
  300   1HB   ASP  39          2HB       ASP  39  -5.336   4.419  12.115
  301   2HB   ASP  39          1HB       ASP  39  -3.754   3.648  12.087
  302    H    GLN  40           H        GLN  40  -5.865   1.473   9.745
  303    HA   GLN  40           HA       GLN  40  -3.423  -0.098  10.079
  304   1HB   GLN  40          2HB       GLN  40  -6.135  -0.491  10.837
  305   2HB   GLN  40          1HB       GLN  40  -5.731  -1.737   9.658
  306   1HG   GLN  40          2HG       GLN  40  -4.934  -2.866  11.405
  307   2HG   GLN  40          1HG       GLN  40  -3.548  -1.785  11.285
  308   1HE2  GLN  40          1HE2      GLN  40  -5.749  -3.040  13.370
  309   2HE2  GLN  40          2HE2      GLN  40  -5.711  -1.828  14.601
  310    H    GLN  41           H        GLN  41  -4.724   1.475   7.628
  311    HA   GLN  41           HA       GLN  41  -4.455  -0.728   5.690
  312   1HB   GLN  41          2HB       GLN  41  -6.030   1.782   5.752
  313   2HB   GLN  41          1HB       GLN  41  -5.380   1.313   4.185
  314   1HG   GLN  41          2HG       GLN  41  -6.518  -0.999   5.297
  315   2HG   GLN  41          1HG       GLN  41  -7.666   0.310   5.575
  316   1HE2  GLN  41          1HE2      GLN  41  -6.485  -1.929   3.363
  317   2HE2  GLN  41          2HE2      GLN  41  -7.264  -1.324   1.950
  318    H    GLU  42           H        GLU  42  -2.801  -0.799   4.359
  319    HA   GLU  42           HA       GLU  42  -1.305   1.552   3.617
  320   1HB   GLU  42          2HB       GLU  42  -0.023  -0.646   5.233
  321   2HB   GLU  42          1HB       GLU  42   0.862   0.624   4.395
  322   1HG   GLU  42          2HG       GLU  42   0.736   1.780   6.280
  323   2HG   GLU  42          1HG       GLU  42  -0.966   2.017   5.911
  324    H    LEU  43           H        LEU  43   0.294   1.130   1.926
  325    HA   LEU  43           HA       LEU  43  -0.472  -1.174   0.294
  326   1HB   LEU  43          2HB       LEU  43   1.467   0.950  -0.543
  327   2HB   LEU  43          1HB       LEU  43   0.443  -0.049  -1.547
  328    HG   LEU  43           HG       LEU  43  -1.394   1.389  -0.091
  329   1HD1  LEU  43          1HD1      LEU  43  -0.701   3.470   0.391
  330   2HD1  LEU  43          2HD1      LEU  43   0.352   3.555  -1.020
  331   3HD1  LEU  43          3HD1      LEU  43   0.898   2.729   0.438
  332   1HD2  LEU  43          1HD2      LEU  43  -1.242   0.851  -2.564
  333   2HD2  LEU  43          2HD2      LEU  43  -0.258   2.311  -2.711
  334   3HD2  LEU  43          3HD2      LEU  43  -1.919   2.424  -2.138
  335    H    ILE  44           H        ILE  44   0.963  -2.776  -0.266
  336    HA   ILE  44           HA       ILE  44   3.717  -2.543   0.649
  337    HB   ILE  44           HB       ILE  44   2.104  -4.939   1.485
  338   1HG1  ILE  44          2HG1      ILE  44   2.822  -2.497   3.129
  339   2HG1  ILE  44          1HG1      ILE  44   1.203  -2.967   2.625
  340   1HG2  ILE  44          1HG2      ILE  44   4.288  -4.603   3.164
  341   2HG2  ILE  44          2HG2      ILE  44   4.903  -4.210   1.559
  342   3HG2  ILE  44          3HG2      ILE  44   4.134  -5.768   1.852
  343   1HD1  ILE  44          1HD1      ILE  44   2.914  -4.738   4.331
  344   2HD1  ILE  44          2HD1      ILE  44   1.184  -4.802   4.067
  345   3HD1  ILE  44          3HD1      ILE  44   1.867  -3.494   5.009
  346    H    PHE  45           H        PHE  45   5.135  -3.502  -0.666
  347    HA   PHE  45           HA       PHE  45   4.129  -4.972  -2.957
  348   1HB   PHE  45          2HB       PHE  45   6.675  -3.640  -2.232
  349   2HB   PHE  45          1HB       PHE  45   6.795  -5.010  -3.320
  350    HD1  PHE  45           1HD      PHE  45   5.711  -1.563  -2.924
  351    HD2  PHE  45           2HD      PHE  45   5.744  -4.928  -5.531
  352    HE1  PHE  45           1HE      PHE  45   5.079  -0.108  -4.803
  353    HE2  PHE  45           2HE      PHE  45   5.113  -3.479  -7.415
  354    HZ   PHE  45           HZ       PHE  45   4.778  -1.065  -7.053
  355    H    ALA  46           H        ALA  46   4.189  -6.070  -0.115
  356    HA   ALA  46           HA       ALA  46   4.438  -8.132   0.840
  357   1HB   ALA  46          1HB       ALA  46   5.641  -9.199  -1.700
  358   2HB   ALA  46          2HB       ALA  46   3.912  -8.864  -1.591
  359   3HB   ALA  46          3HB       ALA  46   4.654 -10.033  -0.499
  360    H    GLY  47           H        GLY  47   7.134  -7.714  -1.448
  361   1HA   GLY  47          2HA       GLY  47   9.036  -8.289   0.723
  362   2HA   GLY  47          1HA       GLY  47   9.387  -8.353  -1.002
  363    H    LYS  48           H        LYS  48   7.685  -5.689  -1.023
  364    HA   LYS  48           HA       LYS  48   9.884  -3.935  -0.123
  365   1HB   LYS  48          2HB       LYS  48   8.597  -4.187  -2.752
  366   2HB   LYS  48          1HB       LYS  48   8.668  -2.535  -2.154
  367   1HG   LYS  48          2HG       LYS  48  10.833  -2.375  -2.608
  368   2HG   LYS  48          1HG       LYS  48  11.183  -3.904  -1.799
  369   1HD   LYS  48          2HD       LYS  48  10.280  -5.039  -3.890
  370   2HD   LYS  48          1HD       LYS  48  10.345  -3.453  -4.653
  371   1HE   LYS  48          2HE       LYS  48  12.344  -4.823  -5.118
  372   2HE   LYS  48          1HE       LYS  48  12.726  -3.320  -4.270
  373   1HZ   LYS  48          1HZ       LYS  48  12.559  -4.804  -2.179
  374   2HZ   LYS  48          2HZ       LYS  48  13.956  -4.868  -3.123
  375   3HZ   LYS  48          3HZ       LYS  48  12.787  -6.083  -3.260
  376    H    GLN  49           H        GLN  49   9.125  -2.869   1.595
  377    HA   GLN  49           HA       GLN  49   6.289  -2.294   1.835
  378   1HB   GLN  49          2HB       GLN  49   7.611  -3.163   3.757
  379   2HB   GLN  49          1HB       GLN  49   8.534  -1.668   3.757
  380   1HG   GLN  49          2HG       GLN  49   6.623  -0.391   4.361
  381   2HG   GLN  49          1HG       GLN  49   5.551  -1.768   4.115
  382   1HE2  GLN  49          1HE2      GLN  49   5.104  -3.030   5.814
  383   2HE2  GLN  49          2HE2      GLN  49   5.907  -2.959   7.344
  384    H    LEU  50           H        LEU  50   5.352  -0.336   1.652
  385    HA   LEU  50           HA       LEU  50   6.913   1.807   0.502
  386   1HB   LEU  50          2HB       LEU  50   4.125   1.007   0.592
  387   2HB   LEU  50          1HB       LEU  50   4.315   2.722   0.892
  388    HG   LEU  50           HG       LEU  50   3.917   2.071  -1.509
  389   1HD1  LEU  50          1HD1      LEU  50   4.746   4.243  -1.103
  390   2HD1  LEU  50          2HD1      LEU  50   5.764   3.558  -2.368
  391   3HD1  LEU  50          3HD1      LEU  50   6.356   3.636  -0.712
  392   1HD2  LEU  50          1HD2      LEU  50   5.943   1.308  -2.746
  393   2HD2  LEU  50          2HD2      LEU  50   5.244   0.090  -1.679
  394   3HD2  LEU  50          3HD2      LEU  50   6.698   0.961  -1.194
  395    H    GLU  51           H        GLU  51   6.811   3.986   1.242
  396    HA   GLU  51           HA       GLU  51   6.872   4.157   4.168
  397   1HB   GLU  51          2HB       GLU  51   8.194   5.591   1.943
  398   2HB   GLU  51          1HB       GLU  51   7.774   6.564   3.346
  399   1HG   GLU  51          2HG       GLU  51   9.673   5.893   4.248
  400   2HG   GLU  51          1HG       GLU  51   8.925   4.308   4.429
  401    H    ASP  52           H        ASP  52   5.398   5.241   5.299
  402    HA   ASP  52           HA       ASP  52   3.032   6.192   4.057
  403   1HB   ASP  52          2HB       ASP  52   3.877   6.746   6.902
  404   2HB   ASP  52          1HB       ASP  52   2.242   6.664   6.257
  405    H    GLY  53           H        GLY  53   5.956   7.757   5.186
  406   1HA   GLY  53          2HA       GLY  53   4.874  10.427   5.094
  407   2HA   GLY  53          1HA       GLY  53   6.568   9.994   5.251
  408    H    ARG  54           H        ARG  54   5.227   8.357   2.651
  409    HA   ARG  54           HA       ARG  54   6.409  10.282   0.789
  410   1HB   ARG  54          2HB       ARG  54   5.673   7.392   0.309
  411   2HB   ARG  54          1HB       ARG  54   6.587   8.435  -0.771
  412   1HG   ARG  54          2HG       ARG  54   7.441   7.483   1.940
  413   2HG   ARG  54          1HG       ARG  54   8.068   6.925   0.392
  414   1HD   ARG  54          2HD       ARG  54   8.352   9.699   0.353
  415   2HD   ARG  54          1HD       ARG  54   8.817   9.220   1.979
  416    HE   ARG  54           HE       ARG  54  10.148   8.484  -0.511
  417   1HH1  ARG  54          1HH1      ARG  54   9.952   8.137   2.962
  418   2HH1  ARG  54          2HH1      ARG  54  11.553   7.510   3.113
  419   1HH2  ARG  54          1HH2      ARG  54  12.258   7.641  -0.302
  420   2HH2  ARG  54          2HH2      ARG  54  12.860   7.225   1.270
  421    H    THR  55           H        THR  55   5.255  11.249  -0.780
  422    HA   THR  55           HA       THR  55   2.374  10.951  -0.680
  423    HB   THR  55           HB       THR  55   2.937  12.869  -2.606
  424    HG1  THR  55           1HG      THR  55   5.025  13.145  -2.194
  425   1HG2  THR  55          1HG2      THR  55   2.645  13.463   0.316
  426   2HG2  THR  55          2HG2      THR  55   1.304  12.999  -0.730
  427   3HG2  THR  55          3HG2      THR  55   2.202  14.481  -1.052
  428    H    LEU  56           H        LEU  56   1.293  11.376  -2.988
  429    HA   LEU  56           HA       LEU  56   1.499   8.990  -4.389
  430   1HB   LEU  56          2HB       LEU  56  -0.455  10.440  -4.488
  431   2HB   LEU  56          1HB       LEU  56   0.468  11.650  -5.359
  432    HG   LEU  56           HG       LEU  56   0.661   9.191  -6.792
  433   1HD1  LEU  56          1HD1      LEU  56  -2.136   9.829  -7.011
  434   2HD1  LEU  56          2HD1      LEU  56  -1.738   9.281  -5.384
  435   3HD1  LEU  56          3HD1      LEU  56  -1.349   8.269  -6.769
  436   1HD2  LEU  56          1HD2      LEU  56  -0.638  10.610  -8.476
  437   2HD2  LEU  56          2HD2      LEU  56   0.936  11.202  -7.945
  438   3HD2  LEU  56          3HD2      LEU  56  -0.538  11.880  -7.271
  439    H    SER  57           H        SER  57   2.694  12.187  -5.408
  440    HA   SER  57           HA       SER  57   3.937  11.419  -7.771
  441   1HB   SER  57          2HB       SER  57   4.532  13.655  -5.836
  442   2HB   SER  57          1HB       SER  57   5.424  13.459  -7.345
  443    HG   SER  57           HG       SER  57   3.618  14.868  -7.555
  444    H    ASP  58           H        ASP  58   5.001  11.048  -4.480
  445    HA   ASP  58           HA       ASP  58   7.756  10.629  -4.971
  446   1HB   ASP  58          2HB       ASP  58   6.059  10.682  -2.719
  447   2HB   ASP  58          1HB       ASP  58   6.814   9.092  -2.714
  448    H    TYR  59           H        TYR  59   4.959   8.586  -5.277
  449    HA   TYR  59           HA       TYR  59   6.661   6.454  -6.336
  450   1HB   TYR  59          2HB       TYR  59   4.781   6.191  -4.013
  451   2HB   TYR  59          1HB       TYR  59   5.017   4.829  -5.102
  452    HD1  TYR  59           1HD      TYR  59   6.908   7.227  -2.974
  453    HD2  TYR  59           2HD      TYR  59   6.808   3.388  -4.796
  454    HE1  TYR  59           1HE      TYR  59   8.957   6.612  -1.766
  455    HE2  TYR  59           2HE      TYR  59   8.856   2.755  -3.592
  456    HH   TYR  59           HH       TYR  59  10.797   5.034  -1.959
  457    H    ASN  60           H        ASN  60   5.037   8.358  -7.619
  458    HA   ASN  60           HA       ASN  60   2.552   7.154  -8.388
  459   1HB   ASN  60          2HB       ASN  60   2.925   9.633  -8.243
  460   2HB   ASN  60          1HB       ASN  60   3.967   9.503  -9.658
  461   1HD2  ASN  60          1HD2      ASN  60   2.748  10.662 -11.061
  462   2HD2  ASN  60          2HD2      ASN  60   1.174  10.183 -11.591
  463    H    ILE  61           H        ILE  61   2.829   5.327  -9.440
  464    HA   ILE  61           HA       ILE  61   4.827   4.896 -11.474
  465    HB   ILE  61           HB       ILE  61   2.426   3.126 -11.017
  466   1HG1  ILE  61          2HG1      ILE  61   4.288   1.915  -9.509
  467   2HG1  ILE  61          1HG1      ILE  61   4.770   3.586  -9.243
  468   1HG2  ILE  61          1HG2      ILE  61   3.560   1.548 -12.171
  469   2HG2  ILE  61          2HG2      ILE  61   5.129   2.062 -11.548
  470   3HG2  ILE  61          3HG2      ILE  61   4.371   2.947 -12.854
  471   1HD1  ILE  61          1HD1      ILE  61   2.634   4.123  -8.333
  472   2HD1  ILE  61          2HD1      ILE  61   3.212   2.662  -7.542
  473   3HD1  ILE  61          3HD1      ILE  61   1.983   2.554  -8.798
  474    H    GLN  62           H        GLN  62   4.102   4.082 -13.666
  475    HA   GLN  62           HA       GLN  62   2.249   6.005 -14.765
  476   1HB   GLN  62          2HB       GLN  62   3.882   3.935 -16.236
  477   2HB   GLN  62          1HB       GLN  62   3.127   5.377 -16.912
  478   1HG   GLN  62          2HG       GLN  62   5.006   6.487 -16.581
  479   2HG   GLN  62          1HG       GLN  62   4.818   6.255 -14.842
  480   1HE2  GLN  62          1HE2      GLN  62   6.293   5.073 -13.813
  481   2HE2  GLN  62          2HE2      GLN  62   7.490   4.084 -14.568
  482    H    LYS  63           H        LYS  63   0.728   5.329 -16.441
  483    HA   LYS  63           HA       LYS  63  -1.362   3.863 -15.610
  484   1HB   LYS  63          2HB       LYS  63  -1.981   3.515 -18.011
  485   2HB   LYS  63          1HB       LYS  63  -1.554   5.172 -17.595
  486   1HG   LYS  63          2HG       LYS  63   0.183   5.200 -18.999
  487   2HG   LYS  63          1HG       LYS  63   0.708   3.578 -18.539
  488   1HD   LYS  63          2HD       LYS  63  -0.507   2.571 -20.180
  489   2HD   LYS  63          1HD       LYS  63  -1.780   3.793 -20.135
  490   1HE   LYS  63          2HE       LYS  63  -0.473   5.322 -21.402
  491   2HE   LYS  63          1HE       LYS  63   0.972   4.324 -21.232
  492   1HZ   LYS  63          1HZ       LYS  63  -1.091   2.809 -22.415
  493   2HZ   LYS  63          2HZ       LYS  63   0.416   3.226 -23.056
  494   3HZ   LYS  63          3HZ       LYS  63  -0.907   4.253 -23.272
  495    H    GLU  64           H        GLU  64  -2.044   1.807 -15.473
  496    HA   GLU  64           HA       GLU  64  -2.092  -0.481 -15.601
  497   1HB   GLU  64          2HB       GLU  64  -1.382  -0.208 -17.990
  498   2HB   GLU  64          1HB       GLU  64   0.295  -0.284 -17.458
  499   1HG   GLU  64          2HG       GLU  64  -1.221  -2.511 -16.432
  500   2HG   GLU  64          1HG       GLU  64  -1.342  -2.408 -18.191
  501    H    SER  65           H        SER  65  -1.548  -0.386 -13.426
  502    HA   SER  65           HA       SER  65   0.890  -1.743 -12.738
  503   1HB   SER  65          2HB       SER  65   1.770  -0.072 -11.214
  504   2HB   SER  65          1HB       SER  65   1.613   0.652 -12.816
  505    HG   SER  65           HG       SER  65  -0.672   1.054 -11.538
  506    H    THR  66           H        THR  66   0.214  -3.236 -11.359
  507    HA   THR  66           HA       THR  66  -2.276  -2.999  -9.966
  508    HB   THR  66           HB       THR  66  -0.280  -5.143  -9.351
  509    HG1  THR  66           1HG      THR  66  -0.251  -5.764 -11.334
  510   1HG2  THR  66          1HG2      THR  66  -2.782  -4.888  -8.492
  511   2HG2  THR  66          2HG2      THR  66  -2.041  -6.454  -8.825
  512   3HG2  THR  66          3HG2      THR  66  -3.101  -5.707 -10.019
  513    H    LEU  67           H        LEU  67  -2.689  -2.801  -7.815
  514    HA   LEU  67           HA       LEU  67  -0.418  -2.019  -6.124
  515   1HB   LEU  67          2HB       LEU  67  -3.217  -0.955  -6.197
  516   2HB   LEU  67          1HB       LEU  67  -2.126  -0.631  -4.874
  517    HG   LEU  67           HG       LEU  67  -1.484   0.117  -7.720
  518   1HD1  LEU  67          1HD1      LEU  67  -2.556   1.998  -5.643
  519   2HD1  LEU  67          2HD1      LEU  67  -3.610   1.175  -6.785
  520   3HD1  LEU  67          3HD1      LEU  67  -2.354   2.267  -7.374
  521   1HD2  LEU  67          1HD2      LEU  67   0.058   0.001  -5.435
  522   2HD2  LEU  67          2HD2      LEU  67  -0.407   1.696  -5.539
  523   3HD2  LEU  67          3HD2      LEU  67   0.422   0.922  -6.895
  524    H    HIS  68           H        HIS  68  -0.247  -2.964  -4.110
  525    HA   HIS  68           HA       HIS  68  -2.382  -4.878  -3.397
  526   1HB   HIS  68          2HB       HIS  68  -0.031  -5.717  -4.179
  527   2HB   HIS  68          1HB       HIS  68   0.475  -5.250  -2.564
  528    HD1  HIS  68           1HD      HIS  68   0.830  -7.530  -1.568
  529    HD2  HIS  68           2HD      HIS  68  -2.908  -7.124  -3.336
  530    HE1  HIS  68           1HE      HIS  68  -0.441  -9.603  -0.931
  531    HE2  HIS  68           2HE      HIS  68  -2.685  -9.357  -2.052
  532    H    LEU  69           H        LEU  69  -3.343  -4.531  -1.494
  533    HA   LEU  69           HA       LEU  69  -1.833  -3.103   0.590
  534   1HB   LEU  69          2HB       LEU  69  -4.444  -2.442  -0.609
  535   2HB   LEU  69          1HB       LEU  69  -4.400  -2.389   1.143
  536    HG   LEU  69           HG       LEU  69  -2.108  -1.015   0.282
  537   1HD1  LEU  69          1HD1      LEU  69  -3.327   0.811  -1.049
  538   2HD1  LEU  69          2HD1      LEU  69  -4.496  -0.455  -1.423
  539   3HD1  LEU  69          3HD1      LEU  69  -2.809  -0.645  -1.896
  540   1HD2  LEU  69          1HD2      LEU  69  -2.905   0.636   1.636
  541   2HD2  LEU  69          2HD2      LEU  69  -3.901  -0.710   2.196
  542   3HD2  LEU  69          3HD2      LEU  69  -4.562   0.462   1.057
  543    H    VAL  70           H        VAL  70  -1.611  -4.297   2.302
  544    HA   VAL  70           HA       VAL  70  -3.635  -6.351   2.910
  545    HB   VAL  70           HB       VAL  70  -1.861  -7.576   4.105
  546   1HG1  VAL  70          1HG1      VAL  70  -0.496  -7.396   1.583
  547   2HG1  VAL  70          2HG1      VAL  70  -2.242  -7.311   1.341
  548   3HG1  VAL  70          3HG1      VAL  70  -1.538  -8.679   2.204
  549   1HG2  VAL  70          1HG2      VAL  70   0.026  -5.559   2.908
  550   2HG2  VAL  70          2HG2      VAL  70   0.447  -6.934   3.929
  551   3HG2  VAL  70          3HG2      VAL  70  -0.465  -5.581   4.603
  552    H    LEU  71           H        LEU  71  -4.454  -6.536   4.945
  553    HA   LEU  71           HA       LEU  71  -3.657  -4.453   6.864
  554   1HB   LEU  71          2HB       LEU  71  -5.917  -4.205   5.691
  555   2HB   LEU  71          1HB       LEU  71  -6.425  -5.572   6.640
  556    HG   LEU  71           HG       LEU  71  -5.230  -3.392   8.193
  557   1HD1  LEU  71          1HD1      LEU  71  -7.269  -2.033   8.119
  558   2HD1  LEU  71          2HD1      LEU  71  -7.896  -3.056   6.828
  559   3HD1  LEU  71          3HD1      LEU  71  -6.449  -2.086   6.562
  560   1HD2  LEU  71          1HD2      LEU  71  -7.909  -4.589   8.681
  561   2HD2  LEU  71          2HD2      LEU  71  -6.659  -4.110   9.826
  562   3HD2  LEU  71          3HD2      LEU  71  -6.483  -5.596   8.905
  563    H    ARG  72           H        ARG  72  -2.201  -6.125   7.706
  564    HA   ARG  72           HA       ARG  72  -3.226  -8.499   8.900
  565   1HB   ARG  72          2HB       ARG  72  -0.639  -6.986   9.295
  566   2HB   ARG  72          1HB       ARG  72  -0.997  -8.512  10.095
  567   1HG   ARG  72          2HG       ARG  72  -0.789  -8.053   7.127
  568   2HG   ARG  72          1HG       ARG  72   0.382  -8.885   8.146
  569   1HD   ARG  72          2HD       ARG  72  -0.748 -10.685   7.315
  570   2HD   ARG  72          1HD       ARG  72  -1.713 -10.369   8.749
  571    HE   ARG  72           HE       ARG  72  -2.805  -8.898   6.647
  572   1HH1  ARG  72          1HH1      ARG  72  -2.350 -12.236   7.552
  573   2HH1  ARG  72          2HH1      ARG  72  -3.754 -12.789   6.705
  574   1HH2  ARG  72          1HH2      ARG  72  -4.655  -9.621   5.530
  575   2HH2  ARG  72          2HH2      ARG  72  -5.062 -11.306   5.549
  576    H    LEU  73           H        LEU  73  -3.261  -8.919  11.288
  577    HA   LEU  73           HA       LEU  73  -4.400  -6.605  12.660
  578   1HB   LEU  73          2HB       LEU  73  -4.296  -9.520  13.452
  579   2HB   LEU  73          1HB       LEU  73  -5.116  -8.256  14.351
  580    HG   LEU  73           HG       LEU  73  -5.867  -8.742  11.500
  581   1HD1  LEU  73          1HD1      LEU  73  -6.555 -10.808  11.903
  582   2HD1  LEU  73          2HD1      LEU  73  -7.682 -10.159  13.091
  583   3HD1  LEU  73          3HD1      LEU  73  -6.078 -10.691  13.594
  584   1HD2  LEU  73          1HD2      LEU  73  -6.729  -7.026  13.533
  585   2HD2  LEU  73          2HD2      LEU  73  -7.988  -8.248  13.378
  586   3HD2  LEU  73          3HD2      LEU  73  -7.495  -7.311  11.970
  587    H    ARG  74           H        ARG  74  -3.590  -5.826  14.634
  588    HA   ARG  74           HA       ARG  74  -1.439  -7.001  16.031
  589   1HB   ARG  74          2HB       ARG  74  -0.518  -5.966  13.733
  590   2HB   ARG  74          1HB       ARG  74  -0.437  -4.528  14.747
  591   1HG   ARG  74          2HG       ARG  74   1.642  -5.397  15.085
  592   2HG   ARG  74          1HG       ARG  74   0.763  -6.154  16.415
  593   1HD   ARG  74          2HD       ARG  74   1.073  -8.202  15.585
  594   2HD   ARG  74          1HD       ARG  74   0.607  -7.699  13.962
  595    HE   ARG  74           HE       ARG  74   3.160  -6.704  14.453
  596   1HH1  ARG  74          1HH1      ARG  74   1.587  -9.802  14.105
  597   2HH1  ARG  74          2HH1      ARG  74   2.998 -10.583  13.473
  598   1HH2  ARG  74          1HH2      ARG  74   5.010  -7.733  13.608
  599   2HH2  ARG  74          2HH2      ARG  74   4.938  -9.414  13.193
  600    H    GLY  75           H        GLY  75  -3.999  -5.303  16.176
  601   1HA   GLY  75          2HA       GLY  75  -3.072  -3.064  17.802
  602   2HA   GLY  75          1HA       GLY  75  -4.720  -3.354  17.273
  603    H    GLY  76           H        GLY  76  -4.044  -6.286  18.310
  604   1HA   GLY  76          2HA       GLY  76  -3.844  -6.023  21.130
  605   2HA   GLY  76          1HA       GLY  76  -5.533  -6.132  20.660
  606    H    HIS  77           H        HIS  77  -3.056  -7.870  21.791
  607    HA   HIS  77           HA       HIS  77  -3.326 -10.275  20.236
  608   1HB   HIS  77          2HB       HIS  77  -1.307  -9.398  21.704
  609   2HB   HIS  77          1HB       HIS  77  -2.147 -10.260  22.985
  610    HD1  HIS  77           1HD      HIS  77   0.261 -10.769  20.339
  611    HD2  HIS  77           2HD      HIS  77  -2.578 -13.102  22.273
  612    HE1  HIS  77           1HE      HIS  77   0.891 -13.152  19.841
  613    HE2  HIS  77           2HE      HIS  77  -0.754 -14.535  21.140
  614    H    HIS  78           H        HIS  78  -3.949 -12.353  21.288
  615    HA   HIS  78           HA       HIS  78  -6.170 -11.958  23.174
  616   1HB   HIS  78          2HB       HIS  78  -6.914 -12.507  20.854
  617   2HB   HIS  78          1HB       HIS  78  -6.036 -14.024  20.971
  618    HD1  HIS  78           1HD      HIS  78  -7.109 -15.908  22.311
  619    HD2  HIS  78           2HD      HIS  78  -9.275 -12.364  22.415
  620    HE1  HIS  78           1HE      HIS  78  -9.321 -16.504  23.348
  621    HE2  HIS  78           2HE      HIS  78 -10.610 -14.341  23.419
  622    H    HIS  79           H        HIS  79  -6.147 -13.155  24.972
  623    HA   HIS  79           HA       HIS  79  -3.879 -14.721  25.631
  624   1HB   HIS  79          2HB       HIS  79  -5.550 -13.387  27.147
  625   2HB   HIS  79          1HB       HIS  79  -6.447 -14.900  27.166
  626    HD1  HIS  79           1HD      HIS  79  -4.683 -13.356  29.496
  627    HD2  HIS  79           2HD      HIS  79  -3.878 -16.935  27.541
  628    HE1  HIS  79           1HE      HIS  79  -3.152 -14.632  31.031
  629    HE2  HIS  79           2HE      HIS  79  -2.718 -16.815  29.850
  630    H    HIS  80           H        HIS  80  -3.486 -16.829  25.364
  631    HA   HIS  80           HA       HIS  80  -5.486 -18.479  24.066
  632   1HB   HIS  80          2HB       HIS  80  -2.634 -19.122  24.846
  633   2HB   HIS  80          1HB       HIS  80  -3.673 -20.114  23.827
  634    HD1  HIS  80           1HD      HIS  80  -2.721 -16.418  23.694
  635    HD2  HIS  80           2HD      HIS  80  -2.877 -19.797  21.284
  636    HE1  HIS  80           1HE      HIS  80  -1.966 -15.662  21.426
  637    HE2  HIS  80           2HE      HIS  80  -2.113 -17.708  19.969
  638    H    HIS  81           H        HIS  81  -6.356 -20.374  24.878
  639    HA   HIS  81           HA       HIS  81  -6.247 -20.609  27.808
  640   1HB   HIS  81          2HB       HIS  81  -8.252 -21.610  25.779
  641   2HB   HIS  81          1HB       HIS  81  -8.319 -21.998  27.494
  642    HD1  HIS  81           1HD      HIS  81  -9.612 -19.656  25.128
  643    HD2  HIS  81           2HD      HIS  81  -8.430 -19.455  29.104
  644    HE1  HIS  81           1HE      HIS  81 -10.685 -17.575  26.042
  645    HE2  HIS  81           2HE      HIS  81  -9.881 -17.426  28.426
  646    H    HIS  82           H        HIS  82  -5.190 -22.246  28.723
  647    HA   HIS  82           HA       HIS  82  -3.957 -24.287  27.126
  648   1HB   HIS  82          2HB       HIS  82  -3.392 -23.124  29.568
  649   2HB   HIS  82          1HB       HIS  82  -3.930 -24.739  30.015
  650    HD1  HIS  82           1HD      HIS  82  -2.714 -26.334  27.672
  651    HD2  HIS  82           2HD      HIS  82  -0.695 -23.401  29.811
  652    HE1  HIS  82           1HE      HIS  82  -0.271 -26.852  27.379
  653    HE2  HIS  82           2HE      HIS  82   0.923 -25.142  28.792
  Start of MODEL    7
    1   1H    MET   1          1HT       MET   1  -5.881   6.184 -15.597
    2   2H    MET   1          2HT       MET   1  -4.679   7.347 -15.225
    3   3H    MET   1          3HT       MET   1  -6.019   7.774 -16.201
    4    HA   MET   1           HA       MET   1  -5.743   7.809 -13.411
    5   1HB   MET   1          2HB       MET   1  -7.840   9.104 -13.661
    6   2HB   MET   1          1HB       MET   1  -6.572   9.635 -14.751
    7   1HG   MET   1          2HG       MET   1  -7.609   8.625 -16.611
    8   2HG   MET   1          1HG       MET   1  -8.744   7.745 -15.586
    9   1HE   MET   1          1HE       MET   1  -8.086  10.161 -17.827
   10   2HE   MET   1          2HE       MET   1  -8.508  11.765 -17.222
   11   3HE   MET   1          3HE       MET   1  -9.719  10.787 -18.060
   12    H    GLN   2           H        GLN   2  -6.029   5.082 -14.263
   13    HA   GLN   2           HA       GLN   2  -8.310   4.355 -12.634
   14   1HB   GLN   2          2HB       GLN   2  -8.079   3.745 -15.552
   15   2HB   GLN   2          1HB       GLN   2  -8.831   2.564 -14.489
   16   1HG   GLN   2          2HG       GLN   2  -9.899   5.178 -13.985
   17   2HG   GLN   2          1HG       GLN   2 -10.017   4.784 -15.697
   18   1HE2  GLN   2          1HE2      GLN   2 -11.898   4.923 -13.262
   19   2HE2  GLN   2          2HE2      GLN   2 -12.831   3.475 -13.398
   20    H    ILE   3           H        ILE   3  -7.479   3.061 -11.176
   21    HA   ILE   3           HA       ILE   3  -5.499   1.046 -12.024
   22    HB   ILE   3           HB       ILE   3  -4.628   1.143  -9.663
   23   1HG1  ILE   3          2HG1      ILE   3  -5.308   3.873  -9.159
   24   2HG1  ILE   3          1HG1      ILE   3  -6.799   2.963  -9.383
   25   1HG2  ILE   3          1HG2      ILE   3  -4.341   3.421 -11.584
   26   2HG2  ILE   3          2HG2      ILE   3  -3.257   2.056 -11.316
   27   3HG2  ILE   3          3HG2      ILE   3  -3.387   3.331 -10.105
   28   1HD1  ILE   3          1HD1      ILE   3  -6.584   1.918  -7.432
   29   2HD1  ILE   3          2HD1      ILE   3  -5.424   3.191  -7.049
   30   3HD1  ILE   3          3HD1      ILE   3  -4.859   1.637  -7.661
   31    H    PHE   4           H        PHE   4  -5.412  -0.873 -10.638
   32    HA   PHE   4           HA       PHE   4  -8.043  -1.532  -9.501
   33   1HB   PHE   4          2HB       PHE   4  -6.421  -2.921 -11.529
   34   2HB   PHE   4          1HB       PHE   4  -6.990  -3.961 -10.224
   35    HD1  PHE   4           1HD      PHE   4  -7.972  -1.905 -13.071
   36    HD2  PHE   4           2HD      PHE   4  -9.347  -4.376  -9.898
   37    HE1  PHE   4           1HE      PHE   4 -10.175  -2.060 -14.148
   38    HE2  PHE   4           2HE      PHE   4 -11.558  -4.536 -10.970
   39    HZ   PHE   4           HZ       PHE   4 -11.967  -3.387 -13.105
   40    H    VAL   5           H        VAL   5  -8.055  -2.518  -7.531
   41    HA   VAL   5           HA       VAL   5  -5.480  -3.336  -6.391
   42    HB   VAL   5           HB       VAL   5  -7.392  -1.536  -4.910
   43   1HG1  VAL   5          1HG1      VAL   5  -4.855  -1.444  -3.764
   44   2HG1  VAL   5          2HG1      VAL   5  -5.133  -3.151  -4.117
   45   3HG1  VAL   5          3HG1      VAL   5  -6.283  -2.257  -3.123
   46   1HG2  VAL   5          1HG2      VAL   5  -5.978   0.289  -5.335
   47   2HG2  VAL   5          2HG2      VAL   5  -6.163  -0.506  -6.895
   48   3HG2  VAL   5          3HG2      VAL   5  -4.687  -0.740  -5.957
   49    H    LYS   6           H        LYS   6  -5.544  -5.089  -5.156
   50    HA   LYS   6           HA       LYS   6  -8.113  -6.405  -4.777
   51   1HB   LYS   6          2HB       LYS   6  -5.789  -7.440  -5.569
   52   2HB   LYS   6          1HB       LYS   6  -5.560  -7.640  -3.837
   53   1HG   LYS   6          2HG       LYS   6  -6.449  -9.668  -4.635
   54   2HG   LYS   6          1HG       LYS   6  -7.772  -8.851  -3.805
   55   1HD   LYS   6          2HD       LYS   6  -8.646  -8.083  -5.943
   56   2HD   LYS   6          1HD       LYS   6  -7.301  -8.849  -6.787
   57   1HE   LYS   6          2HE       LYS   6  -9.339 -10.307  -5.108
   58   2HE   LYS   6          1HE       LYS   6  -9.385 -10.180  -6.869
   59   1HZ   LYS   6          1HZ       LYS   6  -6.956 -11.095  -6.602
   60   2HZ   LYS   6          2HZ       LYS   6  -8.287 -12.137  -6.649
   61   3HZ   LYS   6          3HZ       LYS   6  -7.586 -11.728  -5.165
   62    H    THR   7           H        THR   7  -9.192  -6.415  -2.924
   63    HA   THR   7           HA       THR   7  -7.982  -5.176  -0.579
   64    HB   THR   7           HB       THR   7 -10.251  -5.190   0.346
   65    HG1  THR   7           1HG      THR   7 -11.822  -6.297  -0.538
   66   1HG2  THR   7          1HG2      THR   7 -10.712  -4.314  -2.448
   67   2HG2  THR   7          2HG2      THR   7  -9.456  -3.513  -1.515
   68   3HG2  THR   7          3HG2      THR   7 -11.122  -3.514  -0.935
   69    H    LEU   8           H        LEU   8  -9.098  -6.262   1.560
   70    HA   LEU   8           HA       LEU   8  -7.730  -8.778   1.799
   71   1HB   LEU   8          2HB       LEU   8  -9.442  -7.222   3.736
   72   2HB   LEU   8          1HB       LEU   8  -8.608  -8.710   4.140
   73    HG   LEU   8           HG       LEU   8  -6.484  -7.400   3.316
   74   1HD1  LEU   8          1HD1      LEU   8  -6.967  -4.959   4.260
   75   2HD1  LEU   8          2HD1      LEU   8  -8.571  -5.320   3.627
   76   3HD1  LEU   8          3HD1      LEU   8  -7.170  -5.365   2.556
   77   1HD2  LEU   8          1HD2      LEU   8  -6.467  -6.336   5.698
   78   2HD2  LEU   8          2HD2      LEU   8  -6.401  -8.080   5.506
   79   3HD2  LEU   8          3HD2      LEU   8  -7.923  -7.290   5.923
   80    H    THR   9           H        THR   9 -10.979  -7.739   1.223
   81    HA   THR   9           HA       THR   9 -12.152 -10.297   1.919
   82    HB   THR   9           HB       THR   9 -14.252  -9.308   1.167
   83    HG1  THR   9           1HG      THR   9 -13.952  -6.924   0.608
   84   1HG2  THR   9          1HG2      THR   9 -14.567  -7.808   2.850
   85   2HG2  THR   9          2HG2      THR   9 -12.988  -7.052   2.622
   86   3HG2  THR   9          3HG2      THR   9 -13.108  -8.625   3.412
   87    H    GLY  10           H        GLY  10 -10.508  -9.047  -0.754
   88   1HA   GLY  10          2HA       GLY  10  -9.985 -10.385  -2.643
   89   2HA   GLY  10          1HA       GLY  10 -11.491 -11.260  -2.406
   90    H    ALA  11           H        ALA  11 -12.290  -8.169  -1.963
   91    HA   ALA  11           HA       ALA  11 -13.402  -7.919  -4.645
   92   1HB   ALA  11          1HB       ALA  11 -13.898  -6.465  -2.065
   93   2HB   ALA  11          2HB       ALA  11 -14.992  -7.524  -2.957
   94   3HB   ALA  11          3HB       ALA  11 -14.591  -5.927  -3.594
   95    H    THR  12           H        THR  12 -12.167  -6.971  -6.153
   96    HA   THR  12           HA       THR  12 -10.074  -5.154  -5.542
   97    HB   THR  12           HB       THR  12  -9.907  -4.871  -7.998
   98    HG1  THR  12           1HG      THR  12 -12.125  -6.619  -8.151
   99   1HG2  THR  12          1HG2      THR  12 -10.286  -7.712  -8.127
  100   2HG2  THR  12          2HG2      THR  12  -9.494  -7.258  -6.621
  101   3HG2  THR  12          3HG2      THR  12  -8.797  -6.769  -8.160
  102    H    ILE  13           H        ILE  13 -10.072  -2.972  -5.512
  103    HA   ILE  13           HA       ILE  13 -12.646  -1.629  -6.022
  104    HB   ILE  13           HB       ILE  13 -11.794   0.133  -4.449
  105   1HG1  ILE  13          2HG1      ILE  13  -9.804  -1.977  -3.601
  106   2HG1  ILE  13          1HG1      ILE  13  -9.380  -0.628  -4.650
  107   1HG2  ILE  13          1HG2      ILE  13 -13.163  -0.892  -3.045
  108   2HG2  ILE  13          2HG2      ILE  13 -11.864  -1.990  -2.574
  109   3HG2  ILE  13          3HG2      ILE  13 -12.930  -2.408  -3.916
  110   1HD1  ILE  13          1HD1      ILE  13  -9.167   0.740  -2.919
  111   2HD1  ILE  13          2HD1      ILE  13  -9.303  -0.679  -1.891
  112   3HD1  ILE  13          3HD1      ILE  13 -10.737   0.276  -2.262
  113    H    THR  14           H        THR  14 -12.741   0.062  -7.334
  114    HA   THR  14           HA       THR  14 -10.339   0.806  -8.832
  115    HB   THR  14           HB       THR  14 -11.908   1.893 -10.387
  116    HG1  THR  14           1HG      THR  14 -14.194   0.881  -9.362
  117   1HG2  THR  14          1HG2      THR  14 -13.204  -0.729  -9.884
  118   2HG2  THR  14          2HG2      THR  14 -11.498  -0.695 -10.327
  119   3HG2  THR  14          3HG2      THR  14 -12.703   0.015 -11.402
  120    H    LEU  15           H        LEU  15  -9.278   2.698  -8.467
  121    HA   LEU  15           HA       LEU  15 -10.760   4.909  -7.245
  122   1HB   LEU  15          2HB       LEU  15  -8.190   3.751  -6.189
  123   2HB   LEU  15          1HB       LEU  15  -8.802   5.330  -5.728
  124    HG   LEU  15           HG       LEU  15 -10.954   4.000  -5.055
  125   1HD1  LEU  15          1HD1      LEU  15  -9.366   1.888  -5.947
  126   2HD1  LEU  15          2HD1      LEU  15 -10.876   1.781  -5.040
  127   3HD1  LEU  15          3HD1      LEU  15  -9.333   1.784  -4.189
  128   1HD2  LEU  15          1HD2      LEU  15  -8.418   4.492  -3.663
  129   2HD2  LEU  15          2HD2      LEU  15  -9.498   3.333  -2.886
  130   3HD2  LEU  15          3HD2      LEU  15 -10.063   4.967  -3.239
  131    H    GLU  16           H        GLU  16  -9.576   6.943  -7.263
  132    HA   GLU  16           HA       GLU  16  -7.872   7.188  -9.657
  133   1HB   GLU  16          2HB       GLU  16 -10.150   8.285  -9.727
  134   2HB   GLU  16          1HB       GLU  16  -9.601   9.351  -8.442
  135   1HG   GLU  16          2HG       GLU  16  -7.645   9.859 -10.090
  136   2HG   GLU  16          1HG       GLU  16  -8.763   9.234 -11.300
  137    H    VAL  17           H        VAL  17  -5.864   8.059  -9.407
  138    HA   VAL  17           HA       VAL  17  -5.068   8.722  -6.701
  139    HB   VAL  17           HB       VAL  17  -2.763   8.895  -7.744
  140   1HG1  VAL  17          1HG1      VAL  17  -4.403   6.567  -7.211
  141   2HG1  VAL  17          2HG1      VAL  17  -2.721   6.890  -6.787
  142   3HG1  VAL  17          3HG1      VAL  17  -3.119   6.220  -8.368
  143   1HG2  VAL  17          1HG2      VAL  17  -3.189   7.288 -10.004
  144   2HG2  VAL  17          2HG2      VAL  17  -2.626   8.957  -9.961
  145   3HG2  VAL  17          3HG2      VAL  17  -4.345   8.613 -10.127
  146    H    GLU  18           H        GLU  18  -3.467  10.534  -6.443
  147    HA   GLU  18           HA       GLU  18  -3.856  12.843  -8.143
  148   1HB   GLU  18          2HB       GLU  18  -5.001  12.593  -5.399
  149   2HB   GLU  18          1HB       GLU  18  -4.363  14.149  -5.907
  150   1HG   GLU  18          2HG       GLU  18  -6.256  12.713  -7.692
  151   2HG   GLU  18          1HG       GLU  18  -6.879  13.547  -6.271
  152    H    SER  19           H        SER  19  -2.307  14.505  -7.773
  153    HA   SER  19           HA       SER  19   0.223  13.552  -6.892
  154   1HB   SER  19          2HB       SER  19   0.877  16.008  -7.189
  155   2HB   SER  19          1HB       SER  19   0.233  15.200  -8.616
  156    HG   SER  19           HG       SER  19  -0.939  17.151  -6.985
  157    H    SER  20           H        SER  20  -2.281  15.590  -5.566
  158    HA   SER  20           HA       SER  20  -0.800  16.250  -3.175
  159   1HB   SER  20          2HB       SER  20  -2.981  17.310  -2.473
  160   2HB   SER  20          1HB       SER  20  -2.324  17.929  -3.987
  161    HG   SER  20           HG       SER  20  -4.715  17.054  -3.649
  162    H    ASP  21           H        ASP  21  -2.024  13.420  -4.086
  163    HA   ASP  21           HA       ASP  21  -3.528  12.719  -1.717
  164   1HB   ASP  21          2HB       ASP  21  -3.106  11.582  -4.332
  165   2HB   ASP  21          1HB       ASP  21  -2.839  10.368  -3.083
  166    H    THR  22           H        THR  22  -2.510  12.364   0.144
  167    HA   THR  22           HA       THR  22   0.142  11.080   0.082
  168    HB   THR  22           HB       THR  22   0.494  12.104   2.316
  169    HG1  THR  22           1HG      THR  22  -0.988  13.424   3.190
  170   1HG2  THR  22          1HG2      THR  22  -0.329  14.406   0.639
  171   2HG2  THR  22          2HG2      THR  22   0.923  13.327   0.023
  172   3HG2  THR  22          3HG2      THR  22   1.147  14.145   1.569
  173    H    ILE  23           H        ILE  23   0.626   9.706   2.029
  174    HA   ILE  23           HA       ILE  23  -1.215   7.614   2.236
  175    HB   ILE  23           HB       ILE  23   0.865   8.238   4.326
  176   1HG1  ILE  23          2HG1      ILE  23   1.880   8.387   2.091
  177   2HG1  ILE  23          1HG1      ILE  23   2.463   6.972   2.960
  178   1HG2  ILE  23          1HG2      ILE  23   0.963   5.765   4.503
  179   2HG2  ILE  23          2HG2      ILE  23  -0.377   5.668   3.368
  180   3HG2  ILE  23          3HG2      ILE  23  -0.604   6.439   4.939
  181   1HD1  ILE  23          1HD1      ILE  23   0.651   7.149   0.602
  182   2HD1  ILE  23          2HD1      ILE  23   0.547   5.759   1.680
  183   3HD1  ILE  23          3HD1      ILE  23   2.065   6.124   0.856
  184    H    ASP  24           H        ASP  24  -1.032  10.602   3.929
  185    HA   ASP  24           HA       ASP  24  -2.678   9.750   6.156
  186   1HB   ASP  24          2HB       ASP  24  -0.839  11.690   5.954
  187   2HB   ASP  24          1HB       ASP  24  -2.275  12.637   5.577
  188    H    ASN  25           H        ASN  25  -3.064  11.958   3.375
  189    HA   ASN  25           HA       ASN  25  -5.718  12.683   3.827
  190   1HB   ASN  25          2HB       ASN  25  -3.786  12.935   1.707
  191   2HB   ASN  25          1HB       ASN  25  -5.363  12.550   1.026
  192   1HD2  ASN  25          1HD2      ASN  25  -7.107  13.818   2.568
  193   2HD2  ASN  25          2HD2      ASN  25  -6.846  15.525   2.537
  194    H    VAL  26           H        VAL  26  -4.439  10.034   1.838
  195    HA   VAL  26           HA       VAL  26  -6.849   9.033   0.868
  196    HB   VAL  26           HB       VAL  26  -5.648   6.818   0.726
  197   1HG1  VAL  26          1HG1      VAL  26  -3.919   7.727  -0.901
  198   2HG1  VAL  26          2HG1      VAL  26  -4.473   9.334  -0.424
  199   3HG1  VAL  26          3HG1      VAL  26  -5.595   8.202  -1.175
  200   1HG2  VAL  26          1HG2      VAL  26  -3.007   7.677   1.125
  201   2HG2  VAL  26          2HG2      VAL  26  -3.898   6.475   2.058
  202   3HG2  VAL  26          3HG2      VAL  26  -3.895   8.164   2.566
  203    H    LYS  27           H        LYS  27  -5.097   8.241   3.821
  204    HA   LYS  27           HA       LYS  27  -6.765   6.190   4.750
  205   1HB   LYS  27          2HB       LYS  27  -4.514   6.637   5.643
  206   2HB   LYS  27          1HB       LYS  27  -5.101   8.122   6.381
  207   1HG   LYS  27          2HG       LYS  27  -6.836   6.421   7.468
  208   2HG   LYS  27          1HG       LYS  27  -5.501   5.305   7.186
  209   1HD   LYS  27          2HD       LYS  27  -5.124   6.123   9.346
  210   2HD   LYS  27          1HD       LYS  27  -4.033   7.063   8.328
  211   1HE   LYS  27          2HE       LYS  27  -5.406   8.963   8.426
  212   2HE   LYS  27          1HE       LYS  27  -6.785   8.036   9.016
  213   1HZ   LYS  27          1HZ       LYS  27  -4.285   8.523  10.546
  214   2HZ   LYS  27          2HZ       LYS  27  -5.654   7.701  11.104
  215   3HZ   LYS  27          3HZ       LYS  27  -5.742   9.358  10.770
  216    H    SER  28           H        SER  28  -6.802   9.655   5.458
  217    HA   SER  28           HA       SER  28  -8.868   9.683   7.314
  218   1HB   SER  28          2HB       SER  28  -9.235  12.071   6.085
  219   2HB   SER  28          1HB       SER  28  -7.951  11.751   7.249
  220    HG   SER  28           HG       SER  28  -6.836  11.003   5.145
  221    H    LYS  29           H        LYS  29  -9.025   9.434   3.837
  222    HA   LYS  29           HA       LYS  29 -11.751  10.116   3.545
  223   1HB   LYS  29          2HB       LYS  29  -9.685   9.617   1.820
  224   2HB   LYS  29          1HB       LYS  29 -10.673   8.178   1.613
  225   1HG   LYS  29          2HG       LYS  29 -11.902  10.898   1.488
  226   2HG   LYS  29          1HG       LYS  29 -11.088  10.203   0.085
  227   1HD   LYS  29          2HD       LYS  29 -13.030   9.210  -0.390
  228   2HD   LYS  29          1HD       LYS  29 -12.712   8.152   0.986
  229   1HE   LYS  29          2HE       LYS  29 -13.839   9.906   2.424
  230   2HE   LYS  29          1HE       LYS  29 -14.361  10.672   0.921
  231   1HZ   LYS  29          1HZ       LYS  29 -16.012   9.227   0.756
  232   2HZ   LYS  29          2HZ       LYS  29 -15.600   8.601   2.274
  233   3HZ   LYS  29          3HZ       LYS  29 -14.958   7.907   0.870
  234    H    ILE  30           H        ILE  30 -10.529   7.558   5.233
  235    HA   ILE  30           HA       ILE  30 -12.435   5.570   4.350
  236    HB   ILE  30           HB       ILE  30 -10.757   5.495   6.862
  237   1HG1  ILE  30          2HG1      ILE  30 -10.106   4.539   4.061
  238   2HG1  ILE  30          1HG1      ILE  30  -9.302   5.840   4.922
  239   1HG2  ILE  30          1HG2      ILE  30 -11.141   2.951   5.735
  240   2HG2  ILE  30          2HG2      ILE  30 -12.710   3.752   5.686
  241   3HG2  ILE  30          3HG2      ILE  30 -11.853   3.586   7.216
  242   1HD1  ILE  30          1HD1      ILE  30  -7.810   4.298   5.499
  243   2HD1  ILE  30          2HD1      ILE  30  -8.884   2.969   5.058
  244   3HD1  ILE  30          3HD1      ILE  30  -9.029   3.728   6.631
  245    H    GLN  31           H        GLN  31 -13.337   8.224   5.361
  246    HA   GLN  31           HA       GLN  31 -14.674   7.574   7.865
  247   1HB   GLN  31          2HB       GLN  31 -14.081  10.017   6.347
  248   2HB   GLN  31          1HB       GLN  31 -15.670  10.010   7.097
  249   1HG   GLN  31          2HG       GLN  31 -14.837  10.244   9.161
  250   2HG   GLN  31          1HG       GLN  31 -13.515   9.118   8.863
  251   1HE2  GLN  31          1HE2      GLN  31 -12.595  11.001  10.275
  252   2HE2  GLN  31          2HE2      GLN  31 -11.790  12.238   9.374
  253    H    ALA  32           H        ALA  32 -15.406   6.059   5.503
  254    HA   ALA  32           HA       ALA  32 -18.146   7.010   5.038
  255   1HB   ALA  32          1HB       ALA  32 -17.079   6.698   2.975
  256   2HB   ALA  32          2HB       ALA  32 -18.104   5.277   3.183
  257   3HB   ALA  32          3HB       ALA  32 -16.368   5.165   3.478
  258    H    ALA  33           H        ALA  33 -16.891   3.695   4.828
  259    HA   ALA  33           HA       ALA  33 -19.079   2.797   6.569
  260   1HB   ALA  33          1HB       ALA  33 -18.636   0.565   5.648
  261   2HB   ALA  33          2HB       ALA  33 -17.302   1.226   4.704
  262   3HB   ALA  33          3HB       ALA  33 -18.955   1.747   4.379
  263    HA   PRO  34           HA       PRO  34 -16.173   2.067   9.847
  264   1HB   PRO  34          2HB       PRO  34 -17.740   0.569  11.467
  265   2HB   PRO  34          1HB       PRO  34 -17.957   2.315  11.279
  266   1HG   PRO  34          2HG       PRO  34 -19.454   0.072   9.974
  267   2HG   PRO  34          1HG       PRO  34 -20.083   1.565  10.699
  268   1HD   PRO  34          2HD       PRO  34 -19.756   1.265   8.027
  269   2HD   PRO  34          1HD       PRO  34 -19.569   2.833   8.841
  270    H    GLY  35           H        GLY  35 -15.083   0.330  10.922
  271   1HA   GLY  35          2HA       GLY  35 -15.354  -2.365  10.574
  272   2HA   GLY  35          1HA       GLY  35 -14.526  -1.832   9.118
  273    H    ILE  36           H        ILE  36 -12.401  -1.780   9.184
  274    HA   ILE  36           HA       ILE  36 -11.047  -2.187  11.712
  275    HB   ILE  36           HB       ILE  36  -9.046  -2.621  10.388
  276   1HG1  ILE  36          2HG1      ILE  36  -9.512  -0.973   8.589
  277   2HG1  ILE  36          1HG1      ILE  36  -9.032  -2.548   7.977
  278   1HG2  ILE  36          1HG2      ILE  36 -11.330  -4.091   9.094
  279   2HG2  ILE  36          2HG2      ILE  36 -10.811  -4.398  10.754
  280   3HG2  ILE  36          3HG2      ILE  36  -9.698  -4.675   9.414
  281   1HD1  ILE  36          1HD1      ILE  36 -10.919  -1.392   6.771
  282   2HD1  ILE  36          2HD1      ILE  36 -11.898  -1.708   8.193
  283   3HD1  ILE  36          3HD1      ILE  36 -11.228  -3.052   7.281
  284    HA   PRO  37           HA       PRO  37  -9.566   1.951  12.209
  285   1HB   PRO  37          2HB       PRO  37  -6.942   1.606  12.909
  286   2HB   PRO  37          1HB       PRO  37  -8.295   1.340  14.013
  287   1HG   PRO  37          2HG       PRO  37  -6.702  -0.647  12.457
  288   2HG   PRO  37          1HG       PRO  37  -7.307  -0.751  14.117
  289   1HD   PRO  37          2HD       PRO  37  -8.510  -2.007  12.040
  290   2HD   PRO  37          1HD       PRO  37  -9.416  -1.389  13.434
  291    HA   PRO  38           HA       PRO  38  -8.194   2.663   7.936
  292   1HB   PRO  38          2HB       PRO  38  -8.173   5.431   9.063
  293   2HB   PRO  38          1HB       PRO  38  -8.835   4.850   7.540
  294   1HG   PRO  38          2HG       PRO  38 -10.447   5.388   9.569
  295   2HG   PRO  38          1HG       PRO  38 -10.741   3.985   8.529
  296   1HD   PRO  38          2HD       PRO  38  -9.651   4.091  11.300
  297   2HD   PRO  38          1HD       PRO  38 -10.662   2.854  10.527
  298    H    ASP  39           H        ASP  39  -6.619   3.538  10.921
  299    HA   ASP  39           HA       ASP  39  -4.228   4.556   9.718
  300   1HB   ASP  39          2HB       ASP  39  -5.171   5.100  12.056
  301   2HB   ASP  39          1HB       ASP  39  -4.473   3.562  12.552
  302    H    GLN  40           H        GLN  40  -5.510   1.554   9.842
  303    HA   GLN  40           HA       GLN  40  -2.948   0.159  10.133
  304   1HB   GLN  40          2HB       GLN  40  -5.815  -0.690  10.324
  305   2HB   GLN  40          1HB       GLN  40  -4.573  -1.876   9.952
  306   1HG   GLN  40          2HG       GLN  40  -3.709  -0.327  12.172
  307   2HG   GLN  40          1HG       GLN  40  -5.346  -0.882  12.469
  308   1HE2  GLN  40          1HE2      GLN  40  -2.414  -2.221  10.997
  309   2HE2  GLN  40          2HE2      GLN  40  -2.463  -3.722  11.854
  310    H    GLN  41           H        GLN  41  -4.265   1.753   7.780
  311    HA   GLN  41           HA       GLN  41  -4.114  -0.372   5.758
  312   1HB   GLN  41          2HB       GLN  41  -6.083   1.327   5.932
  313   2HB   GLN  41          1HB       GLN  41  -4.964   2.449   5.172
  314   1HG   GLN  41          2HG       GLN  41  -5.762   1.665   3.246
  315   2HG   GLN  41          1HG       GLN  41  -4.757   0.256   3.562
  316   1HE2  GLN  41          1HE2      GLN  41  -7.682   1.055   2.543
  317   2HE2  GLN  41          2HE2      GLN  41  -8.618  -0.264   3.148
  318    H    GLU  42           H        GLU  42  -2.475  -0.504   4.378
  319    HA   GLU  42           HA       GLU  42  -0.825   1.789   3.753
  320   1HB   GLU  42          2HB       GLU  42   0.024  -0.324   5.622
  321   2HB   GLU  42          1HB       GLU  42   1.188   0.083   4.369
  322   1HG   GLU  42          2HG       GLU  42   1.417   2.270   5.109
  323   2HG   GLU  42          1HG       GLU  42  -0.095   2.228   6.014
  324    H    LEU  43           H        LEU  43   0.690   1.393   1.979
  325    HA   LEU  43           HA       LEU  43  -0.195  -0.818   0.277
  326   1HB   LEU  43          2HB       LEU  43   1.550   1.567  -0.357
  327   2HB   LEU  43          1HB       LEU  43   1.019   0.354  -1.509
  328    HG   LEU  43           HG       LEU  43  -1.349   1.058  -1.010
  329   1HD1  LEU  43          1HD1      LEU  43  -1.229   2.173   1.046
  330   2HD1  LEU  43          2HD1      LEU  43  -1.471   3.467  -0.129
  331   3HD1  LEU  43          3HD1      LEU  43   0.139   3.154   0.524
  332   1HD2  LEU  43          1HD2      LEU  43  -0.894   3.392  -2.190
  333   2HD2  LEU  43          2HD2      LEU  43  -0.735   1.859  -3.030
  334   3HD2  LEU  43          3HD2      LEU  43   0.698   2.662  -2.400
  335    H    ILE  44           H        ILE  44   1.255  -2.401  -0.437
  336    HA   ILE  44           HA       ILE  44   4.031  -2.191   0.409
  337    HB   ILE  44           HB       ILE  44   3.982  -4.458   1.457
  338   1HG1  ILE  44          2HG1      ILE  44   1.549  -4.896   2.409
  339   2HG1  ILE  44          1HG1      ILE  44   1.071  -4.073   0.933
  340   1HG2  ILE  44          1HG2      ILE  44   3.654  -2.052   2.598
  341   2HG2  ILE  44          2HG2      ILE  44   3.728  -3.552   3.517
  342   3HG2  ILE  44          3HG2      ILE  44   2.167  -2.833   3.135
  343   1HD1  ILE  44          1HD1      ILE  44   3.054  -6.080   0.385
  344   2HD1  ILE  44          2HD1      ILE  44   1.428  -5.901  -0.269
  345   3HD1  ILE  44          3HD1      ILE  44   1.683  -6.771   1.243
  346    H    PHE  45           H        PHE  45   5.424  -3.171  -0.941
  347    HA   PHE  45           HA       PHE  45   4.335  -4.525  -3.266
  348   1HB   PHE  45          2HB       PHE  45   6.623  -2.957  -2.760
  349   2HB   PHE  45          1HB       PHE  45   7.209  -4.568  -3.159
  350    HD1  PHE  45           1HD      PHE  45   4.439  -2.402  -4.384
  351    HD2  PHE  45           2HD      PHE  45   7.861  -4.735  -5.349
  352    HE1  PHE  45           1HE      PHE  45   4.100  -1.914  -6.772
  353    HE2  PHE  45           2HE      PHE  45   7.532  -4.254  -7.736
  354    HZ   PHE  45           HZ       PHE  45   5.646  -2.838  -8.454
  355    H    ALA  46           H        ALA  46   4.255  -5.735  -0.531
  356    HA   ALA  46           HA       ALA  46   4.364  -7.847   0.345
  357   1HB   ALA  46          1HB       ALA  46   4.121  -9.457  -1.176
  358   2HB   ALA  46          2HB       ALA  46   5.799  -9.283  -1.684
  359   3HB   ALA  46          3HB       ALA  46   4.546  -8.295  -2.432
  360    H    GLY  47           H        GLY  47   7.239  -7.288  -1.655
  361   1HA   GLY  47          2HA       GLY  47   8.931  -7.992   0.656
  362   2HA   GLY  47          1HA       GLY  47   9.442  -8.033  -1.030
  363    H    LYS  48           H        LYS  48   7.678  -5.322  -0.984
  364    HA   LYS  48           HA       LYS  48   9.907  -3.649   0.003
  365   1HB   LYS  48          2HB       LYS  48   9.734  -3.734  -2.511
  366   2HB   LYS  48          1HB       LYS  48   8.149  -3.002  -2.366
  367   1HG   LYS  48          2HG       LYS  48   9.686  -1.281  -2.908
  368   2HG   LYS  48          1HG       LYS  48   9.219  -1.061  -1.222
  369   1HD   LYS  48          2HD       LYS  48  11.566  -0.747  -1.316
  370   2HD   LYS  48          1HD       LYS  48  11.312  -2.343  -0.608
  371   1HE   LYS  48          2HE       LYS  48  11.786  -3.402  -2.733
  372   2HE   LYS  48          1HE       LYS  48  11.900  -1.829  -3.524
  373   1HZ   LYS  48          1HZ       LYS  48  13.642  -2.214  -1.245
  374   2HZ   LYS  48          2HZ       LYS  48  13.962  -1.492  -2.741
  375   3HZ   LYS  48          3HZ       LYS  48  13.994  -3.177  -2.588
  376    H    GLN  49           H        GLN  49   9.205  -2.684   1.814
  377    HA   GLN  49           HA       GLN  49   6.394  -2.070   2.164
  378   1HB   GLN  49          2HB       GLN  49   8.781  -1.750   3.985
  379   2HB   GLN  49          1HB       GLN  49   7.139  -1.326   4.436
  380   1HG   GLN  49          2HG       GLN  49   7.272  -4.012   3.398
  381   2HG   GLN  49          1HG       GLN  49   8.382  -3.787   4.749
  382   1HE2  GLN  49          1HE2      GLN  49   7.555  -3.240   6.783
  383   2HE2  GLN  49          2HE2      GLN  49   5.886  -3.462   7.177
  384    H    LEU  50           H        LEU  50   5.490  -0.043   2.119
  385    HA   LEU  50           HA       LEU  50   7.164   2.115   1.127
  386   1HB   LEU  50          2HB       LEU  50   4.382   1.359   0.922
  387   2HB   LEU  50          1HB       LEU  50   4.540   3.042   1.382
  388    HG   LEU  50           HG       LEU  50   4.366   2.663  -1.080
  389   1HD1  LEU  50          1HD1      LEU  50   6.894   3.830  -1.266
  390   2HD1  LEU  50          2HD1      LEU  50   6.296   4.259   0.333
  391   3HD1  LEU  50          3HD1      LEU  50   5.346   4.660  -1.095
  392   1HD2  LEU  50          1HD2      LEU  50   5.896   0.555  -0.815
  393   2HD2  LEU  50          2HD2      LEU  50   7.191   1.727  -1.069
  394   3HD2  LEU  50          3HD2      LEU  50   5.934   1.520  -2.289
  395    H    GLU  51           H        GLU  51   6.624   4.352   1.930
  396    HA   GLU  51           HA       GLU  51   6.660   4.339   4.870
  397   1HB   GLU  51          2HB       GLU  51   8.587   5.352   3.507
  398   2HB   GLU  51          1HB       GLU  51   7.456   6.629   3.076
  399   1HG   GLU  51          2HG       GLU  51   7.126   7.012   5.541
  400   2HG   GLU  51          1HG       GLU  51   8.488   5.925   5.802
  401    H    ASP  52           H        ASP  52   5.058   5.296   5.989
  402    HA   ASP  52           HA       ASP  52   2.671   6.111   4.704
  403   1HB   ASP  52          2HB       ASP  52   3.489   5.402   7.309
  404   2HB   ASP  52          1HB       ASP  52   2.787   7.011   7.431
  405    H    GLY  53           H        GLY  53   5.436   7.838   5.903
  406   1HA   GLY  53          2HA       GLY  53   4.133  10.431   5.832
  407   2HA   GLY  53          1HA       GLY  53   5.834  10.120   6.153
  408    H    ARG  54           H        ARG  54   4.830   8.486   3.380
  409    HA   ARG  54           HA       ARG  54   6.192  10.460   1.717
  410   1HB   ARG  54          2HB       ARG  54   6.450   7.759   1.832
  411   2HB   ARG  54          1HB       ARG  54   5.318   7.918   0.499
  412   1HG   ARG  54          2HG       ARG  54   6.853   8.922  -0.856
  413   2HG   ARG  54          1HG       ARG  54   7.766   9.606   0.486
  414   1HD   ARG  54          2HD       ARG  54   7.714   6.668   0.363
  415   2HD   ARG  54          1HD       ARG  54   8.548   7.473  -0.963
  416    HE   ARG  54           HE       ARG  54   9.224   7.865   1.873
  417   1HH1  ARG  54          1HH1      ARG  54  10.109   7.642  -1.483
  418   2HH1  ARG  54          2HH1      ARG  54  11.797   7.878  -1.199
  419   1HH2  ARG  54          1HH2      ARG  54  11.446   8.211   2.271
  420   2HH2  ARG  54          2HH2      ARG  54  12.563   8.185   0.947
  421    H    THR  55           H        THR  55   5.345  10.974  -0.418
  422    HA   THR  55           HA       THR  55   2.431  11.267  -0.324
  423    HB   THR  55           HB       THR  55   2.834  13.003  -2.127
  424    HG1  THR  55           1HG      THR  55   5.544  12.844  -1.353
  425   1HG2  THR  55          1HG2      THR  55   4.513  14.234  -0.215
  426   2HG2  THR  55          2HG2      THR  55   3.347  13.239   0.656
  427   3HG2  THR  55          3HG2      THR  55   2.785  14.472  -0.473
  428    H    LEU  56           H        LEU  56   1.345  11.309  -2.545
  429    HA   LEU  56           HA       LEU  56   1.543   8.756  -3.672
  430   1HB   LEU  56          2HB       LEU  56  -0.349  10.598  -3.736
  431   2HB   LEU  56          1HB       LEU  56   0.390  10.987  -5.274
  432    HG   LEU  56           HG       LEU  56  -0.515   8.200  -4.574
  433   1HD1  LEU  56          1HD1      LEU  56  -2.077  10.262  -6.096
  434   2HD1  LEU  56          2HD1      LEU  56  -2.428   9.743  -4.455
  435   3HD1  LEU  56          3HD1      LEU  56  -2.554   8.600  -5.781
  436   1HD2  LEU  56          1HD2      LEU  56   0.846   9.412  -6.790
  437   2HD2  LEU  56          2HD2      LEU  56  -0.684   8.722  -7.321
  438   3HD2  LEU  56          3HD2      LEU  56   0.497   7.711  -6.488
  439    H    SER  57           H        SER  57   2.676  11.883  -4.886
  440    HA   SER  57           HA       SER  57   3.673  11.059  -7.338
  441   1HB   SER  57          2HB       SER  57   4.418  13.284  -5.469
  442   2HB   SER  57          1HB       SER  57   5.355  13.006  -6.936
  443    HG   SER  57           HG       SER  57   2.757  13.934  -6.636
  444    H    ASP  58           H        ASP  58   5.000  10.637  -4.156
  445    HA   ASP  58           HA       ASP  58   7.679  10.099  -4.875
  446   1HB   ASP  58          2HB       ASP  58   5.980   9.709  -2.483
  447   2HB   ASP  58          1HB       ASP  58   7.398   8.673  -2.601
  448    H    TYR  59           H        TYR  59   4.793   8.187  -5.050
  449    HA   TYR  59           HA       TYR  59   6.312   6.010  -6.247
  450   1HB   TYR  59          2HB       TYR  59   4.586   5.728  -3.798
  451   2HB   TYR  59          1HB       TYR  59   4.854   4.372  -4.890
  452    HD1  TYR  59           1HD      TYR  59   6.657   6.869  -2.800
  453    HD2  TYR  59           2HD      TYR  59   6.771   3.053  -4.680
  454    HE1  TYR  59           1HE      TYR  59   8.792   6.366  -1.673
  455    HE2  TYR  59           2HE      TYR  59   8.894   2.557  -3.541
  456    HH   TYR  59           HH       TYR  59  10.860   4.127  -2.551
  457    H    ASN  60           H        ASN  60   4.648   7.986  -7.351
  458    HA   ASN  60           HA       ASN  60   2.107   6.738  -7.954
  459   1HB   ASN  60          2HB       ASN  60   2.222   9.173  -7.530
  460   2HB   ASN  60          1HB       ASN  60   3.263   9.360  -8.930
  461   1HD2  ASN  60          1HD2      ASN  60   1.836  10.700  -9.990
  462   2HD2  ASN  60          2HD2      ASN  60   0.354  10.130 -10.672
  463    H    ILE  61           H        ILE  61   2.243   5.175  -9.337
  464    HA   ILE  61           HA       ILE  61   4.180   5.117 -11.476
  465    HB   ILE  61           HB       ILE  61   3.008   2.937 -12.064
  466   1HG1  ILE  61          2HG1      ILE  61   1.714   2.012 -10.037
  467   2HG1  ILE  61          1HG1      ILE  61   1.517   3.690  -9.556
  468   1HG2  ILE  61          1HG2      ILE  61   4.263   3.348  -9.357
  469   2HG2  ILE  61          2HG2      ILE  61   5.060   2.872 -10.856
  470   3HG2  ILE  61          3HG2      ILE  61   3.949   1.761 -10.057
  471   1HD1  ILE  61          1HD1      ILE  61  -0.014   4.106 -11.149
  472   2HD1  ILE  61          2HD1      ILE  61  -0.247   2.359 -11.063
  473   3HD1  ILE  61          3HD1      ILE  61   0.768   3.051 -12.325
  474    H    GLN  62           H        GLN  62   3.255   4.226 -13.636
  475    HA   GLN  62           HA       GLN  62   1.484   6.277 -14.657
  476   1HB   GLN  62          2HB       GLN  62   2.738   4.033 -16.228
  477   2HB   GLN  62          1HB       GLN  62   2.180   5.589 -16.825
  478   1HG   GLN  62          2HG       GLN  62   4.199   6.407 -16.579
  479   2HG   GLN  62          1HG       GLN  62   4.127   6.088 -14.848
  480   1HE2  GLN  62          1HE2      GLN  62   4.885   4.010 -14.096
  481   2HE2  GLN  62          2HE2      GLN  62   6.098   3.171 -14.993
  482    H    LYS  63           H        LYS  63   0.511   4.639 -16.864
  483    HA   LYS  63           HA       LYS  63  -1.870   3.608 -15.588
  484   1HB   LYS  63          2HB       LYS  63  -2.697   3.283 -17.867
  485   2HB   LYS  63          1HB       LYS  63  -2.047   4.904 -17.660
  486   1HG   LYS  63          2HG       LYS  63   0.121   3.476 -18.563
  487   2HG   LYS  63          1HG       LYS  63  -1.227   2.775 -19.460
  488   1HD   LYS  63          2HD       LYS  63  -1.909   5.096 -20.090
  489   2HD   LYS  63          1HD       LYS  63  -0.418   5.673 -19.341
  490   1HE   LYS  63          2HE       LYS  63   0.748   3.965 -20.892
  491   2HE   LYS  63          1HE       LYS  63  -0.766   3.985 -21.792
  492   1HZ   LYS  63          1HZ       LYS  63  -0.270   5.942 -22.678
  493   2HZ   LYS  63          2HZ       LYS  63   1.303   5.731 -22.091
  494   3HZ   LYS  63          3HZ       LYS  63   0.176   6.615 -21.192
  495    H    GLU  64           H        GLU  64  -2.653   1.467 -15.825
  496    HA   GLU  64           HA       GLU  64  -2.506  -0.814 -15.842
  497   1HB   GLU  64          2HB       GLU  64  -1.063   0.017 -18.115
  498   2HB   GLU  64          1HB       GLU  64  -0.057  -1.188 -17.331
  499   1HG   GLU  64          2HG       GLU  64  -1.265  -2.716 -18.367
  500   2HG   GLU  64          1HG       GLU  64  -2.586  -2.297 -17.282
  501    H    SER  65           H        SER  65  -1.956  -0.464 -13.586
  502    HA   SER  65           HA       SER  65   0.482  -1.844 -12.892
  503   1HB   SER  65          2HB       SER  65   0.227   1.069 -12.596
  504   2HB   SER  65          1HB       SER  65   0.676   0.245 -11.103
  505    HG   SER  65           HG       SER  65   2.214  -0.870 -12.785
  506    H    THR  66           H        THR  66  -0.233  -3.325 -11.517
  507    HA   THR  66           HA       THR  66  -2.623  -2.885  -9.945
  508    HB   THR  66           HB       THR  66  -1.731  -5.285  -9.077
  509    HG1  THR  66           1HG      THR  66  -0.032  -5.757 -10.206
  510   1HG2  THR  66          1HG2      THR  66  -3.637  -4.429 -10.980
  511   2HG2  THR  66          2HG2      THR  66  -3.588  -5.939 -10.072
  512   3HG2  THR  66          3HG2      THR  66  -2.797  -5.831 -11.646
  513    H    LEU  67           H        LEU  67  -2.747  -2.552  -7.788
  514    HA   LEU  67           HA       LEU  67  -0.196  -2.132  -6.393
  515   1HB   LEU  67          2HB       LEU  67  -2.314  -0.405  -6.723
  516   2HB   LEU  67          1HB       LEU  67  -2.604  -1.061  -5.121
  517    HG   LEU  67           HG       LEU  67   0.105   0.019  -5.836
  518   1HD1  LEU  67          1HD1      LEU  67  -2.389   1.551  -5.321
  519   2HD1  LEU  67          2HD1      LEU  67  -1.017   1.943  -6.357
  520   3HD1  LEU  67          3HD1      LEU  67  -0.887   2.139  -4.611
  521   1HD2  LEU  67          1HD2      LEU  67   0.204   0.454  -3.444
  522   2HD2  LEU  67          2HD2      LEU  67  -0.124  -1.239  -3.781
  523   3HD2  LEU  67          3HD2      LEU  67  -1.431  -0.182  -3.257
  524    H    HIS  68           H        HIS  68   0.040  -2.915  -4.251
  525    HA   HIS  68           HA       HIS  68  -1.927  -4.980  -3.507
  526   1HB   HIS  68          2HB       HIS  68   0.578  -5.553  -4.287
  527   2HB   HIS  68          1HB       HIS  68   0.885  -5.242  -2.582
  528    HD1  HIS  68           1HD      HIS  68  -1.412  -6.560  -1.192
  529    HD2  HIS  68           2HD      HIS  68   0.437  -8.227  -4.522
  530    HE1  HIS  68           1HE      HIS  68  -1.946  -9.020  -1.101
  531    HE2  HIS  68           2HE      HIS  68  -0.883  -9.988  -3.167
  532    H    LEU  69           H        LEU  69  -2.979  -4.460  -1.691
  533    HA   LEU  69           HA       LEU  69  -1.494  -2.985   0.383
  534   1HB   LEU  69          2HB       LEU  69  -3.826  -2.181  -1.008
  535   2HB   LEU  69          1HB       LEU  69  -4.328  -2.575   0.624
  536    HG   LEU  69           HG       LEU  69  -1.949  -0.974   0.712
  537   1HD1  LEU  69          1HD1      LEU  69  -2.611   1.007  -0.363
  538   2HD1  LEU  69          2HD1      LEU  69  -4.232   0.405  -0.667
  539   3HD1  LEU  69          3HD1      LEU  69  -2.864  -0.275  -1.547
  540   1HD2  LEU  69          1HD2      LEU  69  -4.133  -1.368   2.259
  541   2HD2  LEU  69          2HD2      LEU  69  -4.533   0.182   1.521
  542   3HD2  LEU  69          3HD2      LEU  69  -3.036   0.001   2.433
  543    H    VAL  70           H        VAL  70  -1.226  -4.166   2.136
  544    HA   VAL  70           HA       VAL  70  -3.236  -6.226   2.784
  545    HB   VAL  70           HB       VAL  70  -1.421  -7.407   4.008
  546   1HG1  VAL  70          1HG1      VAL  70  -0.247  -7.288   1.352
  547   2HG1  VAL  70          2HG1      VAL  70  -2.008  -7.391   1.321
  548   3HG1  VAL  70          3HG1      VAL  70  -1.069  -8.612   2.177
  549   1HG2  VAL  70          1HG2      VAL  70   0.377  -5.425   2.645
  550   2HG2  VAL  70          2HG2      VAL  70   0.892  -6.797   3.619
  551   3HG2  VAL  70          3HG2      VAL  70   0.030  -5.450   4.367
  552    H    LEU  71           H        LEU  71  -3.999  -6.443   4.852
  553    HA   LEU  71           HA       LEU  71  -3.243  -4.296   6.724
  554   1HB   LEU  71          2HB       LEU  71  -5.614  -4.411   5.652
  555   2HB   LEU  71          1HB       LEU  71  -5.884  -5.699   6.808
  556    HG   LEU  71           HG       LEU  71  -4.786  -3.247   7.973
  557   1HD1  LEU  71          1HD1      LEU  71  -6.453  -2.585   6.089
  558   2HD1  LEU  71          2HD1      LEU  71  -6.600  -1.856   7.688
  559   3HD1  LEU  71          3HD1      LEU  71  -7.668  -3.175   7.218
  560   1HD2  LEU  71          1HD2      LEU  71  -7.058  -5.122   8.619
  561   2HD2  LEU  71          2HD2      LEU  71  -6.608  -3.732   9.607
  562   3HD2  LEU  71          3HD2      LEU  71  -5.469  -5.058   9.384
  563    H    ARG  72           H        ARG  72  -1.560  -6.051   7.216
  564    HA   ARG  72           HA       ARG  72  -2.323  -8.397   8.585
  565   1HB   ARG  72          2HB       ARG  72   0.203  -6.824   8.329
  566   2HB   ARG  72          1HB       ARG  72   0.102  -8.038   9.594
  567   1HG   ARG  72          2HG       ARG  72  -0.725  -9.553   7.605
  568   2HG   ARG  72          1HG       ARG  72   0.158  -8.368   6.643
  569   1HD   ARG  72          2HD       ARG  72   2.110  -8.768   8.215
  570   2HD   ARG  72          1HD       ARG  72   1.202 -10.150   8.827
  571    HE   ARG  72           HE       ARG  72   2.594  -9.962   6.324
  572   1HH1  ARG  72          1HH1      ARG  72   0.014 -11.584   8.036
  573   2HH1  ARG  72          2HH1      ARG  72   0.049 -12.978   7.009
  574   1HH2  ARG  72          1HH2      ARG  72   2.622 -11.781   4.973
  575   2HH2  ARG  72          2HH2      ARG  72   1.521 -13.086   5.266
  576    H    LEU  73           H        LEU  73  -2.074  -8.835  10.918
  577    HA   LEU  73           HA       LEU  73  -3.184  -6.651  12.470
  578   1HB   LEU  73          2HB       LEU  73  -3.580  -9.357  12.482
  579   2HB   LEU  73          1HB       LEU  73  -2.505  -9.156  13.853
  580    HG   LEU  73           HG       LEU  73  -4.134  -7.368  14.672
  581   1HD1  LEU  73          1HD1      LEU  73  -6.213  -8.732  13.054
  582   2HD1  LEU  73          2HD1      LEU  73  -5.251  -7.472  12.280
  583   3HD1  LEU  73          3HD1      LEU  73  -6.184  -7.105  13.731
  584   1HD2  LEU  73          1HD2      LEU  73  -5.019  -8.919  16.026
  585   2HD2  LEU  73          2HD2      LEU  73  -3.955 -10.033  15.168
  586   3HD2  LEU  73          3HD2      LEU  73  -5.646  -9.883  14.689
  587    H    ARG  74           H        ARG  74  -2.152  -5.481  13.991
  588    HA   ARG  74           HA       ARG  74   0.498  -6.347  14.867
  589   1HB   ARG  74          2HB       ARG  74   0.010  -4.207  13.035
  590   2HB   ARG  74          1HB       ARG  74   0.640  -3.541  14.534
  591   1HG   ARG  74          2HG       ARG  74   2.158  -5.855  13.811
  592   2HG   ARG  74          1HG       ARG  74   2.070  -4.743  12.443
  593   1HD   ARG  74          2HD       ARG  74   3.636  -3.495  13.403
  594   2HD   ARG  74          1HD       ARG  74   2.521  -3.162  14.729
  595    HE   ARG  74           HE       ARG  74   3.443  -5.274  15.744
  596   1HH1  ARG  74          1HH1      ARG  74   5.334  -3.315  13.557
  597   2HH1  ARG  74          2HH1      ARG  74   6.852  -3.848  14.188
  598   1HH2  ARG  74          1HH2      ARG  74   5.449  -5.965  16.586
  599   2HH2  ARG  74          2HH2      ARG  74   6.921  -5.343  15.918
  600    H    GLY  75           H        GLY  75  -2.354  -5.836  15.907
  601   1HA   GLY  75          2HA       GLY  75  -2.083  -3.746  17.843
  602   2HA   GLY  75          1HA       GLY  75  -3.361  -4.950  17.790
  603    H    GLY  76           H        GLY  76  -1.261  -3.747  19.790
  604   1HA   GLY  76          2HA       GLY  76  -0.062  -4.474  21.623
  605   2HA   GLY  76          1HA       GLY  76  -1.386  -5.619  21.756
  606    H    HIS  77           H        HIS  77   0.040  -7.143  22.691
  607    HA   HIS  77           HA       HIS  77   2.326  -8.067  21.216
  608   1HB   HIS  77          2HB       HIS  77   1.355  -8.328  23.872
  609   2HB   HIS  77          1HB       HIS  77   1.504  -9.954  23.212
  610    HD1  HIS  77           1HD      HIS  77   3.363  -8.634  25.460
  611    HD2  HIS  77           2HD      HIS  77   4.297  -9.138  21.437
  612    HE1  HIS  77           1HE      HIS  77   5.879  -8.626  25.348
  613    HE2  HIS  77           2HE      HIS  77   6.424  -8.998  22.911
  614    H    HIS  78           H        HIS  78   2.360 -10.695  21.225
  615    HA   HIS  78           HA       HIS  78   0.121 -11.452  19.478
  616   1HB   HIS  78          2HB       HIS  78   1.708 -13.202  18.596
  617   2HB   HIS  78          1HB       HIS  78   2.191 -11.541  18.268
  618    HD1  HIS  78           1HD      HIS  78   3.022 -11.894  21.643
  619    HD2  HIS  78           2HD      HIS  78   4.693 -13.382  18.144
  620    HE1  HIS  78           1HE      HIS  78   5.369 -12.531  22.245
  621    HE2  HIS  78           2HE      HIS  78   6.352 -13.482  20.130
  622    H    HIS  79           H        HIS  79  -1.338 -12.713  20.405
  623    HA   HIS  79           HA       HIS  79  -0.647 -14.326  22.720
  624   1HB   HIS  79          2HB       HIS  79  -2.844 -12.920  22.262
  625   2HB   HIS  79          1HB       HIS  79  -3.358 -14.405  21.468
  626    HD1  HIS  79           1HD      HIS  79  -4.489 -13.126  24.188
  627    HD2  HIS  79           2HD      HIS  79  -1.936 -16.379  23.836
  628    HE1  HIS  79           1HE      HIS  79  -4.785 -14.444  26.304
  629    HE2  HIS  79           2HE      HIS  79  -3.215 -16.402  26.082
  630    H    HIS  80           H        HIS  80  -0.747 -16.557  22.819
  631    HA   HIS  80           HA       HIS  80  -0.753 -17.921  20.219
  632   1HB   HIS  80          2HB       HIS  80   0.833 -18.244  22.688
  633   2HB   HIS  80          1HB       HIS  80   0.336 -19.746  21.915
  634    HD1  HIS  80           1HD      HIS  80   0.899 -17.044  19.533
  635    HD2  HIS  80           2HD      HIS  80   3.192 -19.977  21.368
  636    HE1  HIS  80           1HE      HIS  80   3.015 -17.173  18.178
  637    HE2  HIS  80           2HE      HIS  80   4.428 -18.913  19.354
  638    H    HIS  81           H        HIS  81  -2.483 -19.079  19.758
  639    HA   HIS  81           HA       HIS  81  -4.182 -20.064  21.958
  640   1HB   HIS  81          2HB       HIS  81  -4.692 -19.128  19.206
  641   2HB   HIS  81          1HB       HIS  81  -5.651 -20.512  19.723
  642    HD1  HIS  81           1HD      HIS  81  -4.769 -17.065  21.093
  643    HD2  HIS  81           2HD      HIS  81  -7.908 -19.776  20.984
  644    HE1  HIS  81           1HE      HIS  81  -6.696 -15.912  22.234
  645    HE2  HIS  81           2HE      HIS  81  -8.560 -17.602  22.216
  646    H    HIS  82           H        HIS  82  -4.203 -22.172  22.418
  647    HA   HIS  82           HA       HIS  82  -2.731 -24.021  20.759
  648   1HB   HIS  82          2HB       HIS  82  -3.775 -23.968  23.509
  649   2HB   HIS  82          1HB       HIS  82  -3.839 -25.552  22.742
  650    HD1  HIS  82           1HD      HIS  82  -1.811 -26.893  23.113
  651    HD2  HIS  82           2HD      HIS  82  -0.988 -22.823  23.178
  652    HE1  HIS  82           1HE      HIS  82   0.646 -26.717  23.604
  653    HE2  HIS  82           2HE      HIS  82   1.136 -24.247  23.591
  Start of MODEL    8
    1   1H    MET   1          1HT       MET   1  -7.626   8.588 -16.344
    2   2H    MET   1          2HT       MET   1  -8.489   8.383 -14.875
    3   3H    MET   1          3HT       MET   1  -9.003   7.568 -16.295
    4    HA   MET   1           HA       MET   1  -6.914   6.366 -16.325
    5   1HB   MET   1          2HB       MET   1  -6.270   8.350 -14.413
    6   2HB   MET   1          1HB       MET   1  -6.243   6.812 -13.563
    7   1HG   MET   1          2HG       MET   1  -4.212   6.472 -14.358
    8   2HG   MET   1          1HG       MET   1  -4.909   6.354 -15.974
    9   1HE   MET   1          1HE       MET   1  -3.055   6.807 -17.045
   10   2HE   MET   1          2HE       MET   1  -1.988   8.207 -16.969
   11   3HE   MET   1          3HE       MET   1  -3.469   8.276 -17.923
   12    H    GLN   2           H        GLN   2  -6.487   4.526 -14.616
   13    HA   GLN   2           HA       GLN   2  -8.530   3.870 -12.786
   14   1HB   GLN   2          2HB       GLN   2  -9.338   3.511 -15.397
   15   2HB   GLN   2          1HB       GLN   2  -8.775   1.908 -14.943
   16   1HG   GLN   2          2HG       GLN   2 -10.626   1.529 -13.799
   17   2HG   GLN   2          1HG       GLN   2 -10.382   2.986 -12.838
   18   1HE2  GLN   2          1HE2      GLN   2 -12.118   1.520 -15.394
   19   2HE2  GLN   2          2HE2      GLN   2 -13.147   2.855 -15.767
   20    H    ILE   3           H        ILE   3  -7.667   2.523 -11.385
   21    HA   ILE   3           HA       ILE   3  -5.521   0.707 -12.292
   22    HB   ILE   3           HB       ILE   3  -4.521   0.910 -10.026
   23   1HG1  ILE   3          2HG1      ILE   3  -6.352   3.287  -9.704
   24   2HG1  ILE   3          1HG1      ILE   3  -6.645   1.729  -8.939
   25   1HG2  ILE   3          1HG2      ILE   3  -4.718   3.216 -11.904
   26   2HG2  ILE   3          2HG2      ILE   3  -3.354   2.150 -11.568
   27   3HG2  ILE   3          3HG2      ILE   3  -3.806   3.396 -10.405
   28   1HD1  ILE   3          1HD1      ILE   3  -5.608   3.339  -7.421
   29   2HD1  ILE   3          2HD1      ILE   3  -4.222   3.460  -8.503
   30   3HD1  ILE   3          3HD1      ILE   3  -4.578   1.935  -7.694
   31    H    PHE   4           H        PHE   4  -5.147  -1.118 -10.745
   32    HA   PHE   4           HA       PHE   4  -7.722  -2.156  -9.737
   33   1HB   PHE   4          2HB       PHE   4  -5.398  -3.562 -11.054
   34   2HB   PHE   4          1HB       PHE   4  -6.585  -4.437 -10.092
   35    HD1  PHE   4           1HD      PHE   4  -5.711  -3.904 -13.289
   36    HD2  PHE   4           2HD      PHE   4  -9.120  -3.440 -10.785
   37    HE1  PHE   4           1HE      PHE   4  -7.175  -4.063 -15.259
   38    HE2  PHE   4           2HE      PHE   4 -10.591  -3.599 -12.751
   39    HZ   PHE   4           HZ       PHE   4  -9.618  -3.912 -14.992
   40    H    VAL   5           H        VAL   5  -7.740  -3.110  -7.692
   41    HA   VAL   5           HA       VAL   5  -5.211  -3.189  -6.219
   42    HB   VAL   5           HB       VAL   5  -7.684  -1.942  -5.048
   43   1HG1  VAL   5          1HG1      VAL   5  -5.320  -1.121  -3.754
   44   2HG1  VAL   5          2HG1      VAL   5  -5.230  -2.873  -3.944
   45   3HG1  VAL   5          3HG1      VAL   5  -6.611  -2.143  -3.125
   46   1HG2  VAL   5          1HG2      VAL   5  -6.820   0.210  -5.429
   47   2HG2  VAL   5          2HG2      VAL   5  -6.659  -0.638  -6.968
   48   3HG2  VAL   5          3HG2      VAL   5  -5.251  -0.422  -5.928
   49    H    LYS   6           H        LYS   6  -5.000  -5.076  -5.226
   50    HA   LYS   6           HA       LYS   6  -7.331  -6.769  -4.859
   51   1HB   LYS   6          2HB       LYS   6  -4.424  -7.197  -5.077
   52   2HB   LYS   6          1HB       LYS   6  -5.236  -8.253  -3.930
   53   1HG   LYS   6          2HG       LYS   6  -6.529  -9.257  -5.571
   54   2HG   LYS   6          1HG       LYS   6  -6.305  -7.922  -6.704
   55   1HD   LYS   6          2HD       LYS   6  -4.750  -9.223  -7.658
   56   2HD   LYS   6          1HD       LYS   6  -3.733  -8.782  -6.283
   57   1HE   LYS   6          2HE       LYS   6  -4.006 -10.801  -5.257
   58   2HE   LYS   6          1HE       LYS   6  -5.610 -11.055  -5.940
   59   1HZ   LYS   6          1HZ       LYS   6  -4.046 -11.117  -8.127
   60   2HZ   LYS   6          2HZ       LYS   6  -4.552 -12.487  -7.273
   61   3HZ   LYS   6          3HZ       LYS   6  -3.027 -11.820  -6.974
   62    H    THR   7           H        THR   7  -8.347  -7.010  -3.035
   63    HA   THR   7           HA       THR   7  -7.274  -5.811  -0.609
   64    HB   THR   7           HB       THR   7  -9.558  -6.260   0.302
   65    HG1  THR   7           1HG      THR   7 -10.971  -6.772  -1.779
   66   1HG2  THR   7          1HG2      THR   7  -9.174  -4.649  -2.168
   67   2HG2  THR   7          2HG2      THR   7  -9.552  -4.131  -0.526
   68   3HG2  THR   7          3HG2      THR   7 -10.804  -4.862  -1.529
   69    H    LEU   8           H        LEU   8  -8.215  -7.231   1.452
   70    HA   LEU   8           HA       LEU   8  -6.546  -9.576   1.424
   71   1HB   LEU   8          2HB       LEU   8  -7.230  -7.885   3.384
   72   2HB   LEU   8          1HB       LEU   8  -8.459  -9.104   3.650
   73    HG   LEU   8           HG       LEU   8  -5.498  -9.709   3.587
   74   1HD1  LEU   8          1HD1      LEU   8  -6.830  -8.256   5.518
   75   2HD1  LEU   8          2HD1      LEU   8  -5.297  -9.103   5.717
   76   3HD1  LEU   8          3HD1      LEU   8  -6.809  -9.893   6.163
   77   1HD2  LEU   8          1HD2      LEU   8  -7.709 -11.343   4.799
   78   2HD2  LEU   8          2HD2      LEU   8  -6.050 -11.825   4.449
   79   3HD2  LEU   8          3HD2      LEU   8  -7.185 -11.556   3.132
   80    H    THR   9           H        THR   9  -9.910  -8.907   0.937
   81    HA   THR   9           HA       THR   9 -10.702 -11.642   1.439
   82    HB   THR   9           HB       THR   9 -12.540  -9.779   0.041
   83    HG1  THR   9           1HG      THR   9 -12.672  -8.381   1.629
   84   1HG2  THR   9          1HG2      THR   9 -14.050 -11.168   0.849
   85   2HG2  THR   9          2HG2      THR   9 -13.538 -10.794   2.495
   86   3HG2  THR   9          3HG2      THR   9 -12.769 -12.111   1.609
   87    H    GLY  10           H        GLY  10  -9.298  -9.989  -1.147
   88   1HA   GLY  10          2HA       GLY  10  -8.639 -11.169  -3.112
   89   2HA   GLY  10          1HA       GLY  10 -10.075 -12.170  -2.948
   90    H    ALA  11           H        ALA  11 -11.321  -9.368  -2.275
   91    HA   ALA  11           HA       ALA  11 -12.417  -8.973  -4.904
   92   1HB   ALA  11          1HB       ALA  11 -13.897  -7.385  -3.867
   93   2HB   ALA  11          2HB       ALA  11 -12.904  -7.356  -2.410
   94   3HB   ALA  11          3HB       ALA  11 -13.783  -8.821  -2.849
   95    H    THR  12           H        THR  12 -11.321  -7.863  -6.409
   96    HA   THR  12           HA       THR  12  -9.397  -5.863  -5.712
   97    HB   THR  12           HB       THR  12 -10.469  -6.616  -8.438
   98    HG1  THR  12           1HG      THR  12  -9.479  -8.367  -7.295
   99   1HG2  THR  12          1HG2      THR  12  -9.246  -4.895  -9.129
  100   2HG2  THR  12          2HG2      THR  12  -7.850  -5.901  -8.740
  101   3HG2  THR  12          3HG2      THR  12  -8.444  -4.727  -7.568
  102    H    ILE  13           H        ILE  13  -9.595  -3.655  -5.868
  103    HA   ILE  13           HA       ILE  13 -12.272  -2.643  -6.588
  104    HB   ILE  13           HB       ILE  13 -11.768  -0.724  -5.035
  105   1HG1  ILE  13          2HG1      ILE  13  -9.987  -2.135  -3.298
  106   2HG1  ILE  13          1HG1      ILE  13  -9.257  -2.041  -4.894
  107   1HG2  ILE  13          1HG2      ILE  13 -11.812  -2.757  -3.064
  108   2HG2  ILE  13          2HG2      ILE  13 -12.686  -3.354  -4.474
  109   3HG2  ILE  13          3HG2      ILE  13 -13.163  -1.833  -3.721
  110   1HD1  ILE  13          1HD1      ILE  13  -8.491  -0.093  -4.044
  111   2HD1  ILE  13          2HD1      ILE  13  -9.865   0.100  -2.956
  112   3HD1  ILE  13          3HD1      ILE  13 -10.034   0.488  -4.669
  113    H    THR  14           H        THR  14 -12.460  -0.860  -7.806
  114    HA   THR  14           HA       THR  14 -10.093  -0.024  -9.309
  115    HB   THR  14           HB       THR  14 -12.228   1.314 -10.424
  116    HG1  THR  14           1HG      THR  14 -13.630   0.121  -9.008
  117   1HG2  THR  14          1HG2      THR  14 -10.568  -0.901 -11.126
  118   2HG2  THR  14          2HG2      THR  14 -11.384   0.262 -12.172
  119   3HG2  THR  14          3HG2      THR  14 -12.222  -1.203 -11.659
  120    H    LEU  15           H        LEU  15  -9.087   1.884  -8.934
  121    HA   LEU  15           HA       LEU  15 -10.602   4.035  -7.637
  122   1HB   LEU  15          2HB       LEU  15  -9.390   2.715  -5.919
  123   2HB   LEU  15          1HB       LEU  15  -7.884   3.099  -6.725
  124    HG   LEU  15           HG       LEU  15  -8.543   5.569  -6.310
  125   1HD1  LEU  15          1HD1      LEU  15 -10.795   5.358  -5.628
  126   2HD1  LEU  15          2HD1      LEU  15  -9.877   5.784  -4.184
  127   3HD1  LEU  15          3HD1      LEU  15 -10.392   4.118  -4.441
  128   1HD2  LEU  15          1HD2      LEU  15  -7.749   5.282  -3.857
  129   2HD2  LEU  15          2HD2      LEU  15  -6.670   4.852  -5.185
  130   3HD2  LEU  15          3HD2      LEU  15  -7.544   3.591  -4.317
  131    H    GLU  16           H        GLU  16  -9.477   6.102  -7.647
  132    HA   GLU  16           HA       GLU  16  -7.745   6.434 -10.006
  133   1HB   GLU  16          2HB       GLU  16 -10.267   7.565  -9.518
  134   2HB   GLU  16          1HB       GLU  16  -9.115   8.863  -9.229
  135   1HG   GLU  16          2HG       GLU  16  -8.236   7.681 -11.575
  136   2HG   GLU  16          1HG       GLU  16  -9.993   7.685 -11.715
  137    H    VAL  17           H        VAL  17  -5.856   7.622  -9.738
  138    HA   VAL  17           HA       VAL  17  -5.167   8.222  -6.983
  139    HB   VAL  17           HB       VAL  17  -2.876   8.631  -7.881
  140   1HG1  VAL  17          1HG1      VAL  17  -3.683   6.417  -7.043
  141   2HG1  VAL  17          2HG1      VAL  17  -2.354   6.325  -8.198
  142   3HG1  VAL  17          3HG1      VAL  17  -4.000   5.964  -8.717
  143   1HG2  VAL  17          1HG2      VAL  17  -4.293   8.628 -10.369
  144   2HG2  VAL  17          2HG2      VAL  17  -3.071   7.357 -10.384
  145   3HG2  VAL  17          3HG2      VAL  17  -2.605   9.024 -10.048
  146    H    GLU  18           H        GLU  18  -3.777  10.160  -6.572
  147    HA   GLU  18           HA       GLU  18  -4.373  12.522  -8.141
  148   1HB   GLU  18          2HB       GLU  18  -5.651  11.930  -5.557
  149   2HB   GLU  18          1HB       GLU  18  -4.945  13.536  -5.686
  150   1HG   GLU  18          2HG       GLU  18  -6.877  12.389  -7.684
  151   2HG   GLU  18          1HG       GLU  18  -7.351  13.394  -6.314
  152    H    SER  19           H        SER  19  -2.998  14.284  -7.695
  153    HA   SER  19           HA       SER  19  -0.385  13.560  -6.850
  154   1HB   SER  19          2HB       SER  19  -1.728  16.105  -7.675
  155   2HB   SER  19          1HB       SER  19  -0.178  16.211  -6.841
  156    HG   SER  19           HG       SER  19   0.454  14.535  -8.514
  157    H    SER  20           H        SER  20  -3.082  15.214  -5.365
  158    HA   SER  20           HA       SER  20  -1.643  15.855  -2.940
  159   1HB   SER  20          2HB       SER  20  -4.324  16.400  -4.051
  160   2HB   SER  20          1HB       SER  20  -4.250  16.269  -2.295
  161    HG   SER  20           HG       SER  20  -2.480  17.893  -3.795
  162    H    ASP  21           H        ASP  21  -2.501  12.974  -3.999
  163    HA   ASP  21           HA       ASP  21  -3.969  11.949  -1.742
  164   1HB   ASP  21          2HB       ASP  21  -3.842  11.139  -4.276
  165   2HB   ASP  21          1HB       ASP  21  -2.542  10.150  -3.629
  166    H    THR  22           H        THR  22  -3.000  11.671   0.161
  167    HA   THR  22           HA       THR  22  -0.283  10.532   0.193
  168    HB   THR  22           HB       THR  22   0.135  11.788   2.278
  169    HG1  THR  22           1HG      THR  22  -1.411  12.820   3.228
  170   1HG2  THR  22          1HG2      THR  22  -0.244  14.187   1.148
  171   2HG2  THR  22          2HG2      THR  22  -0.358  13.153  -0.276
  172   3HG2  THR  22          3HG2      THR  22   1.086  13.106   0.735
  173    H    ILE  23           H        ILE  23   0.190   9.191   2.058
  174    HA   ILE  23           HA       ILE  23  -1.798   7.321   2.608
  175    HB   ILE  23           HB       ILE  23   0.668   7.913   4.253
  176   1HG1  ILE  23          2HG1      ILE  23   1.144   5.616   2.831
  177   2HG1  ILE  23          1HG1      ILE  23   0.197   6.553   1.683
  178   1HG2  ILE  23          1HG2      ILE  23  -1.502   6.114   4.704
  179   2HG2  ILE  23          2HG2      ILE  23  -0.046   6.355   5.668
  180   3HG2  ILE  23          3HG2      ILE  23  -0.047   5.184   4.351
  181   1HD1  ILE  23          1HD1      ILE  23   1.789   8.256   1.594
  182   2HD1  ILE  23          2HD1      ILE  23   2.725   6.763   1.585
  183   3HD1  ILE  23          3HD1      ILE  23   2.587   7.707   3.060
  184    H    ASP  24           H        ASP  24  -1.176  10.396   4.055
  185    HA   ASP  24           HA       ASP  24  -2.675   9.857   6.477
  186   1HB   ASP  24          2HB       ASP  24  -0.941  11.965   5.495
  187   2HB   ASP  24          1HB       ASP  24  -2.425  12.637   6.165
  188    H    ASN  25           H        ASN  25  -3.090  11.808   3.534
  189    HA   ASN  25           HA       ASN  25  -5.619  12.841   4.062
  190   1HB   ASN  25          2HB       ASN  25  -3.846  12.967   1.955
  191   2HB   ASN  25          1HB       ASN  25  -5.212  12.110   1.249
  192   1HD2  ASN  25          1HD2      ASN  25  -7.326  13.257   2.526
  193   2HD2  ASN  25          2HD2      ASN  25  -7.429  14.929   2.107
  194    H    VAL  26           H        VAL  26  -4.690   9.759   2.584
  195    HA   VAL  26           HA       VAL  26  -7.245   8.888   1.835
  196    HB   VAL  26           HB       VAL  26  -4.993   7.119   2.812
  197   1HG1  VAL  26          1HG1      VAL  26  -6.111   5.594   1.042
  198   2HG1  VAL  26          2HG1      VAL  26  -7.507   6.648   1.256
  199   3HG1  VAL  26          3HG1      VAL  26  -6.860   5.751   2.630
  200   1HG2  VAL  26          1HG2      VAL  26  -4.003   7.194   0.734
  201   2HG2  VAL  26          2HG2      VAL  26  -4.560   8.858   0.900
  202   3HG2  VAL  26          3HG2      VAL  26  -5.482   7.715  -0.071
  203    H    LYS  27           H        LYS  27  -5.505   8.671   4.889
  204    HA   LYS  27           HA       LYS  27  -7.324   7.002   6.245
  205   1HB   LYS  27          2HB       LYS  27  -4.890   7.826   6.853
  206   2HB   LYS  27          1HB       LYS  27  -5.769   9.068   7.732
  207   1HG   LYS  27          2HG       LYS  27  -7.031   6.713   8.462
  208   2HG   LYS  27          1HG       LYS  27  -5.319   6.288   8.399
  209   1HD   LYS  27          2HD       LYS  27  -4.782   8.126   9.894
  210   2HD   LYS  27          1HD       LYS  27  -6.472   8.634   9.907
  211   1HE   LYS  27          2HE       LYS  27  -6.887   6.182  10.725
  212   2HE   LYS  27          1HE       LYS  27  -5.188   6.265  11.190
  213   1HZ   LYS  27          1HZ       LYS  27  -7.431   7.932  12.160
  214   2HZ   LYS  27          2HZ       LYS  27  -5.819   8.393  12.375
  215   3HZ   LYS  27          3HZ       LYS  27  -6.383   6.955  13.061
  216    H    SER  28           H        SER  28  -7.013  10.539   6.167
  217    HA   SER  28           HA       SER  28  -9.022  11.168   7.978
  218   1HB   SER  28          2HB       SER  28  -7.453  12.561   5.990
  219   2HB   SER  28          1HB       SER  28  -9.108  13.171   6.008
  220    HG   SER  28           HG       SER  28  -7.165  13.208   8.022
  221    H    LYS  29           H        LYS  29  -9.261  10.753   4.457
  222    HA   LYS  29           HA       LYS  29 -12.013  11.345   4.316
  223   1HB   LYS  29          2HB       LYS  29 -10.226   9.815   2.426
  224   2HB   LYS  29          1HB       LYS  29 -11.890  10.243   2.059
  225   1HG   LYS  29          2HG       LYS  29 -10.262  12.503   2.940
  226   2HG   LYS  29          1HG       LYS  29  -9.695  11.744   1.450
  227   1HD   LYS  29          2HD       LYS  29 -12.071  11.911   0.607
  228   2HD   LYS  29          1HD       LYS  29 -12.410  12.922   2.013
  229   1HE   LYS  29          2HE       LYS  29 -11.526  14.704   1.019
  230   2HE   LYS  29          1HE       LYS  29 -10.032  13.835   0.680
  231   1HZ   LYS  29          1HZ       LYS  29 -11.876  12.864  -1.120
  232   2HZ   LYS  29          2HZ       LYS  29 -10.601  13.925  -1.447
  233   3HZ   LYS  29          3HZ       LYS  29 -12.137  14.536  -1.091
  234    H    ILE  30           H        ILE  30 -10.624   8.708   5.781
  235    HA   ILE  30           HA       ILE  30 -12.866   6.958   5.083
  236    HB   ILE  30           HB       ILE  30 -10.569   6.254   6.913
  237   1HG1  ILE  30          2HG1      ILE  30 -10.704   5.447   4.022
  238   2HG1  ILE  30          1HG1      ILE  30  -9.995   6.989   4.470
  239   1HG2  ILE  30          1HG2      ILE  30 -11.625   4.076   5.415
  240   2HG2  ILE  30          2HG2      ILE  30 -12.971   4.956   6.136
  241   3HG2  ILE  30          3HG2      ILE  30 -11.676   4.338   7.155
  242   1HD1  ILE  30          1HD1      ILE  30  -8.476   5.686   6.011
  243   2HD1  ILE  30          2HD1      ILE  30  -8.210   5.480   4.283
  244   3HD1  ILE  30          3HD1      ILE  30  -9.062   4.237   5.200
  245    H    GLN  31           H        GLN  31 -12.875   9.499   6.723
  246    HA   GLN  31           HA       GLN  31 -13.610   8.506   9.364
  247   1HB   GLN  31          2HB       GLN  31 -12.304  10.701   8.791
  248   2HB   GLN  31          1HB       GLN  31 -13.909  11.363   8.518
  249   1HG   GLN  31          2HG       GLN  31 -13.151  11.848  10.762
  250   2HG   GLN  31          1HG       GLN  31 -14.546  10.771  10.798
  251   1HE2  GLN  31          1HE2      GLN  31 -11.014  10.793  10.929
  252   2HE2  GLN  31          2HE2      GLN  31 -10.867   9.419  11.964
  253    H    ALA  32           H        ALA  32 -15.174   8.988   6.412
  254    HA   ALA  32           HA       ALA  32 -17.647  10.032   7.255
  255   1HB   ALA  32          1HB       ALA  32 -17.503   8.107   4.987
  256   2HB   ALA  32          2HB       ALA  32 -16.629   9.635   4.865
  257   3HB   ALA  32          3HB       ALA  32 -18.374   9.635   5.118
  258    H    ALA  33           H        ALA  33 -16.875   6.658   6.377
  259    HA   ALA  33           HA       ALA  33 -19.133   5.756   8.019
  260   1HB   ALA  33          1HB       ALA  33 -17.462   4.203   6.047
  261   2HB   ALA  33          2HB       ALA  33 -19.008   4.973   5.692
  262   3HB   ALA  33          3HB       ALA  33 -18.930   3.644   6.848
  263    HA   PRO  34           HA       PRO  34 -15.880   4.748  11.034
  264   1HB   PRO  34          2HB       PRO  34 -18.135   4.224  12.826
  265   2HB   PRO  34          1HB       PRO  34 -16.847   5.422  12.974
  266   1HG   PRO  34          2HG       PRO  34 -19.403   6.110  12.439
  267   2HG   PRO  34          1HG       PRO  34 -18.018   7.022  11.807
  268   1HD   PRO  34          2HD       PRO  34 -19.737   4.989  10.430
  269   2HD   PRO  34          1HD       PRO  34 -19.110   6.535   9.817
  270    H    GLY  35           H        GLY  35 -15.552   2.839  12.511
  271   1HA   GLY  35          2HA       GLY  35 -16.604   0.554  12.967
  272   2HA   GLY  35          1HA       GLY  35 -16.646   0.422  11.215
  273    H    ILE  36           H        ILE  36 -14.912  -0.263  10.159
  274    HA   ILE  36           HA       ILE  36 -12.795  -1.569  11.512
  275    HB   ILE  36           HB       ILE  36 -12.907  -0.776   8.596
  276   1HG1  ILE  36          2HG1      ILE  36 -14.986  -1.900   9.219
  277   2HG1  ILE  36          1HG1      ILE  36 -14.004  -2.937   8.191
  278   1HG2  ILE  36          1HG2      ILE  36 -10.817  -1.871   9.829
  279   2HG2  ILE  36          2HG2      ILE  36 -11.252  -2.252   8.168
  280   3HG2  ILE  36          3HG2      ILE  36 -11.725  -3.338   9.473
  281   1HD1  ILE  36          1HD1      ILE  36 -13.528  -3.328  11.040
  282   2HD1  ILE  36          2HD1      ILE  36 -13.822  -4.505   9.761
  283   3HD1  ILE  36          3HD1      ILE  36 -15.179  -3.682  10.530
  284    HA   PRO  37           HA       PRO  37 -10.023   1.900  11.985
  285   1HB   PRO  37          2HB       PRO  37  -7.665   0.605  12.284
  286   2HB   PRO  37          1HB       PRO  37  -8.891   0.656  13.557
  287   1HG   PRO  37          2HG       PRO  37  -8.340  -1.501  11.553
  288   2HG   PRO  37          1HG       PRO  37  -8.618  -1.650  13.299
  289   1HD   PRO  37          2HD       PRO  37 -10.570  -2.138  11.511
  290   2HD   PRO  37          1HD       PRO  37 -10.914  -1.387  13.080
  291    HA   PRO  38           HA       PRO  38  -9.067   2.281   7.566
  292   1HB   PRO  38          2HB       PRO  38  -8.074   4.886   8.604
  293   2HB   PRO  38          1HB       PRO  38  -9.148   4.546   7.248
  294   1HG   PRO  38          2HG       PRO  38 -10.107   5.520   9.531
  295   2HG   PRO  38          1HG       PRO  38 -11.009   4.316   8.597
  296   1HD   PRO  38          2HD       PRO  38  -9.439   3.977  11.100
  297   2HD   PRO  38          1HD       PRO  38 -10.935   3.175  10.583
  298    H    ASP  39           H        ASP  39  -6.985   2.518  10.300
  299    HA   ASP  39           HA       ASP  39  -4.538   2.884   8.858
  300   1HB   ASP  39          2HB       ASP  39  -4.856   3.620  11.220
  301   2HB   ASP  39          1HB       ASP  39  -4.958   1.930  11.700
  302    H    GLN  40           H        GLN  40  -6.639   0.324   9.196
  303    HA   GLN  40           HA       GLN  40  -4.662  -1.766   9.350
  304   1HB   GLN  40          2HB       GLN  40  -7.374  -1.633   9.890
  305   2HB   GLN  40          1HB       GLN  40  -7.303  -2.571   8.405
  306   1HG   GLN  40          2HG       GLN  40  -6.594  -4.368   9.485
  307   2HG   GLN  40          1HG       GLN  40  -5.301  -3.462  10.272
  308   1HE2  GLN  40          1HE2      GLN  40  -8.713  -4.299  10.472
  309   2HE2  GLN  40          2HE2      GLN  40  -8.845  -4.124  12.185
  310    H    GLN  41           H        GLN  41  -5.181   0.343   6.993
  311    HA   GLN  41           HA       GLN  41  -4.844  -1.701   4.893
  312   1HB   GLN  41          2HB       GLN  41  -6.274   0.945   4.799
  313   2HB   GLN  41          1HB       GLN  41  -5.716   0.147   3.334
  314   1HG   GLN  41          2HG       GLN  41  -7.097  -1.781   3.828
  315   2HG   GLN  41          1HG       GLN  41  -7.616  -1.043   5.343
  316   1HE2  GLN  41          1HE2      GLN  41  -8.505   1.264   4.991
  317   2HE2  GLN  41          2HE2      GLN  41  -9.649   1.423   3.707
  318    H    GLU  42           H        GLU  42  -3.034  -1.639   3.768
  319    HA   GLU  42           HA       GLU  42  -1.542   0.810   3.390
  320   1HB   GLU  42          2HB       GLU  42  -0.623  -1.375   5.192
  321   2HB   GLU  42          1HB       GLU  42   0.575  -0.574   4.188
  322   1HG   GLU  42          2HG       GLU  42  -1.303   1.029   5.868
  323   2HG   GLU  42          1HG       GLU  42   0.129   0.291   6.580
  324    H    LEU  43           H        LEU  43   0.187   0.600   1.790
  325    HA   LEU  43           HA       LEU  43  -0.329  -1.630  -0.043
  326   1HB   LEU  43          2HB       LEU  43  -0.120   1.041  -0.544
  327   2HB   LEU  43          1HB       LEU  43   1.526   0.520  -0.855
  328    HG   LEU  43           HG       LEU  43  -0.483  -1.183  -2.133
  329   1HD1  LEU  43          1HD1      LEU  43  -0.865   0.550  -3.949
  330   2HD1  LEU  43          2HD1      LEU  43  -0.357   1.751  -2.761
  331   3HD1  LEU  43          3HD1      LEU  43  -1.778   0.750  -2.453
  332   1HD2  LEU  43          1HD2      LEU  43   1.510  -1.624  -3.067
  333   2HD2  LEU  43          2HD2      LEU  43   2.172  -0.042  -2.652
  334   3HD2  LEU  43          3HD2      LEU  43   1.148  -0.225  -4.077
  335    H    ILE  44           H        ILE  44   1.266  -3.069  -0.610
  336    HA   ILE  44           HA       ILE  44   3.962  -2.656   0.438
  337    HB   ILE  44           HB       ILE  44   2.476  -5.214   1.038
  338   1HG1  ILE  44          2HG1      ILE  44   3.248  -3.169   3.104
  339   2HG1  ILE  44          1HG1      ILE  44   1.695  -3.076   2.282
  340   1HG2  ILE  44          1HG2      ILE  44   5.180  -4.154   1.830
  341   2HG2  ILE  44          2HG2      ILE  44   4.813  -5.603   0.898
  342   3HG2  ILE  44          3HG2      ILE  44   4.410  -5.536   2.609
  343   1HD1  ILE  44          1HD1      ILE  44   2.145  -5.734   3.254
  344   2HD1  ILE  44          2HD1      ILE  44   0.835  -4.609   3.616
  345   3HD1  ILE  44          3HD1      ILE  44   2.328  -4.555   4.553
  346    H    PHE  45           H        PHE  45   5.502  -3.361  -0.928
  347    HA   PHE  45           HA       PHE  45   4.693  -4.726  -3.359
  348   1HB   PHE  45          2HB       PHE  45   6.388  -2.764  -3.125
  349   2HB   PHE  45          1HB       PHE  45   7.522  -4.025  -2.663
  350    HD1  PHE  45           1HD      PHE  45   5.253  -2.936  -5.377
  351    HD2  PHE  45           2HD      PHE  45   8.599  -5.324  -4.276
  352    HE1  PHE  45           1HE      PHE  45   5.700  -3.400  -7.752
  353    HE2  PHE  45           2HE      PHE  45   9.052  -5.792  -6.649
  354    HZ   PHE  45           HZ       PHE  45   7.601  -4.829  -8.390
  355    H    ALA  46           H        ALA  46   4.770  -6.103  -0.662
  356    HA   ALA  46           HA       ALA  46   5.191  -8.198   0.113
  357   1HB   ALA  46          1HB       ALA  46   6.577  -9.300  -2.185
  358   2HB   ALA  46          2HB       ALA  46   5.073  -8.498  -2.634
  359   3HB   ALA  46          3HB       ALA  46   5.058  -9.791  -1.436
  360    H    GLY  47           H        GLY  47   7.820  -6.709  -1.706
  361   1HA   GLY  47          2HA       GLY  47   9.694  -7.568   0.402
  362   2HA   GLY  47          1HA       GLY  47  10.141  -7.627  -1.305
  363    H    LYS  48           H        LYS  48   8.259  -5.033  -1.317
  364    HA   LYS  48           HA       LYS  48  10.363  -3.184  -0.382
  365   1HB   LYS  48          2HB       LYS  48   9.632  -3.534  -3.020
  366   2HB   LYS  48          1HB       LYS  48   8.622  -2.182  -2.530
  367   1HG   LYS  48          2HG       LYS  48  10.332  -0.811  -2.799
  368   2HG   LYS  48          1HG       LYS  48  11.224  -1.678  -1.549
  369   1HD   LYS  48          2HD       LYS  48  12.634  -2.483  -3.071
  370   2HD   LYS  48          1HD       LYS  48  11.297  -3.197  -3.972
  371   1HE   LYS  48          2HE       LYS  48  11.010  -1.247  -5.278
  372   2HE   LYS  48          1HE       LYS  48  12.037  -0.292  -4.211
  373   1HZ   LYS  48          1HZ       LYS  48  13.068  -1.019  -6.362
  374   2HZ   LYS  48          2HZ       LYS  48  13.050  -2.602  -5.766
  375   3HZ   LYS  48          3HZ       LYS  48  13.951  -1.411  -4.971
  376    H    GLN  49           H        GLN  49   9.565  -2.248   1.397
  377    HA   GLN  49           HA       GLN  49   6.692  -1.878   1.681
  378   1HB   GLN  49          2HB       GLN  49   9.002  -2.046   3.492
  379   2HB   GLN  49          1HB       GLN  49   7.785  -0.871   3.973
  380   1HG   GLN  49          2HG       GLN  49   6.789  -2.598   4.964
  381   2HG   GLN  49          1HG       GLN  49   6.247  -3.026   3.341
  382   1HE2  GLN  49          1HE2      GLN  49   8.922  -3.510   5.607
  383   2HE2  GLN  49          2HE2      GLN  49   9.279  -5.126   5.113
  384    H    LEU  50           H        LEU  50   5.641   0.044   1.673
  385    HA   LEU  50           HA       LEU  50   7.121   2.335   0.715
  386   1HB   LEU  50          2HB       LEU  50   4.313   1.490   0.783
  387   2HB   LEU  50          1HB       LEU  50   4.554   3.212   1.025
  388    HG   LEU  50           HG       LEU  50   4.168   2.478  -1.359
  389   1HD1  LEU  50          1HD1      LEU  50   6.463   4.120  -0.409
  390   2HD1  LEU  50          2HD1      LEU  50   4.995   4.613  -1.254
  391   3HD1  LEU  50          3HD1      LEU  50   6.296   3.814  -2.138
  392   1HD2  LEU  50          1HD2      LEU  50   6.142   0.626  -0.723
  393   2HD2  LEU  50          2HD2      LEU  50   6.938   1.777  -1.797
  394   3HD2  LEU  50          3HD2      LEU  50   5.469   0.950  -2.320
  395    H    GLU  51           H        GLU  51   6.653   4.476   1.570
  396    HA   GLU  51           HA       GLU  51   6.799   4.443   4.515
  397   1HB   GLU  51          2HB       GLU  51   8.324   5.771   2.551
  398   2HB   GLU  51          1HB       GLU  51   7.378   7.010   3.357
  399   1HG   GLU  51          2HG       GLU  51   8.778   5.035   5.057
  400   2HG   GLU  51          1HG       GLU  51   9.747   6.259   4.237
  401    H    ASP  52           H        ASP  52   5.030   5.015   5.598
  402    HA   ASP  52           HA       ASP  52   2.700   6.019   4.416
  403   1HB   ASP  52          2HB       ASP  52   3.540   6.089   7.322
  404   2HB   ASP  52          1HB       ASP  52   1.906   6.373   6.731
  405    H    GLY  53           H        GLY  53   5.495   7.667   5.675
  406   1HA   GLY  53          2HA       GLY  53   4.172  10.238   5.836
  407   2HA   GLY  53          1HA       GLY  53   5.887   9.933   6.059
  408    H    ARG  54           H        ARG  54   4.999   8.445   3.211
  409    HA   ARG  54           HA       ARG  54   6.151  10.632   1.675
  410   1HB   ARG  54          2HB       ARG  54   5.556   7.767   0.935
  411   2HB   ARG  54          1HB       ARG  54   6.252   8.946  -0.168
  412   1HG   ARG  54          2HG       ARG  54   7.582   8.512   2.449
  413   2HG   ARG  54          1HG       ARG  54   7.758   7.277   1.200
  414   1HD   ARG  54          2HD       ARG  54   8.188   9.679  -0.126
  415   2HD   ARG  54          1HD       ARG  54   8.993   9.889   1.429
  416    HE   ARG  54           HE       ARG  54   9.609   7.384   0.182
  417   1HH1  ARG  54          1HH1      ARG  54  10.433  10.774   0.304
  418   2HH1  ARG  54          2HH1      ARG  54  12.046  10.531  -0.280
  419   1HH2  ARG  54          1HH2      ARG  54  11.728   7.064  -0.588
  420   2HH2  ARG  54          2HH2      ARG  54  12.780   8.424  -0.787
  421    H    THR  55           H        THR  55   5.267  11.106  -0.513
  422    HA   THR  55           HA       THR  55   2.330  11.202  -0.386
  423    HB   THR  55           HB       THR  55   4.198  13.064  -1.858
  424    HG1  THR  55           1HG      THR  55   4.534  13.518   0.231
  425   1HG2  THR  55          1HG2      THR  55   2.121  13.285  -2.893
  426   2HG2  THR  55          2HG2      THR  55   2.174  14.590  -1.710
  427   3HG2  THR  55          3HG2      THR  55   1.247  13.129  -1.373
  428    H    LEU  56           H        LEU  56   1.264  11.436  -2.636
  429    HA   LEU  56           HA       LEU  56   1.668   9.129  -4.103
  430   1HB   LEU  56          2HB       LEU  56  -0.307  10.770  -4.141
  431   2HB   LEU  56          1HB       LEU  56   0.608  11.640  -5.358
  432    HG   LEU  56           HG       LEU  56   0.589   8.940  -6.173
  433   1HD1  LEU  56          1HD1      LEU  56  -2.224   9.462  -6.212
  434   2HD1  LEU  56          2HD1      LEU  56  -1.643   9.401  -4.553
  435   3HD1  LEU  56          3HD1      LEU  56  -1.359   8.042  -5.633
  436   1HD2  LEU  56          1HD2      LEU  56  -0.096   9.824  -8.139
  437   2HD2  LEU  56          2HD2      LEU  56   0.407  11.319  -7.355
  438   3HD2  LEU  56          3HD2      LEU  56  -1.296  10.867  -7.392
  439    H    SER  57           H        SER  57   2.818  12.401  -4.852
  440    HA   SER  57           HA       SER  57   4.030  11.883  -7.285
  441   1HB   SER  57          2HB       SER  57   3.827  14.147  -6.633
  442   2HB   SER  57          1HB       SER  57   4.685  13.871  -5.118
  443    HG   SER  57           HG       SER  57   6.004  13.368  -7.541
  444    H    ASP  58           H        ASP  58   5.148  11.139  -4.067
  445    HA   ASP  58           HA       ASP  58   7.875  10.714  -4.679
  446   1HB   ASP  58          2HB       ASP  58   6.142   9.541  -2.494
  447   2HB   ASP  58          1HB       ASP  58   7.893   9.376  -2.572
  448    H    TYR  59           H        TYR  59   5.020   8.776  -5.140
  449    HA   TYR  59           HA       TYR  59   6.651   6.759  -6.497
  450   1HB   TYR  59          2HB       TYR  59   4.985   6.306  -4.081
  451   2HB   TYR  59          1HB       TYR  59   4.840   5.108  -5.363
  452    HD1  TYR  59           1HD      TYR  59   7.337   6.837  -3.215
  453    HD2  TYR  59           2HD      TYR  59   6.448   3.421  -5.590
  454    HE1  TYR  59           1HE      TYR  59   9.414   5.768  -2.444
  455    HE2  TYR  59           2HE      TYR  59   8.520   2.341  -4.824
  456    HH   TYR  59           HH       TYR  59  10.182   2.438  -3.242
  457    H    ASN  60           H        ASN  60   5.008   8.852  -7.494
  458    HA   ASN  60           HA       ASN  60   2.492   7.759  -8.348
  459   1HB   ASN  60          2HB       ASN  60   2.909  10.217  -7.945
  460   2HB   ASN  60          1HB       ASN  60   3.883  10.219  -9.414
  461   1HD2  ASN  60          1HD2      ASN  60   2.499  11.648 -10.455
  462   2HD2  ASN  60          2HD2      ASN  60   0.940  11.171 -11.027
  463    H    ILE  61           H        ILE  61   2.808   6.026  -9.572
  464    HA   ILE  61           HA       ILE  61   4.705   5.990 -11.766
  465    HB   ILE  61           HB       ILE  61   3.618   3.691 -12.181
  466   1HG1  ILE  61          2HG1      ILE  61   2.565   4.257  -9.398
  467   2HG1  ILE  61          1HG1      ILE  61   1.581   4.086 -10.849
  468   1HG2  ILE  61          1HG2      ILE  61   5.379   2.872 -11.085
  469   2HG2  ILE  61          2HG2      ILE  61   4.805   3.483  -9.533
  470   3HG2  ILE  61          3HG2      ILE  61   5.714   4.540 -10.615
  471   1HD1  ILE  61          1HD1      ILE  61   2.574   1.764 -11.048
  472   2HD1  ILE  61          2HD1      ILE  61   1.430   2.037  -9.735
  473   3HD1  ILE  61          3HD1      ILE  61   3.162   1.992  -9.404
  474    H    GLN  62           H        GLN  62   3.889   5.047 -13.881
  475    HA   GLN  62           HA       GLN  62   2.015   6.854 -15.022
  476   1HB   GLN  62          2HB       GLN  62   4.098   5.654 -16.048
  477   2HB   GLN  62          1HB       GLN  62   2.965   4.355 -16.386
  478   1HG   GLN  62          2HG       GLN  62   1.651   6.553 -17.363
  479   2HG   GLN  62          1HG       GLN  62   3.339   6.920 -17.718
  480   1HE2  GLN  62          1HE2      GLN  62   2.682   6.719 -19.958
  481   2HE2  GLN  62          2HE2      GLN  62   2.601   5.153 -20.683
  482    H    LYS  63           H        LYS  63   0.832   4.905 -16.895
  483    HA   LYS  63           HA       LYS  63  -1.401   4.054 -15.208
  484   1HB   LYS  63          2HB       LYS  63  -2.606   3.765 -17.362
  485   2HB   LYS  63          1HB       LYS  63  -2.015   5.399 -17.109
  486   1HG   LYS  63          2HG       LYS  63  -0.088   3.786 -18.535
  487   2HG   LYS  63          1HG       LYS  63  -1.649   3.825 -19.357
  488   1HD   LYS  63          2HD       LYS  63  -1.211   6.456 -18.553
  489   2HD   LYS  63          1HD       LYS  63   0.362   5.894 -19.112
  490   1HE   LYS  63          2HE       LYS  63  -0.778   6.848 -20.977
  491   2HE   LYS  63          1HE       LYS  63  -0.741   5.098 -21.201
  492   1HZ   LYS  63          1HZ       LYS  63  -3.064   5.516 -19.861
  493   2HZ   LYS  63          2HZ       LYS  63  -2.922   5.285 -21.531
  494   3HZ   LYS  63          3HZ       LYS  63  -2.990   6.851 -20.899
  495    H    GLU  64           H        GLU  64  -2.309   1.952 -15.399
  496    HA   GLU  64           HA       GLU  64  -2.294  -0.324 -15.608
  497   1HB   GLU  64          2HB       GLU  64  -0.762   0.562 -17.896
  498   2HB   GLU  64          1HB       GLU  64  -0.099  -0.937 -17.258
  499   1HG   GLU  64          2HG       GLU  64  -1.654  -1.986 -18.432
  500   2HG   GLU  64          1HG       GLU  64  -2.824  -1.375 -17.264
  501    H    SER  65           H        SER  65  -1.646  -0.319 -13.445
  502    HA   SER  65           HA       SER  65   0.875  -1.639 -12.992
  503   1HB   SER  65          2HB       SER  65   0.463   1.199 -12.306
  504   2HB   SER  65          1HB       SER  65   1.103   0.207 -10.996
  505    HG   SER  65           HG       SER  65   2.581  -0.554 -12.850
  506    H    THR  66           H        THR  66   0.385  -3.265 -11.716
  507    HA   THR  66           HA       THR  66  -2.061  -3.420 -10.292
  508    HB   THR  66           HB       THR  66  -1.284  -5.589  -9.529
  509    HG1  THR  66           1HG      THR  66   1.192  -5.320 -10.774
  510   1HG2  THR  66          1HG2      THR  66  -1.855  -6.265 -11.561
  511   2HG2  THR  66          2HG2      THR  66  -0.137  -6.214 -11.957
  512   3HG2  THR  66          3HG2      THR  66  -1.166  -4.828 -12.317
  513    H    LEU  67           H        LEU  67  -2.547  -3.249  -8.183
  514    HA   LEU  67           HA       LEU  67  -0.432  -2.234  -6.406
  515   1HB   LEU  67          2HB       LEU  67  -3.383  -1.585  -6.424
  516   2HB   LEU  67          1HB       LEU  67  -2.255  -1.046  -5.195
  517    HG   LEU  67           HG       LEU  67  -0.989  -0.028  -7.286
  518   1HD1  LEU  67          1HD1      LEU  67  -3.857   0.004  -8.206
  519   2HD1  LEU  67          2HD1      LEU  67  -2.602  -1.028  -8.890
  520   3HD1  LEU  67          3HD1      LEU  67  -2.467   0.725  -9.016
  521   1HD2  LEU  67          1HD2      LEU  67  -3.294   1.025  -5.708
  522   2HD2  LEU  67          2HD2      LEU  67  -2.574   2.017  -6.977
  523   3HD2  LEU  67          3HD2      LEU  67  -1.586   1.456  -5.627
  524    H    HIS  68           H        HIS  68  -0.268  -3.140  -4.350
  525    HA   HIS  68           HA       HIS  68  -2.097  -5.397  -3.813
  526   1HB   HIS  68          2HB       HIS  68   0.298  -5.982  -4.420
  527   2HB   HIS  68          1HB       HIS  68   0.779  -5.214  -2.912
  528    HD1  HIS  68           1HD      HIS  68   1.524  -7.228  -1.617
  529    HD2  HIS  68           2HD      HIS  68  -2.268  -7.695  -3.251
  530    HE1  HIS  68           1HE      HIS  68   0.629  -9.362  -0.636
  531    HE2  HIS  68           2HE      HIS  68  -1.634  -9.668  -1.703
  532    H    LEU  69           H        LEU  69  -3.315  -5.130  -2.045
  533    HA   LEU  69           HA       LEU  69  -2.239  -3.455   0.132
  534   1HB   LEU  69          2HB       LEU  69  -4.743  -3.282  -1.338
  535   2HB   LEU  69          1HB       LEU  69  -5.011  -3.424   0.388
  536    HG   LEU  69           HG       LEU  69  -3.003  -1.424  -0.482
  537   1HD1  LEU  69          1HD1      LEU  69  -5.272   0.066  -0.576
  538   2HD1  LEU  69          2HD1      LEU  69  -5.795  -1.414  -1.379
  539   3HD1  LEU  69          3HD1      LEU  69  -4.400  -0.526  -1.990
  540   1HD2  LEU  69          1HD2      LEU  69  -4.065  -2.079   1.893
  541   2HD2  LEU  69          2HD2      LEU  69  -5.198  -0.823   1.398
  542   3HD2  LEU  69          3HD2      LEU  69  -3.476  -0.462   1.508
  543    H    VAL  70           H        VAL  70  -1.899  -4.556   1.913
  544    HA   VAL  70           HA       VAL  70  -3.512  -6.969   2.424
  545    HB   VAL  70           HB       VAL  70  -0.756  -6.416   3.522
  546   1HG1  VAL  70          1HG1      VAL  70  -2.558  -8.824   3.523
  547   2HG1  VAL  70          2HG1      VAL  70  -1.893  -7.956   4.908
  548   3HG1  VAL  70          3HG1      VAL  70  -0.833  -8.918   3.878
  549   1HG2  VAL  70          1HG2      VAL  70   0.225  -7.588   1.801
  550   2HG2  VAL  70          2HG2      VAL  70  -1.050  -6.725   0.940
  551   3HG2  VAL  70          3HG2      VAL  70  -1.268  -8.420   1.371
  552    H    LEU  71           H        LEU  71  -4.149  -7.433   4.597
  553    HA   LEU  71           HA       LEU  71  -4.032  -5.101   6.398
  554   1HB   LEU  71          2HB       LEU  71  -6.372  -6.950   5.972
  555   2HB   LEU  71          1HB       LEU  71  -6.287  -5.735   7.219
  556    HG   LEU  71           HG       LEU  71  -5.988  -4.068   5.259
  557   1HD1  LEU  71          1HD1      LEU  71  -7.625  -5.857   3.613
  558   2HD1  LEU  71          2HD1      LEU  71  -5.930  -6.323   3.744
  559   3HD1  LEU  71          3HD1      LEU  71  -6.361  -4.721   3.146
  560   1HD2  LEU  71          1HD2      LEU  71  -7.977  -3.601   6.158
  561   2HD2  LEU  71          2HD2      LEU  71  -8.327  -5.300   6.466
  562   3HD2  LEU  71          3HD2      LEU  71  -8.669  -4.602   4.883
  563    H    ARG  72           H        ARG  72  -2.067  -6.631   6.883
  564    HA   ARG  72           HA       ARG  72  -2.617  -8.954   8.460
  565   1HB   ARG  72          2HB       ARG  72  -0.170  -7.336   7.841
  566   2HB   ARG  72          1HB       ARG  72  -0.122  -8.529   9.131
  567   1HG   ARG  72          2HG       ARG  72  -1.283  -9.842   6.956
  568   2HG   ARG  72          1HG       ARG  72   0.048  -8.897   6.284
  569   1HD   ARG  72          2HD       ARG  72   0.926 -11.027   6.890
  570   2HD   ARG  72          1HD       ARG  72   1.516  -9.858   8.070
  571    HE   ARG  72           HE       ARG  72   0.076 -10.786   9.684
  572   1HH1  ARG  72          1HH1      ARG  72  -0.087 -12.494   6.634
  573   2HH1  ARG  72          2HH1      ARG  72  -0.830 -13.895   7.324
  574   1HH2  ARG  72          1HH2      ARG  72  -0.903 -12.629  10.578
  575   2HH2  ARG  72          2HH2      ARG  72  -1.293 -13.974   9.558
  576    H    LEU  73           H        LEU  73  -2.182  -9.179  10.760
  577    HA   LEU  73           HA       LEU  73  -3.020  -6.802  12.223
  578   1HB   LEU  73          2HB       LEU  73  -3.993  -9.172  12.501
  579   2HB   LEU  73          1HB       LEU  73  -2.537  -9.515  13.416
  580    HG   LEU  73           HG       LEU  73  -3.181  -7.483  14.854
  581   1HD1  LEU  73          1HD1      LEU  73  -5.906  -7.594  14.733
  582   2HD1  LEU  73          2HD1      LEU  73  -5.456  -7.656  13.028
  583   3HD1  LEU  73          3HD1      LEU  73  -4.906  -6.319  14.037
  584   1HD2  LEU  73          1HD2      LEU  73  -5.068  -8.999  15.940
  585   2HD2  LEU  73          2HD2      LEU  73  -3.359  -9.427  16.022
  586   3HD2  LEU  73          3HD2      LEU  73  -4.402 -10.186  14.818
  587    H    ARG  74           H        ARG  74  -1.842  -5.801  13.817
  588    HA   ARG  74           HA       ARG  74   0.804  -6.851  14.455
  589   1HB   ARG  74          2HB       ARG  74   0.612  -4.949  12.539
  590   2HB   ARG  74          1HB       ARG  74   0.742  -3.939  13.973
  591   1HG   ARG  74          2HG       ARG  74   2.943  -4.175  13.354
  592   2HG   ARG  74          1HG       ARG  74   2.764  -5.463  14.547
  593   1HD   ARG  74          2HD       ARG  74   2.104  -6.864  12.406
  594   2HD   ARG  74          1HD       ARG  74   3.058  -5.628  11.592
  595    HE   ARG  74           HE       ARG  74   4.956  -6.314  12.887
  596   1HH1  ARG  74          1HH1      ARG  74   2.195  -8.451  13.122
  597   2HH1  ARG  74          2HH1      ARG  74   3.140  -9.804  13.640
  598   1HH2  ARG  74          1HH2      ARG  74   6.184  -8.097  13.571
  599   2HH2  ARG  74          2HH2      ARG  74   5.397  -9.605  13.898
  600    H    GLY  75           H        GLY  75  -1.927  -6.192  15.727
  601   1HA   GLY  75          2HA       GLY  75  -1.221  -4.270  17.772
  602   2HA   GLY  75          1HA       GLY  75  -2.734  -5.152  17.646
  603    H    GLY  76           H        GLY  76   0.524  -6.557  17.757
  604   1HA   GLY  76          2HA       GLY  76   1.560  -7.827  19.368
  605   2HA   GLY  76          1HA       GLY  76   0.393  -7.213  20.531
  606    H    HIS  77           H        HIS  77   1.395  -9.901  20.343
  607    HA   HIS  77           HA       HIS  77  -0.749 -11.484  19.210
  608   1HB   HIS  77          2HB       HIS  77   1.887 -11.991  19.528
  609   2HB   HIS  77          1HB       HIS  77   1.253 -12.767  20.976
  610    HD1  HIS  77           1HD      HIS  77   2.312 -14.867  19.477
  611    HD2  HIS  77           2HD      HIS  77  -1.320 -13.233  18.286
  612    HE1  HIS  77           1HE      HIS  77   1.241 -16.606  18.010
  613    HE2  HIS  77           2HE      HIS  77  -0.973 -15.613  17.332
  614    H    HIS  78           H        HIS  78  -1.666 -13.279  20.629
  615    HA   HIS  78           HA       HIS  78  -2.289 -12.208  23.304
  616   1HB   HIS  78          2HB       HIS  78  -4.558 -13.242  23.022
  617   2HB   HIS  78          1HB       HIS  78  -4.238 -11.896  21.933
  618    HD1  HIS  78           1HD      HIS  78  -3.552 -12.623  19.419
  619    HD2  HIS  78           2HD      HIS  78  -5.319 -15.547  21.785
  620    HE1  HIS  78           1HE      HIS  78  -4.331 -14.402  17.821
  621    HE2  HIS  78           2HE      HIS  78  -5.470 -16.120  19.267
  622    H    HIS  79           H        HIS  79  -2.393 -13.647  24.990
  623    HA   HIS  79           HA       HIS  79  -1.270 -16.294  24.447
  624   1HB   HIS  79          2HB       HIS  79  -0.246 -14.727  26.161
  625   2HB   HIS  79          1HB       HIS  79  -1.676 -15.008  27.147
  626    HD1  HIS  79           1HD      HIS  79   1.223 -16.918  25.634
  627    HD2  HIS  79           2HD      HIS  79  -1.586 -17.270  28.676
  628    HE1  HIS  79           1HE      HIS  79   1.892 -18.964  26.933
  629    HE2  HIS  79           2HE      HIS  79   0.123 -19.210  28.710
  630    H    HIS  80           H        HIS  80  -2.436 -18.103  24.613
  631    HA   HIS  80           HA       HIS  80  -5.202 -17.871  25.532
  632   1HB   HIS  80          2HB       HIS  80  -3.765 -19.613  23.617
  633   2HB   HIS  80          1HB       HIS  80  -5.072 -20.371  24.518
  634    HD1  HIS  80           1HD      HIS  80  -6.656 -17.447  24.445
  635    HD2  HIS  80           2HD      HIS  80  -5.386 -19.839  21.293
  636    HE1  HIS  80           1HE      HIS  80  -8.103 -16.809  22.492
  637    HE2  HIS  80           2HE      HIS  80  -7.363 -18.318  20.615
  638    H    HIS  81           H        HIS  81  -5.706 -18.484  27.509
  639    HA   HIS  81           HA       HIS  81  -3.898 -20.054  29.119
  640   1HB   HIS  81          2HB       HIS  81  -5.175 -18.181  30.085
  641   2HB   HIS  81          1HB       HIS  81  -6.681 -19.016  29.722
  642    HD1  HIS  81           1HD      HIS  81  -4.047 -21.234  30.981
  643    HD2  HIS  81           2HD      HIS  81  -7.080 -18.896  32.588
  644    HE1  HIS  81           1HE      HIS  81  -4.343 -22.049  33.339
  645    HE2  HIS  81           2HE      HIS  81  -6.126 -20.563  34.319
  646    H    HIS  82           H        HIS  82  -3.965 -22.222  29.395
  647    HA   HIS  82           HA       HIS  82  -5.950 -23.774  28.011
  648   1HB   HIS  82          2HB       HIS  82  -3.375 -24.256  28.503
  649   2HB   HIS  82          1HB       HIS  82  -4.052 -25.050  29.922
  650    HD1  HIS  82           1HD      HIS  82  -3.687 -27.450  29.270
  651    HD2  HIS  82           2HD      HIS  82  -5.639 -25.270  26.321
  652    HE1  HIS  82           1HE      HIS  82  -4.419 -29.141  27.559
  653    HE2  HIS  82           2HE      HIS  82  -5.689 -27.810  25.837
  Start of MODEL    9
    1   1H    MET   1          1HT       MET   1  -8.683   7.244 -17.399
    2   2H    MET   1          2HT       MET   1  -8.306   8.030 -15.925
    3   3H    MET   1          3HT       MET   1  -9.716   7.070 -16.043
    4    HA   MET   1           HA       MET   1  -8.117   5.210 -16.656
    5   1HB   MET   1          2HB       MET   1  -5.933   5.503 -15.463
    6   2HB   MET   1          1HB       MET   1  -6.122   6.519 -16.885
    7   1HG   MET   1          2HG       MET   1  -5.416   8.163 -15.563
    8   2HG   MET   1          1HG       MET   1  -7.054   8.153 -14.916
    9   1HE   MET   1          1HE       MET   1  -3.172   7.443 -13.760
   10   2HE   MET   1          2HE       MET   1  -3.761   8.435 -12.426
   11   3HE   MET   1          3HE       MET   1  -4.069   8.925 -14.091
   12    H    GLN   2           H        GLN   2  -7.618   3.697 -14.909
   13    HA   GLN   2           HA       GLN   2  -8.358   4.380 -12.219
   14   1HB   GLN   2          2HB       GLN   2 -10.302   3.150 -14.044
   15   2HB   GLN   2          1HB       GLN   2 -10.102   2.293 -12.522
   16   1HG   GLN   2          2HG       GLN   2 -11.253   3.822 -11.405
   17   2HG   GLN   2          1HG       GLN   2 -10.329   5.145 -12.116
   18   1HE2  GLN   2          1HE2      GLN   2 -12.544   2.706 -13.422
   19   2HE2  GLN   2          2HE2      GLN   2 -13.596   3.828 -14.206
   20    H    ILE   3           H        ILE   3  -6.689   3.446 -11.257
   21    HA   ILE   3           HA       ILE   3  -5.455   1.044 -12.179
   22    HB   ILE   3           HB       ILE   3  -4.172   1.161 -10.036
   23   1HG1  ILE   3          2HG1      ILE   3  -4.611   3.659  -9.044
   24   2HG1  ILE   3          1HG1      ILE   3  -6.249   3.183  -9.474
   25   1HG2  ILE   3          1HG2      ILE   3  -2.982   3.251 -10.601
   26   2HG2  ILE   3          2HG2      ILE   3  -4.297   3.673 -11.698
   27   3HG2  ILE   3          3HG2      ILE   3  -3.312   2.244 -12.010
   28   1HD1  ILE   3          1HD1      ILE   3  -4.450   1.464  -7.813
   29   2HD1  ILE   3          2HD1      ILE   3  -6.190   1.326  -8.030
   30   3HD1  ILE   3          3HD1      ILE   3  -5.519   2.683  -7.122
   31    H    PHE   4           H        PHE   4  -5.043  -0.764 -10.510
   32    HA   PHE   4           HA       PHE   4  -7.640  -1.522  -9.352
   33   1HB   PHE   4          2HB       PHE   4  -5.605  -3.039 -10.884
   34   2HB   PHE   4          1HB       PHE   4  -6.391  -3.896  -9.562
   35    HD1  PHE   4           1HD      PHE   4  -8.242  -5.126 -10.107
   36    HD2  PHE   4           2HD      PHE   4  -7.352  -1.633 -12.367
   37    HE1  PHE   4           1HE      PHE   4 -10.184  -5.571 -11.552
   38    HE2  PHE   4           2HE      PHE   4  -9.291  -2.068 -13.816
   39    HZ   PHE   4           HZ       PHE   4 -10.711  -4.041 -13.409
   40    H    VAL   5           H        VAL   5  -7.708  -2.478  -7.323
   41    HA   VAL   5           HA       VAL   5  -5.205  -2.585  -5.801
   42    HB   VAL   5           HB       VAL   5  -7.670  -1.243  -4.697
   43   1HG1  VAL   5          1HG1      VAL   5  -6.531  -1.744  -2.818
   44   2HG1  VAL   5          2HG1      VAL   5  -5.578  -0.330  -3.262
   45   3HG1  VAL   5          3HG1      VAL   5  -5.001  -1.945  -3.673
   46   1HG2  VAL   5          1HG2      VAL   5  -5.186   0.141  -5.692
   47   2HG2  VAL   5          2HG2      VAL   5  -6.673   0.884  -5.100
   48   3HG2  VAL   5          3HG2      VAL   5  -6.671   0.005  -6.630
   49    H    LYS   6           H        LYS   6  -5.071  -4.510  -4.871
   50    HA   LYS   6           HA       LYS   6  -7.488  -6.068  -4.454
   51   1HB   LYS   6          2HB       LYS   6  -5.184  -6.864  -5.458
   52   2HB   LYS   6          1HB       LYS   6  -4.763  -7.071  -3.769
   53   1HG   LYS   6          2HG       LYS   6  -5.695  -9.073  -3.850
   54   2HG   LYS   6          1HG       LYS   6  -7.259  -8.279  -4.038
   55   1HD   LYS   6          2HD       LYS   6  -7.431  -8.962  -6.156
   56   2HD   LYS   6          1HD       LYS   6  -5.818  -8.363  -6.544
   57   1HE   LYS   6          2HE       LYS   6  -6.498 -11.019  -5.290
   58   2HE   LYS   6          1HE       LYS   6  -5.945 -10.751  -6.942
   59   1HZ   LYS   6          1HZ       LYS   6  -4.411 -11.079  -4.596
   60   2HZ   LYS   6          2HZ       LYS   6  -4.080  -9.562  -5.266
   61   3HZ   LYS   6          3HZ       LYS   6  -3.882 -10.957  -6.200
   62    H    THR   7           H        THR   7  -8.469  -6.242  -2.605
   63    HA   THR   7           HA       THR   7  -7.247  -5.158  -0.195
   64    HB   THR   7           HB       THR   7 -10.007  -6.327  -0.291
   65    HG1  THR   7           1HG      THR   7 -10.694  -4.211  -0.979
   66   1HG2  THR   7          1HG2      THR   7  -9.855  -3.783   0.956
   67   2HG2  THR   7          2HG2      THR   7  -8.568  -4.802   1.597
   68   3HG2  THR   7          3HG2      THR   7 -10.245  -5.347   1.668
   69    H    LEU   8           H        LEU   8  -8.225  -6.540   1.875
   70    HA   LEU   8           HA       LEU   8  -6.663  -8.935   1.819
   71   1HB   LEU   8          2HB       LEU   8  -7.200  -7.227   3.765
   72   2HB   LEU   8          1HB       LEU   8  -8.551  -8.311   4.044
   73    HG   LEU   8           HG       LEU   8  -5.845  -9.518   3.805
   74   1HD1  LEU   8          1HD1      LEU   8  -6.787  -7.912   6.164
   75   2HD1  LEU   8          2HD1      LEU   8  -5.302  -7.719   5.238
   76   3HD1  LEU   8          3HD1      LEU   8  -5.521  -9.134   6.258
   77   1HD2  LEU   8          1HD2      LEU   8  -8.470 -10.239   4.746
   78   2HD2  LEU   8          2HD2      LEU   8  -7.252 -10.513   5.992
   79   3HD2  LEU   8          3HD2      LEU   8  -7.076 -11.263   4.406
   80    H    THR   9           H        THR   9  -9.990  -8.158   1.384
   81    HA   THR   9           HA       THR   9 -10.907 -10.861   1.856
   82    HB   THR   9           HB       THR   9 -13.089  -9.784   0.856
   83    HG1  THR   9           1HG      THR   9 -11.410  -7.709   0.743
   84   1HG2  THR   9          1HG2      THR   9 -13.358  -8.509   3.134
   85   2HG2  THR   9          2HG2      THR   9 -11.888  -9.398   3.534
   86   3HG2  THR   9          3HG2      THR   9 -13.344 -10.270   3.055
   87    H    GLY  10           H        GLY  10  -9.456  -9.261  -0.728
   88   1HA   GLY  10          2HA       GLY  10  -8.900 -10.418  -2.733
   89   2HA   GLY  10          1HA       GLY  10 -10.365 -11.371  -2.549
   90    H    ALA  11           H        ALA  11 -11.510  -8.547  -1.818
   91    HA   ALA  11           HA       ALA  11 -12.619  -8.073  -4.435
   92   1HB   ALA  11          1HB       ALA  11 -13.414  -6.018  -2.669
   93   2HB   ALA  11          2HB       ALA  11 -13.375  -7.520  -1.746
   94   3HB   ALA  11          3HB       ALA  11 -14.344  -7.411  -3.216
   95    H    THR  12           H        THR  12 -11.498  -6.945  -5.917
   96    HA   THR  12           HA       THR  12  -9.538  -4.998  -5.155
   97    HB   THR  12           HB       THR  12  -9.059  -4.792  -7.488
   98    HG1  THR  12           1HG      THR  12 -11.685  -5.434  -7.774
   99   1HG2  THR  12          1HG2      THR  12  -8.634  -7.084  -6.344
  100   2HG2  THR  12          2HG2      THR  12  -8.436  -6.913  -8.087
  101   3HG2  THR  12          3HG2      THR  12  -9.902  -7.647  -7.434
  102    H    ILE  13           H        ILE  13  -9.716  -2.788  -5.217
  103    HA   ILE  13           HA       ILE  13 -12.396  -1.736  -5.869
  104    HB   ILE  13           HB       ILE  13 -10.432  -0.455  -3.977
  105   1HG1  ILE  13          2HG1      ILE  13 -12.722  -1.547  -2.643
  106   2HG1  ILE  13          1HG1      ILE  13 -11.934  -2.822  -3.567
  107   1HG2  ILE  13          1HG2      ILE  13 -11.890   1.214  -4.561
  108   2HG2  ILE  13          2HG2      ILE  13 -12.736   0.510  -3.183
  109   3HG2  ILE  13          3HG2      ILE  13 -13.230   0.101  -4.826
  110   1HD1  ILE  13          1HD1      ILE  13 -10.132  -1.107  -2.019
  111   2HD1  ILE  13          2HD1      ILE  13 -10.142  -2.853  -2.235
  112   3HD1  ILE  13          3HD1      ILE  13 -11.237  -2.104  -1.072
  113    H    THR  14           H        THR  14 -12.618   0.097  -7.047
  114    HA   THR  14           HA       THR  14 -10.287   0.915  -8.612
  115    HB   THR  14           HB       THR  14 -12.329   2.294  -9.726
  116    HG1  THR  14           1HG      THR  14 -14.193   1.127  -9.609
  117   1HG2  THR  14          1HG2      THR  14 -11.944   1.001 -11.478
  118   2HG2  THR  14          2HG2      THR  14 -12.514  -0.437 -10.634
  119   3HG2  THR  14          3HG2      THR  14 -10.837   0.086 -10.453
  120    H    LEU  15           H        LEU  15  -9.248   2.787  -8.245
  121    HA   LEU  15           HA       LEU  15 -10.707   4.955  -6.928
  122   1HB   LEU  15          2HB       LEU  15  -8.773   3.318  -5.659
  123   2HB   LEU  15          1HB       LEU  15  -8.049   4.899  -5.883
  124    HG   LEU  15           HG       LEU  15 -10.790   4.896  -4.782
  125   1HD1  LEU  15          1HD1      LEU  15  -8.814   4.446  -2.692
  126   2HD1  LEU  15          2HD1      LEU  15  -9.076   3.036  -3.719
  127   3HD1  LEU  15          3HD1      LEU  15 -10.436   3.782  -2.881
  128   1HD2  LEU  15          1HD2      LEU  15  -9.548   6.960  -5.073
  129   2HD2  LEU  15          2HD2      LEU  15  -8.233   6.332  -4.080
  130   3HD2  LEU  15          3HD2      LEU  15  -9.813   6.648  -3.362
  131    H    GLU  16           H        GLU  16  -9.549   6.995  -6.944
  132    HA   GLU  16           HA       GLU  16  -7.936   7.319  -9.388
  133   1HB   GLU  16          2HB       GLU  16 -10.217   8.826  -8.286
  134   2HB   GLU  16          1HB       GLU  16  -8.896   9.821  -8.878
  135   1HG   GLU  16          2HG       GLU  16  -9.977   9.647 -10.829
  136   2HG   GLU  16          1HG       GLU  16  -9.150   8.093 -10.928
  137    H    VAL  17           H        VAL  17  -5.982   8.333  -9.233
  138    HA   VAL  17           HA       VAL  17  -5.019   8.895  -6.562
  139    HB   VAL  17           HB       VAL  17  -2.807   9.135  -7.670
  140   1HG1  VAL  17          1HG1      VAL  17  -3.899   6.576  -8.697
  141   2HG1  VAL  17          2HG1      VAL  17  -4.041   6.902  -6.969
  142   3HG1  VAL  17          3HG1      VAL  17  -2.453   6.889  -7.735
  143   1HG2  VAL  17          1HG2      VAL  17  -2.572   8.543 -10.020
  144   2HG2  VAL  17          2HG2      VAL  17  -3.593   9.967  -9.826
  145   3HG2  VAL  17          3HG2      VAL  17  -4.326   8.401 -10.165
  146    H    GLU  18           H        GLU  18  -3.525  10.763  -6.252
  147    HA   GLU  18           HA       GLU  18  -4.099  13.158  -7.796
  148   1HB   GLU  18          2HB       GLU  18  -5.885  12.927  -6.015
  149   2HB   GLU  18          1HB       GLU  18  -4.607  13.142  -4.830
  150   1HG   GLU  18          2HG       GLU  18  -4.124  15.334  -5.666
  151   2HG   GLU  18          1HG       GLU  18  -5.266  15.124  -6.990
  152    H    SER  19           H        SER  19  -2.601  14.820  -7.498
  153    HA   SER  19           HA       SER  19   0.025  14.000  -6.832
  154   1HB   SER  19          2HB       SER  19  -1.125  16.791  -7.146
  155   2HB   SER  19          1HB       SER  19   0.595  16.416  -7.049
  156    HG   SER  19           HG       SER  19  -1.229  15.560  -9.046
  157    H    SER  20           H        SER  20  -2.438  15.857  -5.175
  158    HA   SER  20           HA       SER  20  -0.829  16.271  -2.809
  159   1HB   SER  20          2HB       SER  20  -3.003  17.186  -1.868
  160   2HB   SER  20          1HB       SER  20  -2.394  18.006  -3.306
  161    HG   SER  20           HG       SER  20  -4.604  17.589  -3.518
  162    H    ASP  21           H        ASP  21  -1.961  13.516  -3.906
  163    HA   ASP  21           HA       ASP  21  -3.395  12.551  -1.588
  164   1HB   ASP  21          2HB       ASP  21  -3.655  11.821  -4.085
  165   2HB   ASP  21          1HB       ASP  21  -2.292  10.774  -3.726
  166    H    THR  22           H        THR  22  -2.324  12.072   0.220
  167    HA   THR  22           HA       THR  22   0.315  10.787  -0.021
  168    HB   THR  22           HB       THR  22   0.977  11.836   2.050
  169    HG1  THR  22           1HG      THR  22  -0.534  13.448   2.937
  170   1HG2  THR  22          1HG2      THR  22   0.662  14.294   1.467
  171   2HG2  THR  22          2HG2      THR  22  -0.189  13.715   0.035
  172   3HG2  THR  22          3HG2      THR  22   1.491  13.272   0.299
  173    H    ILE  23           H        ILE  23   0.842   9.638   2.177
  174    HA   ILE  23           HA       ILE  23  -0.888   7.450   2.397
  175    HB   ILE  23           HB       ILE  23   1.073   8.311   4.521
  176   1HG1  ILE  23          2HG1      ILE  23   2.126   8.296   2.277
  177   2HG1  ILE  23          1HG1      ILE  23   2.753   7.024   3.306
  178   1HG2  ILE  23          1HG2      ILE  23   0.489   6.416   5.523
  179   2HG2  ILE  23          2HG2      ILE  23   0.967   5.504   4.095
  180   3HG2  ILE  23          3HG2      ILE  23  -0.686   6.094   4.260
  181   1HD1  ILE  23          1HD1      ILE  23   1.122   5.474   2.184
  182   2HD1  ILE  23          2HD1      ILE  23   2.456   6.065   1.195
  183   3HD1  ILE  23          3HD1      ILE  23   0.848   6.767   1.015
  184    H    ASP  24           H        ASP  24  -0.965  10.536   3.947
  185    HA   ASP  24           HA       ASP  24  -2.587   9.722   6.180
  186   1HB   ASP  24          2HB       ASP  24  -2.103  12.489   5.048
  187   2HB   ASP  24          1HB       ASP  24  -2.805  12.122   6.620
  188    H    ASN  25           H        ASN  25  -3.114  11.197   3.025
  189    HA   ASN  25           HA       ASN  25  -5.855  11.750   3.285
  190   1HB   ASN  25          2HB       ASN  25  -3.899  11.652   1.128
  191   2HB   ASN  25          1HB       ASN  25  -5.491  11.115   0.599
  192   1HD2  ASN  25          1HD2      ASN  25  -5.867  12.891  -0.672
  193   2HD2  ASN  25          2HD2      ASN  25  -6.155  14.467  -0.027
  194    H    VAL  26           H        VAL  26  -4.130   8.837   2.287
  195    HA   VAL  26           HA       VAL  26  -6.345   7.352   1.398
  196    HB   VAL  26           HB       VAL  26  -3.883   6.211   2.723
  197   1HG1  VAL  26          1HG1      VAL  26  -5.677   5.052   0.595
  198   2HG1  VAL  26          2HG1      VAL  26  -5.781   4.663   2.313
  199   3HG1  VAL  26          3HG1      VAL  26  -4.329   4.252   1.400
  200   1HG2  VAL  26          1HG2      VAL  26  -3.364   6.025   0.086
  201   2HG2  VAL  26          2HG2      VAL  26  -2.797   7.348   1.104
  202   3HG2  VAL  26          3HG2      VAL  26  -4.248   7.553   0.125
  203    H    LYS  27           H        LYS  27  -4.735   7.412   4.574
  204    HA   LYS  27           HA       LYS  27  -6.492   5.603   5.816
  205   1HB   LYS  27          2HB       LYS  27  -4.985   7.760   7.265
  206   2HB   LYS  27          1HB       LYS  27  -5.442   6.166   7.854
  207   1HG   LYS  27          2HG       LYS  27  -3.916   5.508   5.714
  208   2HG   LYS  27          1HG       LYS  27  -3.138   6.993   6.252
  209   1HD   LYS  27          2HD       LYS  27  -3.523   5.689   8.612
  210   2HD   LYS  27          1HD       LYS  27  -3.221   4.346   7.507
  211   1HE   LYS  27          2HE       LYS  27  -1.171   5.215   8.589
  212   2HE   LYS  27          1HE       LYS  27  -1.126   5.298   6.830
  213   1HZ   LYS  27          1HZ       LYS  27  -0.445   7.387   7.251
  214   2HZ   LYS  27          2HZ       LYS  27  -1.150   7.442   8.788
  215   3HZ   LYS  27          3HZ       LYS  27  -2.097   7.707   7.417
  216    H    SER  28           H        SER  28  -6.435   9.143   5.762
  217    HA   SER  28           HA       SER  28  -8.569   9.593   7.499
  218   1HB   SER  28          2HB       SER  28  -7.649  11.241   5.138
  219   2HB   SER  28          1HB       SER  28  -8.745  11.806   6.399
  220    HG   SER  28           HG       SER  28  -6.285  12.149   6.530
  221    H    LYS  29           H        LYS  29  -8.612   9.351   3.943
  222    HA   LYS  29           HA       LYS  29 -11.374   9.747   3.652
  223   1HB   LYS  29          2HB       LYS  29  -9.327   9.589   1.915
  224   2HB   LYS  29          1HB       LYS  29 -10.028   7.994   1.681
  225   1HG   LYS  29          2HG       LYS  29 -11.171   9.173   0.104
  226   2HG   LYS  29          1HG       LYS  29 -12.263   9.361   1.478
  227   1HD   LYS  29          2HD       LYS  29 -10.119  11.382   1.173
  228   2HD   LYS  29          1HD       LYS  29 -11.430  11.421  -0.007
  229   1HE   LYS  29          2HE       LYS  29 -12.831  12.324   1.469
  230   2HE   LYS  29          1HE       LYS  29 -12.456  11.091   2.670
  231   1HZ   LYS  29          1HZ       LYS  29 -10.909  13.577   2.167
  232   2HZ   LYS  29          2HZ       LYS  29 -10.474  12.375   3.273
  233   3HZ   LYS  29          3HZ       LYS  29 -11.895  13.264   3.506
  234    H    ILE  30           H        ILE  30 -10.044   7.268   5.321
  235    HA   ILE  30           HA       ILE  30 -11.842   5.204   4.336
  236    HB   ILE  30           HB       ILE  30 -10.029   5.079   6.745
  237   1HG1  ILE  30          2HG1      ILE  30  -9.424   4.002   3.995
  238   2HG1  ILE  30          1HG1      ILE  30  -8.897   5.596   4.521
  239   1HG2  ILE  30          1HG2      ILE  30 -11.982   3.307   5.668
  240   2HG2  ILE  30          2HG2      ILE  30 -10.942   3.082   7.073
  241   3HG2  ILE  30          3HG2      ILE  30 -10.387   2.575   5.478
  242   1HD1  ILE  30          1HD1      ILE  30  -7.070   4.221   4.900
  243   2HD1  ILE  30          2HD1      ILE  30  -8.069   2.919   5.539
  244   3HD1  ILE  30          3HD1      ILE  30  -7.823   4.382   6.484
  245    H    GLN  31           H        GLN  31 -12.736   7.788   5.606
  246    HA   GLN  31           HA       GLN  31 -14.011   6.853   8.063
  247   1HB   GLN  31          2HB       GLN  31 -13.395   9.469   6.863
  248   2HB   GLN  31          1HB       GLN  31 -14.952   9.390   7.673
  249   1HG   GLN  31          2HG       GLN  31 -13.796   8.526   9.689
  250   2HG   GLN  31          1HG       GLN  31 -12.258   8.788   8.865
  251   1HE2  GLN  31          1HE2      GLN  31 -12.951   9.987  11.289
  252   2HE2  GLN  31          2HE2      GLN  31 -13.078  11.692  11.043
  253    H    ALA  32           H        ALA  32 -14.812   5.680   5.537
  254    HA   ALA  32           HA       ALA  32 -17.534   6.744   5.232
  255   1HB   ALA  32          1HB       ALA  32 -17.516   5.240   3.158
  256   2HB   ALA  32          2HB       ALA  32 -15.774   5.136   3.412
  257   3HB   ALA  32          3HB       ALA  32 -16.532   6.703   3.124
  258    H    ALA  33           H        ALA  33 -16.305   3.480   4.593
  259    HA   ALA  33           HA       ALA  33 -18.585   2.346   5.984
  260   1HB   ALA  33          1HB       ALA  33 -16.368   1.117   4.357
  261   2HB   ALA  33          2HB       ALA  33 -18.054   1.345   3.892
  262   3HB   ALA  33          3HB       ALA  33 -17.636   0.178   5.146
  263    HA   PRO  34           HA       PRO  34 -16.209   1.642   9.698
  264   1HB   PRO  34          2HB       PRO  34 -18.042   0.309  11.114
  265   2HB   PRO  34          1HB       PRO  34 -18.248   2.023  10.731
  266   1HG   PRO  34          2HG       PRO  34 -19.460  -0.372   9.398
  267   2HG   PRO  34          1HG       PRO  34 -20.231   1.157   9.863
  268   1HD   PRO  34          2HD       PRO  34 -19.369   0.597   7.322
  269   2HD   PRO  34          1HD       PRO  34 -19.491   2.239   7.981
  270    H    GLY  35           H        GLY  35 -15.825  -0.320  11.225
  271   1HA   GLY  35          2HA       GLY  35 -15.548  -2.684  11.450
  272   2HA   GLY  35          1HA       GLY  35 -15.692  -2.833   9.703
  273    H    ILE  36           H        ILE  36 -13.876  -0.650   9.142
  274    HA   ILE  36           HA       ILE  36 -11.347  -1.920   9.951
  275    HB   ILE  36           HB       ILE  36 -11.822  -0.502   7.334
  276   1HG1  ILE  36          2HG1      ILE  36 -11.431  -3.434   7.366
  277   2HG1  ILE  36          1HG1      ILE  36 -12.980  -2.875   7.983
  278   1HG2  ILE  36          1HG2      ILE  36  -9.496  -1.580   8.694
  279   2HG2  ILE  36          2HG2      ILE  36  -9.595  -0.523   7.287
  280   3HG2  ILE  36          3HG2      ILE  36  -9.710  -2.271   7.086
  281   1HD1  ILE  36          1HD1      ILE  36 -12.642  -3.447   5.451
  282   2HD1  ILE  36          2HD1      ILE  36 -12.017  -1.799   5.388
  283   3HD1  ILE  36          3HD1      ILE  36 -13.661  -2.095   5.951
  284    HA   PRO  37           HA       PRO  37 -10.450   2.143  11.610
  285   1HB   PRO  37          2HB       PRO  37  -7.703   1.181  11.938
  286   2HB   PRO  37          1HB       PRO  37  -8.878   1.638  13.171
  287   1HG   PRO  37          2HG       PRO  37  -8.130  -0.923  12.786
  288   2HG   PRO  37          1HG       PRO  37  -9.760  -0.485  13.311
  289   1HD   PRO  37          2HD       PRO  37  -8.799  -1.252  10.581
  290   2HD   PRO  37          1HD       PRO  37 -10.276  -1.730  11.428
  291    HA   PRO  38           HA       PRO  38  -8.861   4.183   7.987
  292   1HB   PRO  38          2HB       PRO  38  -7.944   6.208   9.978
  293   2HB   PRO  38          1HB       PRO  38  -8.892   6.431   8.507
  294   1HG   PRO  38          2HG       PRO  38 -10.066   6.530  10.883
  295   2HG   PRO  38          1HG       PRO  38 -10.866   5.746   9.507
  296   1HD   PRO  38          2HD       PRO  38  -9.489   4.515  11.852
  297   2HD   PRO  38          1HD       PRO  38 -10.938   3.975  10.979
  298    H    ASP  39           H        ASP  39  -6.877   3.995  10.918
  299    HA   ASP  39           HA       ASP  39  -4.404   4.323   9.496
  300   1HB   ASP  39          2HB       ASP  39  -5.203   3.878  12.336
  301   2HB   ASP  39          1HB       ASP  39  -3.555   3.478  11.859
  302    H    GLN  40           H        GLN  40  -6.564   1.818   9.900
  303    HA   GLN  40           HA       GLN  40  -4.613  -0.313  10.008
  304   1HB   GLN  40          2HB       GLN  40  -7.060  -0.249  10.973
  305   2HB   GLN  40          1HB       GLN  40  -7.492  -0.757   9.349
  306   1HG   GLN  40          2HG       GLN  40  -7.094  -2.832   9.971
  307   2HG   GLN  40          1HG       GLN  40  -5.391  -2.430  10.106
  308   1HE2  GLN  40          1HE2      GLN  40  -7.072  -4.322  11.588
  309   2HE2  GLN  40          2HE2      GLN  40  -6.922  -3.890  13.252
  310    H    GLN  41           H        GLN  41  -5.104   1.730   7.670
  311    HA   GLN  41           HA       GLN  41  -5.106  -0.347   5.579
  312   1HB   GLN  41          2HB       GLN  41  -6.830   1.825   5.842
  313   2HB   GLN  41          1HB       GLN  41  -5.695   2.319   4.597
  314   1HG   GLN  41          2HG       GLN  41  -6.535   0.897   3.098
  315   2HG   GLN  41          1HG       GLN  41  -6.704  -0.403   4.274
  316   1HE2  GLN  41          1HE2      GLN  41  -8.541  -0.247   5.751
  317   2HE2  GLN  41          2HE2      GLN  41 -10.018   0.435   5.170
  318    H    GLU  42           H        GLU  42  -3.369  -0.496   4.374
  319    HA   GLU  42           HA       GLU  42  -1.627   1.755   3.880
  320   1HB   GLU  42          2HB       GLU  42  -1.051  -0.051   5.996
  321   2HB   GLU  42          1HB       GLU  42   0.113  -0.346   4.712
  322   1HG   GLU  42          2HG       GLU  42   1.209   1.537   5.132
  323   2HG   GLU  42          1HG       GLU  42  -0.281   2.481   5.199
  324    H    LEU  43           H        LEU  43  -0.026   1.314   2.203
  325    HA   LEU  43           HA       LEU  43  -0.917  -0.833   0.429
  326   1HB   LEU  43          2HB       LEU  43   0.703   1.661   0.039
  327   2HB   LEU  43          1HB       LEU  43   0.757   0.373  -1.149
  328    HG   LEU  43           HG       LEU  43  -1.950   0.753  -0.803
  329   1HD1  LEU  43          1HD1      LEU  43  -2.277   2.748   0.124
  330   2HD1  LEU  43          2HD1      LEU  43  -1.642   3.439  -1.369
  331   3HD1  LEU  43          3HD1      LEU  43  -0.569   3.173   0.005
  332   1HD2  LEU  43          1HD2      LEU  43  -0.323   2.220  -2.855
  333   2HD2  LEU  43          2HD2      LEU  43  -1.928   1.511  -3.022
  334   3HD2  LEU  43          3HD2      LEU  43  -0.514   0.467  -2.881
  335    H    ILE  44           H        ILE  44   0.395  -2.510  -0.196
  336    HA   ILE  44           HA       ILE  44   3.156  -2.534   0.755
  337    HB   ILE  44           HB       ILE  44   1.389  -4.896   1.332
  338   1HG1  ILE  44          2HG1      ILE  44   2.235  -3.139   3.570
  339   2HG1  ILE  44          1HG1      ILE  44   0.921  -2.546   2.567
  340   1HG2  ILE  44          1HG2      ILE  44   3.515  -5.692   1.479
  341   2HG2  ILE  44          2HG2      ILE  44   3.349  -5.061   3.115
  342   3HG2  ILE  44          3HG2      ILE  44   4.195  -4.118   1.887
  343   1HD1  ILE  44          1HD1      ILE  44  -0.312  -4.621   2.995
  344   2HD1  ILE  44          2HD1      ILE  44   0.042  -3.716   4.466
  345   3HD1  ILE  44          3HD1      ILE  44   0.988  -5.148   4.061
  346    H    PHE  45           H        PHE  45   4.508  -3.403  -0.693
  347    HA   PHE  45           HA       PHE  45   3.408  -4.704  -3.055
  348   1HB   PHE  45          2HB       PHE  45   6.126  -3.683  -2.306
  349   2HB   PHE  45          1HB       PHE  45   5.918  -4.720  -3.705
  350    HD1  PHE  45           1HD      PHE  45   3.486  -3.809  -4.912
  351    HD2  PHE  45           2HD      PHE  45   6.552  -1.526  -3.044
  352    HE1  PHE  45           1HE      PHE  45   2.858  -1.856  -6.265
  353    HE2  PHE  45           2HE      PHE  45   5.931   0.427  -4.395
  354    HZ   PHE  45           HZ       PHE  45   4.079   0.266  -6.005
  355    H    ALA  46           H        ALA  46   3.517  -5.973  -0.303
  356    HA   ALA  46           HA       ALA  46   3.742  -8.083   0.524
  357   1HB   ALA  46          1HB       ALA  46   3.505  -8.508  -2.187
  358   2HB   ALA  46          2HB       ALA  46   3.514  -9.758  -0.942
  359   3HB   ALA  46          3HB       ALA  46   5.005  -9.341  -1.785
  360    H    GLY  47           H        GLY  47   6.438  -7.448  -1.712
  361   1HA   GLY  47          2HA       GLY  47   8.317  -8.155   0.449
  362   2HA   GLY  47          1HA       GLY  47   8.681  -8.236  -1.276
  363    H    LYS  48           H        LYS  48   6.973  -5.528  -1.219
  364    HA   LYS  48           HA       LYS  48   9.238  -3.831  -0.376
  365   1HB   LYS  48          2HB       LYS  48   8.287  -4.149  -2.989
  366   2HB   LYS  48          1HB       LYS  48   7.585  -2.636  -2.446
  367   1HG   LYS  48          2HG       LYS  48   9.642  -2.164  -3.539
  368   2HG   LYS  48          1HG       LYS  48   9.850  -1.867  -1.811
  369   1HD   LYS  48          2HD       LYS  48  10.635  -4.404  -1.868
  370   2HD   LYS  48          1HD       LYS  48  11.016  -3.981  -3.537
  371   1HE   LYS  48          2HE       LYS  48  11.894  -1.921  -1.718
  372   2HE   LYS  48          1HE       LYS  48  12.567  -3.488  -1.271
  373   1HZ   LYS  48          1HZ       LYS  48  13.448  -3.740  -3.474
  374   2HZ   LYS  48          2HZ       LYS  48  13.965  -2.257  -2.848
  375   3HZ   LYS  48          3HZ       LYS  48  12.716  -2.303  -3.988
  376    H    GLN  49           H        GLN  49   8.580  -2.813   1.411
  377    HA   GLN  49           HA       GLN  49   5.766  -2.207   1.796
  378   1HB   GLN  49          2HB       GLN  49   8.071  -1.711   3.678
  379   2HB   GLN  49          1HB       GLN  49   6.357  -1.726   4.079
  380   1HG   GLN  49          2HG       GLN  49   6.215  -4.079   3.671
  381   2HG   GLN  49          1HG       GLN  49   7.863  -4.115   3.044
  382   1HE2  GLN  49          1HE2      GLN  49   9.545  -3.329   4.615
  383   2HE2  GLN  49          2HE2      GLN  49   9.378  -3.841   6.257
  384    H    LEU  50           H        LEU  50   4.859  -0.229   1.752
  385    HA   LEU  50           HA       LEU  50   6.377   1.932   0.630
  386   1HB   LEU  50          2HB       LEU  50   3.577   1.244   1.018
  387   2HB   LEU  50          1HB       LEU  50   3.893   2.939   1.350
  388    HG   LEU  50           HG       LEU  50   3.195   2.396  -1.009
  389   1HD1  LEU  50          1HD1      LEU  50   4.332   4.484  -0.380
  390   2HD1  LEU  50          2HD1      LEU  50   4.757   3.954  -2.007
  391   3HD1  LEU  50          3HD1      LEU  50   5.888   3.711  -0.676
  392   1HD2  LEU  50          1HD2      LEU  50   5.942   1.611  -1.693
  393   2HD2  LEU  50          2HD2      LEU  50   4.401   1.060  -2.356
  394   3HD2  LEU  50          3HD2      LEU  50   5.006   0.387  -0.841
  395    H    GLU  51           H        GLU  51   6.560   4.026   1.504
  396    HA   GLU  51           HA       GLU  51   6.761   4.033   4.441
  397   1HB   GLU  51          2HB       GLU  51   8.296   5.317   2.262
  398   2HB   GLU  51          1HB       GLU  51   8.077   6.272   3.721
  399   1HG   GLU  51          2HG       GLU  51   8.932   4.226   4.976
  400   2HG   GLU  51          1HG       GLU  51   9.451   3.630   3.399
  401    H    ASP  52           H        ASP  52   5.484   5.277   5.630
  402    HA   ASP  52           HA       ASP  52   3.266   6.600   4.604
  403   1HB   ASP  52          2HB       ASP  52   4.411   6.108   7.192
  404   2HB   ASP  52          1HB       ASP  52   3.813   7.763   7.109
  405    H    GLY  53           H        GLY  53   6.513   7.701   5.044
  406   1HA   GLY  53          2HA       GLY  53   5.830  10.524   4.879
  407   2HA   GLY  53          1HA       GLY  53   7.449   9.840   4.939
  408    H    ARG  54           H        ARG  54   5.440   8.328   2.649
  409    HA   ARG  54           HA       ARG  54   6.865   9.713   0.499
  410   1HB   ARG  54          2HB       ARG  54   5.357   7.100   0.406
  411   2HB   ARG  54          1HB       ARG  54   6.359   7.768  -0.875
  412   1HG   ARG  54          2HG       ARG  54   7.431   7.095   1.849
  413   2HG   ARG  54          1HG       ARG  54   7.387   5.936   0.518
  414   1HD   ARG  54          2HD       ARG  54   9.562   6.956   0.600
  415   2HD   ARG  54          1HD       ARG  54   8.718   7.517  -0.843
  416    HE   ARG  54           HE       ARG  54   8.500   9.230   1.485
  417   1HH1  ARG  54          1HH1      ARG  54  10.217   8.538  -1.478
  418   2HH1  ARG  54          2HH1      ARG  54  10.861  10.139  -1.622
  419   1HH2  ARG  54          1HH2      ARG  54   9.343  11.333   1.289
  420   2HH2  ARG  54          2HH2      ARG  54  10.369  11.723  -0.052
  421    H    THR  55           H        THR  55   5.861  10.838  -1.067
  422    HA   THR  55           HA       THR  55   2.970  11.182  -0.780
  423    HB   THR  55           HB       THR  55   3.548  13.154  -2.437
  424    HG1  THR  55           1HG      THR  55   5.782  13.847  -1.641
  425   1HG2  THR  55          1HG2      THR  55   2.830  13.365  -0.041
  426   2HG2  THR  55          2HG2      THR  55   3.844  14.660  -0.660
  427   3HG2  THR  55          3HG2      THR  55   4.535  13.418   0.383
  428    H    LEU  56           H        LEU  56   1.911  11.838  -3.025
  429    HA   LEU  56           HA       LEU  56   1.935   9.503  -4.598
  430   1HB   LEU  56          2HB       LEU  56   0.071  11.233  -4.322
  431   2HB   LEU  56          1HB       LEU  56   0.906  12.156  -5.557
  432    HG   LEU  56           HG       LEU  56   0.648   9.532  -6.567
  433   1HD1  LEU  56          1HD1      LEU  56  -1.151   8.718  -5.535
  434   2HD1  LEU  56          2HD1      LEU  56  -2.057   9.889  -6.487
  435   3HD1  LEU  56          3HD1      LEU  56  -1.568  10.276  -4.846
  436   1HD2  LEU  56          1HD2      LEU  56   0.365  12.103  -7.454
  437   2HD2  LEU  56          2HD2      LEU  56  -1.286  11.490  -7.532
  438   3HD2  LEU  56          3HD2      LEU  56  -0.005  10.654  -8.384
  439    H    SER  57           H        SER  57   3.101  12.776  -5.376
  440    HA   SER  57           HA       SER  57   4.136  12.244  -7.894
  441   1HB   SER  57          2HB       SER  57   4.810  14.275  -5.789
  442   2HB   SER  57          1HB       SER  57   5.778  14.180  -7.260
  443    HG   SER  57           HG       SER  57   4.046  14.745  -8.456
  444    H    ASP  58           H        ASP  58   5.444  11.508  -4.763
  445    HA   ASP  58           HA       ASP  58   8.127  11.010  -5.619
  446   1HB   ASP  58          2HB       ASP  58   6.562  10.406  -3.131
  447   2HB   ASP  58          1HB       ASP  58   8.160   9.703  -3.369
  448    H    TYR  59           H        TYR  59   5.196   9.143  -5.562
  449    HA   TYR  59           HA       TYR  59   6.644   6.886  -6.762
  450   1HB   TYR  59          2HB       TYR  59   5.065   6.861  -4.255
  451   2HB   TYR  59          1HB       TYR  59   4.745   5.536  -5.370
  452    HD1  TYR  59           1HD      TYR  59   6.776   6.619  -2.722
  453    HD2  TYR  59           2HD      TYR  59   6.909   4.355  -6.321
  454    HE1  TYR  59           1HE      TYR  59   8.799   5.475  -1.918
  455    HE2  TYR  59           2HE      TYR  59   8.929   3.202  -5.527
  456    HH   TYR  59           HH       TYR  59  10.896   4.077  -3.559
  457    H    ASN  60           H        ASN  60   5.147   8.910  -8.033
  458    HA   ASN  60           HA       ASN  60   2.500   8.043  -8.596
  459   1HB   ASN  60          2HB       ASN  60   3.829  10.398  -8.903
  460   2HB   ASN  60          1HB       ASN  60   3.842   9.793 -10.558
  461   1HD2  ASN  60          1HD2      ASN  60   2.516  11.963 -10.407
  462   2HD2  ASN  60          2HD2      ASN  60   0.805  11.734 -10.331
  463    H    ILE  61           H        ILE  61   2.459   6.045  -9.395
  464    HA   ILE  61           HA       ILE  61   4.188   5.159 -11.531
  465    HB   ILE  61           HB       ILE  61   2.774   3.090 -11.469
  466   1HG1  ILE  61          2HG1      ILE  61   1.482   4.495  -9.118
  467   2HG1  ILE  61          1HG1      ILE  61   0.694   4.115 -10.645
  468   1HG2  ILE  61          1HG2      ILE  61   4.291   4.159  -9.142
  469   2HG2  ILE  61          2HG2      ILE  61   4.696   2.847 -10.248
  470   3HG2  ILE  61          3HG2      ILE  61   3.486   2.598  -8.990
  471   1HD1  ILE  61          1HD1      ILE  61   1.589   1.680  -9.897
  472   2HD1  ILE  61          2HD1      ILE  61  -0.020   2.309  -9.546
  473   3HD1  ILE  61          3HD1      ILE  61   1.259   2.414  -8.335
  474    H    GLN  62           H        GLN  62   3.615   4.728 -13.622
  475    HA   GLN  62           HA       GLN  62   1.748   6.432 -14.848
  476   1HB   GLN  62          2HB       GLN  62   2.295   5.182 -16.915
  477   2HB   GLN  62          1HB       GLN  62   3.726   5.655 -16.015
  478   1HG   GLN  62          2HG       GLN  62   3.686   3.329 -15.008
  479   2HG   GLN  62          1HG       GLN  62   2.500   2.929 -16.249
  480   1HE2  GLN  62          1HE2      GLN  62   5.811   3.664 -15.574
  481   2HE2  GLN  62          2HE2      GLN  62   6.438   3.272 -17.133
  482    H    LYS  63           H        LYS  63   0.599   4.705 -16.792
  483    HA   LYS  63           HA       LYS  63  -1.745   3.844 -15.324
  484   1HB   LYS  63          2HB       LYS  63  -2.723   3.476 -17.562
  485   2HB   LYS  63          1HB       LYS  63  -2.067   5.096 -17.384
  486   1HG   LYS  63          2HG       LYS  63  -0.329   2.995 -18.566
  487   2HG   LYS  63          1HG       LYS  63  -1.639   3.658 -19.546
  488   1HD   LYS  63          2HD       LYS  63  -0.135   5.729 -18.167
  489   2HD   LYS  63          1HD       LYS  63   0.886   4.749 -19.219
  490   1HE   LYS  63          2HE       LYS  63  -0.263   5.365 -21.123
  491   2HE   LYS  63          1HE       LYS  63  -1.728   5.774 -20.232
  492   1HZ   LYS  63          1HZ       LYS  63  -1.025   7.866 -20.494
  493   2HZ   LYS  63          2HZ       LYS  63   0.563   7.411 -20.854
  494   3HZ   LYS  63          3HZ       LYS  63   0.062   7.529 -19.243
  495    H    GLU  64           H        GLU  64  -2.511   1.774 -15.162
  496    HA   GLU  64           HA       GLU  64  -2.550  -0.505 -15.193
  497   1HB   GLU  64          2HB       GLU  64  -0.864   0.085 -17.524
  498   2HB   GLU  64          1HB       GLU  64  -0.482  -1.447 -16.751
  499   1HG   GLU  64          2HG       GLU  64  -3.270  -1.353 -16.910
  500   2HG   GLU  64          1HG       GLU  64  -2.679  -0.752 -18.459
  501    H    SER  65           H        SER  65  -1.937  -0.419 -13.067
  502    HA   SER  65           HA       SER  65   0.650  -1.589 -12.496
  503   1HB   SER  65          2HB       SER  65   0.670   1.081 -12.423
  504   2HB   SER  65          1HB       SER  65   0.004   0.785 -10.819
  505    HG   SER  65           HG       SER  65   1.891  -0.787 -10.710
  506    H    THR  66           H        THR  66   0.158  -3.243 -11.253
  507    HA   THR  66           HA       THR  66  -2.280  -3.474  -9.825
  508    HB   THR  66           HB       THR  66   0.052  -5.219  -9.181
  509    HG1  THR  66           1HG      THR  66  -0.852  -6.308 -11.289
  510   1HG2  THR  66          1HG2      THR  66  -2.797  -5.403  -8.985
  511   2HG2  THR  66          2HG2      THR  66  -1.559  -6.496  -8.369
  512   3HG2  THR  66          3HG2      THR  66  -2.179  -6.704 -10.005
  513    H    LEU  67           H        LEU  67  -2.798  -3.121  -7.757
  514    HA   LEU  67           HA       LEU  67  -0.648  -2.272  -5.940
  515   1HB   LEU  67          2HB       LEU  67  -3.357  -1.071  -6.403
  516   2HB   LEU  67          1HB       LEU  67  -2.552  -0.876  -4.857
  517    HG   LEU  67           HG       LEU  67  -1.428   0.014  -7.514
  518   1HD1  LEU  67          1HD1      LEU  67  -1.930   2.260  -6.786
  519   2HD1  LEU  67          2HD1      LEU  67  -2.610   1.649  -5.277
  520   3HD1  LEU  67          3HD1      LEU  67  -3.400   1.294  -6.805
  521   1HD2  LEU  67          1HD2      LEU  67   0.379   0.901  -6.371
  522   2HD2  LEU  67          2HD2      LEU  67   0.131  -0.643  -5.561
  523   3HD2  LEU  67          3HD2      LEU  67  -0.448   0.842  -4.817
  524    H    HIS  68           H        HIS  68  -0.587  -3.272  -3.990
  525    HA   HIS  68           HA       HIS  68  -2.869  -5.020  -3.317
  526   1HB   HIS  68          2HB       HIS  68  -0.633  -6.097  -4.008
  527   2HB   HIS  68          1HB       HIS  68  -0.029  -5.532  -2.453
  528    HD1  HIS  68           1HD      HIS  68  -0.096  -7.338  -0.775
  529    HD2  HIS  68           2HD      HIS  68  -3.254  -7.615  -3.455
  530    HE1  HIS  68           1HE      HIS  68  -1.431  -9.340  -0.039
  531    HE2  HIS  68           2HE      HIS  68  -3.335  -9.492  -1.681
  532    H    LEU  69           H        LEU  69  -3.893  -4.525  -1.484
  533    HA   LEU  69           HA       LEU  69  -2.407  -3.020   0.573
  534   1HB   LEU  69          2HB       LEU  69  -4.340  -1.882  -0.739
  535   2HB   LEU  69          1HB       LEU  69  -5.389  -2.887   0.244
  536    HG   LEU  69           HG       LEU  69  -3.353  -1.153   1.565
  537   1HD1  LEU  69          1HD1      LEU  69  -5.630  -0.230   0.006
  538   2HD1  LEU  69          2HD1      LEU  69  -4.242   0.659   0.629
  539   3HD1  LEU  69          3HD1      LEU  69  -5.627   0.345   1.671
  540   1HD2  LEU  69          1HD2      LEU  69  -4.427  -1.722   3.434
  541   2HD2  LEU  69          2HD2      LEU  69  -5.247  -2.948   2.470
  542   3HD2  LEU  69          3HD2      LEU  69  -6.001  -1.374   2.726
  543    H    VAL  70           H        VAL  70  -2.097  -4.144   2.356
  544    HA   VAL  70           HA       VAL  70  -4.019  -6.260   3.063
  545    HB   VAL  70           HB       VAL  70  -1.143  -6.155   3.967
  546   1HG1  VAL  70          1HG1      VAL  70  -3.038  -7.552   5.114
  547   2HG1  VAL  70          2HG1      VAL  70  -1.451  -8.258   4.837
  548   3HG1  VAL  70          3HG1      VAL  70  -2.786  -8.631   3.746
  549   1HG2  VAL  70          1HG2      VAL  70  -0.485  -6.767   1.936
  550   2HG2  VAL  70          2HG2      VAL  70  -2.149  -6.776   1.356
  551   3HG2  VAL  70          3HG2      VAL  70  -1.468  -8.225   2.093
  552    H    LEU  71           H        LEU  71  -4.567  -6.533   5.257
  553    HA   LEU  71           HA       LEU  71  -4.137  -4.139   6.907
  554   1HB   LEU  71          2HB       LEU  71  -6.452  -4.507   6.162
  555   2HB   LEU  71          1HB       LEU  71  -6.444  -6.083   6.930
  556    HG   LEU  71           HG       LEU  71  -5.743  -3.906   8.755
  557   1HD1  LEU  71          1HD1      LEU  71  -8.253  -3.299   8.902
  558   2HD1  LEU  71          2HD1      LEU  71  -8.323  -3.869   7.237
  559   3HD1  LEU  71          3HD1      LEU  71  -7.261  -2.530   7.666
  560   1HD2  LEU  71          1HD2      LEU  71  -7.530  -5.067  10.089
  561   2HD2  LEU  71          2HD2      LEU  71  -6.162  -6.078   9.624
  562   3HD2  LEU  71          3HD2      LEU  71  -7.692  -6.202   8.754
  563    H    ARG  72           H        ARG  72  -2.735  -4.482   8.490
  564    HA   ARG  72           HA       ARG  72  -2.527  -7.148   9.706
  565   1HB   ARG  72          2HB       ARG  72  -0.656  -4.917   9.253
  566   2HB   ARG  72          1HB       ARG  72  -0.509  -5.690  10.826
  567   1HG   ARG  72          2HG       ARG  72   0.327  -7.594   9.963
  568   2HG   ARG  72          1HG       ARG  72  -0.686  -7.511   8.520
  569   1HD   ARG  72          2HD       ARG  72   0.970  -5.372   8.166
  570   2HD   ARG  72          1HD       ARG  72   2.034  -6.517   8.982
  571    HE   ARG  72           HE       ARG  72   0.978  -6.725   6.312
  572   1HH1  ARG  72          1HH1      ARG  72   2.335  -8.474   9.011
  573   2HH1  ARG  72          2HH1      ARG  72   2.870  -9.804   8.040
  574   1HH2  ARG  72          1HH2      ARG  72   1.680  -8.477   5.036
  575   2HH2  ARG  72          2HH2      ARG  72   2.499  -9.804   5.786
  576    H    LEU  73           H        LEU  73  -3.127  -7.515  11.796
  577    HA   LEU  73           HA       LEU  73  -4.606  -5.471  13.158
  578   1HB   LEU  73          2HB       LEU  73  -4.318  -8.329  13.304
  579   2HB   LEU  73          1HB       LEU  73  -4.163  -7.637  14.907
  580    HG   LEU  73           HG       LEU  73  -6.373  -6.331  13.919
  581   1HD1  LEU  73          1HD1      LEU  73  -7.821  -8.057  12.979
  582   2HD1  LEU  73          2HD1      LEU  73  -6.468  -9.187  12.966
  583   3HD1  LEU  73          3HD1      LEU  73  -6.427  -7.751  11.943
  584   1HD2  LEU  73          1HD2      LEU  73  -5.729  -7.939  16.054
  585   2HD2  LEU  73          2HD2      LEU  73  -7.027  -8.833  15.263
  586   3HD2  LEU  73          3HD2      LEU  73  -7.290  -7.166  15.776
  587    H    ARG  74           H        ARG  74  -4.158  -4.537  15.156
  588    HA   ARG  74           HA       ARG  74  -1.482  -4.907  16.255
  589   1HB   ARG  74          2HB       ARG  74  -1.787  -2.895  14.550
  590   2HB   ARG  74          1HB       ARG  74  -2.438  -2.100  15.976
  591   1HG   ARG  74          2HG       ARG  74  -0.211  -1.508  16.044
  592   2HG   ARG  74          1HG       ARG  74  -0.259  -2.907  17.119
  593   1HD   ARG  74          2HD       ARG  74   0.924  -4.214  15.695
  594   2HD   ARG  74          1HD       ARG  74   0.233  -3.460  14.263
  595    HE   ARG  74           HE       ARG  74   2.315  -2.152  15.889
  596   1HH1  ARG  74          1HH1      ARG  74   1.018  -3.110  12.783
  597   2HH1  ARG  74          2HH1      ARG  74   2.262  -2.311  11.886
  598   1HH2  ARG  74          1HH2      ARG  74   3.941  -1.107  14.700
  599   2HH2  ARG  74          2HH2      ARG  74   3.919  -1.175  12.970
  600    H    GLY  75           H        GLY  75  -4.456  -5.290  16.971
  601   1HA   GLY  75          2HA       GLY  75  -4.882  -3.566  19.223
  602   2HA   GLY  75          1HA       GLY  75  -5.835  -4.980  18.798
  603    H    GLY  76           H        GLY  76  -3.427  -3.701  20.824
  604   1HA   GLY  76          2HA       GLY  76  -2.055  -4.618  22.450
  605   2HA   GLY  76          1HA       GLY  76  -3.528  -5.490  22.843
  606    H    HIS  77           H        HIS  77  -2.556  -7.401  23.497
  607    HA   HIS  77           HA       HIS  77  -0.897  -8.776  21.498
  608   1HB   HIS  77          2HB       HIS  77  -0.959  -8.766  24.464
  609   2HB   HIS  77          1HB       HIS  77  -0.605 -10.310  23.695
  610    HD1  HIS  77           1HD      HIS  77   0.647  -7.521  21.725
  611    HD2  HIS  77           2HD      HIS  77   2.018  -9.818  24.904
  612    HE1  HIS  77           1HE      HIS  77   3.129  -7.123  21.819
  613    HE2  HIS  77           2HE      HIS  77   3.923  -8.458  23.805
  614    H    HIS  78           H        HIS  78  -1.256 -11.023  21.100
  615    HA   HIS  78           HA       HIS  78  -4.026 -11.675  20.871
  616   1HB   HIS  78          2HB       HIS  78  -3.166 -13.811  19.891
  617   2HB   HIS  78          1HB       HIS  78  -2.534 -12.363  19.117
  618    HD1  HIS  78           1HD      HIS  78  -0.060 -12.210  18.923
  619    HD2  HIS  78           2HD      HIS  78  -1.238 -14.999  21.765
  620    HE1  HIS  78           1HE      HIS  78   2.057 -13.340  19.669
  621    HE2  HIS  78           2HE      HIS  78   1.331 -14.947  21.470
  622    H    HIS  79           H        HIS  79  -5.259 -13.029  22.063
  623    HA   HIS  79           HA       HIS  79  -4.096 -14.029  24.554
  624   1HB   HIS  79          2HB       HIS  79  -6.445 -12.701  24.050
  625   2HB   HIS  79          1HB       HIS  79  -6.988 -14.372  24.153
  626    HD1  HIS  79           1HD      HIS  79  -6.249 -15.639  26.443
  627    HD2  HIS  79           2HD      HIS  79  -6.095 -11.486  26.456
  628    HE1  HIS  79           1HE      HIS  79  -6.207 -14.974  28.870
  629    HE2  HIS  79           2HE      HIS  79  -6.115 -12.456  28.854
  630    H    HIS  80           H        HIS  80  -4.105 -16.160  25.152
  631    HA   HIS  80           HA       HIS  80  -4.582 -18.080  23.000
  632   1HB   HIS  80          2HB       HIS  80  -2.638 -17.842  25.076
  633   2HB   HIS  80          1HB       HIS  80  -3.525 -19.341  25.330
  634    HD1  HIS  80           1HD      HIS  80  -0.909 -17.830  23.267
  635    HD2  HIS  80           2HD      HIS  80  -3.398 -21.151  23.070
  636    HE1  HIS  80           1HE      HIS  80   0.102 -19.324  21.514
  637    HE2  HIS  80           2HE      HIS  80  -1.474 -21.282  21.347
  638    H    HIS  81           H        HIS  81  -6.443 -19.162  22.940
  639    HA   HIS  81           HA       HIS  81  -7.956 -19.511  25.453
  640   1HB   HIS  81          2HB       HIS  81  -8.882 -18.297  23.299
  641   2HB   HIS  81          1HB       HIS  81  -9.205 -19.947  22.775
  642    HD1  HIS  81           1HD      HIS  81 -11.769 -19.528  22.936
  643    HD2  HIS  81           2HD      HIS  81  -9.729 -19.119  26.534
  644    HE1  HIS  81           1HE      HIS  81 -13.544 -19.504  24.717
  645    HE2  HIS  81           2HE      HIS  81 -12.290 -19.229  26.885
  646    H    HIS  82           H        HIS  82  -7.094 -21.402  26.216
  647    HA   HIS  82           HA       HIS  82  -7.025 -23.749  24.480
  648   1HB   HIS  82          2HB       HIS  82  -5.496 -22.898  26.701
  649   2HB   HIS  82          1HB       HIS  82  -6.354 -24.348  27.213
  650    HD1  HIS  82           1HD      HIS  82  -6.256 -26.015  24.664
  651    HD2  HIS  82           2HD      HIS  82  -3.021 -23.849  26.118
  652    HE1  HIS  82           1HE      HIS  82  -4.219 -27.105  23.673
  653    HE2  HIS  82           2HE      HIS  82  -2.277 -25.734  24.511
  Start of MODEL   10
    1   1H    MET   1          1HT       MET   1  -7.556   7.480 -16.309
    2   2H    MET   1          2HT       MET   1  -9.139   6.902 -16.651
    3   3H    MET   1          3HT       MET   1  -7.937   6.906 -17.878
    4    HA   MET   1           HA       MET   1  -8.158   4.719 -17.124
    5   1HB   MET   1          2HB       MET   1  -5.778   6.318 -16.779
    6   2HB   MET   1          1HB       MET   1  -5.777   4.967 -15.654
    7   1HG   MET   1          2HG       MET   1  -5.180   3.578 -17.265
    8   2HG   MET   1          1HG       MET   1  -6.602   4.022 -18.206
    9   1HE   MET   1          1HE       MET   1  -6.855   6.074 -19.360
   10   2HE   MET   1          2HE       MET   1  -5.765   6.291 -20.738
   11   3HE   MET   1          3HE       MET   1  -5.641   7.354 -19.343
   12    H    GLN   2           H        GLN   2  -7.547   3.222 -15.234
   13    HA   GLN   2           HA       GLN   2  -8.022   4.244 -12.588
   14   1HB   GLN   2          2HB       GLN   2 -10.174   2.972 -14.157
   15   2HB   GLN   2          1HB       GLN   2  -9.980   2.365 -12.522
   16   1HG   GLN   2          2HG       GLN   2 -10.050   4.813 -11.799
   17   2HG   GLN   2          1HG       GLN   2 -10.655   5.141 -13.423
   18   1HE2  GLN   2          1HE2      GLN   2 -11.510   4.400 -10.306
   19   2HE2  GLN   2          2HE2      GLN   2 -13.127   3.863 -10.573
   20    H    ILE   3           H        ILE   3  -6.522   3.191 -11.486
   21    HA   ILE   3           HA       ILE   3  -5.452   0.680 -12.290
   22    HB   ILE   3           HB       ILE   3  -4.265   0.798 -10.045
   23   1HG1  ILE   3          2HG1      ILE   3  -5.438   3.584  -9.949
   24   2HG1  ILE   3          1HG1      ILE   3  -6.097   2.239  -9.017
   25   1HG2  ILE   3          1HG2      ILE   3  -4.084   2.934 -12.139
   26   2HG2  ILE   3          2HG2      ILE   3  -3.025   1.548 -11.858
   27   3HG2  ILE   3          3HG2      ILE   3  -2.987   2.921 -10.753
   28   1HD1  ILE   3          1HD1      ILE   3  -4.179   2.088  -7.681
   29   2HD1  ILE   3          2HD1      ILE   3  -4.488   3.813  -7.831
   30   3HD1  ILE   3          3HD1      ILE   3  -3.218   3.056  -8.794
   31    H    PHE   4           H        PHE   4  -5.213  -1.105 -10.635
   32    HA   PHE   4           HA       PHE   4  -7.867  -1.669  -9.448
   33   1HB   PHE   4          2HB       PHE   4  -5.968  -3.317 -11.001
   34   2HB   PHE   4          1HB       PHE   4  -6.717  -4.124  -9.627
   35    HD1  PHE   4           1HD      PHE   4  -6.995  -3.514 -13.021
   36    HD2  PHE   4           2HD      PHE   4  -9.366  -3.666  -9.488
   37    HE1  PHE   4           1HE      PHE   4  -8.999  -3.927 -14.384
   38    HE2  PHE   4           2HE      PHE   4 -11.378  -4.087 -10.853
   39    HZ   PHE   4           HZ       PHE   4 -11.187  -4.208 -13.310
   40    H    VAL   5           H        VAL   5  -7.911  -2.893  -7.465
   41    HA   VAL   5           HA       VAL   5  -5.416  -2.932  -5.934
   42    HB   VAL   5           HB       VAL   5  -7.940  -1.720  -4.829
   43   1HG1  VAL   5          1HG1      VAL   5  -6.267  -2.863  -3.278
   44   2HG1  VAL   5          2HG1      VAL   5  -6.701  -1.199  -2.900
   45   3HG1  VAL   5          3HG1      VAL   5  -5.160  -1.553  -3.687
   46   1HG2  VAL   5          1HG2      VAL   5  -7.408   0.122  -5.942
   47   2HG2  VAL   5          2HG2      VAL   5  -5.874  -0.555  -6.476
   48   3HG2  VAL   5          3HG2      VAL   5  -5.984   0.242  -4.910
   49    H    LYS   6           H        LYS   6  -5.190  -4.868  -5.058
   50    HA   LYS   6           HA       LYS   6  -7.505  -6.604  -4.757
   51   1HB   LYS   6          2HB       LYS   6  -5.115  -7.222  -5.704
   52   2HB   LYS   6          1HB       LYS   6  -4.734  -7.432  -4.002
   53   1HG   LYS   6          2HG       LYS   6  -7.199  -8.749  -4.562
   54   2HG   LYS   6          1HG       LYS   6  -5.998  -9.246  -5.751
   55   1HD   LYS   6          2HD       LYS   6  -4.835  -9.180  -3.114
   56   2HD   LYS   6          1HD       LYS   6  -6.295 -10.185  -3.127
   57   1HE   LYS   6          2HE       LYS   6  -3.876 -10.463  -4.916
   58   2HE   LYS   6          1HE       LYS   6  -4.392 -11.564  -3.635
   59   1HZ   LYS   6          1HZ       LYS   6  -5.149 -12.554  -5.557
   60   2HZ   LYS   6          2HZ       LYS   6  -5.635 -11.102  -6.268
   61   3HZ   LYS   6          3HZ       LYS   6  -6.522 -11.756  -4.991
   62    H    THR   7           H        THR   7  -8.520  -6.902  -2.899
   63    HA   THR   7           HA       THR   7  -7.426  -5.777  -0.449
   64    HB   THR   7           HB       THR   7  -9.817  -6.667   0.338
   65    HG1  THR   7           1HG      THR   7 -11.262  -6.536  -1.400
   66   1HG2  THR   7          1HG2      THR   7  -9.364  -4.348   0.449
   67   2HG2  THR   7          2HG2      THR   7 -10.838  -4.532  -0.504
   68   3HG2  THR   7          3HG2      THR   7  -9.304  -4.207  -1.309
   69    H    LEU   8           H        LEU   8  -8.392  -7.246   1.558
   70    HA   LEU   8           HA       LEU   8  -6.710  -9.577   1.505
   71   1HB   LEU   8          2HB       LEU   8  -7.260  -9.828   3.823
   72   2HB   LEU   8          1HB       LEU   8  -6.978  -8.128   3.511
   73    HG   LEU   8           HG       LEU   8  -9.753  -8.583   3.163
   74   1HD1  LEU   8          1HD1      LEU   8  -9.052  -9.429   5.927
   75   2HD1  LEU   8          2HD1      LEU   8  -8.986 -10.635   4.638
   76   3HD1  LEU   8          3HD1      LEU   8 -10.487  -9.774   4.960
   77   1HD2  LEU   8          1HD2      LEU   8  -9.083  -7.358   5.681
   78   2HD2  LEU   8          2HD2      LEU   8  -9.749  -6.623   4.215
   79   3HD2  LEU   8          3HD2      LEU   8  -8.001  -6.783   4.409
   80    H    THR   9           H        THR   9  -9.988  -8.943   0.825
   81    HA   THR   9           HA       THR   9 -10.811 -11.690   1.264
   82    HB   THR   9           HB       THR   9 -12.911 -10.478  -0.056
   83    HG1  THR   9           1HG      THR   9 -12.531  -8.416   0.019
   84   1HG2  THR   9          1HG2      THR   9 -14.046 -10.426   1.975
   85   2HG2  THR   9          2HG2      THR   9 -12.570 -10.155   2.903
   86   3HG2  THR   9          3HG2      THR   9 -12.872 -11.729   2.162
   87    H    GLY  10           H        GLY  10  -9.467  -9.831  -1.280
   88   1HA   GLY  10          2HA       GLY  10  -8.652 -10.966  -3.249
   89   2HA   GLY  10          1HA       GLY  10 -10.054 -12.027  -3.158
   90    H    ALA  11           H        ALA  11 -10.985  -8.922  -2.468
   91    HA   ALA  11           HA       ALA  11 -12.272  -8.634  -5.044
   92   1HB   ALA  11          1HB       ALA  11 -13.655  -6.975  -4.033
   93   2HB   ALA  11          2HB       ALA  11 -12.587  -6.846  -2.634
   94   3HB   ALA  11          3HB       ALA  11 -13.509  -8.327  -2.911
   95    H    THR  12           H        THR  12 -11.393  -7.538  -6.667
   96    HA   THR  12           HA       THR  12  -9.269  -5.610  -6.193
   97    HB   THR  12           HB       THR  12  -8.955  -5.604  -8.564
   98    HG1  THR  12           1HG      THR  12 -11.172  -7.171  -9.146
   99   1HG2  THR  12          1HG2      THR  12  -8.038  -7.620  -8.137
  100   2HG2  THR  12          2HG2      THR  12  -9.384  -8.159  -9.143
  101   3HG2  THR  12          3HG2      THR  12  -9.503  -8.255  -7.387
  102    H    ILE  13           H        ILE  13  -9.493  -3.423  -6.232
  103    HA   ILE  13           HA       ILE  13 -12.151  -2.373  -6.967
  104    HB   ILE  13           HB       ILE  13 -11.812  -0.602  -5.263
  105   1HG1  ILE  13          2HG1      ILE  13 -10.031  -1.700  -3.477
  106   2HG1  ILE  13          1HG1      ILE  13  -9.237  -1.961  -5.036
  107   1HG2  ILE  13          1HG2      ILE  13 -12.477  -3.333  -4.879
  108   2HG2  ILE  13          2HG2      ILE  13 -13.107  -1.911  -4.042
  109   3HG2  ILE  13          3HG2      ILE  13 -11.676  -2.738  -3.425
  110   1HD1  ILE  13          1HD1      ILE  13  -9.625   0.472  -3.516
  111   2HD1  ILE  13          2HD1      ILE  13 -10.134   0.629  -5.195
  112   3HD1  ILE  13          3HD1      ILE  13  -8.490   0.124  -4.816
  113    H    THR  14           H        THR  14 -12.273  -0.323  -7.843
  114    HA   THR  14           HA       THR  14  -9.864   0.494  -9.302
  115    HB   THR  14           HB       THR  14 -11.460   1.808 -10.699
  116    HG1  THR  14           1HG      THR  14 -13.538   1.830 -10.254
  117   1HG2  THR  14          1HG2      THR  14 -11.687  -1.142 -10.422
  118   2HG2  THR  14          2HG2      THR  14 -11.085  -0.172 -11.768
  119   3HG2  THR  14          3HG2      THR  14 -12.820  -0.294 -11.477
  120    H    LEU  15           H        LEU  15  -8.817   2.362  -8.799
  121    HA   LEU  15           HA       LEU  15 -10.309   4.415  -7.338
  122   1HB   LEU  15          2HB       LEU  15  -8.392   2.700  -6.177
  123   2HB   LEU  15          1HB       LEU  15  -7.647   4.288  -6.292
  124    HG   LEU  15           HG       LEU  15 -10.400   4.064  -5.139
  125   1HD1  LEU  15          1HD1      LEU  15  -8.547   3.967  -3.002
  126   2HD1  LEU  15          2HD1      LEU  15  -8.146   2.654  -4.101
  127   3HD1  LEU  15          3HD1      LEU  15  -9.771   2.778  -3.440
  128   1HD2  LEU  15          1HD2      LEU  15 -10.015   6.215  -4.777
  129   2HD2  LEU  15          2HD2      LEU  15  -8.386   6.061  -5.432
  130   3HD2  LEU  15          3HD2      LEU  15  -8.677   5.781  -3.714
  131    H    GLU  16           H        GLU  16  -9.208   6.487  -7.211
  132    HA   GLU  16           HA       GLU  16  -7.531   6.989  -9.594
  133   1HB   GLU  16          2HB       GLU  16  -9.992   8.104  -8.920
  134   2HB   GLU  16          1HB       GLU  16  -8.826   9.343  -8.486
  135   1HG   GLU  16          2HG       GLU  16  -7.955   8.511 -10.958
  136   2HG   GLU  16          1HG       GLU  16  -9.716   8.466 -11.100
  137    H    VAL  17           H        VAL  17  -5.548   7.889  -9.289
  138    HA   VAL  17           HA       VAL  17  -4.802   8.597  -6.546
  139    HB   VAL  17           HB       VAL  17  -2.467   8.509  -7.415
  140   1HG1  VAL  17          1HG1      VAL  17  -4.322   6.340  -7.054
  141   2HG1  VAL  17          2HG1      VAL  17  -2.625   6.446  -6.578
  142   3HG1  VAL  17          3HG1      VAL  17  -3.060   5.879  -8.196
  143   1HG2  VAL  17          1HG2      VAL  17  -2.624   7.058  -9.717
  144   2HG2  VAL  17          2HG2      VAL  17  -2.263   8.780  -9.623
  145   3HG2  VAL  17          3HG2      VAL  17  -3.911   8.243  -9.939
  146    H    GLU  18           H        GLU  18  -4.009  10.543  -5.954
  147    HA   GLU  18           HA       GLU  18  -3.960  12.685  -7.982
  148   1HB   GLU  18          2HB       GLU  18  -5.903  12.833  -6.452
  149   2HB   GLU  18          1HB       GLU  18  -4.788  12.936  -5.086
  150   1HG   GLU  18          2HG       GLU  18  -5.244  15.144  -5.426
  151   2HG   GLU  18          1HG       GLU  18  -3.815  14.964  -6.437
  152    H    SER  19           H        SER  19  -2.549  14.486  -7.518
  153    HA   SER  19           HA       SER  19   0.029  13.617  -6.648
  154   1HB   SER  19          2HB       SER  19   0.750  15.891  -7.111
  155   2HB   SER  19          1HB       SER  19  -0.322  15.342  -8.406
  156    HG   SER  19           HG       SER  19  -1.772  16.752  -7.830
  157    H    SER  20           H        SER  20  -2.600  15.457  -5.303
  158    HA   SER  20           HA       SER  20  -1.147  16.130  -2.875
  159   1HB   SER  20          2HB       SER  20  -3.187  17.272  -2.186
  160   2HB   SER  20          1HB       SER  20  -2.779  17.717  -3.843
  161    HG   SER  20           HG       SER  20  -4.993  16.483  -2.878
  162    H    ASP  21           H        ASP  21  -2.368  13.322  -3.888
  163    HA   ASP  21           HA       ASP  21  -3.850  12.546  -1.544
  164   1HB   ASP  21          2HB       ASP  21  -3.997  11.644  -4.030
  165   2HB   ASP  21          1HB       ASP  21  -2.753  10.542  -3.468
  166    H    THR  22           H        THR  22  -2.871  12.152   0.338
  167    HA   THR  22           HA       THR  22  -0.252  10.810   0.276
  168    HB   THR  22           HB       THR  22  -1.153  12.670   2.458
  169    HG1  THR  22           1HG      THR  22   0.748  13.741   0.925
  170   1HG2  THR  22          1HG2      THR  22   1.067  12.739   3.177
  171   2HG2  THR  22          2HG2      THR  22   1.666  12.014   1.683
  172   3HG2  THR  22          3HG2      THR  22   0.764  11.040   2.836
  173    H    ILE  23           H        ILE  23   0.216   9.858   2.551
  174    HA   ILE  23           HA       ILE  23  -1.607   7.747   2.952
  175    HB   ILE  23           HB       ILE  23   0.804   7.561   3.451
  176   1HG1  ILE  23          2HG1      ILE  23   0.262   6.694   5.984
  177   2HG1  ILE  23          1HG1      ILE  23  -1.347   6.752   5.276
  178   1HG2  ILE  23          1HG2      ILE  23   1.431   8.422   5.827
  179   2HG2  ILE  23          2HG2      ILE  23   0.125   9.571   5.546
  180   3HG2  ILE  23          3HG2      ILE  23   1.501   9.511   4.444
  181   1HD1  ILE  23          1HD1      ILE  23   0.975   5.048   4.586
  182   2HD1  ILE  23          2HD1      ILE  23  -0.177   5.448   3.317
  183   3HD1  ILE  23          3HD1      ILE  23  -0.719   4.613   4.774
  184    H    ASP  24           H        ASP  24  -1.423  10.916   4.313
  185    HA   ASP  24           HA       ASP  24  -3.006  10.287   6.642
  186   1HB   ASP  24          2HB       ASP  24  -2.064  12.907   5.463
  187   2HB   ASP  24          1HB       ASP  24  -3.034  12.787   6.932
  188    H    ASN  25           H        ASN  25  -3.513  11.916   3.536
  189    HA   ASN  25           HA       ASN  25  -6.138  12.756   3.930
  190   1HB   ASN  25          2HB       ASN  25  -4.581  11.998   1.472
  191   2HB   ASN  25          1HB       ASN  25  -6.272  12.468   1.361
  192   1HD2  ASN  25          1HD2      ASN  25  -6.763  14.567   2.627
  193   2HD2  ASN  25          2HD2      ASN  25  -5.650  15.853   2.372
  194    H    VAL  26           H        VAL  26  -4.911   9.628   2.914
  195    HA   VAL  26           HA       VAL  26  -7.369   8.462   2.188
  196    HB   VAL  26           HB       VAL  26  -5.068   6.942   3.424
  197   1HG1  VAL  26          1HG1      VAL  26  -6.362   5.784   1.122
  198   2HG1  VAL  26          2HG1      VAL  26  -7.523   6.143   2.402
  199   3HG1  VAL  26          3HG1      VAL  26  -6.125   5.113   2.737
  200   1HG2  VAL  26          1HG2      VAL  26  -4.291   6.724   0.983
  201   2HG2  VAL  26          2HG2      VAL  26  -3.962   8.252   1.805
  202   3HG2  VAL  26          3HG2      VAL  26  -5.303   8.134   0.668
  203    H    LYS  27           H        LYS  27  -5.599   8.500   5.252
  204    HA   LYS  27           HA       LYS  27  -7.326   6.865   6.726
  205   1HB   LYS  27          2HB       LYS  27  -4.999   8.362   7.221
  206   2HB   LYS  27          1HB       LYS  27  -6.192   8.925   8.387
  207   1HG   LYS  27          2HG       LYS  27  -5.943   6.001   8.035
  208   2HG   LYS  27          1HG       LYS  27  -4.607   6.834   8.829
  209   1HD   LYS  27          2HD       LYS  27  -7.478   7.191   9.649
  210   2HD   LYS  27          1HD       LYS  27  -6.429   5.953  10.346
  211   1HE   LYS  27          2HE       LYS  27  -5.752   7.477  11.814
  212   2HE   LYS  27          1HE       LYS  27  -4.933   8.306  10.485
  213   1HZ   LYS  27          1HZ       LYS  27  -6.497   9.696  11.848
  214   2HZ   LYS  27          2HZ       LYS  27  -7.777   8.806  11.190
  215   3HZ   LYS  27          3HZ       LYS  27  -6.786   9.732  10.178
  216    H    SER  28           H        SER  28  -7.266  10.418   6.442
  217    HA   SER  28           HA       SER  28  -9.378  10.968   8.176
  218   1HB   SER  28          2HB       SER  28  -8.509  12.457   5.694
  219   2HB   SER  28          1HB       SER  28  -9.614  13.100   6.904
  220    HG   SER  28           HG       SER  28  -7.633  12.365   8.336
  221    H    LYS  29           H        LYS  29  -9.443  10.130   4.760
  222    HA   LYS  29           HA       LYS  29 -12.115  10.683   4.225
  223   1HB   LYS  29          2HB       LYS  29 -10.087   8.879   3.012
  224   2HB   LYS  29          1HB       LYS  29 -11.765   8.701   2.519
  225   1HG   LYS  29          2HG       LYS  29 -10.256  11.308   2.418
  226   2HG   LYS  29          1HG       LYS  29 -10.403  10.187   1.059
  227   1HD   LYS  29          2HD       LYS  29 -12.139  11.624   0.633
  228   2HD   LYS  29          1HD       LYS  29 -12.959  10.370   1.562
  229   1HE   LYS  29          2HE       LYS  29 -12.314  11.892   3.595
  230   2HE   LYS  29          1HE       LYS  29 -12.203  13.150   2.367
  231   1HZ   LYS  29          1HZ       LYS  29 -14.394  13.087   3.337
  232   2HZ   LYS  29          2HZ       LYS  29 -14.588  11.462   2.922
  233   3HZ   LYS  29          3HZ       LYS  29 -14.484  12.642   1.708
  234    H    ILE  30           H        ILE  30 -11.210   8.603   6.595
  235    HA   ILE  30           HA       ILE  30 -13.159   6.543   6.030
  236    HB   ILE  30           HB       ILE  30 -12.570   5.657   8.241
  237   1HG1  ILE  30          2HG1      ILE  30 -10.319   7.273   8.905
  238   2HG1  ILE  30          1HG1      ILE  30 -11.701   8.339   8.693
  239   1HG2  ILE  30          1HG2      ILE  30 -10.920   4.627   7.190
  240   2HG2  ILE  30          2HG2      ILE  30  -9.859   6.000   7.516
  241   3HG2  ILE  30          3HG2      ILE  30 -10.811   5.954   6.031
  242   1HD1  ILE  30          1HD1      ILE  30 -11.728   7.789  10.951
  243   2HD1  ILE  30          2HD1      ILE  30 -11.342   6.100  10.637
  244   3HD1  ILE  30          3HD1      ILE  30 -12.944   6.723  10.238
  245    H    GLN  31           H        GLN  31 -14.141   9.247   6.076
  246    HA   GLN  31           HA       GLN  31 -15.731   9.300   8.547
  247   1HB   GLN  31          2HB       GLN  31 -14.535  11.319   6.898
  248   2HB   GLN  31          1HB       GLN  31 -16.281  11.589   6.981
  249   1HG   GLN  31          2HG       GLN  31 -16.057  12.491   8.981
  250   2HG   GLN  31          1HG       GLN  31 -15.367  10.978   9.587
  251   1HE2  GLN  31          1HE2      GLN  31 -13.328  10.976  10.224
  252   2HE2  GLN  31          2HE2      GLN  31 -12.174  12.228   9.935
  253    H    ALA  32           H        ALA  32 -16.070   7.746   5.833
  254    HA   ALA  32           HA       ALA  32 -18.897   8.473   5.419
  255   1HB   ALA  32          1HB       ALA  32 -17.099   6.999   3.499
  256   2HB   ALA  32          2HB       ALA  32 -17.438   8.729   3.448
  257   3HB   ALA  32          3HB       ALA  32 -18.742   7.572   3.200
  258    H    ALA  33           H        ALA  33 -16.841   6.066   6.647
  259    HA   ALA  33           HA       ALA  33 -18.957   4.425   7.476
  260   1HB   ALA  33          1HB       ALA  33 -18.010   2.396   6.046
  261   2HB   ALA  33          2HB       ALA  33 -17.689   3.697   4.899
  262   3HB   ALA  33          3HB       ALA  33 -19.329   3.419   5.479
  263    HA   PRO  34           HA       PRO  34 -15.206   3.493   9.804
  264   1HB   PRO  34          2HB       PRO  34 -16.311   3.292  12.204
  265   2HB   PRO  34          1HB       PRO  34 -16.182   4.863  11.403
  266   1HG   PRO  34          2HG       PRO  34 -18.558   3.083  11.730
  267   2HG   PRO  34          1HG       PRO  34 -18.471   4.859  11.777
  268   1HD   PRO  34          2HD       PRO  34 -19.225   3.294   9.570
  269   2HD   PRO  34          1HD       PRO  34 -18.790   5.015   9.532
  270    H    GLY  35           H        GLY  35 -15.380   1.792  12.015
  271   1HA   GLY  35          2HA       GLY  35 -16.056  -0.407  12.649
  272   2HA   GLY  35          1HA       GLY  35 -16.479  -0.726  10.971
  273    H    ILE  36           H        ILE  36 -14.018   0.413   9.958
  274    HA   ILE  36           HA       ILE  36 -12.200  -1.810  10.633
  275    HB   ILE  36           HB       ILE  36 -11.171  -1.332   8.387
  276   1HG1  ILE  36          2HG1      ILE  36 -13.601  -0.117   7.322
  277   2HG1  ILE  36          1HG1      ILE  36 -12.798   0.928   8.487
  278   1HG2  ILE  36          1HG2      ILE  36 -14.070  -2.162   8.395
  279   2HG2  ILE  36          2HG2      ILE  36 -12.710  -3.204   8.796
  280   3HG2  ILE  36          3HG2      ILE  36 -12.878  -2.569   7.160
  281   1HD1  ILE  36          1HD1      ILE  36 -10.686   0.577   7.174
  282   2HD1  ILE  36          2HD1      ILE  36 -11.954   1.499   6.364
  283   3HD1  ILE  36          3HD1      ILE  36 -11.682  -0.193   5.936
  284    HA   PRO  37           HA       PRO  37  -9.175   1.107  12.042
  285   1HB   PRO  37          2HB       PRO  37  -6.885  -0.248  11.623
  286   2HB   PRO  37          1HB       PRO  37  -8.045  -0.724  12.875
  287   1HG   PRO  37          2HG       PRO  37  -7.646  -1.875  10.143
  288   2HG   PRO  37          1HG       PRO  37  -7.923  -2.711  11.688
  289   1HD   PRO  37          2HD       PRO  37  -9.878  -2.274   9.842
  290   2HD   PRO  37          1HD       PRO  37 -10.191  -2.403  11.582
  291    HA   PRO  38           HA       PRO  38  -8.443   2.981   7.907
  292   1HB   PRO  38          2HB       PRO  38  -7.928   5.308   9.682
  293   2HB   PRO  38          1HB       PRO  38  -8.942   5.199   8.248
  294   1HG   PRO  38          2HG       PRO  38 -10.026   5.315  10.670
  295   2HG   PRO  38          1HG       PRO  38 -10.722   4.274   9.418
  296   1HD   PRO  38          2HD       PRO  38  -9.008   3.542  11.758
  297   2HD   PRO  38          1HD       PRO  38 -10.406   2.696  11.088
  298    H    ASP  39           H        ASP  39  -6.543   3.298  10.861
  299    HA   ASP  39           HA       ASP  39  -4.140   4.070   9.499
  300   1HB   ASP  39          2HB       ASP  39  -4.707   4.760  11.862
  301   2HB   ASP  39          1HB       ASP  39  -4.428   3.093  12.350
  302    H    GLN  40           H        GLN  40  -5.781   1.222   9.765
  303    HA   GLN  40           HA       GLN  40  -3.423  -0.492   9.940
  304   1HB   GLN  40          2HB       GLN  40  -6.275  -0.830  10.394
  305   2HB   GLN  40          1HB       GLN  40  -5.612  -2.122   9.420
  306   1HG   GLN  40          2HG       GLN  40  -5.540  -2.768  11.716
  307   2HG   GLN  40          1HG       GLN  40  -3.891  -2.481  11.168
  308   1HE2  GLN  40          1HE2      GLN  40  -6.184  -1.768  13.527
  309   2HE2  GLN  40          2HE2      GLN  40  -5.386  -0.429  14.265
  310    H    GLN  41           H        GLN  41  -4.478   1.336   7.607
  311    HA   GLN  41           HA       GLN  41  -4.353  -0.744   5.519
  312   1HB   GLN  41          2HB       GLN  41  -5.346   2.108   5.302
  313   2HB   GLN  41          1HB       GLN  41  -5.375   0.908   4.014
  314   1HG   GLN  41          2HG       GLN  41  -6.961  -0.430   5.239
  315   2HG   GLN  41          1HG       GLN  41  -6.848   0.659   6.623
  316   1HE2  GLN  41          1HE2      GLN  41  -6.923   3.101   5.406
  317   2HE2  GLN  41          2HE2      GLN  41  -8.465   3.339   4.661
  318    H    GLU  42           H        GLU  42  -2.669  -0.841   4.214
  319    HA   GLU  42           HA       GLU  42  -1.001   1.454   3.657
  320   1HB   GLU  42          2HB       GLU  42  -0.246   0.127   5.836
  321   2HB   GLU  42          1HB       GLU  42   0.517  -0.906   4.638
  322   1HG   GLU  42          2HG       GLU  42   1.392   1.383   3.704
  323   2HG   GLU  42          1HG       GLU  42   1.102   1.911   5.364
  324    H    LEU  43           H        LEU  43   0.560   1.054   1.928
  325    HA   LEU  43           HA       LEU  43  -0.367  -1.063   0.117
  326   1HB   LEU  43          2HB       LEU  43   1.563   1.217  -0.362
  327   2HB   LEU  43          1HB       LEU  43   0.964   0.107  -1.588
  328    HG   LEU  43           HG       LEU  43  -0.980   1.777  -0.040
  329   1HD1  LEU  43          1HD1      LEU  43   0.210   3.583  -0.730
  330   2HD1  LEU  43          2HD1      LEU  43  -0.681   3.267  -2.222
  331   3HD1  LEU  43          3HD1      LEU  43   0.977   2.701  -2.053
  332   1HD2  LEU  43          1HD2      LEU  43  -1.369   1.383  -2.884
  333   2HD2  LEU  43          2HD2      LEU  43  -2.437   1.018  -1.530
  334   3HD2  LEU  43          3HD2      LEU  43  -1.195  -0.139  -2.013
  335    H    ILE  44           H        ILE  44   0.937  -2.791  -0.465
  336    HA   ILE  44           HA       ILE  44   3.719  -2.756   0.397
  337    HB   ILE  44           HB       ILE  44   1.949  -5.062   1.169
  338   1HG1  ILE  44          2HG1      ILE  44   3.045  -3.055   3.113
  339   2HG1  ILE  44          1HG1      ILE  44   1.500  -2.771   2.330
  340   1HG2  ILE  44          1HG2      ILE  44   4.729  -4.266   2.037
  341   2HG2  ILE  44          2HG2      ILE  44   4.346  -5.525   0.860
  342   3HG2  ILE  44          3HG2      ILE  44   3.847  -5.709   2.540
  343   1HD1  ILE  44          1HD1      ILE  44   1.044  -5.230   3.227
  344   2HD1  ILE  44          2HD1      ILE  44   0.763  -3.788   4.201
  345   3HD1  ILE  44          3HD1      ILE  44   2.244  -4.720   4.414
  346    H    PHE  45           H        PHE  45   5.033  -3.710  -1.038
  347    HA   PHE  45           HA       PHE  45   3.847  -5.093  -3.294
  348   1HB   PHE  45          2HB       PHE  45   6.173  -3.502  -2.902
  349   2HB   PHE  45          1HB       PHE  45   6.692  -5.096  -3.455
  350    HD1  PHE  45           1HD      PHE  45   5.944  -5.954  -5.631
  351    HD2  PHE  45           2HD      PHE  45   5.003  -2.018  -4.332
  352    HE1  PHE  45           1HE      PHE  45   5.361  -5.338  -7.945
  353    HE2  PHE  45           2HE      PHE  45   4.424  -1.386  -6.632
  354    HZ   PHE  45           HZ       PHE  45   4.612  -3.041  -8.449
  355    H    ALA  46           H        ALA  46   4.063  -6.242  -0.507
  356    HA   ALA  46           HA       ALA  46   4.310  -8.322   0.405
  357   1HB   ALA  46          1HB       ALA  46   4.145 -10.137  -0.972
  358   2HB   ALA  46          2HB       ALA  46   5.463  -9.593  -2.006
  359   3HB   ALA  46          3HB       ALA  46   3.846  -8.911  -2.205
  360    H    GLY  47           H        GLY  47   6.898  -7.803  -1.982
  361   1HA   GLY  47          2HA       GLY  47   8.888  -8.480   0.087
  362   2HA   GLY  47          1HA       GLY  47   9.153  -8.571  -1.652
  363    H    LYS  48           H        LYS  48   7.469  -5.835  -1.480
  364    HA   LYS  48           HA       LYS  48   9.809  -4.169  -0.775
  365   1HB   LYS  48          2HB       LYS  48   8.792  -4.506  -3.334
  366   2HB   LYS  48          1HB       LYS  48   8.064  -2.995  -2.796
  367   1HG   LYS  48          2HG       LYS  48   9.989  -2.206  -3.724
  368   2HG   LYS  48          1HG       LYS  48  10.547  -2.458  -2.066
  369   1HD   LYS  48          2HD       LYS  48  11.112  -4.867  -3.002
  370   2HD   LYS  48          1HD       LYS  48  11.140  -4.006  -4.543
  371   1HE   LYS  48          2HE       LYS  48  13.230  -3.415  -4.082
  372   2HE   LYS  48          1HE       LYS  48  12.589  -2.396  -2.795
  373   1HZ   LYS  48          1HZ       LYS  48  14.220  -4.656  -2.562
  374   2HZ   LYS  48          2HZ       LYS  48  12.727  -5.037  -1.865
  375   3HZ   LYS  48          3HZ       LYS  48  13.595  -3.691  -1.318
  376    H    GLN  49           H        GLN  49   9.238  -3.127   1.053
  377    HA   GLN  49           HA       GLN  49   6.457  -2.459   1.535
  378   1HB   GLN  49          2HB       GLN  49   7.952  -3.414   3.291
  379   2HB   GLN  49          1HB       GLN  49   8.866  -1.908   3.268
  380   1HG   GLN  49          2HG       GLN  49   7.267  -0.771   4.402
  381   2HG   GLN  49          1HG       GLN  49   5.950  -1.690   3.680
  382   1HE2  GLN  49          1HE2      GLN  49   8.539  -1.861   6.077
  383   2HE2  GLN  49          2HE2      GLN  49   7.751  -3.009   7.097
  384    H    LEU  50           H        LEU  50   5.551  -0.506   1.327
  385    HA   LEU  50           HA       LEU  50   7.086   1.604   0.118
  386   1HB   LEU  50          2HB       LEU  50   4.297   0.896   0.431
  387   2HB   LEU  50          1HB       LEU  50   4.566   2.607   0.722
  388    HG   LEU  50           HG       LEU  50   3.972   2.023  -1.641
  389   1HD1  LEU  50          1HD1      LEU  50   6.718   3.176  -1.693
  390   2HD1  LEU  50          2HD1      LEU  50   5.468   4.013  -0.772
  391   3HD1  LEU  50          3HD1      LEU  50   5.244   3.720  -2.494
  392   1HD2  LEU  50          1HD2      LEU  50   6.735   0.828  -1.652
  393   2HD2  LEU  50          2HD2      LEU  50   5.696   1.063  -3.056
  394   3HD2  LEU  50          3HD2      LEU  50   5.223  -0.071  -1.788
  395    H    GLU  51           H        GLU  51   6.871   3.855   0.842
  396    HA   GLU  51           HA       GLU  51   7.327   4.030   3.742
  397   1HB   GLU  51          2HB       GLU  51   8.567   5.223   1.458
  398   2HB   GLU  51          1HB       GLU  51   7.884   6.500   2.449
  399   1HG   GLU  51          2HG       GLU  51   9.114   5.684   4.382
  400   2HG   GLU  51          1HG       GLU  51   9.774   4.366   3.410
  401    H    ASP  52           H        ASP  52   5.754   4.767   4.988
  402    HA   ASP  52           HA       ASP  52   3.320   5.800   3.974
  403   1HB   ASP  52          2HB       ASP  52   4.484   5.346   6.672
  404   2HB   ASP  52          1HB       ASP  52   3.137   6.481   6.558
  405    H    GLY  53           H        GLY  53   6.225   7.337   5.171
  406   1HA   GLY  53          2HA       GLY  53   5.054   9.955   5.408
  407   2HA   GLY  53          1HA       GLY  53   6.776   9.569   5.460
  408    H    ARG  54           H        ARG  54   5.460   8.170   2.733
  409    HA   ARG  54           HA       ARG  54   6.501  10.347   1.078
  410   1HB   ARG  54          2HB       ARG  54   6.228   7.398   0.738
  411   2HB   ARG  54          1HB       ARG  54   6.184   8.404  -0.705
  412   1HG   ARG  54          2HG       ARG  54   8.371   9.265   0.891
  413   2HG   ARG  54          1HG       ARG  54   8.437   7.501   0.762
  414   1HD   ARG  54          2HD       ARG  54   9.206   7.675  -1.312
  415   2HD   ARG  54          1HD       ARG  54   7.752   8.549  -1.783
  416    HE   ARG  54           HE       ARG  54   9.228  10.485  -0.653
  417   1HH1  ARG  54          1HH1      ARG  54  10.023   8.089  -3.077
  418   2HH1  ARG  54          2HH1      ARG  54  11.197   9.096  -3.861
  419   1HH2  ARG  54          1HH2      ARG  54  10.758  11.796  -1.690
  420   2HH2  ARG  54          2HH2      ARG  54  11.610  11.192  -3.069
  421    H    THR  55           H        THR  55   5.330  11.292  -0.569
  422    HA   THR  55           HA       THR  55   2.460  11.131  -0.280
  423    HB   THR  55           HB       THR  55   3.922  12.832  -2.277
  424    HG1  THR  55           1HG      THR  55   3.595  13.235   0.504
  425   1HG2  THR  55          1HG2      THR  55   1.385  13.291  -0.727
  426   2HG2  THR  55          2HG2      THR  55   1.488  12.842  -2.426
  427   3HG2  THR  55          3HG2      THR  55   2.114  14.403  -1.888
  428    H    LEU  56           H        LEU  56   1.166  11.337  -2.476
  429    HA   LEU  56           HA       LEU  56   1.461   8.858  -3.793
  430   1HB   LEU  56          2HB       LEU  56  -0.569  10.645  -3.603
  431   2HB   LEU  56          1HB       LEU  56  -0.007  10.976  -5.227
  432    HG   LEU  56           HG       LEU  56  -0.839   8.251  -4.229
  433   1HD1  LEU  56          1HD1      LEU  56  -2.328  10.441  -5.578
  434   2HD1  LEU  56          2HD1      LEU  56  -2.874   9.276  -4.378
  435   3HD1  LEU  56          3HD1      LEU  56  -2.669   8.782  -6.054
  436   1HD2  LEU  56          1HD2      LEU  56   0.416   9.271  -6.700
  437   2HD2  LEU  56          2HD2      LEU  56  -0.907   8.120  -6.915
  438   3HD2  LEU  56          3HD2      LEU  56   0.501   7.673  -5.949
  439    H    SER  57           H        SER  57   2.035  12.183  -4.944
  440    HA   SER  57           HA       SER  57   3.024  11.585  -7.472
  441   1HB   SER  57          2HB       SER  57   2.700  13.888  -5.957
  442   2HB   SER  57          1HB       SER  57   4.435  13.814  -6.225
  443    HG   SER  57           HG       SER  57   4.088  13.824  -8.419
  444    H    ASP  58           H        ASP  58   4.521  11.372  -4.366
  445    HA   ASP  58           HA       ASP  58   7.233  11.196  -5.202
  446   1HB   ASP  58          2HB       ASP  58   5.856  10.181  -2.707
  447   2HB   ASP  58          1HB       ASP  58   7.600  10.149  -2.945
  448    H    TYR  59           H        TYR  59   4.598   8.992  -5.236
  449    HA   TYR  59           HA       TYR  59   6.335   6.920  -6.356
  450   1HB   TYR  59          2HB       TYR  59   4.687   6.698  -3.899
  451   2HB   TYR  59          1HB       TYR  59   4.625   5.327  -5.013
  452    HD1  TYR  59           1HD      TYR  59   6.373   6.801  -2.329
  453    HD2  TYR  59           2HD      TYR  59   6.935   4.413  -5.804
  454    HE1  TYR  59           1HE      TYR  59   8.492   5.955  -1.400
  455    HE2  TYR  59           2HE      TYR  59   9.052   3.564  -4.887
  456    HH   TYR  59           HH       TYR  59  10.787   4.852  -2.752
  457    H    ASN  60           H        ASN  60   4.583   8.782  -7.585
  458    HA   ASN  60           HA       ASN  60   2.235   7.278  -8.382
  459   1HB   ASN  60          2HB       ASN  60   2.070   9.722  -7.871
  460   2HB   ASN  60          1HB       ASN  60   3.111  10.039  -9.247
  461   1HD2  ASN  60          1HD2      ASN  60   0.303   7.958  -8.646
  462   2HD2  ASN  60          2HD2      ASN  60  -0.607   8.489 -10.019
  463    H    ILE  61           H        ILE  61   2.730   5.772  -9.741
  464    HA   ILE  61           HA       ILE  61   4.695   6.107 -11.851
  465    HB   ILE  61           HB       ILE  61   3.895   3.711 -12.434
  466   1HG1  ILE  61          2HG1      ILE  61   3.058   2.517 -10.348
  467   2HG1  ILE  61          1HG1      ILE  61   2.671   4.103  -9.692
  468   1HG2  ILE  61          1HG2      ILE  61   6.052   4.389 -11.377
  469   2HG2  ILE  61          2HG2      ILE  61   5.491   2.785 -10.914
  470   3HG2  ILE  61          3HG2      ILE  61   5.306   4.137  -9.799
  471   1HD1  ILE  61          1HD1      ILE  61   0.853   2.676 -10.912
  472   2HD1  ILE  61          2HD1      ILE  61   1.602   3.338 -12.366
  473   3HD1  ILE  61          3HD1      ILE  61   0.926   4.425 -11.152
  474    H    GLN  62           H        GLN  62   3.936   4.927 -13.989
  475    HA   GLN  62           HA       GLN  62   1.988   6.640 -15.179
  476   1HB   GLN  62          2HB       GLN  62   3.870   4.542 -16.065
  477   2HB   GLN  62          1HB       GLN  62   2.438   4.730 -17.073
  478   1HG   GLN  62          2HG       GLN  62   3.617   7.284 -16.416
  479   2HG   GLN  62          1HG       GLN  62   4.778   6.209 -17.197
  480   1HE2  GLN  62          1HE2      GLN  62   3.255   8.671 -18.074
  481   2HE2  GLN  62          2HE2      GLN  62   2.516   8.212 -19.567
  482    H    LYS  63           H        LYS  63   0.895   4.597 -16.999
  483    HA   LYS  63           HA       LYS  63  -1.324   3.716 -15.314
  484   1HB   LYS  63          2HB       LYS  63  -2.499   3.296 -17.433
  485   2HB   LYS  63          1HB       LYS  63  -1.906   4.954 -17.317
  486   1HG   LYS  63          2HG       LYS  63   0.143   3.515 -18.562
  487   2HG   LYS  63          1HG       LYS  63  -1.355   2.959 -19.305
  488   1HD   LYS  63          2HD       LYS  63  -1.856   5.032 -20.167
  489   2HD   LYS  63          1HD       LYS  63  -0.964   5.883 -18.908
  490   1HE   LYS  63          2HE       LYS  63   0.234   6.126 -20.967
  491   2HE   LYS  63          1HE       LYS  63   1.148   5.045 -19.920
  492   1HZ   LYS  63          1HZ       LYS  63   0.189   4.569 -22.505
  493   2HZ   LYS  63          2HZ       LYS  63  -0.599   3.499 -21.465
  494   3HZ   LYS  63          3HZ       LYS  63   1.092   3.521 -21.527
  495    H    GLU  64           H        GLU  64  -2.169   1.568 -15.496
  496    HA   GLU  64           HA       GLU  64  -2.032  -0.687 -15.511
  497   1HB   GLU  64          2HB       GLU  64   0.029  -0.069 -17.619
  498   2HB   GLU  64          1HB       GLU  64  -0.235  -1.717 -17.054
  499   1HG   GLU  64          2HG       GLU  64  -1.482  -1.289 -19.077
  500   2HG   GLU  64          1HG       GLU  64  -2.565  -1.581 -17.718
  501    H    SER  65           H        SER  65  -1.447  -0.508 -13.357
  502    HA   SER  65           HA       SER  65   1.117  -1.690 -12.740
  503   1HB   SER  65          2HB       SER  65   0.409   0.901 -11.364
  504   2HB   SER  65          1HB       SER  65   1.939   0.023 -11.304
  505    HG   SER  65           HG       SER  65   1.107   0.808 -13.817
  506    H    THR  66           H        THR  66   0.495  -3.324 -11.525
  507    HA   THR  66           HA       THR  66  -1.955  -3.426 -10.128
  508    HB   THR  66           HB       THR  66   0.191  -5.278  -9.270
  509    HG1  THR  66           1HG      THR  66  -0.168  -6.382 -11.376
  510   1HG2  THR  66          1HG2      THR  66  -1.683  -6.312  -8.663
  511   2HG2  THR  66          2HG2      THR  66  -1.819  -6.765 -10.364
  512   3HG2  THR  66          3HG2      THR  66  -2.688  -5.357  -9.753
  513    H    LEU  67           H        LEU  67  -2.482  -3.193  -8.023
  514    HA   LEU  67           HA       LEU  67  -0.360  -2.262  -6.199
  515   1HB   LEU  67          2HB       LEU  67  -2.956  -1.030  -6.887
  516   2HB   LEU  67          1HB       LEU  67  -2.562  -1.066  -5.182
  517    HG   LEU  67           HG       LEU  67  -0.712   0.100  -7.270
  518   1HD1  LEU  67          1HD1      LEU  67  -2.170   1.791  -7.418
  519   2HD1  LEU  67          2HD1      LEU  67  -1.726   2.178  -5.752
  520   3HD1  LEU  67          3HD1      LEU  67  -3.141   1.175  -6.082
  521   1HD2  LEU  67          1HD2      LEU  67  -0.603   1.029  -4.511
  522   2HD2  LEU  67          2HD2      LEU  67   0.697   0.519  -5.592
  523   3HD2  LEU  67          3HD2      LEU  67  -0.223  -0.684  -4.687
  524    H    HIS  68           H        HIS  68  -0.251  -3.304  -4.274
  525    HA   HIS  68           HA       HIS  68  -2.503  -5.064  -3.561
  526   1HB   HIS  68          2HB       HIS  68  -0.398  -6.229  -4.353
  527   2HB   HIS  68          1HB       HIS  68   0.403  -5.582  -2.920
  528    HD1  HIS  68           1HD      HIS  68  -0.522  -8.663  -3.826
  529    HD2  HIS  68           2HD      HIS  68  -1.875  -6.299  -0.681
  530    HE1  HIS  68           1HE      HIS  68  -1.461 -10.253  -2.130
  531    HE2  HIS  68           2HE      HIS  68  -2.177  -8.808  -0.205
  532    H    LEU  69           H        LEU  69  -3.414  -4.663  -1.651
  533    HA   LEU  69           HA       LEU  69  -1.827  -3.232   0.388
  534   1HB   LEU  69          2HB       LEU  69  -4.641  -2.772  -0.537
  535   2HB   LEU  69          1HB       LEU  69  -4.182  -2.384   1.117
  536    HG   LEU  69           HG       LEU  69  -2.244  -1.238  -0.617
  537   1HD1  LEU  69          1HD1      LEU  69  -4.314  -1.489  -2.193
  538   2HD1  LEU  69          2HD1      LEU  69  -3.396   0.014  -2.154
  539   3HD1  LEU  69          3HD1      LEU  69  -4.923  -0.113  -1.276
  540   1HD2  LEU  69          1HD2      LEU  69  -2.750  -0.416   1.579
  541   2HD2  LEU  69          2HD2      LEU  69  -4.410  -0.070   1.113
  542   3HD2  LEU  69          3HD2      LEU  69  -3.080   0.851   0.402
  543    H    VAL  70           H        VAL  70  -1.535  -4.385   2.136
  544    HA   VAL  70           HA       VAL  70  -3.492  -6.488   2.789
  545    HB   VAL  70           HB       VAL  70  -0.605  -6.445   3.655
  546   1HG1  VAL  70          1HG1      VAL  70  -2.333  -8.863   3.429
  547   2HG1  VAL  70          2HG1      VAL  70  -2.506  -7.804   4.827
  548   3HG1  VAL  70          3HG1      VAL  70  -0.952  -8.565   4.480
  549   1HG2  VAL  70          1HG2      VAL  70  -0.557  -8.389   1.891
  550   2HG2  VAL  70          2HG2      VAL  70  -0.310  -6.711   1.395
  551   3HG2  VAL  70          3HG2      VAL  70  -1.881  -7.472   1.166
  552    H    LEU  71           H        LEU  71  -4.316  -6.658   4.829
  553    HA   LEU  71           HA       LEU  71  -3.569  -4.518   6.696
  554   1HB   LEU  71          2HB       LEU  71  -6.164  -5.664   5.875
  555   2HB   LEU  71          1HB       LEU  71  -5.982  -5.326   7.593
  556    HG   LEU  71           HG       LEU  71  -5.062  -3.013   6.307
  557   1HD1  LEU  71          1HD1      LEU  71  -6.254  -2.646   4.466
  558   2HD1  LEU  71          2HD1      LEU  71  -7.744  -3.189   5.238
  559   3HD1  LEU  71          3HD1      LEU  71  -6.660  -4.365   4.486
  560   1HD2  LEU  71          1HD2      LEU  71  -7.553  -2.361   7.092
  561   2HD2  LEU  71          2HD2      LEU  71  -6.194  -2.530   8.200
  562   3HD2  LEU  71          3HD2      LEU  71  -7.330  -3.861   7.989
  563    H    ARG  72           H        ARG  72  -2.302  -5.290   8.243
  564    HA   ARG  72           HA       ARG  72  -2.528  -8.037   9.144
  565   1HB   ARG  72          2HB       ARG  72  -0.652  -5.848  10.048
  566   2HB   ARG  72          1HB       ARG  72  -0.537  -7.547  10.472
  567   1HG   ARG  72          2HG       ARG  72  -0.616  -7.069   7.589
  568   2HG   ARG  72          1HG       ARG  72   0.769  -6.331   8.400
  569   1HD   ARG  72          2HD       ARG  72   1.739  -8.331   8.259
  570   2HD   ARG  72          1HD       ARG  72   0.633  -8.839   9.535
  571    HE   ARG  72           HE       ARG  72  -0.130  -9.118   6.708
  572   1HH1  ARG  72          1HH1      ARG  72   0.513 -10.549   9.827
  573   2HH1  ARG  72          2HH1      ARG  72  -0.076 -12.112   9.369
  574   1HH2  ARG  72          1HH2      ARG  72  -0.959 -11.167   6.131
  575   2HH2  ARG  72          2HH2      ARG  72  -0.928 -12.456   7.282
  576    H    LEU  73           H        LEU  73  -2.941  -8.663  11.308
  577    HA   LEU  73           HA       LEU  73  -4.882  -7.003  12.632
  578   1HB   LEU  73          2HB       LEU  73  -4.030  -9.765  12.723
  579   2HB   LEU  73          1HB       LEU  73  -4.223  -9.112  14.335
  580    HG   LEU  73           HG       LEU  73  -6.390  -8.832  12.262
  581   1HD1  LEU  73          1HD1      LEU  73  -6.945 -10.905  14.158
  582   2HD1  LEU  73          2HD1      LEU  73  -5.426 -11.261  13.333
  583   3HD1  LEU  73          3HD1      LEU  73  -6.895 -10.996  12.396
  584   1HD2  LEU  73          1HD2      LEU  73  -7.812  -8.525  14.171
  585   2HD2  LEU  73          2HD2      LEU  73  -6.443  -7.422  14.315
  586   3HD2  LEU  73          3HD2      LEU  73  -6.491  -8.904  15.275
  587    H    ARG  74           H        ARG  74  -4.749  -6.043  14.648
  588    HA   ARG  74           HA       ARG  74  -2.210  -6.052  16.059
  589   1HB   ARG  74          2HB       ARG  74  -3.108  -3.857  14.390
  590   2HB   ARG  74          1HB       ARG  74  -2.902  -3.346  16.052
  591   1HG   ARG  74          2HG       ARG  74  -0.662  -3.518  15.963
  592   2HG   ARG  74          1HG       ARG  74  -0.708  -4.983  14.978
  593   1HD   ARG  74          2HD       ARG  74  -0.603  -3.828  13.028
  594   2HD   ARG  74          1HD       ARG  74  -1.615  -2.523  13.637
  595    HE   ARG  74           HE       ARG  74   0.820  -2.343  14.951
  596   1HH1  ARG  74          1HH1      ARG  74  -0.358  -2.101  11.671
  597   2HH1  ARG  74          2HH1      ARG  74   0.880  -0.997  11.177
  598   1HH2  ARG  74          1HH2      ARG  74   2.465  -0.909  14.293
  599   2HH2  ARG  74          2HH2      ARG  74   2.472  -0.315  12.665
  600    H    GLY  75           H        GLY  75  -5.201  -6.720  16.368
  601   1HA   GLY  75          2HA       GLY  75  -6.151  -4.987  18.432
  602   2HA   GLY  75          1HA       GLY  75  -6.848  -6.531  17.960
  603    H    GLY  76           H        GLY  76  -3.610  -7.020  18.604
  604   1HA   GLY  76          2HA       GLY  76  -2.480  -7.437  20.639
  605   2HA   GLY  76          1HA       GLY  76  -4.023  -7.395  21.476
  606    H    HIS  77           H        HIS  77  -2.189  -9.390  21.964
  607    HA   HIS  77           HA       HIS  77  -2.473 -11.722  20.433
  608   1HB   HIS  77          2HB       HIS  77  -1.038 -10.970  22.687
  609   2HB   HIS  77          1HB       HIS  77  -2.112 -12.222  23.289
  610    HD1  HIS  77           1HD      HIS  77  -1.932 -13.686  20.337
  611    HD2  HIS  77           2HD      HIS  77   1.133 -12.822  23.010
  612    HE1  HIS  77           1HE      HIS  77  -0.080 -15.289  19.788
  613    HE2  HIS  77           2HE      HIS  77   1.805 -14.668  21.334
  614    H    HIS  78           H        HIS  78  -3.766 -13.525  20.663
  615    HA   HIS  78           HA       HIS  78  -6.320 -13.074  22.040
  616   1HB   HIS  78          2HB       HIS  78  -7.098 -14.982  20.583
  617   2HB   HIS  78          1HB       HIS  78  -6.654 -13.508  19.732
  618    HD1  HIS  78           1HD      HIS  78  -6.279 -16.990  19.425
  619    HD2  HIS  78           2HD      HIS  78  -3.705 -13.766  18.923
  620    HE1  HIS  78           1HE      HIS  78  -4.409 -17.851  17.976
  621    HE2  HIS  78           2HE      HIS  78  -2.805 -15.906  17.769
  622    H    HIS  79           H        HIS  79  -6.863 -14.226  23.774
  623    HA   HIS  79           HA       HIS  79  -5.053 -16.342  24.656
  624   1HB   HIS  79          2HB       HIS  79  -5.747 -14.494  26.201
  625   2HB   HIS  79          1HB       HIS  79  -7.386 -15.135  26.149
  626    HD1  HIS  79           1HD      HIS  79  -5.513 -14.977  28.717
  627    HD2  HIS  79           2HD      HIS  79  -6.253 -18.353  26.410
  628    HE1  HIS  79           1HE      HIS  79  -5.041 -16.932  30.225
  629    HE2  HIS  79           2HE      HIS  79  -5.505 -18.968  28.813
  630    H    HIS  80           H        HIS  80  -5.493 -18.378  24.239
  631    HA   HIS  80           HA       HIS  80  -8.133 -19.214  23.382
  632   1HB   HIS  80          2HB       HIS  80  -5.535 -20.085  22.822
  633   2HB   HIS  80          1HB       HIS  80  -6.219 -21.364  23.823
  634    HD1  HIS  80           1HD      HIS  80  -6.020 -22.800  21.546
  635    HD2  HIS  80           2HD      HIS  80  -8.833 -19.732  21.564
  636    HE1  HIS  80           1HE      HIS  80  -7.567 -23.292  19.622
  637    HE2  HIS  80           2HE      HIS  80  -9.319 -21.487  19.721
  638    H    HIS  81           H        HIS  81  -9.504 -20.563  24.482
  639    HA   HIS  81           HA       HIS  81  -8.894 -20.938  27.340
  640   1HB   HIS  81          2HB       HIS  81 -11.311 -20.228  25.843
  641   2HB   HIS  81          1HB       HIS  81 -11.575 -21.440  27.087
  642    HD1  HIS  81           1HD      HIS  81  -9.225 -20.020  28.902
  643    HD2  HIS  81           2HD      HIS  81 -12.741 -18.366  27.425
  644    HE1  HIS  81           1HE      HIS  81  -9.742 -18.084  30.417
  645    HE2  HIS  81           2HE      HIS  81 -11.840 -17.053  29.466
  646    H    HIS  82           H        HIS  82  -8.198 -22.895  27.820
  647    HA   HIS  82           HA       HIS  82  -8.797 -25.200  26.193
  648   1HB   HIS  82          2HB       HIS  82  -6.672 -24.615  27.694
  649   2HB   HIS  82          1HB       HIS  82  -7.600 -25.482  28.912
  650    HD1  HIS  82           1HD      HIS  82  -8.614 -27.879  27.703
  651    HD2  HIS  82           2HD      HIS  82  -4.962 -26.328  26.486
  652    HE1  HIS  82           1HE      HIS  82  -7.397 -29.800  26.636
  653    HE2  HIS  82           2HE      HIS  82  -5.161 -28.866  25.980
  Start of MODEL   11
    1   1H    MET   1          1HT       MET   1  -7.417   6.128 -16.986
    2   2H    MET   1          2HT       MET   1  -5.859   6.841 -16.935
    3   3H    MET   1          3HT       MET   1  -7.247   7.826 -17.140
    4    HA   MET   1           HA       MET   1  -5.978   7.041 -14.806
    5   1HB   MET   1          2HB       MET   1  -7.707   8.549 -13.820
    6   2HB   MET   1          1HB       MET   1  -6.858   9.243 -15.194
    7   1HG   MET   1          2HG       MET   1  -8.938   8.234 -16.500
    8   2HG   MET   1          1HG       MET   1  -9.692   8.432 -14.920
    9   1HE   MET   1          1HE       MET   1 -10.628  11.324 -17.571
   10   2HE   MET   1          2HE       MET   1 -10.543   9.563 -17.555
   11   3HE   MET   1          3HE       MET   1  -9.236  10.501 -18.278
   12    H    GLN   2           H        GLN   2  -6.241   4.783 -14.551
   13    HA   GLN   2           HA       GLN   2  -8.410   4.042 -12.886
   14   1HB   GLN   2          2HB       GLN   2  -9.341   3.927 -15.313
   15   2HB   GLN   2          1HB       GLN   2  -8.362   2.473 -15.446
   16   1HG   GLN   2          2HG       GLN   2  -9.573   1.398 -13.709
   17   2HG   GLN   2          1HG       GLN   2 -10.411   2.890 -13.288
   18   1HE2  GLN   2          1HE2      GLN   2 -12.357   3.179 -14.111
   19   2HE2  GLN   2          2HE2      GLN   2 -13.022   2.338 -15.465
   20    H    ILE   3           H        ILE   3  -7.559   2.685 -11.472
   21    HA   ILE   3           HA       ILE   3  -5.384   0.885 -12.355
   22    HB   ILE   3           HB       ILE   3  -4.471   1.029 -10.054
   23   1HG1  ILE   3          2HG1      ILE   3  -5.868   3.554  -9.471
   24   2HG1  ILE   3          1HG1      ILE   3  -6.890   2.122  -9.387
   25   1HG2  ILE   3          1HG2      ILE   3  -3.461   3.250 -10.319
   26   2HG2  ILE   3          2HG2      ILE   3  -4.671   3.644 -11.538
   27   3HG2  ILE   3          3HG2      ILE   3  -3.504   2.357 -11.838
   28   1HD1  ILE   3          1HD1      ILE   3  -4.311   2.520  -7.888
   29   2HD1  ILE   3          2HD1      ILE   3  -5.375   1.118  -7.779
   30   3HD1  ILE   3          3HD1      ILE   3  -5.934   2.694  -7.221
   31    H    PHE   4           H        PHE   4  -5.090  -1.021 -10.922
   32    HA   PHE   4           HA       PHE   4  -7.674  -2.027  -9.922
   33   1HB   PHE   4          2HB       PHE   4  -5.891  -3.104 -11.924
   34   2HB   PHE   4          1HB       PHE   4  -6.053  -4.236 -10.587
   35    HD1  PHE   4           1HD      PHE   4  -7.531  -2.978 -13.567
   36    HD2  PHE   4           2HD      PHE   4  -8.414  -4.847  -9.854
   37    HE1  PHE   4           1HE      PHE   4  -9.686  -3.747 -14.473
   38    HE2  PHE   4           2HE      PHE   4 -10.573  -5.620 -10.747
   39    HZ   PHE   4           HZ       PHE   4 -11.211  -5.070 -13.062
   40    H    VAL   5           H        VAL   5  -7.685  -2.902  -7.873
   41    HA   VAL   5           HA       VAL   5  -5.086  -3.392  -6.591
   42    HB   VAL   5           HB       VAL   5  -7.348  -1.945  -5.213
   43   1HG1  VAL   5          1HG1      VAL   5  -4.509  -2.572  -4.431
   44   2HG1  VAL   5          2HG1      VAL   5  -5.994  -3.119  -3.652
   45   3HG1  VAL   5          3HG1      VAL   5  -5.530  -1.420  -3.568
   46   1HG2  VAL   5          1HG2      VAL   5  -5.052  -0.291  -5.512
   47   2HG2  VAL   5          2HG2      VAL   5  -6.688  -0.028  -6.113
   48   3HG2  VAL   5          3HG2      VAL   5  -5.514  -0.892  -7.102
   49    H    LYS   6           H        LYS   6  -5.011  -5.304  -5.621
   50    HA   LYS   6           HA       LYS   6  -7.465  -6.810  -5.226
   51   1HB   LYS   6          2HB       LYS   6  -4.880  -7.505  -6.024
   52   2HB   LYS   6          1HB       LYS   6  -5.043  -8.183  -4.409
   53   1HG   LYS   6          2HG       LYS   6  -7.417  -8.737  -5.884
   54   2HG   LYS   6          1HG       LYS   6  -6.017  -9.210  -6.847
   55   1HD   LYS   6          2HD       LYS   6  -5.240 -10.682  -5.183
   56   2HD   LYS   6          1HD       LYS   6  -6.304  -9.987  -3.957
   57   1HE   LYS   6          2HE       LYS   6  -8.122 -11.135  -4.693
   58   2HE   LYS   6          1HE       LYS   6  -7.579 -11.150  -6.365
   59   1HZ   LYS   6          1HZ       LYS   6  -7.570 -13.320  -4.955
   60   2HZ   LYS   6          2HZ       LYS   6  -6.099 -12.720  -4.374
   61   3HZ   LYS   6          3HZ       LYS   6  -6.302 -13.001  -6.029
   62    H    THR   7           H        THR   7  -8.422  -7.084  -3.358
   63    HA   THR   7           HA       THR   7  -7.179  -6.008  -0.955
   64    HB   THR   7           HB       THR   7  -9.440  -6.352   0.055
   65    HG1  THR   7           1HG      THR   7 -10.973  -7.321  -1.025
   66   1HG2  THR   7          1HG2      THR   7 -10.364  -4.935  -2.242
   67   2HG2  THR   7          2HG2      THR   7  -8.715  -4.443  -1.861
   68   3HG2  THR   7          3HG2      THR   7  -9.976  -4.328  -0.634
   69    H    LEU   8           H        LEU   8  -8.126  -7.366   1.114
   70    HA   LEU   8           HA       LEU   8  -6.600  -9.797   1.039
   71   1HB   LEU   8          2HB       LEU   8  -6.778  -8.194   2.996
   72   2HB   LEU   8          1HB       LEU   8  -8.383  -8.847   3.275
   73    HG   LEU   8           HG       LEU   8  -7.015 -11.146   3.259
   74   1HD1  LEU   8          1HD1      LEU   8  -5.016  -9.015   3.684
   75   2HD1  LEU   8          2HD1      LEU   8  -4.824 -10.646   3.039
   76   3HD1  LEU   8          3HD1      LEU   8  -4.946 -10.394   4.780
   77   1HD2  LEU   8          1HD2      LEU   8  -7.708  -9.207   5.394
   78   2HD2  LEU   8          2HD2      LEU   8  -6.686 -10.575   5.832
   79   3HD2  LEU   8          3HD2      LEU   8  -8.279 -10.854   5.129
   80    H    THR   9           H        THR   9  -9.935  -8.967   0.677
   81    HA   THR   9           HA       THR   9 -10.878 -11.648   1.246
   82    HB   THR   9           HB       THR   9 -12.360  -9.276   0.101
   83    HG1  THR   9           1HG      THR   9 -13.149  -9.655   2.520
   84   1HG2  THR   9          1HG2      THR   9 -14.386 -10.368   0.756
   85   2HG2  THR   9          2HG2      THR   9 -13.486 -11.727   1.430
   86   3HG2  THR   9          3HG2      THR   9 -13.480 -11.440  -0.310
   87    H    GLY  10           H        GLY  10  -9.606  -9.995  -1.440
   88   1HA   GLY  10          2HA       GLY  10  -9.040 -11.284  -3.395
   89   2HA   GLY  10          1HA       GLY  10 -10.543 -12.162  -3.194
   90    H    ALA  11           H        ALA  11 -11.441  -9.186  -2.509
   91    HA   ALA  11           HA       ALA  11 -12.597  -8.749  -5.122
   92   1HB   ALA  11          1HB       ALA  11 -13.051  -6.741  -3.021
   93   2HB   ALA  11          2HB       ALA  11 -13.569  -8.385  -2.647
   94   3HB   ALA  11          3HB       ALA  11 -14.197  -7.566  -4.078
   95    H    THR  12           H        THR  12 -11.554  -7.657  -6.656
   96    HA   THR  12           HA       THR  12  -9.476  -5.775  -6.050
   97    HB   THR  12           HB       THR  12  -9.435  -5.491  -8.555
   98    HG1  THR  12           1HG      THR  12 -10.937  -7.741  -8.973
   99   1HG2  THR  12          1HG2      THR  12  -8.276  -7.433  -8.989
  100   2HG2  THR  12          2HG2      THR  12  -9.324  -8.411  -7.961
  101   3HG2  THR  12          3HG2      THR  12  -8.157  -7.306  -7.234
  102    H    ILE  13           H        ILE  13  -9.616  -3.561  -6.111
  103    HA   ILE  13           HA       ILE  13 -12.276  -2.445  -6.726
  104    HB   ILE  13           HB       ILE  13 -11.615  -0.573  -5.164
  105   1HG1  ILE  13          2HG1      ILE  13  -9.520  -2.580  -4.300
  106   2HG1  ILE  13          1HG1      ILE  13  -9.188  -1.075  -5.152
  107   1HG2  ILE  13          1HG2      ILE  13 -12.161  -3.380  -4.303
  108   2HG2  ILE  13          2HG2      ILE  13 -13.232  -1.979  -4.306
  109   3HG2  ILE  13          3HG2      ILE  13 -11.955  -2.111  -3.096
  110   1HD1  ILE  13          1HD1      ILE  13 -10.485  -1.259  -2.445
  111   2HD1  ILE  13          2HD1      ILE  13  -9.986   0.209  -3.285
  112   3HD1  ILE  13          3HD1      ILE  13  -8.772  -0.944  -2.729
  113    H    THR  14           H        THR  14 -12.454  -0.572  -7.857
  114    HA   THR  14           HA       THR  14 -10.096   0.228  -9.405
  115    HB   THR  14           HB       THR  14 -11.748   1.373 -10.884
  116    HG1  THR  14           1HG      THR  14 -13.775   0.027  -9.464
  117   1HG2  THR  14          1HG2      THR  14 -13.093  -0.873 -11.396
  118   2HG2  THR  14          2HG2      THR  14 -11.783  -1.536 -10.418
  119   3HG2  THR  14          3HG2      THR  14 -11.415  -0.618 -11.877
  120    H    LEU  15           H        LEU  15  -9.085   2.124  -9.000
  121    HA   LEU  15           HA       LEU  15 -10.607   4.233  -7.653
  122   1HB   LEU  15          2HB       LEU  15  -8.897   2.608  -6.273
  123   2HB   LEU  15          1HB       LEU  15  -7.860   3.963  -6.676
  124    HG   LEU  15           HG       LEU  15  -9.786   5.418  -5.717
  125   1HD1  LEU  15          1HD1      LEU  15 -11.220   3.246  -5.578
  126   2HD1  LEU  15          2HD1      LEU  15 -11.322   4.457  -4.300
  127   3HD1  LEU  15          3HD1      LEU  15 -10.354   3.002  -4.062
  128   1HD2  LEU  15          1HD2      LEU  15  -8.694   4.147  -3.387
  129   2HD2  LEU  15          2HD2      LEU  15  -8.316   5.723  -4.083
  130   3HD2  LEU  15          3HD2      LEU  15  -7.457   4.285  -4.636
  131    H    GLU  16           H        GLU  16  -9.501   6.305  -7.599
  132    HA   GLU  16           HA       GLU  16  -7.838   6.718  -9.992
  133   1HB   GLU  16          2HB       GLU  16 -10.337   7.779  -9.480
  134   2HB   GLU  16          1HB       GLU  16  -9.252   9.079  -9.008
  135   1HG   GLU  16          2HG       GLU  16  -8.197   8.278 -11.400
  136   2HG   GLU  16          1HG       GLU  16  -9.928   8.060 -11.654
  137    H    VAL  17           H        VAL  17  -5.949   7.855  -9.781
  138    HA   VAL  17           HA       VAL  17  -5.107   8.394  -7.070
  139    HB   VAL  17           HB       VAL  17  -2.875   8.844  -8.168
  140   1HG1  VAL  17          1HG1      VAL  17  -2.760   6.326  -8.976
  141   2HG1  VAL  17          2HG1      VAL  17  -4.347   6.261  -8.212
  142   3HG1  VAL  17          3HG1      VAL  17  -2.935   6.739  -7.272
  143   1HG2  VAL  17          1HG2      VAL  17  -4.121   9.298 -10.423
  144   2HG2  VAL  17          2HG2      VAL  17  -3.986   7.550 -10.620
  145   3HG2  VAL  17          3HG2      VAL  17  -2.533   8.530 -10.428
  146    H    GLU  18           H        GLU  18  -3.817  10.306  -6.590
  147    HA   GLU  18           HA       GLU  18  -4.428  12.746  -8.045
  148   1HB   GLU  18          2HB       GLU  18  -5.555  12.018  -5.405
  149   2HB   GLU  18          1HB       GLU  18  -4.938  13.657  -5.566
  150   1HG   GLU  18          2HG       GLU  18  -6.466  14.181  -7.266
  151   2HG   GLU  18          1HG       GLU  18  -6.875  12.486  -7.531
  152    H    SER  19           H        SER  19  -3.019  14.452  -7.584
  153    HA   SER  19           HA       SER  19  -0.402  13.670  -6.769
  154   1HB   SER  19          2HB       SER  19  -1.283  15.627  -8.367
  155   2HB   SER  19          1HB       SER  19  -1.141  16.558  -6.876
  156    HG   SER  19           HG       SER  19   0.831  16.698  -7.784
  157    H    SER  20           H        SER  20  -3.034  15.477  -5.324
  158    HA   SER  20           HA       SER  20  -1.552  16.105  -2.922
  159   1HB   SER  20          2HB       SER  20  -3.479  17.458  -4.057
  160   2HB   SER  20          1HB       SER  20  -4.530  16.379  -3.140
  161    HG   SER  20           HG       SER  20  -3.272  18.541  -2.282
  162    H    ASP  21           H        ASP  21  -2.638  13.254  -3.913
  163    HA   ASP  21           HA       ASP  21  -4.111  12.404  -1.588
  164   1HB   ASP  21          2HB       ASP  21  -4.366  11.498  -3.966
  165   2HB   ASP  21          1HB       ASP  21  -2.878  10.604  -3.671
  166    H    THR  22           H        THR  22  -3.155  12.023   0.298
  167    HA   THR  22           HA       THR  22  -0.427  10.905   0.279
  168    HB   THR  22           HB       THR  22  -1.493  12.302   2.685
  169    HG1  THR  22           1HG      THR  22  -0.206  14.047   1.086
  170   1HG2  THR  22          1HG2      THR  22   0.946  13.219   2.501
  171   2HG2  THR  22          2HG2      THR  22   1.170  11.812   1.460
  172   3HG2  THR  22          3HG2      THR  22   0.634  11.600   3.125
  173    H    ILE  23           H        ILE  23   0.092   9.615   2.252
  174    HA   ILE  23           HA       ILE  23  -1.752   7.485   2.538
  175    HB   ILE  23           HB       ILE  23   0.555   8.077   4.389
  176   1HG1  ILE  23          2HG1      ILE  23   1.317   8.185   2.050
  177   2HG1  ILE  23          1HG1      ILE  23   1.964   6.772   2.874
  178   1HG2  ILE  23          1HG2      ILE  23  -0.902   5.558   3.622
  179   2HG2  ILE  23          2HG2      ILE  23  -0.823   6.320   5.211
  180   3HG2  ILE  23          3HG2      ILE  23   0.619   5.578   4.516
  181   1HD1  ILE  23          1HD1      ILE  23   0.959   5.363   1.471
  182   2HD1  ILE  23          2HD1      ILE  23   0.766   6.773   0.431
  183   3HD1  ILE  23          3HD1      ILE  23  -0.552   6.271   1.490
  184    H    ASP  24           H        ASP  24  -1.214  10.438   4.279
  185    HA   ASP  24           HA       ASP  24  -2.712   9.613   6.614
  186   1HB   ASP  24          2HB       ASP  24  -0.806  11.573   6.130
  187   2HB   ASP  24          1HB       ASP  24  -2.302  12.484   6.326
  188    H    ASN  25           H        ASN  25  -3.169  11.610   3.762
  189    HA   ASN  25           HA       ASN  25  -5.606  12.791   4.388
  190   1HB   ASN  25          2HB       ASN  25  -3.955  12.802   2.204
  191   2HB   ASN  25          1HB       ASN  25  -5.359  11.940   1.582
  192   1HD2  ASN  25          1HD2      ASN  25  -4.447  14.853   3.366
  193   2HD2  ASN  25          2HD2      ASN  25  -5.695  15.855   2.714
  194    H    VAL  26           H        VAL  26  -4.926   9.588   3.053
  195    HA   VAL  26           HA       VAL  26  -7.533   8.824   2.399
  196    HB   VAL  26           HB       VAL  26  -5.426   6.982   3.539
  197   1HG1  VAL  26          1HG1      VAL  26  -8.002   6.622   2.122
  198   2HG1  VAL  26          2HG1      VAL  26  -7.239   5.624   3.361
  199   3HG1  VAL  26          3HG1      VAL  26  -6.683   5.533   1.689
  200   1HG2  VAL  26          1HG2      VAL  26  -5.170   6.664   0.892
  201   2HG2  VAL  26          2HG2      VAL  26  -4.198   7.806   1.819
  202   3HG2  VAL  26          3HG2      VAL  26  -5.614   8.370   0.933
  203    H    LYS  27           H        LYS  27  -5.826   8.843   5.464
  204    HA   LYS  27           HA       LYS  27  -7.720   7.376   6.957
  205   1HB   LYS  27          2HB       LYS  27  -5.891   9.498   8.071
  206   2HB   LYS  27          1HB       LYS  27  -6.524   8.077   8.892
  207   1HG   LYS  27          2HG       LYS  27  -5.211   6.705   7.196
  208   2HG   LYS  27          1HG       LYS  27  -4.398   8.215   6.778
  209   1HD   LYS  27          2HD       LYS  27  -4.291   8.141   9.548
  210   2HD   LYS  27          1HD       LYS  27  -4.017   6.466   9.067
  211   1HE   LYS  27          2HE       LYS  27  -2.231   7.212   7.551
  212   2HE   LYS  27          1HE       LYS  27  -2.497   8.873   8.074
  213   1HZ   LYS  27          1HZ       LYS  27  -1.685   8.420  10.189
  214   2HZ   LYS  27          2HZ       LYS  27  -0.622   7.589   9.168
  215   3HZ   LYS  27          3HZ       LYS  27  -1.824   6.744  10.005
  216    H    SER  28           H        SER  28  -7.279  10.862   6.444
  217    HA   SER  28           HA       SER  28  -9.271  11.759   8.189
  218   1HB   SER  28          2HB       SER  28  -7.438  12.968   6.570
  219   2HB   SER  28          1HB       SER  28  -8.940  13.343   5.726
  220    HG   SER  28           HG       SER  28  -8.213  14.834   7.459
  221    H    LYS  29           H        LYS  29  -9.464  10.972   4.730
  222    HA   LYS  29           HA       LYS  29 -12.144  11.732   4.390
  223   1HB   LYS  29          2HB       LYS  29 -10.267   9.992   2.847
  224   2HB   LYS  29          1HB       LYS  29 -11.962  10.070   2.387
  225   1HG   LYS  29          2HG       LYS  29 -10.315  12.551   2.723
  226   2HG   LYS  29          1HG       LYS  29 -10.330  11.642   1.212
  227   1HD   LYS  29          2HD       LYS  29 -12.076  12.968   0.704
  228   2HD   LYS  29          1HD       LYS  29 -12.988  11.849   1.720
  229   1HE   LYS  29          2HE       LYS  29 -12.443  13.361   3.666
  230   2HE   LYS  29          1HE       LYS  29 -11.828  14.519   2.489
  231   1HZ   LYS  29          1HZ       LYS  29 -13.896  15.017   1.760
  232   2HZ   LYS  29          2HZ       LYS  29 -14.319  14.546   3.328
  233   3HZ   LYS  29          3HZ       LYS  29 -14.510  13.466   2.041
  234    H    ILE  30           H        ILE  30 -11.154   9.339   6.391
  235    HA   ILE  30           HA       ILE  30 -13.223   7.421   5.716
  236    HB   ILE  30           HB       ILE  30 -11.536   7.473   8.218
  237   1HG1  ILE  30          2HG1      ILE  30 -10.925   6.033   5.629
  238   2HG1  ILE  30          1HG1      ILE  30 -10.162   7.543   6.115
  239   1HG2  ILE  30          1HG2      ILE  30 -13.226   5.414   6.840
  240   2HG2  ILE  30          2HG2      ILE  30 -13.268   5.938   8.522
  241   3HG2  ILE  30          3HG2      ILE  30 -11.932   4.947   7.941
  242   1HD1  ILE  30          1HD1      ILE  30  -8.736   5.646   6.590
  243   2HD1  ILE  30          2HD1      ILE  30  -9.998   4.929   7.594
  244   3HD1  ILE  30          3HD1      ILE  30  -9.237   6.445   8.078
  245    H    GLN  31           H        GLN  31 -13.918  10.220   6.391
  246    HA   GLN  31           HA       GLN  31 -15.292   9.955   8.958
  247   1HB   GLN  31          2HB       GLN  31 -13.987  12.058   7.973
  248   2HB   GLN  31          1HB       GLN  31 -15.563  12.393   7.269
  249   1HG   GLN  31          2HG       GLN  31 -15.563  13.570   9.274
  250   2HG   GLN  31          1HG       GLN  31 -16.487  12.110   9.628
  251   1HE2  GLN  31          1HE2      GLN  31 -14.527  14.102  11.061
  252   2HE2  GLN  31          2HE2      GLN  31 -13.577  13.037  12.036
  253    H    ALA  32           H        ALA  32 -16.043   8.565   6.348
  254    HA   ALA  32           HA       ALA  32 -18.780   9.612   6.083
  255   1HB   ALA  32          1HB       ALA  32 -18.707   9.166   3.893
  256   2HB   ALA  32          2HB       ALA  32 -17.974   7.584   4.141
  257   3HB   ALA  32          3HB       ALA  32 -16.964   9.027   4.112
  258    H    ALA  33           H        ALA  33 -17.491   6.365   5.427
  259    HA   ALA  33           HA       ALA  33 -19.549   5.278   7.233
  260   1HB   ALA  33          1HB       ALA  33 -19.742   3.402   5.862
  261   2HB   ALA  33          2HB       ALA  33 -18.192   3.700   5.073
  262   3HB   ALA  33          3HB       ALA  33 -19.575   4.738   4.722
  263    HA   PRO  34           HA       PRO  34 -16.104   3.980   9.774
  264   1HB   PRO  34          2HB       PRO  34 -17.505   2.454  11.524
  265   2HB   PRO  34          1HB       PRO  34 -17.520   4.220  11.567
  266   1HG   PRO  34          2HG       PRO  34 -19.533   2.337  10.401
  267   2HG   PRO  34          1HG       PRO  34 -19.798   3.801  11.366
  268   1HD   PRO  34          2HD       PRO  34 -20.045   3.760   8.667
  269   2HD   PRO  34          1HD       PRO  34 -19.503   5.196   9.558
  270    H    GLY  35           H        GLY  35 -14.943   2.056  10.322
  271   1HA   GLY  35          2HA       GLY  35 -15.777  -0.551   9.642
  272   2HA   GLY  35          1HA       GLY  35 -14.854   0.116   8.304
  273    H    ILE  36           H        ILE  36 -12.881  -0.630   8.320
  274    HA   ILE  36           HA       ILE  36 -11.552  -1.542  10.714
  275    HB   ILE  36           HB       ILE  36  -9.942  -1.199   8.250
  276   1HG1  ILE  36          2HG1      ILE  36 -12.127  -1.711   7.234
  277   2HG1  ILE  36          1HG1      ILE  36 -11.007  -3.051   7.040
  278   1HG2  ILE  36          1HG2      ILE  36 -10.103  -3.892   9.079
  279   2HG2  ILE  36          2HG2      ILE  36 -10.030  -2.901  10.532
  280   3HG2  ILE  36          3HG2      ILE  36  -8.773  -2.757   9.305
  281   1HD1  ILE  36          1HD1      ILE  36 -12.481  -4.409   7.960
  282   2HD1  ILE  36          2HD1      ILE  36 -13.596  -3.060   8.183
  283   3HD1  ILE  36          3HD1      ILE  36 -12.435  -3.464   9.448
  284    HA   PRO  37           HA       PRO  37  -9.600   2.310  11.656
  285   1HB   PRO  37          2HB       PRO  37  -7.098   1.553  12.507
  286   2HB   PRO  37          1HB       PRO  37  -8.554   1.500  13.502
  287   1HG   PRO  37          2HG       PRO  37  -7.152  -0.690  12.075
  288   2HG   PRO  37          1HG       PRO  37  -8.008  -0.726  13.622
  289   1HD   PRO  37          2HD       PRO  37  -9.041  -1.708  11.301
  290   2HD   PRO  37          1HD       PRO  37 -10.041  -1.091  12.625
  291    HA   PRO  38           HA       PRO  38  -7.462   3.670   8.077
  292   1HB   PRO  38          2HB       PRO  38  -6.060   5.643   9.770
  293   2HB   PRO  38          1HB       PRO  38  -7.153   5.899   8.407
  294   1HG   PRO  38          2HG       PRO  38  -7.909   6.398  10.933
  295   2HG   PRO  38          1HG       PRO  38  -9.042   5.766   9.727
  296   1HD   PRO  38          2HD       PRO  38  -7.651   4.342  11.948
  297   2HD   PRO  38          1HD       PRO  38  -9.301   4.134  11.327
  298    H    ASP  39           H        ASP  39  -5.467   3.177  10.971
  299    HA   ASP  39           HA       ASP  39  -3.017   3.133   9.494
  300   1HB   ASP  39          2HB       ASP  39  -3.463   3.738  12.014
  301   2HB   ASP  39          1HB       ASP  39  -3.251   2.004  12.251
  302    H    GLN  40           H        GLN  40  -5.499   0.899   9.906
  303    HA   GLN  40           HA       GLN  40  -3.819  -1.443   9.949
  304   1HB   GLN  40          2HB       GLN  40  -6.674  -0.887  10.174
  305   2HB   GLN  40          1HB       GLN  40  -6.339  -2.292   9.173
  306   1HG   GLN  40          2HG       GLN  40  -4.928  -2.090  11.771
  307   2HG   GLN  40          1HG       GLN  40  -6.650  -2.462  11.795
  308   1HE2  GLN  40          1HE2      GLN  40  -3.855  -3.409   9.818
  309   2HE2  GLN  40          2HE2      GLN  40  -4.155  -5.107   9.907
  310    H    GLN  41           H        GLN  41  -4.306   0.766   7.622
  311    HA   GLN  41           HA       GLN  41  -4.195  -1.282   5.506
  312   1HB   GLN  41          2HB       GLN  41  -5.481   1.437   5.497
  313   2HB   GLN  41          1HB       GLN  41  -5.034   0.628   4.000
  314   1HG   GLN  41          2HG       GLN  41  -6.407  -1.342   4.871
  315   2HG   GLN  41          1HG       GLN  41  -7.062  -0.200   6.043
  316   1HE2  GLN  41          1HE2      GLN  41  -7.630  -1.605   3.166
  317   2HE2  GLN  41          2HE2      GLN  41  -8.649  -0.415   2.439
  318    H    GLU  42           H        GLU  42  -2.473  -1.317   4.273
  319    HA   GLU  42           HA       GLU  42  -0.839   1.035   3.854
  320   1HB   GLU  42          2HB       GLU  42  -0.172  -0.546   5.982
  321   2HB   GLU  42          1HB       GLU  42   0.805  -1.249   4.700
  322   1HG   GLU  42          2HG       GLU  42   2.296   0.343   5.047
  323   2HG   GLU  42          1HG       GLU  42   1.124   1.512   4.439
  324    H    LEU  43           H        LEU  43   0.755   0.752   2.154
  325    HA   LEU  43           HA       LEU  43  -0.034  -1.342   0.273
  326   1HB   LEU  43          2HB       LEU  43   1.833   0.986  -0.154
  327   2HB   LEU  43          1HB       LEU  43   1.130  -0.033  -1.395
  328    HG   LEU  43           HG       LEU  43  -1.082   1.014  -0.090
  329   1HD1  LEU  43          1HD1      LEU  43   0.934   2.597   0.791
  330   2HD1  LEU  43          2HD1      LEU  43  -0.738   3.126   0.593
  331   3HD1  LEU  43          3HD1      LEU  43   0.447   3.453  -0.672
  332   1HD2  LEU  43          1HD2      LEU  43  -1.399   2.290  -2.133
  333   2HD2  LEU  43          2HD2      LEU  43  -0.785   0.679  -2.506
  334   3HD2  LEU  43          3HD2      LEU  43   0.300   2.068  -2.557
  335    H    ILE  44           H        ILE  44   1.360  -2.971  -0.325
  336    HA   ILE  44           HA       ILE  44   4.132  -2.827   0.584
  337    HB   ILE  44           HB       ILE  44   2.500  -5.261   1.278
  338   1HG1  ILE  44          2HG1      ILE  44   3.395  -3.281   3.345
  339   2HG1  ILE  44          1HG1      ILE  44   1.881  -3.011   2.492
  340   1HG2  ILE  44          1HG2      ILE  44   4.399  -5.802   2.697
  341   2HG2  ILE  44          2HG2      ILE  44   5.197  -4.303   2.227
  342   3HG2  ILE  44          3HG2      ILE  44   4.919  -5.565   1.032
  343   1HD1  ILE  44          1HD1      ILE  44   2.327  -5.676   3.701
  344   2HD1  ILE  44          2HD1      ILE  44   0.839  -4.752   3.498
  345   3HD1  ILE  44          3HD1      ILE  44   1.980  -4.317   4.771
  346    H    PHE  45           H        PHE  45   5.523  -3.685  -0.839
  347    HA   PHE  45           HA       PHE  45   4.472  -5.064  -3.182
  348   1HB   PHE  45          2HB       PHE  45   6.466  -3.247  -2.915
  349   2HB   PHE  45          1HB       PHE  45   7.390  -4.743  -2.868
  350    HD1  PHE  45           1HD      PHE  45   6.661  -2.258  -4.965
  351    HD2  PHE  45           2HD      PHE  45   6.176  -6.482  -4.767
  352    HE1  PHE  45           1HE      PHE  45   6.604  -2.365  -7.422
  353    HE2  PHE  45           2HE      PHE  45   6.119  -6.594  -7.223
  354    HZ   PHE  45           HZ       PHE  45   6.334  -4.534  -8.554
  355    H    ALA  46           H        ALA  46   4.506  -6.355  -0.482
  356    HA   ALA  46           HA       ALA  46   4.852  -8.440   0.372
  357   1HB   ALA  46          1HB       ALA  46   5.281 -10.260  -1.076
  358   2HB   ALA  46          2HB       ALA  46   6.066  -9.227  -2.270
  359   3HB   ALA  46          3HB       ALA  46   4.324  -9.116  -2.016
  360    H    GLY  47           H        GLY  47   7.574  -7.700  -1.815
  361   1HA   GLY  47          2HA       GLY  47   9.438  -8.358   0.373
  362   2HA   GLY  47          1HA       GLY  47   9.832  -8.387  -1.344
  363    H    LYS  48           H        LYS  48   8.102  -5.708  -1.332
  364    HA   LYS  48           HA       LYS  48  10.308  -4.009  -0.340
  365   1HB   LYS  48          2HB       LYS  48   8.591  -3.229  -2.685
  366   2HB   LYS  48          1HB       LYS  48  10.134  -2.558  -2.187
  367   1HG   LYS  48          2HG       LYS  48  11.267  -4.595  -2.861
  368   2HG   LYS  48          1HG       LYS  48   9.723  -5.318  -3.318
  369   1HD   LYS  48          2HD       LYS  48   9.597  -3.060  -4.759
  370   2HD   LYS  48          1HD       LYS  48  11.349  -3.265  -4.697
  371   1HE   LYS  48          2HE       LYS  48  10.887  -5.688  -5.413
  372   2HE   LYS  48          1HE       LYS  48   9.279  -5.109  -5.843
  373   1HZ   LYS  48          1HZ       LYS  48  10.783  -3.285  -7.047
  374   2HZ   LYS  48          2HZ       LYS  48  10.285  -4.715  -7.802
  375   3HZ   LYS  48          3HZ       LYS  48  11.835  -4.608  -7.130
  376    H    GLN  49           H        GLN  49   9.610  -2.985   1.397
  377    HA   GLN  49           HA       GLN  49   6.783  -2.442   1.772
  378   1HB   GLN  49          2HB       GLN  49   9.050  -2.878   3.466
  379   2HB   GLN  49          1HB       GLN  49   8.312  -1.341   3.891
  380   1HG   GLN  49          2HG       GLN  49   6.226  -3.216   3.542
  381   2HG   GLN  49          1HG       GLN  49   7.465  -3.974   4.541
  382   1HE2  GLN  49          1HE2      GLN  49   7.233  -3.665   6.626
  383   2HE2  GLN  49          2HE2      GLN  49   6.474  -2.309   7.382
  384    H    LEU  50           H        LEU  50   5.810  -0.496   1.577
  385    HA   LEU  50           HA       LEU  50   7.397   1.713   0.570
  386   1HB   LEU  50          2HB       LEU  50   4.415   1.618   0.986
  387   2HB   LEU  50          1HB       LEU  50   5.317   2.730  -0.028
  388    HG   LEU  50           HG       LEU  50   4.786  -0.194  -0.509
  389   1HD1  LEU  50          1HD1      LEU  50   4.035   0.812  -2.730
  390   2HD1  LEU  50          2HD1      LEU  50   4.083   2.367  -1.901
  391   3HD1  LEU  50          3HD1      LEU  50   3.018   1.094  -1.324
  392   1HD2  LEU  50          1HD2      LEU  50   6.365  -0.311  -2.173
  393   2HD2  LEU  50          2HD2      LEU  50   7.212   0.669  -0.979
  394   3HD2  LEU  50          3HD2      LEU  50   6.448   1.439  -2.367
  395    H    GLU  51           H        GLU  51   6.939   3.914   1.312
  396    HA   GLU  51           HA       GLU  51   7.124   4.023   4.222
  397   1HB   GLU  51          2HB       GLU  51   8.158   5.559   2.017
  398   2HB   GLU  51          1HB       GLU  51   7.322   6.620   3.140
  399   1HG   GLU  51          2HG       GLU  51   8.941   4.821   4.631
  400   2HG   GLU  51          1HG       GLU  51   9.917   5.529   3.345
  401    H    ASP  52           H        ASP  52   5.579   4.781   5.537
  402    HA   ASP  52           HA       ASP  52   2.961   5.295   4.531
  403   1HB   ASP  52          2HB       ASP  52   3.841   4.341   6.868
  404   2HB   ASP  52          1HB       ASP  52   3.651   6.030   7.330
  405    H    GLY  53           H        GLY  53   5.596   7.329   5.678
  406   1HA   GLY  53          2HA       GLY  53   3.964   9.721   5.722
  407   2HA   GLY  53          1HA       GLY  53   5.694   9.631   6.003
  408    H    ARG  54           H        ARG  54   4.695   8.055   3.130
  409    HA   ARG  54           HA       ARG  54   5.913  10.195   1.578
  410   1HB   ARG  54          2HB       ARG  54   5.235   7.326   0.999
  411   2HB   ARG  54          1HB       ARG  54   5.655   8.440  -0.295
  412   1HG   ARG  54          2HG       ARG  54   7.466   8.203   2.055
  413   2HG   ARG  54          1HG       ARG  54   7.474   6.941   0.822
  414   1HD   ARG  54          2HD       ARG  54   7.545   9.676  -0.230
  415   2HD   ARG  54          1HD       ARG  54   8.950   9.225   0.735
  416    HE   ARG  54           HE       ARG  54   8.105   7.412  -1.392
  417   1HH1  ARG  54          1HH1      ARG  54  10.373   9.811  -0.245
  418   2HH1  ARG  54          2HH1      ARG  54  11.587   9.393  -1.405
  419   1HH2  ARG  54          1HH2      ARG  54   9.703   6.870  -2.918
  420   2HH2  ARG  54          2HH2      ARG  54  11.207   7.728  -2.923
  421    H    THR  55           H        THR  55   4.957  10.809  -0.518
  422    HA   THR  55           HA       THR  55   2.041  11.024  -0.263
  423    HB   THR  55           HB       THR  55   2.568  12.837  -2.153
  424    HG1  THR  55           1HG      THR  55   4.865  12.234  -1.986
  425   1HG2  THR  55          1HG2      THR  55   1.520  13.723  -0.326
  426   2HG2  THR  55          2HG2      THR  55   3.110  14.474  -0.199
  427   3HG2  THR  55          3HG2      THR  55   2.709  13.083   0.807
  428    H    LEU  56           H        LEU  56   0.859  11.169  -2.465
  429    HA   LEU  56           HA       LEU  56   1.271   8.732  -3.786
  430   1HB   LEU  56          2HB       LEU  56  -0.684  10.727  -3.812
  431   2HB   LEU  56          1HB       LEU  56  -0.130  10.606  -5.470
  432    HG   LEU  56           HG       LEU  56  -0.434   8.026  -5.059
  433   1HD1  LEU  56          1HD1      LEU  56  -1.510   9.156  -2.662
  434   2HD1  LEU  56          2HD1      LEU  56  -1.341   7.462  -3.121
  435   3HD1  LEU  56          3HD1      LEU  56  -2.793   8.357  -3.569
  436   1HD2  LEU  56          1HD2      LEU  56  -3.034   9.365  -5.335
  437   2HD2  LEU  56          2HD2      LEU  56  -2.238   8.198  -6.387
  438   3HD2  LEU  56          3HD2      LEU  56  -1.772   9.897  -6.445
  439    H    SER  57           H        SER  57   1.999  12.040  -4.856
  440    HA   SER  57           HA       SER  57   3.032  11.441  -7.361
  441   1HB   SER  57          2HB       SER  57   2.762  13.728  -5.835
  442   2HB   SER  57          1HB       SER  57   4.510  13.572  -6.001
  443    HG   SER  57           HG       SER  57   2.558  13.796  -8.031
  444    H    ASP  58           H        ASP  58   4.454  11.069  -4.216
  445    HA   ASP  58           HA       ASP  58   7.149  10.736  -5.109
  446   1HB   ASP  58          2HB       ASP  58   5.685  10.327  -2.539
  447   2HB   ASP  58          1HB       ASP  58   7.258   9.561  -2.737
  448    H    TYR  59           H        TYR  59   4.377   8.650  -4.860
  449    HA   TYR  59           HA       TYR  59   6.015   6.429  -5.885
  450   1HB   TYR  59          2HB       TYR  59   4.705   6.515  -3.324
  451   2HB   TYR  59          1HB       TYR  59   3.949   5.276  -4.319
  452    HD1  TYR  59           1HD      TYR  59   6.443   5.817  -1.985
  453    HD2  TYR  59           2HD      TYR  59   5.786   3.824  -5.686
  454    HE1  TYR  59           1HE      TYR  59   8.315   4.299  -1.493
  455    HE2  TYR  59           2HE      TYR  59   7.654   2.300  -5.204
  456    HH   TYR  59           HH       TYR  59   8.826   1.611  -2.534
  457    H    ASN  60           H        ASN  60   4.322   8.275  -7.280
  458    HA   ASN  60           HA       ASN  60   1.955   6.724  -8.009
  459   1HB   ASN  60          2HB       ASN  60   2.267   9.419  -7.667
  460   2HB   ASN  60          1HB       ASN  60   2.456   9.269  -9.408
  461   1HD2  ASN  60          1HD2      ASN  60   0.762   7.367 -10.139
  462   2HD2  ASN  60          2HD2      ASN  60  -0.865   7.779  -9.731
  463    H    ILE  61           H        ILE  61   2.443   5.203  -9.378
  464    HA   ILE  61           HA       ILE  61   4.460   5.463 -11.440
  465    HB   ILE  61           HB       ILE  61   2.500   3.189 -11.114
  466   1HG1  ILE  61          2HG1      ILE  61   5.043   2.588  -9.948
  467   2HG1  ILE  61          1HG1      ILE  61   4.431   4.066  -9.215
  468   1HG2  ILE  61          1HG2      ILE  61   5.067   3.608 -12.557
  469   2HG2  ILE  61          2HG2      ILE  61   3.601   2.777 -13.076
  470   3HG2  ILE  61          3HG2      ILE  61   4.698   2.000 -11.935
  471   1HD1  ILE  61          1HD1      ILE  61   3.647   1.353  -8.765
  472   2HD1  ILE  61          2HD1      ILE  61   2.262   2.305  -9.299
  473   3HD1  ILE  61          3HD1      ILE  61   3.189   2.813  -7.888
  474    H    GLN  62           H        GLN  62   3.792   4.637 -13.685
  475    HA   GLN  62           HA       GLN  62   2.032   6.474 -14.851
  476   1HB   GLN  62          2HB       GLN  62   3.288   3.936 -15.878
  477   2HB   GLN  62          1HB       GLN  62   2.270   4.946 -16.892
  478   1HG   GLN  62          2HG       GLN  62   4.606   6.127 -15.460
  479   2HG   GLN  62          1HG       GLN  62   4.832   5.236 -16.966
  480   1HE2  GLN  62          1HE2      GLN  62   5.296   8.047 -16.407
  481   2HE2  GLN  62          2HE2      GLN  62   4.304   8.933 -17.510
  482    H    LYS  63           H        LYS  63   0.598   4.938 -16.710
  483    HA   LYS  63           HA       LYS  63  -1.720   4.230 -15.102
  484   1HB   LYS  63          2HB       LYS  63  -2.763   3.873 -17.421
  485   2HB   LYS  63          1HB       LYS  63  -2.317   5.513 -16.972
  486   1HG   LYS  63          2HG       LYS  63  -0.826   5.683 -18.624
  487   2HG   LYS  63          1HG       LYS  63  -0.188   4.063 -18.343
  488   1HD   LYS  63          2HD       LYS  63  -1.255   3.358 -20.163
  489   2HD   LYS  63          1HD       LYS  63  -2.793   3.748 -19.391
  490   1HE   LYS  63          2HE       LYS  63  -1.802   6.196 -20.267
  491   2HE   LYS  63          1HE       LYS  63  -1.427   5.072 -21.572
  492   1HZ   LYS  63          1HZ       LYS  63  -3.558   5.885 -22.030
  493   2HZ   LYS  63          2HZ       LYS  63  -4.077   5.725 -20.428
  494   3HZ   LYS  63          3HZ       LYS  63  -3.827   4.347 -21.378
  495    H    GLU  64           H        GLU  64  -2.762   2.216 -15.141
  496    HA   GLU  64           HA       GLU  64  -2.944  -0.060 -15.205
  497   1HB   GLU  64          2HB       GLU  64  -1.300   0.513 -17.606
  498   2HB   GLU  64          1HB       GLU  64  -1.213  -1.128 -16.984
  499   1HG   GLU  64          2HG       GLU  64  -3.849  -0.855 -16.964
  500   2HG   GLU  64          1HG       GLU  64  -3.477   0.317 -18.227
  501    H    SER  65           H        SER  65  -2.076   0.020 -13.113
  502    HA   SER  65           HA       SER  65   0.390  -1.481 -12.836
  503   1HB   SER  65          2HB       SER  65   1.002   0.987 -12.776
  504   2HB   SER  65          1HB       SER  65   0.062   1.093 -11.286
  505    HG   SER  65           HG       SER  65   1.488  -0.234 -10.281
  506    H    THR  66           H        THR  66  -0.077  -3.081 -11.508
  507    HA   THR  66           HA       THR  66  -2.423  -3.089  -9.887
  508    HB   THR  66           HB       THR  66  -0.217  -5.091  -9.566
  509    HG1  THR  66           1HG      THR  66  -0.985  -6.137 -11.434
  510   1HG2  THR  66          1HG2      THR  66  -2.726  -6.282 -10.019
  511   2HG2  THR  66          2HG2      THR  66  -2.968  -4.977  -8.858
  512   3HG2  THR  66          3HG2      THR  66  -1.784  -6.241  -8.528
  513    H    LEU  67           H        LEU  67  -2.689  -2.743  -7.771
  514    HA   LEU  67           HA       LEU  67  -0.314  -1.950  -6.237
  515   1HB   LEU  67          2HB       LEU  67  -3.133  -0.998  -6.272
  516   2HB   LEU  67          1HB       LEU  67  -2.289  -0.975  -4.735
  517    HG   LEU  67           HG       LEU  67  -0.447   0.319  -6.025
  518   1HD1  LEU  67          1HD1      LEU  67  -2.799   0.530  -7.882
  519   2HD1  LEU  67          2HD1      LEU  67  -1.136   0.080  -8.259
  520   3HD1  LEU  67          3HD1      LEU  67  -1.522   1.746  -7.828
  521   1HD2  LEU  67          1HD2      LEU  67  -3.089   1.675  -5.514
  522   2HD2  LEU  67          2HD2      LEU  67  -1.485   2.405  -5.466
  523   3HD2  LEU  67          3HD2      LEU  67  -1.948   1.212  -4.251
  524    H    HIS  68           H        HIS  68   0.020  -2.816  -4.158
  525    HA   HIS  68           HA       HIS  68  -1.739  -5.090  -3.498
  526   1HB   HIS  68          2HB       HIS  68   0.720  -5.475  -4.324
  527   2HB   HIS  68          1HB       HIS  68   1.136  -5.014  -2.680
  528    HD1  HIS  68           1HD      HIS  68   1.670  -7.112  -1.483
  529    HD2  HIS  68           2HD      HIS  68  -1.688  -7.516  -3.896
  530    HE1  HIS  68           1HE      HIS  68   0.808  -9.434  -1.052
  531    HE2  HIS  68           2HE      HIS  68  -1.280  -9.620  -2.449
  532    H    LEU  69           H        LEU  69  -2.846  -4.764  -1.691
  533    HA   LEU  69           HA       LEU  69  -1.561  -3.237   0.478
  534   1HB   LEU  69          2HB       LEU  69  -3.459  -2.053  -0.685
  535   2HB   LEU  69          1HB       LEU  69  -4.520  -3.322  -0.105
  536    HG   LEU  69           HG       LEU  69  -3.164  -2.392   2.171
  537   1HD1  LEU  69          1HD1      LEU  69  -3.001  -0.378   0.283
  538   2HD1  LEU  69          2HD1      LEU  69  -2.848  -0.194   2.030
  539   3HD1  LEU  69          3HD1      LEU  69  -4.409   0.060   1.252
  540   1HD2  LEU  69          1HD2      LEU  69  -5.730  -2.983   1.396
  541   2HD2  LEU  69          2HD2      LEU  69  -5.813  -1.255   1.736
  542   3HD2  LEU  69          3HD2      LEU  69  -5.247  -2.372   2.978
  543    H    VAL  70           H        VAL  70  -1.208  -4.425   2.209
  544    HA   VAL  70           HA       VAL  70  -2.897  -6.798   2.651
  545    HB   VAL  70           HB       VAL  70  -0.116  -6.407   3.740
  546   1HG1  VAL  70          1HG1      VAL  70  -1.970  -8.768   3.536
  547   2HG1  VAL  70          2HG1      VAL  70  -1.331  -8.013   4.997
  548   3HG1  VAL  70          3HG1      VAL  70  -0.256  -8.910   3.925
  549   1HG2  VAL  70          1HG2      VAL  70  -0.215  -6.415   1.221
  550   2HG2  VAL  70          2HG2      VAL  70  -0.854  -8.055   1.332
  551   3HG2  VAL  70          3HG2      VAL  70   0.759  -7.693   1.948
  552    H    LEU  71           H        LEU  71  -3.668  -7.281   4.697
  553    HA   LEU  71           HA       LEU  71  -3.534  -5.040   6.607
  554   1HB   LEU  71          2HB       LEU  71  -5.740  -5.630   5.479
  555   2HB   LEU  71          1HB       LEU  71  -5.725  -7.097   6.439
  556    HG   LEU  71           HG       LEU  71  -5.289  -4.881   8.182
  557   1HD1  LEU  71          1HD1      LEU  71  -6.390  -3.613   6.322
  558   2HD1  LEU  71          2HD1      LEU  71  -7.233  -3.557   7.870
  559   3HD1  LEU  71          3HD1      LEU  71  -7.820  -4.611   6.584
  560   1HD2  LEU  71          1HD2      LEU  71  -6.738  -6.018   9.471
  561   2HD2  LEU  71          2HD2      LEU  71  -6.523  -7.288   8.267
  562   3HD2  LEU  71          3HD2      LEU  71  -7.911  -6.205   8.168
  563    H    ARG  72           H        ARG  72  -1.782  -5.757   7.805
  564    HA   ARG  72           HA       ARG  72  -1.904  -8.400   9.044
  565   1HB   ARG  72          2HB       ARG  72   0.230  -6.301   9.425
  566   2HB   ARG  72          1HB       ARG  72   0.349  -8.026   9.740
  567   1HG   ARG  72          2HG       ARG  72  -0.354  -7.567   6.992
  568   2HG   ARG  72          1HG       ARG  72   1.094  -6.654   7.420
  569   1HD   ARG  72          2HD       ARG  72   1.981  -8.685   6.769
  570   2HD   ARG  72          1HD       ARG  72   1.856  -8.880   8.517
  571    HE   ARG  72           HE       ARG  72  -0.411  -9.821   6.977
  572   1HH1  ARG  72          1HH1      ARG  72   2.614 -10.640   8.520
  573   2HH1  ARG  72          2HH1      ARG  72   2.236 -12.325   8.643
  574   1HH2  ARG  72          1HH2      ARG  72  -0.904 -12.035   7.138
  575   2HH2  ARG  72          2HH2      ARG  72   0.241 -13.118   7.858
  576    H    LEU  73           H        LEU  73  -2.141  -8.732  11.265
  577    HA   LEU  73           HA       LEU  73  -3.481  -6.619  12.689
  578   1HB   LEU  73          2HB       LEU  73  -3.128  -9.505  12.970
  579   2HB   LEU  73          1HB       LEU  73  -3.062  -8.661  14.505
  580    HG   LEU  73           HG       LEU  73  -5.331  -8.449  12.524
  581   1HD1  LEU  73          1HD1      LEU  73  -6.038  -9.632  15.030
  582   2HD1  LEU  73          2HD1      LEU  73  -4.711 -10.537  14.303
  583   3HD1  LEU  73          3HD1      LEU  73  -6.205 -10.286  13.401
  584   1HD2  LEU  73          1HD2      LEU  73  -6.504  -7.329  14.350
  585   2HD2  LEU  73          2HD2      LEU  73  -5.047  -6.446  13.891
  586   3HD2  LEU  73          3HD2      LEU  73  -5.056  -7.435  15.352
  587    H    ARG  74           H        ARG  74  -2.792  -5.547  14.511
  588    HA   ARG  74           HA       ARG  74  -0.069  -6.034  15.447
  589   1HB   ARG  74          2HB       ARG  74  -0.467  -4.054  13.669
  590   2HB   ARG  74          1HB       ARG  74  -0.827  -3.186  15.155
  591   1HG   ARG  74          2HG       ARG  74   1.414  -4.144  15.996
  592   2HG   ARG  74          1HG       ARG  74   1.739  -4.454  14.290
  593   1HD   ARG  74          2HD       ARG  74   0.936  -1.925  14.089
  594   2HD   ARG  74          1HD       ARG  74   1.517  -1.882  15.753
  595    HE   ARG  74           HE       ARG  74   3.390  -3.071  13.938
  596   1HH1  ARG  74          1HH1      ARG  74   2.215  -0.045  15.224
  597   2HH1  ARG  74          2HH1      ARG  74   3.689   0.805  14.903
  598   1HH2  ARG  74          1HH2      ARG  74   5.327  -1.954  13.516
  599   2HH2  ARG  74          2HH2      ARG  74   5.455  -0.277  13.933
  600    H    GLY  75           H        GLY  75  -3.002  -6.193  16.384
  601   1HA   GLY  75          2HA       GLY  75  -3.166  -4.343  18.565
  602   2HA   GLY  75          1HA       GLY  75  -4.220  -5.723  18.290
  603    H    GLY  76           H        GLY  76  -1.727  -4.449  20.157
  604   1HA   GLY  76          2HA       GLY  76  -0.262  -5.344  21.715
  605   2HA   GLY  76          1HA       GLY  76  -1.737  -6.142  22.233
  606    H    HIS  77           H        HIS  77  -0.858  -8.073  22.906
  607    HA   HIS  77           HA       HIS  77   0.283  -9.739  20.771
  608   1HB   HIS  77          2HB       HIS  77   1.663  -8.825  23.079
  609   2HB   HIS  77          1HB       HIS  77   1.379 -10.548  23.290
  610    HD1  HIS  77           1HD      HIS  77   1.824 -11.645  20.526
  611    HD2  HIS  77           2HD      HIS  77   4.200  -8.656  22.162
  612    HE1  HIS  77           1HE      HIS  77   3.993 -11.746  19.262
  613    HE2  HIS  77           2HE      HIS  77   5.390  -9.881  20.222
  614    H    HIS  78           H        HIS  78   0.153 -12.072  21.265
  615    HA   HIS  78           HA       HIS  78  -2.355 -12.665  22.661
  616   1HB   HIS  78          2HB       HIS  78  -2.398 -14.749  21.310
  617   2HB   HIS  78          1HB       HIS  78  -2.425 -13.288  20.335
  618    HD1  HIS  78           1HD      HIS  78  -1.633 -15.693  18.854
  619    HD2  HIS  78           2HD      HIS  78   1.157 -13.484  20.995
  620    HE1  HIS  78           1HE      HIS  78   0.591 -16.230  17.816
  621    HE2  HIS  78           2HE      HIS  78   2.231 -14.736  19.007
  622    H    HIS  79           H        HIS  79  -2.197 -13.522  24.600
  623    HA   HIS  79           HA       HIS  79   0.234 -14.939  25.384
  624   1HB   HIS  79          2HB       HIS  79  -1.519 -13.180  26.717
  625   2HB   HIS  79          1HB       HIS  79  -1.744 -14.749  27.481
  626    HD1  HIS  79           1HD      HIS  79  -0.541 -14.215  29.647
  627    HD2  HIS  79           2HD      HIS  79   1.782 -13.503  26.277
  628    HE1  HIS  79           1HE      HIS  79   1.781 -13.780  30.511
  629    HE2  HIS  79           2HE      HIS  79   3.150 -13.266  28.459
  630    H    HIS  80           H        HIS  80   0.251 -17.051  26.142
  631    HA   HIS  80           HA       HIS  80  -1.870 -18.732  25.122
  632   1HB   HIS  80          2HB       HIS  80   0.924 -19.063  25.907
  633   2HB   HIS  80          1HB       HIS  80  -0.096 -20.391  26.450
  634    HD1  HIS  80           1HD      HIS  80   1.355 -18.846  23.395
  635    HD2  HIS  80           2HD      HIS  80  -1.223 -21.952  24.383
  636    HE1  HIS  80           1HE      HIS  80   1.125 -20.219  21.301
  637    HE2  HIS  80           2HE      HIS  80  -0.412 -22.115  21.933
  638    H    HIS  81           H        HIS  81  -3.659 -18.889  26.330
  639    HA   HIS  81           HA       HIS  81  -3.432 -19.014  29.253
  640   1HB   HIS  81          2HB       HIS  81  -5.242 -17.750  27.524
  641   2HB   HIS  81          1HB       HIS  81  -6.147 -19.076  28.242
  642    HD1  HIS  81           1HD      HIS  81  -3.711 -17.983  30.659
  643    HD2  HIS  81           2HD      HIS  81  -7.446 -16.654  29.413
  644    HE1  HIS  81           1HE      HIS  81  -4.539 -16.487  32.498
  645    HE2  HIS  81           2HE      HIS  81  -6.833 -15.756  31.759
  646    H    HIS  82           H        HIS  82  -3.327 -20.948  30.153
  647    HA   HIS  82           HA       HIS  82  -4.089 -23.349  28.772
  648   1HB   HIS  82          2HB       HIS  82  -2.148 -23.190  30.350
  649   2HB   HIS  82          1HB       HIS  82  -3.299 -23.034  31.673
  650    HD1  HIS  82           1HD      HIS  82  -1.216 -25.396  31.295
  651    HD2  HIS  82           2HD      HIS  82  -5.268 -25.530  30.383
  652    HE1  HIS  82           1HE      HIS  82  -1.841 -27.830  31.371
  653    HE2  HIS  82           2HE      HIS  82  -4.314 -27.879  30.892
  Start of MODEL   12
    1   1H    MET   1          1HT       MET   1  -8.923   7.379 -17.490
    2   2H    MET   1          2HT       MET   1  -8.348   8.522 -16.350
    3   3H    MET   1          3HT       MET   1  -9.688   7.518 -15.963
    4    HA   MET   1           HA       MET   1  -7.469   5.976 -16.750
    5   1HB   MET   1          2HB       MET   1  -6.045   6.513 -14.791
    6   2HB   MET   1          1HB       MET   1  -6.136   7.827 -15.956
    7   1HG   MET   1          2HG       MET   1  -8.015   8.733 -14.432
    8   2HG   MET   1          1HG       MET   1  -7.339   7.635 -13.230
    9   1HE   MET   1          1HE       MET   1  -6.138  11.373 -15.066
   10   2HE   MET   1          2HE       MET   1  -6.652  11.647 -13.402
   11   3HE   MET   1          3HE       MET   1  -7.682  10.735 -14.506
   12    H    GLN   2           H        GLN   2  -6.961   4.430 -14.887
   13    HA   GLN   2           HA       GLN   2  -8.758   4.118 -12.752
   14   1HB   GLN   2          2HB       GLN   2 -10.187   3.595 -14.850
   15   2HB   GLN   2          1HB       GLN   2  -9.271   2.092 -14.907
   16   1HG   GLN   2          2HG       GLN   2 -10.061   2.204 -12.290
   17   2HG   GLN   2          1HG       GLN   2 -11.439   2.904 -13.139
   18   1HE2  GLN   2          1HE2      GLN   2 -12.743   1.620 -14.324
   19   2HE2  GLN   2          2HE2      GLN   2 -12.555  -0.093 -14.465
   20    H    ILE   3           H        ILE   3  -7.927   2.769 -11.322
   21    HA   ILE   3           HA       ILE   3  -5.795   0.914 -12.198
   22    HB   ILE   3           HB       ILE   3  -4.799   1.253  -9.906
   23   1HG1  ILE   3          2HG1      ILE   3  -6.397   3.804  -9.848
   24   2HG1  ILE   3          1HG1      ILE   3  -6.973   2.339  -9.057
   25   1HG2  ILE   3          1HG2      ILE   3  -4.894   3.428 -11.963
   26   2HG2  ILE   3          2HG2      ILE   3  -3.632   2.231 -11.669
   27   3HG2  ILE   3          3HG2      ILE   3  -3.869   3.558 -10.532
   28   1HD1  ILE   3          1HD1      ILE   3  -5.015   4.259  -8.176
   29   2HD1  ILE   3          2HD1      ILE   3  -4.359   2.622  -8.175
   30   3HD1  ILE   3          3HD1      ILE   3  -5.831   2.982  -7.274
   31    H    PHE   4           H        PHE   4  -5.347  -0.792 -10.481
   32    HA   PHE   4           HA       PHE   4  -7.919  -1.799  -9.454
   33   1HB   PHE   4          2HB       PHE   4  -5.611  -3.158 -10.766
   34   2HB   PHE   4          1HB       PHE   4  -6.459  -4.037  -9.501
   35    HD1  PHE   4           1HD      PHE   4  -6.709  -2.609 -12.859
   36    HD2  PHE   4           2HD      PHE   4  -8.709  -4.831  -9.835
   37    HE1  PHE   4           1HE      PHE   4  -8.406  -3.305 -14.497
   38    HE2  PHE   4           2HE      PHE   4 -10.410  -5.530 -11.465
   39    HZ   PHE   4           HZ       PHE   4 -10.261  -4.766 -13.801
   40    H    VAL   5           H        VAL   5  -8.017  -2.535  -7.349
   41    HA   VAL   5           HA       VAL   5  -5.572  -2.420  -5.745
   42    HB   VAL   5           HB       VAL   5  -8.140  -1.118  -4.902
   43   1HG1  VAL   5          1HG1      VAL   5  -6.860  -0.230  -3.054
   44   2HG1  VAL   5          2HG1      VAL   5  -5.400  -1.006  -3.668
   45   3HG1  VAL   5          3HG1      VAL   5  -6.747  -1.987  -3.087
   46   1HG2  VAL   5          1HG2      VAL   5  -5.975   0.739  -5.197
   47   2HG2  VAL   5          2HG2      VAL   5  -7.591   0.781  -5.900
   48   3HG2  VAL   5          3HG2      VAL   5  -6.295  -0.080  -6.723
   49    H    LYS   6           H        LYS   6  -5.447  -4.354  -4.802
   50    HA   LYS   6           HA       LYS   6  -7.872  -5.843  -4.231
   51   1HB   LYS   6          2HB       LYS   6  -5.113  -6.522  -4.792
   52   2HB   LYS   6          1HB       LYS   6  -5.688  -7.352  -3.352
   53   1HG   LYS   6          2HG       LYS   6  -7.762  -7.817  -4.979
   54   2HG   LYS   6          1HG       LYS   6  -6.468  -7.686  -6.175
   55   1HD   LYS   6          2HD       LYS   6  -5.445  -9.583  -5.474
   56   2HD   LYS   6          1HD       LYS   6  -5.884  -9.320  -3.785
   57   1HE   LYS   6          2HE       LYS   6  -6.972 -11.301  -4.874
   58   2HE   LYS   6          1HE       LYS   6  -8.081 -10.146  -4.137
   59   1HZ   LYS   6          1HZ       LYS   6  -7.440  -9.814  -6.974
   60   2HZ   LYS   6          2HZ       LYS   6  -8.882  -9.494  -6.147
   61   3HZ   LYS   6          3HZ       LYS   6  -8.472 -11.084  -6.544
   62    H    THR   7           H        THR   7  -8.796  -5.911  -2.329
   63    HA   THR   7           HA       THR   7  -7.436  -4.743  -0.036
   64    HB   THR   7           HB       THR   7  -9.573  -4.713   1.063
   65    HG1  THR   7           1HG      THR   7 -11.201  -5.692  -0.817
   66   1HG2  THR   7          1HG2      THR   7  -9.120  -3.321  -1.265
   67   2HG2  THR   7          2HG2      THR   7 -10.401  -3.013  -0.093
   68   3HG2  THR   7          3HG2      THR   7 -10.722  -4.014  -1.502
   69    H    LEU   8           H        LEU   8  -8.379  -5.970   2.139
   70    HA   LEU   8           HA       LEU   8  -6.898  -8.427   2.150
   71   1HB   LEU   8          2HB       LEU   8  -7.011  -6.782   4.049
   72   2HB   LEU   8          1HB       LEU   8  -8.659  -7.310   4.329
   73    HG   LEU   8           HG       LEU   8  -7.602  -9.680   4.530
   74   1HD1  LEU   8          1HD1      LEU   8  -5.216  -8.435   5.654
   75   2HD1  LEU   8          2HD1      LEU   8  -5.319  -8.317   3.898
   76   3HD1  LEU   8          3HD1      LEU   8  -5.387  -9.894   4.682
   77   1HD2  LEU   8          1HD2      LEU   8  -6.979  -7.776   6.760
   78   2HD2  LEU   8          2HD2      LEU   8  -7.548  -9.441   6.851
   79   3HD2  LEU   8          3HD2      LEU   8  -8.639  -8.164   6.311
   80    H    THR   9           H        THR   9 -10.187  -7.555   1.692
   81    HA   THR   9           HA       THR   9 -11.186 -10.195   2.366
   82    HB   THR   9           HB       THR   9 -13.392  -9.293   1.731
   83    HG1  THR   9           1HG      THR   9 -13.448  -7.660   0.444
   84   1HG2  THR   9          1HG2      THR   9 -11.836  -7.449   3.528
   85   2HG2  THR   9          2HG2      THR   9 -12.702  -8.908   4.011
   86   3HG2  THR   9          3HG2      THR   9 -13.592  -7.512   3.402
   87    H    GLY  10           H        GLY  10  -9.798  -8.717  -0.339
   88   1HA   GLY  10          2HA       GLY  10  -9.280 -10.003  -2.284
   89   2HA   GLY  10          1HA       GLY  10 -10.759 -10.916  -2.028
   90    H    ALA  11           H        ALA  11 -11.798  -8.013  -1.417
   91    HA   ALA  11           HA       ALA  11 -13.023  -7.655  -3.992
   92   1HB   ALA  11          1HB       ALA  11 -14.174  -7.279  -1.799
   93   2HB   ALA  11          2HB       ALA  11 -14.350  -5.972  -2.966
   94   3HB   ALA  11          3HB       ALA  11 -13.215  -5.807  -1.626
   95    H    THR  12           H        THR  12 -12.136  -6.564  -5.629
   96    HA   THR  12           HA       THR  12  -9.943  -4.770  -5.218
   97    HB   THR  12           HB       THR  12 -10.548  -4.497  -7.855
   98    HG1  THR  12           1HG      THR  12 -11.276  -6.502  -8.590
   99   1HG2  THR  12          1HG2      THR  12  -8.562  -5.435  -8.064
  100   2HG2  THR  12          2HG2      THR  12  -9.212  -7.004  -7.587
  101   3HG2  THR  12          3HG2      THR  12  -8.620  -5.883  -6.359
  102    H    ILE  13           H        ILE  13  -9.996  -2.571  -5.210
  103    HA   ILE  13           HA       ILE  13 -12.630  -1.315  -5.653
  104    HB   ILE  13           HB       ILE  13 -11.809   0.541  -4.177
  105   1HG1  ILE  13          2HG1      ILE  13  -9.788  -1.248  -2.970
  106   2HG1  ILE  13          1HG1      ILE  13  -9.370  -0.538  -4.522
  107   1HG2  ILE  13          1HG2      ILE  13 -11.652  -1.751  -2.379
  108   2HG2  ILE  13          2HG2      ILE  13 -12.993  -1.831  -3.524
  109   3HG2  ILE  13          3HG2      ILE  13 -12.830  -0.440  -2.453
  110   1HD1  ILE  13          1HD1      ILE  13  -9.738   0.762  -1.890
  111   2HD1  ILE  13          2HD1      ILE  13 -10.156   1.676  -3.340
  112   3HD1  ILE  13          3HD1      ILE  13  -8.525   1.041  -3.140
  113    H    THR  14           H        THR  14 -12.815   0.366  -6.988
  114    HA   THR  14           HA       THR  14 -10.498   1.031  -8.644
  115    HB   THR  14           HB       THR  14 -12.253   2.138 -10.104
  116    HG1  THR  14           1HG      THR  14 -14.187   2.259  -9.349
  117   1HG2  THR  14          1HG2      THR  14 -11.408  -0.231 -10.419
  118   2HG2  THR  14          2HG2      THR  14 -12.970   0.165 -11.138
  119   3HG2  THR  14          3HG2      THR  14 -12.897  -0.752  -9.633
  120    H    LEU  15           H        LEU  15  -9.441   2.916  -8.450
  121    HA   LEU  15           HA       LEU  15 -10.858   5.190  -7.279
  122   1HB   LEU  15          2HB       LEU  15  -8.683   3.688  -6.063
  123   2HB   LEU  15          1HB       LEU  15  -8.329   5.401  -6.188
  124    HG   LEU  15           HG       LEU  15 -10.502   5.863  -5.030
  125   1HD1  LEU  15          1HD1      LEU  15 -10.748   2.995  -5.335
  126   2HD1  LEU  15          2HD1      LEU  15 -11.967   4.193  -4.904
  127   3HD1  LEU  15          3HD1      LEU  15 -10.937   3.494  -3.655
  128   1HD2  LEU  15          1HD2      LEU  15  -8.920   4.123  -3.216
  129   2HD2  LEU  15          2HD2      LEU  15  -9.515   5.767  -2.979
  130   3HD2  LEU  15          3HD2      LEU  15  -8.100   5.478  -3.993
  131    H    GLU  16           H        GLU  16  -9.673   7.204  -7.454
  132    HA   GLU  16           HA       GLU  16  -8.196   7.362  -9.996
  133   1HB   GLU  16          2HB       GLU  16 -10.452   8.760  -9.146
  134   2HB   GLU  16          1HB       GLU  16  -9.134   9.905  -8.931
  135   1HG   GLU  16          2HG       GLU  16  -8.477   9.588 -11.262
  136   2HG   GLU  16          1HG       GLU  16  -9.810   8.454 -11.480
  137    H    VAL  17           H        VAL  17  -6.109   8.075  -9.971
  138    HA   VAL  17           HA       VAL  17  -4.947   8.601  -7.382
  139    HB   VAL  17           HB       VAL  17  -3.607   8.476 -10.082
  140   1HG1  VAL  17          1HG1      VAL  17  -2.411   9.481  -8.041
  141   2HG1  VAL  17          2HG1      VAL  17  -1.578   8.259  -8.999
  142   3HG1  VAL  17          3HG1      VAL  17  -2.327   7.814  -7.465
  143   1HG2  VAL  17          1HG2      VAL  17  -3.955   6.236  -8.096
  144   2HG2  VAL  17          2HG2      VAL  17  -3.188   6.148  -9.682
  145   3HG2  VAL  17          3HG2      VAL  17  -4.921   6.440  -9.558
  146    H    GLU  18           H        GLU  18  -4.102  10.431  -6.636
  147    HA   GLU  18           HA       GLU  18  -4.117  12.829  -8.356
  148   1HB   GLU  18          2HB       GLU  18  -5.160  12.436  -5.588
  149   2HB   GLU  18          1HB       GLU  18  -4.436  13.984  -5.995
  150   1HG   GLU  18          2HG       GLU  18  -6.033  13.957  -8.013
  151   2HG   GLU  18          1HG       GLU  18  -6.897  12.710  -7.116
  152    H    SER  19           H        SER  19  -2.506  14.389  -7.958
  153    HA   SER  19           HA       SER  19   0.021  13.301  -7.216
  154   1HB   SER  19          2HB       SER  19  -0.929  16.071  -7.944
  155   2HB   SER  19          1HB       SER  19   0.732  15.773  -7.436
  156    HG   SER  19           HG       SER  19   1.113  15.073  -9.368
  157    H    SER  20           H        SER  20  -2.361  15.346  -5.666
  158    HA   SER  20           HA       SER  20  -0.668  15.853  -3.358
  159   1HB   SER  20          2HB       SER  20  -2.946  17.098  -4.534
  160   2HB   SER  20          1HB       SER  20  -3.352  16.676  -2.870
  161    HG   SER  20           HG       SER  20  -1.307  18.355  -3.830
  162    H    ASP  21           H        ASP  21  -2.235  13.170  -4.210
  163    HA   ASP  21           HA       ASP  21  -3.657  12.641  -1.745
  164   1HB   ASP  21          2HB       ASP  21  -3.516  11.472  -4.371
  165   2HB   ASP  21          1HB       ASP  21  -3.268  10.225  -3.152
  166    H    THR  22           H        THR  22  -2.705  11.938   0.071
  167    HA   THR  22           HA       THR  22  -0.142  10.507  -0.181
  168    HB   THR  22           HB       THR  22   0.484  11.497   2.010
  169    HG1  THR  22           1HG      THR  22  -0.800  12.873   3.015
  170   1HG2  THR  22          1HG2      THR  22  -0.195  13.851   0.340
  171   2HG2  THR  22          2HG2      THR  22   0.889  12.630  -0.326
  172   3HG2  THR  22          3HG2      THR  22   1.300  13.449   1.180
  173    H    ILE  23           H        ILE  23   0.373   9.081   1.653
  174    HA   ILE  23           HA       ILE  23  -1.571   7.150   2.080
  175    HB   ILE  23           HB       ILE  23   0.729   7.683   3.962
  176   1HG1  ILE  23          2HG1      ILE  23   1.602   7.621   1.693
  177   2HG1  ILE  23          1HG1      ILE  23   2.017   6.123   2.517
  178   1HG2  ILE  23          1HG2      ILE  23  -0.198   5.943   5.019
  179   2HG2  ILE  23          2HG2      ILE  23   0.412   4.969   3.682
  180   3HG2  ILE  23          3HG2      ILE  23  -1.248   5.563   3.656
  181   1HD1  ILE  23          1HD1      ILE  23  -0.456   5.699   1.236
  182   2HD1  ILE  23          2HD1      ILE  23   1.114   4.991   0.853
  183   3HD1  ILE  23          3HD1      ILE  23   0.610   6.491   0.076
  184    H    ASP  24           H        ASP  24  -1.110  10.159   3.709
  185    HA   ASP  24           HA       ASP  24  -2.582   9.404   6.092
  186   1HB   ASP  24          2HB       ASP  24  -1.496  12.041   5.088
  187   2HB   ASP  24          1HB       ASP  24  -2.416  11.886   6.582
  188    H    ASN  25           H        ASN  25  -3.091  11.461   3.253
  189    HA   ASN  25           HA       ASN  25  -5.637  12.411   3.838
  190   1HB   ASN  25          2HB       ASN  25  -3.966  12.137   1.438
  191   2HB   ASN  25          1HB       ASN  25  -5.692  12.173   1.107
  192   1HD2  ASN  25          1HD2      ASN  25  -6.770  13.916   2.691
  193   2HD2  ASN  25          2HD2      ASN  25  -6.046  15.478   2.561
  194    H    VAL  26           H        VAL  26  -4.696   9.482   2.050
  195    HA   VAL  26           HA       VAL  26  -7.244   8.594   1.348
  196    HB   VAL  26           HB       VAL  26  -4.952   6.782   2.120
  197   1HG1  VAL  26          1HG1      VAL  26  -7.148   5.700   1.804
  198   2HG1  VAL  26          2HG1      VAL  26  -5.973   5.208   0.585
  199   3HG1  VAL  26          3HG1      VAL  26  -7.228   6.378   0.178
  200   1HG2  VAL  26          1HG2      VAL  26  -4.209   6.901  -0.177
  201   2HG2  VAL  26          2HG2      VAL  26  -4.238   8.522   0.514
  202   3HG2  VAL  26          3HG2      VAL  26  -5.522   8.008  -0.577
  203    H    LYS  27           H        LYS  27  -5.441   8.250   4.329
  204    HA   LYS  27           HA       LYS  27  -7.025   6.311   5.550
  205   1HB   LYS  27          2HB       LYS  27  -4.767   7.698   6.225
  206   2HB   LYS  27          1HB       LYS  27  -5.942   8.327   7.378
  207   1HG   LYS  27          2HG       LYS  27  -6.483   6.058   8.055
  208   2HG   LYS  27          1HG       LYS  27  -5.309   5.426   6.909
  209   1HD   LYS  27          2HD       LYS  27  -4.294   7.450   8.796
  210   2HD   LYS  27          1HD       LYS  27  -4.770   5.905   9.510
  211   1HE   LYS  27          2HE       LYS  27  -2.741   5.184   8.918
  212   2HE   LYS  27          1HE       LYS  27  -3.370   5.142   7.274
  213   1HZ   LYS  27          1HZ       LYS  27  -1.258   6.362   7.489
  214   2HZ   LYS  27          2HZ       LYS  27  -2.021   7.490   8.489
  215   3HZ   LYS  27          3HZ       LYS  27  -2.508   7.323   6.877
  216    H    SER  28           H        SER  28  -7.270   9.850   5.740
  217    HA   SER  28           HA       SER  28  -9.385  10.006   7.538
  218   1HB   SER  28          2HB       SER  28  -7.886  11.847   6.379
  219   2HB   SER  28          1HB       SER  28  -9.248  11.945   5.267
  220    HG   SER  28           HG       SER  28 -10.342  11.956   7.615
  221    H    LYS  29           H        LYS  29  -9.399   9.227   4.127
  222    HA   LYS  29           HA       LYS  29 -12.057   9.776   3.522
  223   1HB   LYS  29          2HB       LYS  29  -9.977   7.999   2.387
  224   2HB   LYS  29          1HB       LYS  29 -11.639   7.680   1.912
  225   1HG   LYS  29          2HG       LYS  29 -11.847  10.026   1.179
  226   2HG   LYS  29          1HG       LYS  29 -10.146  10.274   1.581
  227   1HD   LYS  29          2HD       LYS  29  -9.864   9.761  -0.605
  228   2HD   LYS  29          1HD       LYS  29  -9.924   8.109   0.011
  229   1HE   LYS  29          2HE       LYS  29 -12.540   8.527  -0.337
  230   2HE   LYS  29          1HE       LYS  29 -11.920   9.633  -1.562
  231   1HZ   LYS  29          1HZ       LYS  29 -12.357   7.382  -2.413
  232   2HZ   LYS  29          2HZ       LYS  29 -11.187   6.762  -1.361
  233   3HZ   LYS  29          3HZ       LYS  29 -10.737   7.835  -2.590
  234    H    ILE  30           H        ILE  30 -11.017   7.532   5.808
  235    HA   ILE  30           HA       ILE  30 -13.123   5.608   5.364
  236    HB   ILE  30           HB       ILE  30 -12.435   4.699   7.564
  237   1HG1  ILE  30          2HG1      ILE  30 -10.016   5.932   8.094
  238   2HG1  ILE  30          1HG1      ILE  30 -11.070   7.285   7.702
  239   1HG2  ILE  30          1HG2      ILE  30 -11.351   3.861   5.587
  240   2HG2  ILE  30          2HG2      ILE  30 -10.152   4.015   6.871
  241   3HG2  ILE  30          3HG2      ILE  30 -10.220   5.218   5.585
  242   1HD1  ILE  30          1HD1      ILE  30 -11.701   5.184   9.757
  243   2HD1  ILE  30          2HD1      ILE  30 -12.594   6.671   9.440
  244   3HD1  ILE  30          3HD1      ILE  30 -10.964   6.746  10.110
  245    H    GLN  31           H        GLN  31 -13.855   8.465   5.670
  246    HA   GLN  31           HA       GLN  31 -15.249   8.504   8.246
  247   1HB   GLN  31          2HB       GLN  31 -13.930  10.470   6.913
  248   2HB   GLN  31          1HB       GLN  31 -15.576  10.764   6.370
  249   1HG   GLN  31          2HG       GLN  31 -15.815  10.400   9.109
  250   2HG   GLN  31          1HG       GLN  31 -14.335  11.339   8.916
  251   1HE2  GLN  31          1HE2      GLN  31 -15.073  13.268   9.654
  252   2HE2  GLN  31          2HE2      GLN  31 -16.319  14.186   8.886
  253    H    ALA  32           H        ALA  32 -15.935   6.963   5.600
  254    HA   ALA  32           HA       ALA  32 -18.796   7.645   5.691
  255   1HB   ALA  32          1HB       ALA  32 -17.381   6.965   3.124
  256   2HB   ALA  32          2HB       ALA  32 -17.681   8.617   3.662
  257   3HB   ALA  32          3HB       ALA  32 -19.036   7.535   3.335
  258    H    ALA  33           H        ALA  33 -16.406   5.253   5.844
  259    HA   ALA  33           HA       ALA  33 -18.469   3.163   5.711
  260   1HB   ALA  33          1HB       ALA  33 -16.110   3.422   4.022
  261   2HB   ALA  33          2HB       ALA  33 -17.549   2.422   3.819
  262   3HB   ALA  33          3HB       ALA  33 -16.218   1.859   4.830
  263    HA   PRO  34           HA       PRO  34 -16.219   2.664   9.667
  264   1HB   PRO  34          2HB       PRO  34 -18.351   1.915  11.120
  265   2HB   PRO  34          1HB       PRO  34 -18.048   3.613  10.728
  266   1HG   PRO  34          2HG       PRO  34 -19.936   1.677   9.441
  267   2HG   PRO  34          1HG       PRO  34 -20.199   3.375   9.870
  268   1HD   PRO  34          2HD       PRO  34 -19.587   2.518   7.344
  269   2HD   PRO  34          1HD       PRO  34 -19.193   4.138   7.956
  270    H    GLY  35           H        GLY  35 -15.635   0.760  10.796
  271   1HA   GLY  35          2HA       GLY  35 -16.477  -1.661  11.105
  272   2HA   GLY  35          1HA       GLY  35 -16.337  -1.709   9.355
  273    H    ILE  36           H        ILE  36 -13.958  -0.088   9.240
  274    HA   ILE  36           HA       ILE  36 -12.017  -1.882  10.527
  275    HB   ILE  36           HB       ILE  36 -10.570  -1.601   8.484
  276   1HG1  ILE  36          2HG1      ILE  36 -11.946   0.338   7.605
  277   2HG1  ILE  36          1HG1      ILE  36 -11.512  -0.890   6.422
  278   1HG2  ILE  36          1HG2      ILE  36 -12.554  -3.119   7.210
  279   2HG2  ILE  36          2HG2      ILE  36 -12.790  -3.353   8.942
  280   3HG2  ILE  36          3HG2      ILE  36 -11.223  -3.699   8.213
  281   1HD1  ILE  36          1HD1      ILE  36 -14.117   0.012   7.297
  282   2HD1  ILE  36          2HD1      ILE  36 -13.956  -1.742   7.371
  283   3HD1  ILE  36          3HD1      ILE  36 -13.655  -0.891   5.857
  284    HA   PRO  37           HA       PRO  37 -10.133   1.853  11.936
  285   1HB   PRO  37          2HB       PRO  37  -7.605   0.870  12.341
  286   2HB   PRO  37          1HB       PRO  37  -8.948   0.629  13.467
  287   1HG   PRO  37          2HG       PRO  37  -7.856  -1.215  11.400
  288   2HG   PRO  37          1HG       PRO  37  -8.419  -1.585  13.030
  289   1HD   PRO  37          2HD       PRO  37  -9.881  -2.071  10.821
  290   2HD   PRO  37          1HD       PRO  37 -10.620  -1.631  12.373
  291    HA   PRO  38           HA       PRO  38  -8.006   3.511   8.456
  292   1HB   PRO  38          2HB       PRO  38  -6.863   5.670   9.551
  293   2HB   PRO  38          1HB       PRO  38  -8.616   5.499   9.448
  294   1HG   PRO  38          2HG       PRO  38  -6.792   5.083  11.773
  295   2HG   PRO  38          1HG       PRO  38  -8.392   5.843  11.725
  296   1HD   PRO  38          2HD       PRO  38  -7.901   3.247  12.524
  297   2HD   PRO  38          1HD       PRO  38  -9.464   3.849  11.942
  298    H    ASP  39           H        ASP  39  -5.923   3.127  11.301
  299    HA   ASP  39           HA       ASP  39  -3.473   3.346   9.820
  300   1HB   ASP  39          2HB       ASP  39  -4.275   3.315  12.578
  301   2HB   ASP  39          1HB       ASP  39  -2.986   2.139  12.332
  302    H    GLN  40           H        GLN  40  -5.720   0.908  10.186
  303    HA   GLN  40           HA       GLN  40  -3.825  -1.285  10.184
  304   1HB   GLN  40          2HB       GLN  40  -6.401  -0.962  11.069
  305   2HB   GLN  40          1HB       GLN  40  -6.618  -1.911   9.609
  306   1HG   GLN  40          2HG       GLN  40  -5.055  -3.581  10.486
  307   2HG   GLN  40          1HG       GLN  40  -4.869  -2.626  11.956
  308   1HE2  GLN  40          1HE2      GLN  40  -7.228  -4.341   9.987
  309   2HE2  GLN  40          2HE2      GLN  40  -8.295  -4.750  11.281
  310    H    GLN  41           H        GLN  41  -4.571   0.829   7.893
  311    HA   GLN  41           HA       GLN  41  -4.587  -1.246   5.799
  312   1HB   GLN  41          2HB       GLN  41  -6.301   1.066   6.144
  313   2HB   GLN  41          1HB       GLN  41  -5.445   1.149   4.611
  314   1HG   GLN  41          2HG       GLN  41  -6.497  -0.685   3.762
  315   2HG   GLN  41          1HG       GLN  41  -6.752  -1.413   5.345
  316   1HE2  GLN  41          1HE2      GLN  41  -8.910  -1.813   5.010
  317   2HE2  GLN  41          2HE2      GLN  41 -10.098  -0.562   4.932
  318    H    GLU  42           H        GLU  42  -2.907  -1.259   4.478
  319    HA   GLU  42           HA       GLU  42  -1.395   1.152   3.937
  320   1HB   GLU  42          2HB       GLU  42  -0.500  -0.841   5.861
  321   2HB   GLU  42          1HB       GLU  42   0.664  -0.614   4.561
  322   1HG   GLU  42          2HG       GLU  42   0.216   1.938   5.099
  323   2HG   GLU  42          1HG       GLU  42  -0.230   1.273   6.670
  324    H    LEU  43           H        LEU  43   0.102   0.928   2.170
  325    HA   LEU  43           HA       LEU  43  -0.627  -1.269   0.377
  326   1HB   LEU  43          2HB       LEU  43  -0.247   1.470   0.001
  327   2HB   LEU  43          1HB       LEU  43   1.190   0.740  -0.679
  328    HG   LEU  43           HG       LEU  43  -1.596  -0.094  -1.469
  329   1HD1  LEU  43          1HD1      LEU  43  -1.503   1.375  -3.313
  330   2HD1  LEU  43          2HD1      LEU  43   0.186   1.778  -3.004
  331   3HD1  LEU  43          3HD1      LEU  43  -1.070   2.343  -1.903
  332   1HD2  LEU  43          1HD2      LEU  43  -0.621  -1.334  -3.145
  333   2HD2  LEU  43          2HD2      LEU  43   0.568  -1.522  -1.856
  334   3HD2  LEU  43          3HD2      LEU  43   0.852  -0.365  -3.155
  335    H    ILE  44           H        ILE  44   0.897  -2.744  -0.333
  336    HA   ILE  44           HA       ILE  44   3.674  -2.387   0.505
  337    HB   ILE  44           HB       ILE  44   2.174  -4.892   1.269
  338   1HG1  ILE  44          2HG1      ILE  44   3.254  -2.931   3.266
  339   2HG1  ILE  44          1HG1      ILE  44   1.662  -2.668   2.566
  340   1HG2  ILE  44          1HG2      ILE  44   4.133  -5.766   1.950
  341   2HG2  ILE  44          2HG2      ILE  44   4.750  -4.213   2.516
  342   3HG2  ILE  44          3HG2      ILE  44   4.817  -4.617   0.802
  343   1HD1  ILE  44          1HD1      ILE  44   2.541  -4.600   4.563
  344   2HD1  ILE  44          2HD1      ILE  44   1.514  -5.274   3.300
  345   3HD1  ILE  44          3HD1      ILE  44   0.945  -3.910   4.265
  346    H    PHE  45           H        PHE  45   5.124  -3.237  -0.920
  347    HA   PHE  45           HA       PHE  45   4.076  -4.611  -3.263
  348   1HB   PHE  45          2HB       PHE  45   6.270  -2.892  -2.754
  349   2HB   PHE  45          1HB       PHE  45   6.944  -4.441  -3.245
  350    HD1  PHE  45           1HD      PHE  45   3.963  -2.462  -4.309
  351    HD2  PHE  45           2HD      PHE  45   7.577  -4.400  -5.442
  352    HE1  PHE  45           1HE      PHE  45   3.523  -1.895  -6.663
  353    HE2  PHE  45           2HE      PHE  45   7.146  -3.840  -7.800
  354    HZ   PHE  45           HZ       PHE  45   5.114  -2.587  -8.414
  355    H    ALA  46           H        ALA  46   4.149  -5.948  -0.570
  356    HA   ALA  46           HA       ALA  46   4.537  -8.036   0.255
  357   1HB   ALA  46          1HB       ALA  46   3.843  -8.839  -1.940
  358   2HB   ALA  46          2HB       ALA  46   5.150  -9.833  -1.294
  359   3HB   ALA  46          3HB       ALA  46   5.485  -8.640  -2.549
  360    H    GLY  47           H        GLY  47   7.199  -7.410  -2.039
  361   1HA   GLY  47          2HA       GLY  47   9.119  -8.041   0.106
  362   2HA   GLY  47          1HA       GLY  47   9.469  -8.066  -1.620
  363    H    LYS  48           H        LYS  48   7.714  -5.412  -1.549
  364    HA   LYS  48           HA       LYS  48   9.933  -3.666  -0.672
  365   1HB   LYS  48          2HB       LYS  48   8.827  -3.927  -3.267
  366   2HB   LYS  48          1HB       LYS  48   8.263  -2.386  -2.639
  367   1HG   LYS  48          2HG       LYS  48  11.155  -3.161  -2.521
  368   2HG   LYS  48          1HG       LYS  48  10.447  -2.424  -3.960
  369   1HD   LYS  48          2HD       LYS  48   9.770  -1.025  -1.486
  370   2HD   LYS  48          1HD       LYS  48  11.502  -1.063  -1.817
  371   1HE   LYS  48          2HE       LYS  48   9.414  -0.190  -3.810
  372   2HE   LYS  48          1HE       LYS  48  10.313   0.914  -2.770
  373   1HZ   LYS  48          1HZ       LYS  48  11.396  -0.841  -4.898
  374   2HZ   LYS  48          2HZ       LYS  48  12.374  -0.037  -3.776
  375   3HZ   LYS  48          3HZ       LYS  48  11.411   0.849  -4.848
  376    H    GLN  49           H        GLN  49   9.292  -2.705   1.157
  377    HA   GLN  49           HA       GLN  49   6.479  -2.209   1.651
  378   1HB   GLN  49          2HB       GLN  49   8.821  -2.650   3.237
  379   2HB   GLN  49          1HB       GLN  49   8.071  -1.139   3.733
  380   1HG   GLN  49          2HG       GLN  49   5.885  -2.497   3.788
  381   2HG   GLN  49          1HG       GLN  49   6.943  -3.907   3.784
  382   1HE2  GLN  49          1HE2      GLN  49   8.261  -4.306   5.563
  383   2HE2  GLN  49          2HE2      GLN  49   8.000  -3.542   7.089
  384    H    LEU  50           H        LEU  50   5.473  -0.299   1.538
  385    HA   LEU  50           HA       LEU  50   6.953   1.974   0.526
  386   1HB   LEU  50          2HB       LEU  50   3.999   1.754   1.093
  387   2HB   LEU  50          1HB       LEU  50   4.798   2.961   0.102
  388    HG   LEU  50           HG       LEU  50   4.424   0.037  -0.515
  389   1HD1  LEU  50          1HD1      LEU  50   3.374   2.605  -1.637
  390   2HD1  LEU  50          2HD1      LEU  50   2.501   1.161  -1.138
  391   3HD1  LEU  50          3HD1      LEU  50   3.445   1.142  -2.622
  392   1HD2  LEU  50          1HD2      LEU  50   5.590   0.826  -2.715
  393   2HD2  LEU  50          2HD2      LEU  50   6.553   0.326  -1.325
  394   3HD2  LEU  50          3HD2      LEU  50   6.311   2.041  -1.659
  395    H    GLU  51           H        GLU  51   6.988   4.013   1.462
  396    HA   GLU  51           HA       GLU  51   6.921   3.979   4.372
  397   1HB   GLU  51          2HB       GLU  51   8.149   5.711   2.285
  398   2HB   GLU  51          1HB       GLU  51   7.797   6.440   3.846
  399   1HG   GLU  51          2HG       GLU  51   9.154   3.857   4.016
  400   2HG   GLU  51          1HG       GLU  51  10.087   5.115   3.205
  401    H    ASP  52           H        ASP  52   5.201   4.614   5.461
  402    HA   ASP  52           HA       ASP  52   2.879   5.676   4.365
  403   1HB   ASP  52          2HB       ASP  52   3.888   5.793   7.213
  404   2HB   ASP  52          1HB       ASP  52   2.248   6.209   6.725
  405    H    GLY  53           H        GLY  53   5.764   7.292   5.454
  406   1HA   GLY  53          2HA       GLY  53   4.519   9.906   5.569
  407   2HA   GLY  53          1HA       GLY  53   6.232   9.557   5.747
  408    H    ARG  54           H        ARG  54   5.149   7.989   3.006
  409    HA   ARG  54           HA       ARG  54   6.370  10.013   1.323
  410   1HB   ARG  54          2HB       ARG  54   6.591   7.327   1.311
  411   2HB   ARG  54          1HB       ARG  54   5.297   7.519   0.135
  412   1HG   ARG  54          2HG       ARG  54   6.937   7.774  -1.354
  413   2HG   ARG  54          1HG       ARG  54   7.097   9.400  -0.688
  414   1HD   ARG  54          2HD       ARG  54   8.802   8.614   0.859
  415   2HD   ARG  54          1HD       ARG  54   8.626   6.973   0.246
  416    HE   ARG  54           HE       ARG  54   9.401   7.909  -1.939
  417   1HH1  ARG  54          1HH1      ARG  54  10.285   9.461   1.070
  418   2HH1  ARG  54          2HH1      ARG  54  11.725  10.163   0.419
  419   1HH2  ARG  54          1HH2      ARG  54  11.296   8.819  -2.776
  420   2HH2  ARG  54          2HH2      ARG  54  12.300   9.798  -1.762
  421    H    THR  55           H        THR  55   5.375  10.649  -0.724
  422    HA   THR  55           HA       THR  55   2.454  10.852  -0.462
  423    HB   THR  55           HB       THR  55   2.622  12.883  -1.851
  424    HG1  THR  55           1HG      THR  55   4.380  12.820  -3.039
  425   1HG2  THR  55          1HG2      THR  55   2.915  14.124  -0.052
  426   2HG2  THR  55          2HG2      THR  55   4.630  13.713   0.019
  427   3HG2  THR  55          3HG2      THR  55   3.440  12.673   0.800
  428    H    LEU  56           H        LEU  56   1.342  11.193  -2.706
  429    HA   LEU  56           HA       LEU  56   1.822   8.835  -4.183
  430   1HB   LEU  56          2HB       LEU  56  -0.171  10.846  -4.104
  431   2HB   LEU  56          1HB       LEU  56   0.340  10.671  -5.770
  432    HG   LEU  56           HG       LEU  56  -0.458   8.329  -4.057
  433   1HD1  LEU  56          1HD1      LEU  56  -2.293   9.271  -6.137
  434   2HD1  LEU  56          2HD1      LEU  56  -2.162  10.299  -4.726
  435   3HD1  LEU  56          3HD1      LEU  56  -2.626   8.607  -4.540
  436   1HD2  LEU  56          1HD2      LEU  56   0.990   7.972  -6.065
  437   2HD2  LEU  56          2HD2      LEU  56  -0.323   8.616  -7.050
  438   3HD2  LEU  56          3HD2      LEU  56  -0.563   7.138  -6.117
  439    H    SER  57           H        SER  57   2.257  12.240  -5.103
  440    HA   SER  57           HA       SER  57   3.346  11.827  -7.615
  441   1HB   SER  57          2HB       SER  57   2.654  14.036  -6.664
  442   2HB   SER  57          1HB       SER  57   4.129  14.036  -5.698
  443    HG   SER  57           HG       SER  57   4.035  15.107  -7.922
  444    H    ASP  58           H        ASP  58   4.791  11.543  -4.478
  445    HA   ASP  58           HA       ASP  58   7.511  11.495  -5.347
  446   1HB   ASP  58          2HB       ASP  58   6.468  11.870  -2.953
  447   2HB   ASP  58          1HB       ASP  58   6.636  10.121  -2.836
  448    H    TYR  59           H        TYR  59   4.953   9.158  -5.254
  449    HA   TYR  59           HA       TYR  59   6.820   7.131  -6.279
  450   1HB   TYR  59          2HB       TYR  59   5.370   7.019  -3.781
  451   2HB   TYR  59          1HB       TYR  59   4.853   5.714  -4.843
  452    HD1  TYR  59           1HD      TYR  59   7.917   7.308  -3.444
  453    HD2  TYR  59           2HD      TYR  59   6.137   3.772  -5.005
  454    HE1  TYR  59           1HE      TYR  59   9.946   6.040  -2.872
  455    HE2  TYR  59           2HE      TYR  59   8.160   2.496  -4.432
  456    HH   TYR  59           HH       TYR  59  10.893   3.458  -4.060
  457    H    ASN  60           H        ASN  60   5.039   8.881  -7.663
  458    HA   ASN  60           HA       ASN  60   2.796   7.238  -8.535
  459   1HB   ASN  60          2HB       ASN  60   2.544   9.704  -8.075
  460   2HB   ASN  60          1HB       ASN  60   3.568  10.008  -9.474
  461   1HD2  ASN  60          1HD2      ASN  60   0.489   9.987  -8.516
  462   2HD2  ASN  60          2HD2      ASN  60  -0.304   9.591  -9.997
  463    H    ILE  61           H        ILE  61   3.498   5.688  -9.802
  464    HA   ILE  61           HA       ILE  61   5.456   6.131 -11.933
  465    HB   ILE  61           HB       ILE  61   4.034   3.539 -11.285
  466   1HG1  ILE  61          2HG1      ILE  61   6.598   3.532 -10.097
  467   2HG1  ILE  61          1HG1      ILE  61   5.823   5.031  -9.597
  468   1HG2  ILE  61          1HG2      ILE  61   6.654   4.193 -12.620
  469   2HG2  ILE  61          2HG2      ILE  61   5.260   3.359 -13.309
  470   3HG2  ILE  61          3HG2      ILE  61   6.223   2.572 -12.067
  471   1HD1  ILE  61          1HD1      ILE  61   3.989   3.844  -8.656
  472   2HD1  ILE  61          2HD1      ILE  61   5.481   3.120  -8.058
  473   3HD1  ILE  61          3HD1      ILE  61   4.561   2.319  -9.333
  474    H    GLN  62           H        GLN  62   4.740   4.702 -14.006
  475    HA   GLN  62           HA       GLN  62   2.615   6.140 -15.217
  476   1HB   GLN  62          2HB       GLN  62   4.205   3.738 -16.102
  477   2HB   GLN  62          1HB       GLN  62   2.963   4.478 -17.105
  478   1HG   GLN  62          2HG       GLN  62   4.444   6.643 -16.459
  479   2HG   GLN  62          1HG       GLN  62   5.681   5.385 -16.472
  480   1HE2  GLN  62          1HE2      GLN  62   6.635   5.101 -18.333
  481   2HE2  GLN  62          2HE2      GLN  62   5.958   5.408 -19.893
  482    H    LYS  63           H        LYS  63   0.546   5.750 -15.297
  483    HA   LYS  63           HA       LYS  63  -0.897   4.080 -13.749
  484   1HB   LYS  63          2HB       LYS  63  -1.460   5.365 -16.373
  485   2HB   LYS  63          1HB       LYS  63  -2.608   4.165 -15.793
  486   1HG   LYS  63          2HG       LYS  63  -3.410   6.260 -15.070
  487   2HG   LYS  63          1HG       LYS  63  -2.725   5.474 -13.646
  488   1HD   LYS  63          2HD       LYS  63  -1.857   7.599 -13.453
  489   2HD   LYS  63          1HD       LYS  63  -0.564   6.777 -14.322
  490   1HE   LYS  63          2HE       LYS  63  -1.138   9.013 -15.246
  491   2HE   LYS  63          1HE       LYS  63  -1.294   7.698 -16.411
  492   1HZ   LYS  63          1HZ       LYS  63  -3.496   7.998 -16.576
  493   2HZ   LYS  63          2HZ       LYS  63  -3.179   9.541 -15.959
  494   3HZ   LYS  63          3HZ       LYS  63  -3.701   8.308 -14.924
  495    H    GLU  64           H        GLU  64  -2.358   2.240 -14.388
  496    HA   GLU  64           HA       GLU  64  -2.717   0.094 -15.105
  497   1HB   GLU  64          2HB       GLU  64  -0.605   0.759 -17.168
  498   2HB   GLU  64          1HB       GLU  64  -1.537  -0.730 -17.132
  499   1HG   GLU  64          2HG       GLU  64  -2.668   2.039 -17.443
  500   2HG   GLU  64          1HG       GLU  64  -2.448   0.858 -18.735
  501    H    SER  65           H        SER  65  -1.865  -0.369 -13.025
  502    HA   SER  65           HA       SER  65   0.243  -2.282 -13.086
  503   1HB   SER  65          2HB       SER  65   1.406   0.018 -12.847
  504   2HB   SER  65          1HB       SER  65   0.725   0.040 -11.221
  505    HG   SER  65           HG       SER  65   1.758  -2.168 -11.103
  506    H    THR  66           H        THR  66  -0.187  -3.793 -11.608
  507    HA   THR  66           HA       THR  66  -2.539  -3.585 -10.030
  508    HB   THR  66           HB       THR  66  -0.453  -5.711  -9.635
  509    HG1  THR  66           1HG      THR  66  -0.811  -5.438 -11.899
  510   1HG2  THR  66          1HG2      THR  66  -3.399  -6.156  -9.820
  511   2HG2  THR  66          2HG2      THR  66  -2.676  -5.581  -8.317
  512   3HG2  THR  66          3HG2      THR  66  -2.165  -7.120  -9.012
  513    H    LEU  67           H        LEU  67  -2.839  -3.292  -7.877
  514    HA   LEU  67           HA       LEU  67  -0.472  -2.405  -6.381
  515   1HB   LEU  67          2HB       LEU  67  -3.330  -1.544  -6.366
  516   2HB   LEU  67          1HB       LEU  67  -2.418  -1.418  -4.876
  517    HG   LEU  67           HG       LEU  67  -1.678  -0.090  -7.489
  518   1HD1  LEU  67          1HD1      LEU  67  -2.360   1.540  -5.149
  519   2HD1  LEU  67          2HD1      LEU  67  -3.706   0.632  -5.837
  520   3HD1  LEU  67          3HD1      LEU  67  -2.787   1.749  -6.847
  521   1HD2  LEU  67          1HD2      LEU  67  -0.498   0.459  -4.782
  522   2HD2  LEU  67          2HD2      LEU  67   0.104   0.941  -6.367
  523   3HD2  LEU  67          3HD2      LEU  67   0.189  -0.747  -5.867
  524    H    HIS  68           H        HIS  68  -0.124  -3.157  -4.248
  525    HA   HIS  68           HA       HIS  68  -1.773  -5.492  -3.508
  526   1HB   HIS  68          2HB       HIS  68   0.922  -5.457  -4.156
  527   2HB   HIS  68          1HB       HIS  68   0.916  -5.456  -2.400
  528    HD1  HIS  68           1HD      HIS  68  -0.635  -7.442  -1.318
  529    HD2  HIS  68           2HD      HIS  68   0.658  -7.917  -5.238
  530    HE1  HIS  68           1HE      HIS  68  -0.862  -9.897  -1.806
  531    HE2  HIS  68           2HE      HIS  68   0.037 -10.177  -4.144
  532    H    LEU  69           H        LEU  69  -2.931  -5.114  -1.709
  533    HA   LEU  69           HA       LEU  69  -1.725  -3.406   0.378
  534   1HB   LEU  69          2HB       LEU  69  -3.846  -2.612  -0.890
  535   2HB   LEU  69          1HB       LEU  69  -4.683  -3.832   0.051
  536    HG   LEU  69           HG       LEU  69  -3.272  -2.429   1.964
  537   1HD1  LEU  69          1HD1      LEU  69  -2.725  -0.739   0.225
  538   2HD1  LEU  69          2HD1      LEU  69  -3.649  -0.097   1.583
  539   3HD1  LEU  69          3HD1      LEU  69  -4.455  -0.428   0.050
  540   1HD2  LEU  69          1HD2      LEU  69  -5.615  -1.326   2.278
  541   2HD2  LEU  69          2HD2      LEU  69  -5.402  -3.058   2.524
  542   3HD2  LEU  69          3HD2      LEU  69  -6.095  -2.459   1.016
  543    H    VAL  70           H        VAL  70  -1.183  -4.513   2.144
  544    HA   VAL  70           HA       VAL  70  -2.696  -6.959   2.774
  545    HB   VAL  70           HB       VAL  70   0.125  -6.394   3.661
  546   1HG1  VAL  70          1HG1      VAL  70  -1.542  -8.902   3.605
  547   2HG1  VAL  70          2HG1      VAL  70  -1.045  -7.994   5.034
  548   3HG1  VAL  70          3HG1      VAL  70   0.161  -8.828   4.055
  549   1HG2  VAL  70          1HG2      VAL  70  -0.671  -6.890   1.041
  550   2HG2  VAL  70          2HG2      VAL  70  -0.133  -8.455   1.646
  551   3HG2  VAL  70          3HG2      VAL  70   0.954  -7.066   1.704
  552    H    LEU  71           H        LEU  71  -3.116  -7.463   4.976
  553    HA   LEU  71           HA       LEU  71  -2.913  -5.156   6.801
  554   1HB   LEU  71          2HB       LEU  71  -5.240  -5.752   5.808
  555   2HB   LEU  71          1HB       LEU  71  -5.186  -7.106   6.921
  556    HG   LEU  71           HG       LEU  71  -4.681  -4.397   8.028
  557   1HD1  LEU  71          1HD1      LEU  71  -7.405  -4.702   8.297
  558   2HD1  LEU  71          2HD1      LEU  71  -7.112  -5.160   6.623
  559   3HD1  LEU  71          3HD1      LEU  71  -6.592  -3.580   7.210
  560   1HD2  LEU  71          1HD2      LEU  71  -6.476  -6.431   9.234
  561   2HD2  LEU  71          2HD2      LEU  71  -5.322  -5.342  10.002
  562   3HD2  LEU  71          3HD2      LEU  71  -4.749  -6.786   9.175
  563    H    ARG  72           H        ARG  72  -1.086  -5.995   7.841
  564    HA   ARG  72           HA       ARG  72  -1.192  -8.664   8.975
  565   1HB   ARG  72          2HB       ARG  72   0.916  -7.680   8.053
  566   2HB   ARG  72          1HB       ARG  72   0.901  -6.516   9.372
  567   1HG   ARG  72          2HG       ARG  72   0.744  -8.730  10.822
  568   2HG   ARG  72          1HG       ARG  72   1.530  -9.412   9.396
  569   1HD   ARG  72          2HD       ARG  72   2.887  -7.026   9.914
  570   2HD   ARG  72          1HD       ARG  72   2.626  -7.761  11.495
  571    HE   ARG  72           HE       ARG  72   4.030  -9.498  10.906
  572   1HH1  ARG  72          1HH1      ARG  72   3.434  -7.456   8.131
  573   2HH1  ARG  72          2HH1      ARG  72   4.694  -8.171   7.183
  574   1HH2  ARG  72          1HH2      ARG  72   5.686 -10.431   9.657
  575   2HH2  ARG  72          2HH2      ARG  72   5.973  -9.855   8.049
  576    H    LEU  73           H        LEU  73  -1.181  -9.119  11.247
  577    HA   LEU  73           HA       LEU  73  -2.625  -7.135  12.793
  578   1HB   LEU  73          2HB       LEU  73  -1.862 -10.006  13.280
  579   2HB   LEU  73          1HB       LEU  73  -2.582  -9.013  14.533
  580    HG   LEU  73           HG       LEU  73  -3.968  -9.259  11.895
  581   1HD1  LEU  73          1HD1      LEU  73  -3.236 -11.540  13.064
  582   2HD1  LEU  73          2HD1      LEU  73  -4.789 -11.338  12.253
  583   3HD1  LEU  73          3HD1      LEU  73  -4.687 -11.199  14.006
  584   1HD2  LEU  73          1HD2      LEU  73  -5.953  -9.078  13.408
  585   2HD2  LEU  73          2HD2      LEU  73  -4.889  -7.671  13.417
  586   3HD2  LEU  73          3HD2      LEU  73  -4.832  -8.827  14.748
  587    H    ARG  74           H        ARG  74  -1.888  -6.109  14.603
  588    HA   ARG  74           HA       ARG  74   0.803  -6.671  15.558
  589   1HB   ARG  74          2HB       ARG  74   0.043  -4.306  14.008
  590   2HB   ARG  74          1HB       ARG  74   0.833  -3.922  15.531
  591   1HG   ARG  74          2HG       ARG  74   2.100  -6.009  13.863
  592   2HG   ARG  74          1HG       ARG  74   2.170  -4.348  13.269
  593   1HD   ARG  74          2HD       ARG  74   2.974  -3.752  15.634
  594   2HD   ARG  74          1HD       ARG  74   3.264  -5.480  15.821
  595    HE   ARG  74           HE       ARG  74   5.037  -5.329  14.353
  596   1HH1  ARG  74          1HH1      ARG  74   3.279  -2.310  14.402
  597   2HH1  ARG  74          2HH1      ARG  74   4.501  -1.444  13.534
  598   1HH2  ARG  74          1HH2      ARG  74   6.641  -4.194  13.220
  599   2HH2  ARG  74          2HH2      ARG  74   6.415  -2.513  12.866
  600    H    GLY  75           H        GLY  75  -2.147  -6.647  16.454
  601   1HA   GLY  75          2HA       GLY  75  -2.107  -4.749  18.645
  602   2HA   GLY  75          1HA       GLY  75  -3.397  -5.880  18.262
  603    H    GLY  76           H        GLY  76  -3.627  -6.539  20.389
  604   1HA   GLY  76          2HA       GLY  76  -1.346  -7.694  21.788
  605   2HA   GLY  76          1HA       GLY  76  -2.973  -7.499  22.424
  606    H    HIS  77           H        HIS  77  -0.941  -9.818  22.086
  607    HA   HIS  77           HA       HIS  77  -2.398 -11.713  20.476
  608   1HB   HIS  77          2HB       HIS  77   0.180 -11.580  21.011
  609   2HB   HIS  77          1HB       HIS  77  -0.273 -12.536  22.416
  610    HD1  HIS  77           1HD      HIS  77  -2.278 -13.311  19.438
  611    HD2  HIS  77           2HD      HIS  77   1.301 -14.596  21.117
  612    HE1  HIS  77           1HE      HIS  77  -1.749 -15.495  18.309
  613    HE2  HIS  77           2HE      HIS  77   0.398 -16.274  19.369
  614    H    HIS  78           H        HIS  78  -2.866 -13.921  21.490
  615    HA   HIS  78           HA       HIS  78  -3.882 -13.746  24.222
  616   1HB   HIS  78          2HB       HIS  78  -6.076 -14.678  23.518
  617   2HB   HIS  78          1HB       HIS  78  -5.786 -13.063  22.881
  618    HD1  HIS  78           1HD      HIS  78  -5.069 -12.963  20.298
  619    HD2  HIS  78           2HD      HIS  78  -6.606 -16.587  21.628
  620    HE1  HIS  78           1HE      HIS  78  -5.692 -14.233  18.219
  621    HE2  HIS  78           2HE      HIS  78  -6.667 -16.402  19.048
  622    H    HIS  79           H        HIS  79  -3.275 -15.512  25.292
  623    HA   HIS  79           HA       HIS  79  -2.191 -17.776  23.887
  624   1HB   HIS  79          2HB       HIS  79  -2.578 -17.213  26.830
  625   2HB   HIS  79          1HB       HIS  79  -1.817 -18.673  26.207
  626    HD1  HIS  79           1HD      HIS  79  -1.200 -15.063  26.820
  627    HD2  HIS  79           2HD      HIS  79   0.742 -18.289  25.064
  628    HE1  HIS  79           1HE      HIS  79   1.182 -14.322  26.504
  629    HE2  HIS  79           2HE      HIS  79   2.359 -16.323  25.524
  630    H    HIS  80           H        HIS  80  -2.990 -19.841  23.765
  631    HA   HIS  80           HA       HIS  80  -5.805 -20.161  23.759
  632   1HB   HIS  80          2HB       HIS  80  -3.624 -21.534  22.707
  633   2HB   HIS  80          1HB       HIS  80  -4.324 -22.670  23.853
  634    HD1  HIS  80           1HD      HIS  80  -7.328 -21.859  23.364
  635    HD2  HIS  80           2HD      HIS  80  -4.539 -22.712  20.405
  636    HE1  HIS  80           1HE      HIS  80  -8.672 -22.558  21.358
  637    HE2  HIS  80           2HE      HIS  80  -6.966 -23.010  19.560
  638    H    HIS  81           H        HIS  81  -7.181 -20.929  25.257
  639    HA   HIS  81           HA       HIS  81  -6.151 -21.430  27.938
  640   1HB   HIS  81          2HB       HIS  81  -8.088 -19.927  27.591
  641   2HB   HIS  81          1HB       HIS  81  -9.012 -21.287  26.958
  642    HD1  HIS  81           1HD      HIS  81 -10.711 -20.880  28.931
  643    HD2  HIS  81           2HD      HIS  81  -6.904 -22.069  30.101
  644    HE1  HIS  81           1HE      HIS  81 -10.934 -21.586  31.334
  645    HE2  HIS  81           2HE      HIS  81  -8.631 -22.358  32.003
  646    H    HIS  82           H        HIS  82  -5.704 -23.444  28.607
  647    HA   HIS  82           HA       HIS  82  -6.674 -25.738  27.141
  648   1HB   HIS  82          2HB       HIS  82  -4.331 -25.422  28.205
  649   2HB   HIS  82          1HB       HIS  82  -5.120 -25.875  29.712
  650    HD1  HIS  82           1HD      HIS  82  -5.455 -28.325  30.129
  651    HD2  HIS  82           2HD      HIS  82  -4.409 -27.509  26.190
  652    HE1  HIS  82           1HE      HIS  82  -5.045 -30.567  29.065
  653    HE2  HIS  82           2HE      HIS  82  -4.390 -30.048  26.686
  Start of MODEL   13
    1   1H    MET   1          1HT       MET   1  -7.762   9.200 -13.917
    2   2H    MET   1          2HT       MET   1  -8.971   8.422 -14.856
    3   3H    MET   1          3HT       MET   1  -7.675   9.243 -15.629
    4    HA   MET   1           HA       MET   1  -6.846   7.217 -15.795
    5   1HB   MET   1          2HB       MET   1  -5.824   8.715 -13.701
    6   2HB   MET   1          1HB       MET   1  -6.068   7.132 -12.972
    7   1HG   MET   1          2HG       MET   1  -4.631   6.085 -14.492
    8   2HG   MET   1          1HG       MET   1  -4.624   7.478 -15.571
    9   1HE   MET   1          1HE       MET   1  -1.235   6.410 -13.720
   10   2HE   MET   1          2HE       MET   1  -1.331   7.404 -15.172
   11   3HE   MET   1          3HE       MET   1  -2.349   5.973 -15.016
   12    H    GLN   2           H        GLN   2  -6.382   5.082 -14.329
   13    HA   GLN   2           HA       GLN   2  -8.586   4.204 -12.759
   14   1HB   GLN   2          2HB       GLN   2  -8.921   4.003 -15.544
   15   2HB   GLN   2          1HB       GLN   2  -8.557   2.376 -14.984
   16   1HG   GLN   2          2HG       GLN   2 -10.699   4.131 -13.816
   17   2HG   GLN   2          1HG       GLN   2 -10.978   2.919 -15.063
   18   1HE2  GLN   2          1HE2      GLN   2  -9.115   2.988 -12.048
   19   2HE2  GLN   2          2HE2      GLN   2  -9.811   1.574 -11.367
   20    H    ILE   3           H        ILE   3  -7.686   2.887 -11.331
   21    HA   ILE   3           HA       ILE   3  -5.478   1.150 -12.212
   22    HB   ILE   3           HB       ILE   3  -4.545   1.322  -9.931
   23   1HG1  ILE   3          2HG1      ILE   3  -6.482   3.601  -9.514
   24   2HG1  ILE   3          1HG1      ILE   3  -6.770   1.979  -8.896
   25   1HG2  ILE   3          1HG2      ILE   3  -4.206   4.011 -10.261
   26   2HG2  ILE   3          2HG2      ILE   3  -4.703   3.491 -11.872
   27   3HG2  ILE   3          3HG2      ILE   3  -3.300   2.752 -11.102
   28   1HD1  ILE   3          1HD1      ILE   3  -5.812   3.543  -7.239
   29   2HD1  ILE   3          2HD1      ILE   3  -4.355   3.632  -8.231
   30   3HD1  ILE   3          3HD1      ILE   3  -4.839   2.097  -7.507
   31    H    PHE   4           H        PHE   4  -5.156  -0.771 -10.789
   32    HA   PHE   4           HA       PHE   4  -7.740  -1.791  -9.789
   33   1HB   PHE   4          2HB       PHE   4  -5.555  -3.224 -11.308
   34   2HB   PHE   4          1HB       PHE   4  -6.799  -4.083 -10.402
   35    HD1  PHE   4           1HD      PHE   4  -5.914  -2.877 -13.551
   36    HD2  PHE   4           2HD      PHE   4  -9.265  -3.262 -10.953
   37    HE1  PHE   4           1HE      PHE   4  -7.427  -2.709 -15.489
   38    HE2  PHE   4           2HE      PHE   4 -10.777  -3.104 -12.886
   39    HZ   PHE   4           HZ       PHE   4  -9.861  -2.831 -15.150
   40    H    VAL   5           H        VAL   5  -7.740  -2.622  -7.736
   41    HA   VAL   5           HA       VAL   5  -5.160  -3.170  -6.469
   42    HB   VAL   5           HB       VAL   5  -7.221  -1.401  -5.151
   43   1HG1  VAL   5          1HG1      VAL   5  -6.030  -1.639  -3.286
   44   2HG1  VAL   5          2HG1      VAL   5  -4.545  -1.201  -4.130
   45   3HG1  VAL   5          3HG1      VAL   5  -5.079  -2.881  -4.104
   46   1HG2  VAL   5          1HG2      VAL   5  -4.921   0.096  -5.564
   47   2HG2  VAL   5          2HG2      VAL   5  -6.459   0.261  -6.408
   48   3HG2  VAL   5          3HG2      VAL   5  -5.182  -0.742  -7.091
   49    H    LYS   6           H        LYS   6  -5.238  -5.041  -5.483
   50    HA   LYS   6           HA       LYS   6  -7.813  -6.235  -4.841
   51   1HB   LYS   6          2HB       LYS   6  -5.848  -7.428  -6.037
   52   2HB   LYS   6          1HB       LYS   6  -5.149  -7.567  -4.429
   53   1HG   LYS   6          2HG       LYS   6  -6.250  -9.534  -4.457
   54   2HG   LYS   6          1HG       LYS   6  -7.592  -8.525  -3.914
   55   1HD   LYS   6          2HD       LYS   6  -8.537  -8.446  -6.073
   56   2HD   LYS   6          1HD       LYS   6  -7.059  -9.050  -6.826
   57   1HE   LYS   6          2HE       LYS   6  -7.912 -10.970  -4.923
   58   2HE   LYS   6          1HE       LYS   6  -9.312 -10.511  -5.884
   59   1HZ   LYS   6          1HZ       LYS   6  -6.718 -11.479  -6.952
   60   2HZ   LYS   6          2HZ       LYS   6  -8.044 -10.999  -7.887
   61   3HZ   LYS   6          3HZ       LYS   6  -8.163 -12.357  -6.888
   62    H    THR   7           H        THR   7  -8.634  -6.318  -2.889
   63    HA   THR   7           HA       THR   7  -7.100  -5.285  -0.640
   64    HB   THR   7           HB       THR   7  -9.361  -5.529   0.544
   65    HG1  THR   7           1HG      THR   7 -11.129  -5.807  -0.807
   66   1HG2  THR   7          1HG2      THR   7 -10.027  -3.787  -1.665
   67   2HG2  THR   7          2HG2      THR   7  -8.395  -3.508  -1.056
   68   3HG2  THR   7          3HG2      THR   7  -9.775  -3.413   0.040
   69    H    LEU   8           H        LEU   8  -8.024  -6.482   1.562
   70    HA   LEU   8           HA       LEU   8  -6.685  -9.011   1.477
   71   1HB   LEU   8          2HB       LEU   8  -6.562  -7.470   3.407
   72   2HB   LEU   8          1HB       LEU   8  -8.260  -7.768   3.734
   73    HG   LEU   8           HG       LEU   8  -6.582 -10.190   3.588
   74   1HD1  LEU   8          1HD1      LEU   8  -6.356  -8.709   6.145
   75   2HD1  LEU   8          2HD1      LEU   8  -5.318  -8.188   4.817
   76   3HD1  LEU   8          3HD1      LEU   8  -5.241  -9.853   5.394
   77   1HD2  LEU   8          1HD2      LEU   8  -8.095  -9.792   5.994
   78   2HD2  LEU   8          2HD2      LEU   8  -8.319 -10.986   4.712
   79   3HD2  LEU   8          3HD2      LEU   8  -9.077  -9.399   4.582
   80    H    THR   9           H        THR   9  -9.921  -7.993   1.085
   81    HA   THR   9           HA       THR   9 -11.078 -10.535   1.834
   82    HB   THR   9           HB       THR   9 -13.141  -9.334   0.691
   83    HG1  THR   9           1HG      THR   9 -12.945  -7.180   0.537
   84   1HG2  THR   9          1HG2      THR   9 -12.578  -9.730   3.206
   85   2HG2  THR   9          2HG2      THR   9 -13.849  -8.602   2.729
   86   3HG2  THR   9          3HG2      THR   9 -12.257  -7.996   3.189
   87    H    GLY  10           H        GLY  10  -9.500  -9.328  -0.886
   88   1HA   GLY  10          2HA       GLY  10  -9.051 -10.622  -2.806
   89   2HA   GLY  10          1HA       GLY  10 -10.521 -11.539  -2.509
   90    H    ALA  11           H        ALA  11 -11.591  -8.629  -1.998
   91    HA   ALA  11           HA       ALA  11 -12.738  -8.350  -4.639
   92   1HB   ALA  11          1HB       ALA  11 -14.329  -6.933  -3.688
   93   2HB   ALA  11          2HB       ALA  11 -13.268  -6.490  -2.350
   94   3HB   ALA  11          3HB       ALA  11 -13.979  -8.102  -2.414
   95    H    THR  12           H        THR  12 -11.759  -7.230  -6.192
   96    HA   THR  12           HA       THR  12  -9.802  -5.198  -5.589
   97    HB   THR  12           HB       THR  12 -10.908  -6.015  -8.286
   98    HG1  THR  12           1HG      THR  12  -9.914  -7.814  -7.806
   99   1HG2  THR  12          1HG2      THR  12  -9.554  -3.848  -8.021
  100   2HG2  THR  12          2HG2      THR  12  -9.100  -4.987  -9.288
  101   3HG2  THR  12          3HG2      THR  12  -8.175  -4.921  -7.786
  102    H    ILE  13           H        ILE  13 -10.091  -3.027  -5.700
  103    HA   ILE  13           HA       ILE  13 -12.786  -2.085  -6.461
  104    HB   ILE  13           HB       ILE  13 -12.288  -0.141  -4.912
  105   1HG1  ILE  13          2HG1      ILE  13 -10.322  -2.017  -3.624
  106   2HG1  ILE  13          1HG1      ILE  13  -9.796  -0.833  -4.818
  107   1HG2  ILE  13          1HG2      ILE  13 -12.374  -2.363  -3.064
  108   2HG2  ILE  13          2HG2      ILE  13 -13.415  -2.633  -4.462
  109   3HG2  ILE  13          3HG2      ILE  13 -13.621  -1.185  -3.476
  110   1HD1  ILE  13          1HD1      ILE  13 -10.463  -0.481  -2.031
  111   2HD1  ILE  13          2HD1      ILE  13 -11.347   0.633  -3.074
  112   3HD1  ILE  13          3HD1      ILE  13  -9.587   0.577  -3.130
  113    H    THR  14           H        THR  14 -13.022  -0.200  -7.577
  114    HA   THR  14           HA       THR  14 -10.670   0.646  -9.101
  115    HB   THR  14           HB       THR  14 -12.300   1.724 -10.616
  116    HG1  THR  14           1HG      THR  14 -13.928   2.105  -9.018
  117   1HG2  THR  14          1HG2      THR  14 -13.729  -0.588 -10.884
  118   2HG2  THR  14          2HG2      THR  14 -12.251  -1.138 -10.097
  119   3HG2  THR  14          3HG2      THR  14 -12.164  -0.254 -11.621
  120    H    LEU  15           H        LEU  15  -9.671   2.557  -8.692
  121    HA   LEU  15           HA       LEU  15 -11.217   4.672  -7.385
  122   1HB   LEU  15          2HB       LEU  15  -8.480   3.872  -6.436
  123   2HB   LEU  15          1HB       LEU  15  -9.556   5.050  -5.711
  124    HG   LEU  15           HG       LEU  15 -10.184   2.101  -5.862
  125   1HD1  LEU  15          1HD1      LEU  15  -9.050   1.716  -3.972
  126   2HD1  LEU  15          2HD1      LEU  15  -9.474   3.276  -3.275
  127   3HD1  LEU  15          3HD1      LEU  15  -8.136   3.150  -4.416
  128   1HD2  LEU  15          1HD2      LEU  15 -12.068   3.737  -5.623
  129   2HD2  LEU  15          2HD2      LEU  15 -11.343   4.260  -4.106
  130   3HD2  LEU  15          3HD2      LEU  15 -11.906   2.599  -4.286
  131    H    GLU  16           H        GLU  16 -10.104   6.740  -7.319
  132    HA   GLU  16           HA       GLU  16  -8.466   7.149  -9.734
  133   1HB   GLU  16          2HB       GLU  16 -10.744   8.600  -8.581
  134   2HB   GLU  16          1HB       GLU  16  -9.396   9.642  -9.014
  135   1HG   GLU  16          2HG       GLU  16  -9.486   8.303 -11.266
  136   2HG   GLU  16          1HG       GLU  16 -11.145   7.986 -10.758
  137    H    VAL  17           H        VAL  17  -6.420   7.903  -9.455
  138    HA   VAL  17           HA       VAL  17  -5.548   8.454  -6.746
  139    HB   VAL  17           HB       VAL  17  -3.278   8.527  -7.741
  140   1HG1  VAL  17          1HG1      VAL  17  -5.058   6.299  -7.552
  141   2HG1  VAL  17          2HG1      VAL  17  -3.325   6.370  -7.232
  142   3HG1  VAL  17          3HG1      VAL  17  -3.909   6.027  -8.860
  143   1HG2  VAL  17          1HG2      VAL  17  -4.379   9.239 -10.042
  144   2HG2  VAL  17          2HG2      VAL  17  -4.359   7.498 -10.318
  145   3HG2  VAL  17          3HG2      VAL  17  -2.853   8.356  -9.990
  146    H    GLU  18           H        GLU  18  -3.927  10.208  -6.412
  147    HA   GLU  18           HA       GLU  18  -4.275  12.608  -8.002
  148   1HB   GLU  18          2HB       GLU  18  -5.563  12.206  -5.377
  149   2HB   GLU  18          1HB       GLU  18  -4.689  13.718  -5.560
  150   1HG   GLU  18          2HG       GLU  18  -6.338  14.591  -6.742
  151   2HG   GLU  18          1HG       GLU  18  -6.295  13.248  -7.886
  152    H    SER  19           H        SER  19  -2.730  14.222  -7.579
  153    HA   SER  19           HA       SER  19  -0.199  13.218  -6.758
  154   1HB   SER  19          2HB       SER  19  -1.000  16.118  -7.181
  155   2HB   SER  19          1HB       SER  19   0.640  15.468  -7.187
  156    HG   SER  19           HG       SER  19   0.356  15.096  -9.222
  157    H    SER  20           H        SER  20  -2.683  15.205  -5.286
  158    HA   SER  20           HA       SER  20  -1.124  15.757  -2.922
  159   1HB   SER  20          2HB       SER  20  -3.541  16.526  -2.144
  160   2HB   SER  20          1HB       SER  20  -2.594  17.496  -3.272
  161    HG   SER  20           HG       SER  20  -4.453  17.306  -4.324
  162    H    ASP  21           H        ASP  21  -2.285  12.935  -3.890
  163    HA   ASP  21           HA       ASP  21  -3.751  12.106  -1.542
  164   1HB   ASP  21          2HB       ASP  21  -3.375  11.122  -4.185
  165   2HB   ASP  21          1HB       ASP  21  -2.841   9.873  -3.064
  166    H    THR  22           H        THR  22  -2.684  11.855   0.299
  167    HA   THR  22           HA       THR  22  -0.063  10.527   0.234
  168    HB   THR  22           HB       THR  22   0.556  11.762   2.212
  169    HG1  THR  22           1HG      THR  22  -1.339  13.523   2.524
  170   1HG2  THR  22          1HG2      THR  22  -0.746  13.742   0.366
  171   2HG2  THR  22          2HG2      THR  22   0.806  12.965   0.055
  172   3HG2  THR  22          3HG2      THR  22   0.612  14.016   1.457
  173    H    ILE  23           H        ILE  23   0.441   9.483   2.426
  174    HA   ILE  23           HA       ILE  23  -1.365   7.391   2.870
  175    HB   ILE  23           HB       ILE  23   0.751   8.314   4.817
  176   1HG1  ILE  23          2HG1      ILE  23   1.762   8.059   2.606
  177   2HG1  ILE  23          1HG1      ILE  23   2.249   6.727   3.639
  178   1HG2  ILE  23          1HG2      ILE  23   0.415   5.485   4.586
  179   2HG2  ILE  23          2HG2      ILE  23  -1.137   6.246   4.927
  180   3HG2  ILE  23          3HG2      ILE  23   0.228   6.519   6.001
  181   1HD1  ILE  23          1HD1      ILE  23   1.742   5.525   1.815
  182   2HD1  ILE  23          2HD1      ILE  23   0.598   6.723   1.206
  183   3HD1  ILE  23          3HD1      ILE  23   0.116   5.616   2.491
  184    H    ASP  24           H        ASP  24  -1.222  10.569   4.198
  185    HA   ASP  24           HA       ASP  24  -2.847   9.965   6.505
  186   1HB   ASP  24          2HB       ASP  24  -1.167  12.079   5.712
  187   2HB   ASP  24          1HB       ASP  24  -2.785  12.767   5.810
  188    H    ASN  25           H        ASN  25  -3.273  11.446   3.329
  189    HA   ASN  25           HA       ASN  25  -5.886  12.378   3.590
  190   1HB   ASN  25          2HB       ASN  25  -4.013  12.015   1.470
  191   2HB   ASN  25          1HB       ASN  25  -5.574  11.405   0.938
  192   1HD2  ASN  25          1HD2      ASN  25  -6.887  12.839   0.068
  193   2HD2  ASN  25          2HD2      ASN  25  -6.835  14.547   0.324
  194    H    VAL  26           H        VAL  26  -4.720   9.166   2.737
  195    HA   VAL  26           HA       VAL  26  -7.161   8.015   1.967
  196    HB   VAL  26           HB       VAL  26  -5.009   6.517   3.453
  197   1HG1  VAL  26          1HG1      VAL  26  -5.727   4.770   1.706
  198   2HG1  VAL  26          2HG1      VAL  26  -7.151   5.786   1.489
  199   3HG1  VAL  26          3HG1      VAL  26  -6.800   5.085   3.069
  200   1HG2  VAL  26          1HG2      VAL  26  -3.611   7.406   1.896
  201   2HG2  VAL  26          2HG2      VAL  26  -4.916   7.750   0.759
  202   3HG2  VAL  26          3HG2      VAL  26  -4.292   6.108   0.915
  203    H    LYS  27           H        LYS  27  -5.661   8.309   5.142
  204    HA   LYS  27           HA       LYS  27  -7.534   6.778   6.571
  205   1HB   LYS  27          2HB       LYS  27  -5.308   7.371   7.441
  206   2HB   LYS  27          1HB       LYS  27  -5.815   9.047   7.568
  207   1HG   LYS  27          2HG       LYS  27  -7.674   7.358   8.957
  208   2HG   LYS  27          1HG       LYS  27  -6.025   7.039   9.498
  209   1HD   LYS  27          2HD       LYS  27  -6.346   9.852   9.245
  210   2HD   LYS  27          1HD       LYS  27  -7.713   9.224  10.164
  211   1HE   LYS  27          2HE       LYS  27  -6.400   9.164  11.953
  212   2HE   LYS  27          1HE       LYS  27  -5.469   7.900  11.160
  213   1HZ   LYS  27          1HZ       LYS  27  -4.448  10.074  10.010
  214   2HZ   LYS  27          2HZ       LYS  27  -3.803   9.361  11.402
  215   3HZ   LYS  27          3HZ       LYS  27  -4.829  10.699  11.537
  216    H    SER  28           H        SER  28  -7.368  10.282   5.988
  217    HA   SER  28           HA       SER  28  -9.521  11.021   7.605
  218   1HB   SER  28          2HB       SER  28  -9.662  12.978   5.864
  219   2HB   SER  28          1HB       SER  28  -8.254  12.827   6.915
  220    HG   SER  28           HG       SER  28  -8.212  11.522   4.441
  221    H    LYS  29           H        LYS  29  -9.493  10.298   4.122
  222    HA   LYS  29           HA       LYS  29 -12.236  10.735   3.707
  223   1HB   LYS  29          2HB       LYS  29 -10.095  10.226   2.097
  224   2HB   LYS  29          1HB       LYS  29 -10.981   8.711   1.979
  225   1HG   LYS  29          2HG       LYS  29 -12.856   9.744   1.058
  226   2HG   LYS  29          1HG       LYS  29 -12.353  11.344   1.603
  227   1HD   LYS  29          2HD       LYS  29 -11.388  11.699  -0.372
  228   2HD   LYS  29          1HD       LYS  29 -10.299  10.344  -0.073
  229   1HE   LYS  29          2HE       LYS  29 -11.463   8.945  -1.419
  230   2HE   LYS  29          1HE       LYS  29 -13.020   9.640  -0.969
  231   1HZ   LYS  29          1HZ       LYS  29 -12.511  10.099  -3.273
  232   2HZ   LYS  29          2HZ       LYS  29 -11.054  10.840  -2.842
  233   3HZ   LYS  29          3HZ       LYS  29 -12.524  11.543  -2.390
  234    H    ILE  30           H        ILE  30 -11.026   8.472   5.725
  235    HA   ILE  30           HA       ILE  30 -12.846   6.341   4.935
  236    HB   ILE  30           HB       ILE  30 -11.094   6.438   7.397
  237   1HG1  ILE  30          2HG1      ILE  30 -10.438   5.227   4.693
  238   2HG1  ILE  30          1HG1      ILE  30  -9.751   6.718   5.325
  239   1HG2  ILE  30          1HG2      ILE  30 -12.358   4.133   5.913
  240   2HG2  ILE  30          2HG2      ILE  30 -12.885   4.784   7.464
  241   3HG2  ILE  30          3HG2      ILE  30 -11.316   4.000   7.329
  242   1HD1  ILE  30          1HD1      ILE  30  -8.306   4.695   5.534
  243   2HD1  ILE  30          2HD1      ILE  30  -9.471   4.065   6.697
  244   3HD1  ILE  30          3HD1      ILE  30  -8.602   5.558   7.037
  245    H    GLN  31           H        GLN  31 -13.710   9.061   5.862
  246    HA   GLN  31           HA       GLN  31 -14.960   8.533   8.427
  247   1HB   GLN  31          2HB       GLN  31 -14.062  10.826   7.213
  248   2HB   GLN  31          1HB       GLN  31 -15.799  10.936   6.957
  249   1HG   GLN  31          2HG       GLN  31 -15.552  12.025   8.962
  250   2HG   GLN  31          1HG       GLN  31 -15.946  10.388   9.487
  251   1HE2  GLN  31          1HE2      GLN  31 -13.214  12.525   8.801
  252   2HE2  GLN  31          2HE2      GLN  31 -12.173  11.881  10.019
  253    H    ALA  32           H        ALA  32 -15.715   6.898   6.124
  254    HA   ALA  32           HA       ALA  32 -18.499   7.735   5.712
  255   1HB   ALA  32          1HB       ALA  32 -16.947   7.240   3.752
  256   2HB   ALA  32          2HB       ALA  32 -18.541   6.486   3.746
  257   3HB   ALA  32          3HB       ALA  32 -17.124   5.543   4.197
  258    H    ALA  33           H        ALA  33 -17.183   4.444   5.556
  259    HA   ALA  33           HA       ALA  33 -19.199   3.650   7.549
  260   1HB   ALA  33          1HB       ALA  33 -18.302   1.414   6.037
  261   2HB   ALA  33          2HB       ALA  33 -18.718   2.720   4.927
  262   3HB   ALA  33          3HB       ALA  33 -19.905   2.145   6.096
  263    HA   PRO  34           HA       PRO  34 -15.624   2.513  10.020
  264   1HB   PRO  34          2HB       PRO  34 -17.588   1.425  11.903
  265   2HB   PRO  34          1HB       PRO  34 -16.457   2.763  12.117
  266   1HG   PRO  34          2HG       PRO  34 -19.114   3.163  11.923
  267   2HG   PRO  34          1HG       PRO  34 -17.935   4.325  11.285
  268   1HD   PRO  34          2HD       PRO  34 -19.518   2.239   9.818
  269   2HD   PRO  34          1HD       PRO  34 -19.195   3.930   9.370
  270    H    GLY  35           H        GLY  35 -14.822   0.487  11.087
  271   1HA   GLY  35          2HA       GLY  35 -15.684  -1.995  11.228
  272   2HA   GLY  35          1HA       GLY  35 -15.617  -1.837   9.480
  273    H    ILE  36           H        ILE  36 -13.304  -0.332   9.216
  274    HA   ILE  36           HA       ILE  36 -11.254  -2.177  10.250
  275    HB   ILE  36           HB       ILE  36  -9.950  -1.765   8.207
  276   1HG1  ILE  36          2HG1      ILE  36 -11.008   0.460   7.696
  277   2HG1  ILE  36          1HG1      ILE  36 -10.855  -0.616   6.314
  278   1HG2  ILE  36          1HG2      ILE  36 -11.879  -3.548   8.559
  279   2HG2  ILE  36          2HG2      ILE  36 -10.962  -3.432   7.057
  280   3HG2  ILE  36          3HG2      ILE  36 -12.564  -2.702   7.171
  281   1HD1  ILE  36          1HD1      ILE  36 -13.173  -1.129   6.363
  282   2HD1  ILE  36          2HD1      ILE  36 -13.008   0.624   6.451
  283   3HD1  ILE  36          3HD1      ILE  36 -13.384  -0.299   7.896
  284    HA   PRO  37           HA       PRO  37  -9.273   1.356  12.044
  285   1HB   PRO  37          2HB       PRO  37  -6.697   0.015  11.623
  286   2HB   PRO  37          1HB       PRO  37  -7.484   0.457  13.131
  287   1HG   PRO  37          2HG       PRO  37  -7.274  -2.107  12.352
  288   2HG   PRO  37          1HG       PRO  37  -8.693  -1.508  13.233
  289   1HD   PRO  37          2HD       PRO  37  -8.368  -2.037  10.299
  290   2HD   PRO  37          1HD       PRO  37  -9.742  -2.407  11.365
  291    HA   PRO  38           HA       PRO  38  -8.291   3.382   8.056
  292   1HB   PRO  38          2HB       PRO  38  -7.964   5.611  10.009
  293   2HB   PRO  38          1HB       PRO  38  -8.811   5.593   8.466
  294   1HG   PRO  38          2HG       PRO  38 -10.186   5.510  10.723
  295   2HG   PRO  38          1HG       PRO  38 -10.671   4.508   9.341
  296   1HD   PRO  38          2HD       PRO  38  -9.263   3.714  11.855
  297   2HD   PRO  38          1HD       PRO  38 -10.475   2.827  10.911
  298    H    ASP  39           H        ASP  39  -6.488   3.761  11.077
  299    HA   ASP  39           HA       ASP  39  -4.098   4.626   9.749
  300   1HB   ASP  39          2HB       ASP  39  -4.578   3.770  12.607
  301   2HB   ASP  39          1HB       ASP  39  -3.094   4.499  12.002
  302    H    GLN  40           H        GLN  40  -5.546   1.683   9.925
  303    HA   GLN  40           HA       GLN  40  -3.048   0.180  10.177
  304   1HB   GLN  40          2HB       GLN  40  -5.476  -0.359  11.226
  305   2HB   GLN  40          1HB       GLN  40  -5.587  -1.274   9.730
  306   1HG   GLN  40          2HG       GLN  40  -4.553  -2.910  10.806
  307   2HG   GLN  40          1HG       GLN  40  -3.095  -1.923  10.724
  308   1HE2  GLN  40          1HE2      GLN  40  -2.133  -1.476  12.556
  309   2HE2  GLN  40          2HE2      GLN  40  -2.844  -1.546  14.129
  310    H    GLN  41           H        GLN  41  -5.043   1.523   7.823
  311    HA   GLN  41           HA       GLN  41  -4.659  -0.495   5.802
  312   1HB   GLN  41          2HB       GLN  41  -5.838   2.252   5.870
  313   2HB   GLN  41          1HB       GLN  41  -5.398   1.570   4.314
  314   1HG   GLN  41          2HG       GLN  41  -7.170   0.101   6.239
  315   2HG   GLN  41          1HG       GLN  41  -7.801   1.293   5.104
  316   1HE2  GLN  41          1HE2      GLN  41  -7.121   0.946   2.810
  317   2HE2  GLN  41          2HE2      GLN  41  -7.122  -0.675   2.226
  318    H    GLU  42           H        GLU  42  -2.994  -0.722   4.461
  319    HA   GLU  42           HA       GLU  42  -1.280   1.504   3.776
  320   1HB   GLU  42          2HB       GLU  42  -0.557  -0.370   5.850
  321   2HB   GLU  42          1HB       GLU  42   0.611  -0.394   4.536
  322   1HG   GLU  42          2HG       GLU  42   1.394   1.642   5.028
  323   2HG   GLU  42          1HG       GLU  42  -0.207   2.279   5.402
  324    H    LEU  43           H        LEU  43   0.276   1.018   2.092
  325    HA   LEU  43           HA       LEU  43  -0.620  -1.166   0.357
  326   1HB   LEU  43          2HB       LEU  43   0.649   1.460  -0.020
  327   2HB   LEU  43          1HB       LEU  43   1.345   0.192  -1.010
  328    HG   LEU  43           HG       LEU  43  -1.611   0.403  -1.015
  329   1HD1  LEU  43          1HD1      LEU  43   0.229   2.519  -2.040
  330   2HD1  LEU  43          2HD1      LEU  43  -1.312   2.685  -1.201
  331   3HD1  LEU  43          3HD1      LEU  43  -1.275   2.170  -2.886
  332   1HD2  LEU  43          1HD2      LEU  43  -1.099   0.074  -3.495
  333   2HD2  LEU  43          2HD2      LEU  43  -0.756  -1.266  -2.406
  334   3HD2  LEU  43          3HD2      LEU  43   0.560  -0.242  -2.984
  335    H    ILE  44           H        ILE  44   0.734  -2.882  -0.187
  336    HA   ILE  44           HA       ILE  44   3.493  -2.781   0.742
  337    HB   ILE  44           HB       ILE  44   1.651  -5.005   1.613
  338   1HG1  ILE  44          2HG1      ILE  44   2.781  -3.702   3.839
  339   2HG1  ILE  44          1HG1      ILE  44   2.214  -2.425   2.780
  340   1HG2  ILE  44          1HG2      ILE  44   3.856  -5.243   3.140
  341   2HG2  ILE  44          2HG2      ILE  44   4.574  -4.622   1.654
  342   3HG2  ILE  44          3HG2      ILE  44   3.620  -6.104   1.624
  343   1HD1  ILE  44          1HD1      ILE  44   0.019  -3.066   2.944
  344   2HD1  ILE  44          2HD1      ILE  44   0.626  -3.401   4.565
  345   3HD1  ILE  44          3HD1      ILE  44   0.427  -4.715   3.406
  346    H    PHE  45           H        PHE  45   4.860  -3.745  -0.615
  347    HA   PHE  45           HA       PHE  45   3.802  -5.182  -2.904
  348   1HB   PHE  45          2HB       PHE  45   6.567  -4.218  -2.208
  349   2HB   PHE  45          1HB       PHE  45   6.211  -5.109  -3.680
  350    HD1  PHE  45           1HD      PHE  45   6.864  -1.969  -2.543
  351    HD2  PHE  45           2HD      PHE  45   3.940  -4.038  -4.844
  352    HE1  PHE  45           1HE      PHE  45   6.246   0.140  -3.646
  353    HE2  PHE  45           2HE      PHE  45   3.320  -1.929  -5.954
  354    HZ   PHE  45           HZ       PHE  45   4.477   0.159  -5.359
  355    H    ALA  46           H        ALA  46   3.940  -6.302  -0.073
  356    HA   ALA  46           HA       ALA  46   4.194  -8.384   0.844
  357   1HB   ALA  46          1HB       ALA  46   4.520 -10.288  -0.533
  358   2HB   ALA  46          2HB       ALA  46   5.326  -9.338  -1.780
  359   3HB   ALA  46          3HB       ALA  46   3.594  -9.152  -1.517
  360    H    GLY  47           H        GLY  47   6.864  -7.781  -1.435
  361   1HA   GLY  47          2HA       GLY  47   8.747  -8.391   0.743
  362   2HA   GLY  47          1HA       GLY  47   9.108  -8.533  -0.976
  363    H    LYS  48           H        LYS  48   7.365  -5.829  -0.940
  364    HA   LYS  48           HA       LYS  48   9.622  -4.069  -0.191
  365   1HB   LYS  48          2HB       LYS  48   7.855  -3.895  -2.636
  366   2HB   LYS  48          1HB       LYS  48   8.919  -2.605  -2.116
  367   1HG   LYS  48          2HG       LYS  48  10.626  -4.719  -2.195
  368   2HG   LYS  48          1HG       LYS  48   9.513  -5.114  -3.505
  369   1HD   LYS  48          2HD       LYS  48   9.988  -3.104  -4.647
  370   2HD   LYS  48          1HD       LYS  48  10.797  -2.403  -3.245
  371   1HE   LYS  48          2HE       LYS  48  12.286  -4.619  -3.607
  372   2HE   LYS  48          1HE       LYS  48  11.797  -4.300  -5.271
  373   1HZ   LYS  48          1HZ       LYS  48  12.700  -1.963  -3.840
  374   2HZ   LYS  48          2HZ       LYS  48  13.115  -2.511  -5.386
  375   3HZ   LYS  48          3HZ       LYS  48  13.893  -3.149  -4.026
  376    H    GLN  49           H        GLN  49   8.941  -3.012   1.562
  377    HA   GLN  49           HA       GLN  49   6.119  -2.407   1.908
  378   1HB   GLN  49          2HB       GLN  49   7.850  -3.302   3.682
  379   2HB   GLN  49          1HB       GLN  49   8.208  -1.593   3.883
  380   1HG   GLN  49          2HG       GLN  49   6.323  -1.216   5.008
  381   2HG   GLN  49          1HG       GLN  49   5.355  -2.187   3.902
  382   1HE2  GLN  49          1HE2      GLN  49   8.101  -3.004   5.984
  383   2HE2  GLN  49          2HE2      GLN  49   7.283  -4.238   6.874
  384    H    LEU  50           H        LEU  50   5.209  -0.427   1.819
  385    HA   LEU  50           HA       LEU  50   6.740   1.684   0.616
  386   1HB   LEU  50          2HB       LEU  50   3.937   1.028   1.028
  387   2HB   LEU  50          1HB       LEU  50   4.265   2.734   1.265
  388    HG   LEU  50           HG       LEU  50   3.569   2.078  -1.058
  389   1HD1  LEU  50          1HD1      LEU  50   5.522   3.372  -2.123
  390   2HD1  LEU  50          2HD1      LEU  50   6.123   3.525  -0.472
  391   3HD1  LEU  50          3HD1      LEU  50   4.542   4.179  -0.901
  392   1HD2  LEU  50          1HD2      LEU  50   5.228   0.014  -0.829
  393   2HD2  LEU  50          2HD2      LEU  50   6.328   1.159  -1.594
  394   3HD2  LEU  50          3HD2      LEU  50   4.812   0.729  -2.385
  395    H    GLU  51           H        GLU  51   6.677   3.896   1.370
  396    HA   GLU  51           HA       GLU  51   7.142   4.032   4.269
  397   1HB   GLU  51          2HB       GLU  51   8.326   5.313   1.939
  398   2HB   GLU  51          1HB       GLU  51   7.895   6.476   3.184
  399   1HG   GLU  51          2HG       GLU  51   9.910   5.986   4.012
  400   2HG   GLU  51          1HG       GLU  51   9.098   4.565   4.672
  401    H    ASP  52           H        ASP  52   5.601   4.838   5.512
  402    HA   ASP  52           HA       ASP  52   3.188   5.891   4.625
  403   1HB   ASP  52          2HB       ASP  52   3.866   4.958   6.947
  404   2HB   ASP  52          1HB       ASP  52   4.318   6.621   7.309
  405    H    GLY  53           H        GLY  53   6.193   7.512   5.365
  406   1HA   GLY  53          2HA       GLY  53   5.021  10.159   5.268
  407   2HA   GLY  53          1HA       GLY  53   6.729   9.774   5.432
  408    H    ARG  54           H        ARG  54   5.276   8.079   2.863
  409    HA   ARG  54           HA       ARG  54   6.578   9.888   0.973
  410   1HB   ARG  54          2HB       ARG  54   6.417   7.068   1.158
  411   2HB   ARG  54          1HB       ARG  54   5.519   7.530  -0.282
  412   1HG   ARG  54          2HG       ARG  54   7.471   8.782  -1.081
  413   2HG   ARG  54          1HG       ARG  54   8.372   8.263   0.342
  414   1HD   ARG  54          2HD       ARG  54   8.059   5.925  -0.331
  415   2HD   ARG  54          1HD       ARG  54   7.200   6.460  -1.775
  416    HE   ARG  54           HE       ARG  54   9.217   6.970  -2.739
  417   1HH1  ARG  54          1HH1      ARG  54   9.684   6.555   0.698
  418   2HH1  ARG  54          2HH1      ARG  54  11.410   6.649   0.601
  419   1HH2  ARG  54          1HH2      ARG  54  11.484   7.086  -2.866
  420   2HH2  ARG  54          2HH2      ARG  54  12.434   6.935  -1.424
  421    H    THR  55           H        THR  55   5.541  10.525  -0.975
  422    HA   THR  55           HA       THR  55   2.645  10.822  -0.640
  423    HB   THR  55           HB       THR  55   2.811  12.768  -2.091
  424    HG1  THR  55           1HG      THR  55   5.429  11.834  -2.466
  425   1HG2  THR  55          1HG2      THR  55   5.120  13.504  -0.519
  426   2HG2  THR  55          2HG2      THR  55   3.905  12.666   0.445
  427   3HG2  THR  55          3HG2      THR  55   3.467  14.114  -0.461
  428    H    LEU  56           H        LEU  56   1.472  11.160  -2.857
  429    HA   LEU  56           HA       LEU  56   1.516   8.703  -4.197
  430   1HB   LEU  56          2HB       LEU  56  -0.332  10.528  -4.060
  431   2HB   LEU  56          1HB       LEU  56   0.439  11.187  -5.490
  432    HG   LEU  56           HG       LEU  56   0.044   8.397  -5.921
  433   1HD1  LEU  56          1HD1      LEU  56  -2.632   8.906  -5.875
  434   2HD1  LEU  56          2HD1      LEU  56  -2.086   9.684  -4.396
  435   3HD1  LEU  56          3HD1      LEU  56  -1.756   7.978  -4.659
  436   1HD2  LEU  56          1HD2      LEU  56  -0.823  10.970  -7.119
  437   2HD2  LEU  56          2HD2      LEU  56  -1.696   9.514  -7.586
  438   3HD2  LEU  56          3HD2      LEU  56   0.043   9.625  -7.840
  439    H    SER  57           H        SER  57   2.618  11.895  -5.319
  440    HA   SER  57           HA       SER  57   3.637  11.102  -7.786
  441   1HB   SER  57          2HB       SER  57   4.568  13.327  -5.958
  442   2HB   SER  57          1HB       SER  57   5.066  13.143  -7.641
  443    HG   SER  57           HG       SER  57   2.515  13.753  -6.603
  444    H    ASP  58           H        ASP  58   4.990  10.793  -4.596
  445    HA   ASP  58           HA       ASP  58   7.680  10.348  -5.301
  446   1HB   ASP  58          2HB       ASP  58   6.005   9.975  -2.917
  447   2HB   ASP  58          1HB       ASP  58   7.340   8.834  -3.045
  448    H    TYR  59           H        TYR  59   4.866   8.332  -5.501
  449    HA   TYR  59           HA       TYR  59   6.516   6.213  -6.682
  450   1HB   TYR  59          2HB       TYR  59   5.276   6.012  -4.123
  451   2HB   TYR  59          1HB       TYR  59   4.413   4.939  -5.221
  452    HD1  TYR  59           1HD      TYR  59   6.804   4.830  -2.842
  453    HD2  TYR  59           2HD      TYR  59   6.355   3.820  -6.954
  454    HE1  TYR  59           1HE      TYR  59   8.626   3.192  -2.632
  455    HE2  TYR  59           2HE      TYR  59   8.172   2.187  -6.752
  456    HH   TYR  59           HH       TYR  59  10.363   2.076  -4.849
  457    H    ASN  60           H        ASN  60   4.743   8.245  -7.775
  458    HA   ASN  60           HA       ASN  60   2.672   6.523  -8.975
  459   1HB   ASN  60          2HB       ASN  60   2.101   8.727  -7.592
  460   2HB   ASN  60          1HB       ASN  60   2.467   9.496  -9.131
  461   1HD2  ASN  60          1HD2      ASN  60   0.633   9.979 -10.082
  462   2HD2  ASN  60          2HD2      ASN  60  -0.736   8.937 -10.237
  463    H    ILE  61           H        ILE  61   3.528   5.810 -10.792
  464    HA   ILE  61           HA       ILE  61   5.039   7.652 -12.509
  465    HB   ILE  61           HB       ILE  61   5.760   5.515 -13.670
  466   1HG1  ILE  61          2HG1      ILE  61   5.552   3.657 -11.636
  467   2HG1  ILE  61          1HG1      ILE  61   3.970   4.426 -11.618
  468   1HG2  ILE  61          1HG2      ILE  61   6.548   5.630 -10.779
  469   2HG2  ILE  61          2HG2      ILE  61   7.062   6.835 -11.960
  470   3HG2  ILE  61          3HG2      ILE  61   7.528   5.145 -12.162
  471   1HD1  ILE  61          1HD1      ILE  61   3.710   3.927 -13.998
  472   2HD1  ILE  61          2HD1      ILE  61   3.956   2.473 -13.036
  473   3HD1  ILE  61          3HD1      ILE  61   5.283   3.131 -13.988
  474    H    GLN  62           H        GLN  62   4.594   5.600 -14.714
  475    HA   GLN  62           HA       GLN  62   2.582   6.978 -16.124
  476   1HB   GLN  62          2HB       GLN  62   3.581   4.211 -16.773
  477   2HB   GLN  62          1HB       GLN  62   2.971   5.429 -17.884
  478   1HG   GLN  62          2HG       GLN  62   5.084   5.961 -18.269
  479   2HG   GLN  62          1HG       GLN  62   5.102   6.682 -16.660
  480   1HE2  GLN  62          1HE2      GLN  62   7.450   6.020 -17.282
  481   2HE2  GLN  62          2HE2      GLN  62   7.966   4.507 -16.628
  482    H    LYS  63           H        LYS  63   1.295   4.697 -17.372
  483    HA   LYS  63           HA       LYS  63  -0.767   4.185 -15.336
  484   1HB   LYS  63          2HB       LYS  63  -2.221   3.620 -17.310
  485   2HB   LYS  63          1HB       LYS  63  -1.703   5.297 -17.217
  486   1HG   LYS  63          2HG       LYS  63  -0.939   5.146 -19.284
  487   2HG   LYS  63          1HG       LYS  63   0.235   3.947 -18.743
  488   1HD   LYS  63          2HD       LYS  63  -1.352   2.159 -19.167
  489   2HD   LYS  63          1HD       LYS  63  -2.585   3.336 -19.625
  490   1HE   LYS  63          2HE       LYS  63  -0.335   3.918 -21.196
  491   2HE   LYS  63          1HE       LYS  63  -0.500   2.163 -21.216
  492   1HZ   LYS  63          1HZ       LYS  63  -1.821   3.723 -22.877
  493   2HZ   LYS  63          2HZ       LYS  63  -2.934   3.724 -21.604
  494   3HZ   LYS  63          3HZ       LYS  63  -2.462   2.262 -22.312
  495    H    GLU  64           H        GLU  64  -1.913   2.078 -15.497
  496    HA   GLU  64           HA       GLU  64  -1.952  -0.206 -15.487
  497   1HB   GLU  64          2HB       GLU  64   0.077   0.306 -17.630
  498   2HB   GLU  64          1HB       GLU  64  -0.098  -1.324 -16.997
  499   1HG   GLU  64          2HG       GLU  64  -2.694  -0.518 -17.478
  500   2HG   GLU  64          1HG       GLU  64  -1.785   0.157 -18.827
  501    H    SER  65           H        SER  65  -1.378  -0.077 -13.335
  502    HA   SER  65           HA       SER  65   1.113  -1.378 -12.682
  503   1HB   SER  65          2HB       SER  65   0.502   1.412 -11.678
  504   2HB   SER  65          1HB       SER  65   1.732   0.359 -10.976
  505    HG   SER  65           HG       SER  65   2.831   1.510 -12.442
  506    H    THR  66           H        THR  66   0.393  -2.969 -11.459
  507    HA   THR  66           HA       THR  66  -2.071  -2.925 -10.060
  508    HB   THR  66           HB       THR  66   0.089  -4.879  -9.384
  509    HG1  THR  66           1HG      THR  66  -1.089  -4.503 -11.889
  510   1HG2  THR  66          1HG2      THR  66  -2.880  -5.067  -9.779
  511   2HG2  THR  66          2HG2      THR  66  -1.950  -5.364  -8.309
  512   3HG2  THR  66          3HG2      THR  66  -1.832  -6.481  -9.668
  513    H    LEU  67           H        LEU  67  -2.558  -2.766  -7.917
  514    HA   LEU  67           HA       LEU  67  -0.397  -1.851  -6.132
  515   1HB   LEU  67          2HB       LEU  67  -2.877  -0.569  -6.888
  516   2HB   LEU  67          1HB       LEU  67  -2.813  -0.819  -5.152
  517    HG   LEU  67           HG       LEU  67  -0.569   0.340  -5.174
  518   1HD1  LEU  67          1HD1      LEU  67  -0.113   0.003  -7.559
  519   2HD1  LEU  67          2HD1      LEU  67  -0.015   1.702  -7.093
  520   3HD1  LEU  67          3HD1      LEU  67  -1.434   1.102  -7.951
  521   1HD2  LEU  67          1HD2      LEU  67  -1.873   2.602  -5.915
  522   2HD2  LEU  67          2HD2      LEU  67  -2.053   1.816  -4.348
  523   3HD2  LEU  67          3HD2      LEU  67  -3.225   1.508  -5.626
  524    H    HIS  68           H        HIS  68  -0.268  -2.859  -4.146
  525    HA   HIS  68           HA       HIS  68  -2.448  -4.740  -3.505
  526   1HB   HIS  68          2HB       HIS  68  -0.053  -5.589  -4.245
  527   2HB   HIS  68          1HB       HIS  68   0.341  -5.237  -2.566
  528    HD1  HIS  68           1HD      HIS  68   0.685  -7.820  -2.200
  529    HD2  HIS  68           2HD      HIS  68  -3.187  -6.676  -3.184
  530    HE1  HIS  68           1HE      HIS  68  -0.765  -9.803  -1.659
  531    HE2  HIS  68           2HE      HIS  68  -3.105  -9.068  -2.207
  532    H    LEU  69           H        LEU  69  -3.424  -4.409  -1.619
  533    HA   LEU  69           HA       LEU  69  -1.987  -2.868   0.444
  534   1HB   LEU  69          2HB       LEU  69  -3.848  -1.586  -0.481
  535   2HB   LEU  69          1HB       LEU  69  -4.943  -2.928  -0.199
  536    HG   LEU  69           HG       LEU  69  -3.618  -2.110   2.251
  537   1HD1  LEU  69          1HD1      LEU  69  -5.471  -0.020   1.887
  538   2HD1  LEU  69          2HD1      LEU  69  -4.390   0.006   0.503
  539   3HD1  LEU  69          3HD1      LEU  69  -3.735   0.097   2.136
  540   1HD2  LEU  69          1HD2      LEU  69  -5.951  -1.999   3.024
  541   2HD2  LEU  69          2HD2      LEU  69  -5.566  -3.521   2.240
  542   3HD2  LEU  69          3HD2      LEU  69  -6.496  -2.296   1.379
  543    H    VAL  70           H        VAL  70  -1.496  -4.078   2.136
  544    HA   VAL  70           HA       VAL  70  -3.220  -6.385   2.749
  545    HB   VAL  70           HB       VAL  70  -0.315  -6.106   3.494
  546   1HG1  VAL  70          1HG1      VAL  70  -1.471  -7.611   4.942
  547   2HG1  VAL  70          2HG1      VAL  70  -0.489  -8.559   3.828
  548   3HG1  VAL  70          3HG1      VAL  70  -2.230  -8.427   3.576
  549   1HG2  VAL  70          1HG2      VAL  70  -1.552  -6.906   0.971
  550   2HG2  VAL  70          2HG2      VAL  70  -0.422  -8.092   1.625
  551   3HG2  VAL  70          3HG2      VAL  70   0.112  -6.440   1.325
  552    H    LEU  71           H        LEU  71  -3.616  -6.927   4.929
  553    HA   LEU  71           HA       LEU  71  -3.309  -4.642   6.766
  554   1HB   LEU  71          2HB       LEU  71  -5.627  -5.699   5.921
  555   2HB   LEU  71          1HB       LEU  71  -5.340  -6.732   7.308
  556    HG   LEU  71           HG       LEU  71  -5.247  -4.780   8.776
  557   1HD1  LEU  71          1HD1      LEU  71  -4.917  -2.715   8.034
  558   2HD1  LEU  71          2HD1      LEU  71  -6.305  -2.827   6.954
  559   3HD1  LEU  71          3HD1      LEU  71  -4.723  -3.387   6.415
  560   1HD2  LEU  71          1HD2      LEU  71  -7.615  -3.995   8.435
  561   2HD2  LEU  71          2HD2      LEU  71  -7.399  -5.742   8.553
  562   3HD2  LEU  71          3HD2      LEU  71  -7.645  -4.987   6.978
  563    H    ARG  72           H        ARG  72  -3.438  -5.380   9.142
  564    HA   ARG  72           HA       ARG  72  -2.637  -7.957   9.909
  565   1HB   ARG  72          2HB       ARG  72  -0.546  -6.434   8.773
  566   2HB   ARG  72          1HB       ARG  72  -0.263  -6.464  10.507
  567   1HG   ARG  72          2HG       ARG  72   0.695  -8.440  10.212
  568   2HG   ARG  72          1HG       ARG  72  -0.913  -9.087   9.892
  569   1HD   ARG  72          2HD       ARG  72  -0.498  -9.327   7.696
  570   2HD   ARG  72          1HD       ARG  72   0.315  -7.769   7.591
  571    HE   ARG  72           HE       ARG  72   1.664 -10.146   8.687
  572   1HH1  ARG  72          1HH1      ARG  72   1.554  -7.429   6.511
  573   2HH1  ARG  72          2HH1      ARG  72   3.170  -7.656   5.940
  574   1HH2  ARG  72          1HH2      ARG  72   3.802 -10.455   7.939
  575   2HH2  ARG  72          2HH2      ARG  72   4.449  -9.377   6.747
  576    H    LEU  73           H        LEU  73  -2.502  -8.162  12.155
  577    HA   LEU  73           HA       LEU  73  -3.424  -5.826  13.631
  578   1HB   LEU  73          2HB       LEU  73  -3.524  -8.760  13.981
  579   2HB   LEU  73          1HB       LEU  73  -3.371  -7.821  15.454
  580    HG   LEU  73           HG       LEU  73  -5.523  -7.242  13.434
  581   1HD1  LEU  73          1HD1      LEU  73  -5.298  -9.630  14.861
  582   2HD1  LEU  73          2HD1      LEU  73  -6.734  -8.992  14.057
  583   3HD1  LEU  73          3HD1      LEU  73  -6.452  -8.648  15.761
  584   1HD2  LEU  73          1HD2      LEU  73  -5.460  -6.747  16.400
  585   2HD2  LEU  73          2HD2      LEU  73  -6.569  -6.074  15.208
  586   3HD2  LEU  73          3HD2      LEU  73  -4.878  -5.573  15.219
  587    H    ARG  74           H        ARG  74  -2.342  -4.903  15.309
  588    HA   ARG  74           HA       ARG  74   0.198  -6.006  16.172
  589   1HB   ARG  74          2HB       ARG  74   0.086  -3.979  14.216
  590   2HB   ARG  74          1HB       ARG  74   0.576  -3.195  15.713
  591   1HG   ARG  74          2HG       ARG  74   2.106  -5.509  15.623
  592   2HG   ARG  74          1HG       ARG  74   2.077  -4.929  13.956
  593   1HD   ARG  74          2HD       ARG  74   2.816  -2.726  14.710
  594   2HD   ARG  74          1HD       ARG  74   2.838  -3.300  16.376
  595    HE   ARG  74           HE       ARG  74   4.855  -3.703  14.406
  596   1HH1  ARG  74          1HH1      ARG  74   3.350  -5.192  17.183
  597   2HH1  ARG  74          2HH1      ARG  74   4.755  -6.114  17.603
  598   1HH2  ARG  74          1HH2      ARG  74   6.695  -4.900  14.954
  599   2HH2  ARG  74          2HH2      ARG  74   6.661  -5.951  16.332
  600    H    GLY  75           H        GLY  75  -2.591  -5.161  17.158
  601   1HA   GLY  75          2HA       GLY  75  -1.936  -3.158  19.152
  602   2HA   GLY  75          1HA       GLY  75  -3.501  -3.923  18.920
  603    H    GLY  76           H        GLY  76  -0.720  -5.978  19.146
  604   1HA   GLY  76          2HA       GLY  76   0.147  -6.627  21.407
  605   2HA   GLY  76          1HA       GLY  76  -1.543  -6.705  21.888
  606    H    HIS  77           H        HIS  77  -1.799  -8.825  22.347
  607    HA   HIS  77           HA       HIS  77  -1.053 -10.770  20.263
  608   1HB   HIS  77          2HB       HIS  77  -1.267 -11.066  23.258
  609   2HB   HIS  77          1HB       HIS  77  -1.146 -12.442  22.170
  610    HD1  HIS  77           1HD      HIS  77   0.831  -9.202  22.567
  611    HD2  HIS  77           2HD      HIS  77   1.403 -13.289  22.070
  612    HE1  HIS  77           1HE      HIS  77   3.319  -9.533  22.570
  613    HE2  HIS  77           2HE      HIS  77   3.648 -12.022  22.323
  614    H    HIS  78           H        HIS  78  -2.464 -12.840  20.510
  615    HA   HIS  78           HA       HIS  78  -5.278 -12.107  20.937
  616   1HB   HIS  78          2HB       HIS  78  -5.871 -13.392  18.882
  617   2HB   HIS  78          1HB       HIS  78  -4.940 -11.938  18.548
  618    HD1  HIS  78           1HD      HIS  78  -2.568 -12.242  17.586
  619    HD2  HIS  78           2HD      HIS  78  -4.548 -15.809  18.359
  620    HE1  HIS  78           1HE      HIS  78  -1.221 -14.020  16.425
  621    HE2  HIS  78           2HE      HIS  78  -2.379 -16.184  17.002
  622    H    HIS  79           H        HIS  79  -6.680 -13.891  21.368
  623    HA   HIS  79           HA       HIS  79  -5.554 -15.839  23.066
  624   1HB   HIS  79          2HB       HIS  79  -8.000 -14.847  22.872
  625   2HB   HIS  79          1HB       HIS  79  -8.252 -16.256  21.851
  626    HD1  HIS  79           1HD      HIS  79  -9.391 -15.593  24.846
  627    HD2  HIS  79           2HD      HIS  79  -6.487 -18.360  23.745
  628    HE1  HIS  79           1HE      HIS  79  -9.358 -17.306  26.685
  629    HE2  HIS  79           2HE      HIS  79  -7.633 -18.999  25.970
  630    H    HIS  80           H        HIS  80  -4.522 -17.652  22.564
  631    HA   HIS  80           HA       HIS  80  -4.501 -18.657  19.874
  632   1HB   HIS  80          2HB       HIS  80  -2.789 -18.787  22.086
  633   2HB   HIS  80          1HB       HIS  80  -3.313 -20.446  21.817
  634    HD1  HIS  80           1HD      HIS  80  -3.038 -18.317  18.795
  635    HD2  HIS  80           2HD      HIS  80  -0.659 -20.988  20.920
  636    HE1  HIS  80           1HE      HIS  80  -1.122 -18.875  17.270
  637    HE2  HIS  80           2HE      HIS  80   0.330 -20.454  18.594
  638    H    HIS  81           H        HIS  81  -5.990 -19.971  19.072
  639    HA   HIS  81           HA       HIS  81  -7.621 -21.580  20.898
  640   1HB   HIS  81          2HB       HIS  81  -8.163 -20.160  18.491
  641   2HB   HIS  81          1HB       HIS  81  -8.449 -21.870  18.182
  642    HD1  HIS  81           1HD      HIS  81  -9.149 -21.467  21.626
  643    HD2  HIS  81           2HD      HIS  81 -11.165 -20.495  18.126
  644    HE1  HIS  81           1HE      HIS  81 -11.551 -21.179  22.296
  645    HE2  HIS  81           2HE      HIS  81 -12.739 -20.511  20.177
  646    H    HIS  82           H        HIS  82  -7.093 -23.625  21.241
  647    HA   HIS  82           HA       HIS  82  -5.328 -24.999  19.369
  648   1HB   HIS  82          2HB       HIS  82  -5.509 -24.966  22.142
  649   2HB   HIS  82          1HB       HIS  82  -6.175 -26.534  21.700
  650    HD1  HIS  82           1HD      HIS  82  -4.535 -28.329  21.080
  651    HD2  HIS  82           2HD      HIS  82  -2.809 -24.554  21.204
  652    HE1  HIS  82           1HE      HIS  82  -2.062 -28.713  20.803
  653    HE2  HIS  82           2HE      HIS  82  -1.030 -26.424  20.997
  Start of MODEL   14
    1   1H    MET   1          1HT       MET   1  -8.471   7.619 -17.493
    2   2H    MET   1          2HT       MET   1  -8.035   8.539 -16.113
    3   3H    MET   1          3HT       MET   1  -9.416   7.519 -16.067
    4    HA   MET   1           HA       MET   1  -7.167   6.053 -16.835
    5   1HB   MET   1          2HB       MET   1  -5.931   6.268 -14.680
    6   2HB   MET   1          1HB       MET   1  -5.870   7.724 -15.665
    7   1HG   MET   1          2HG       MET   1  -7.910   8.456 -14.230
    8   2HG   MET   1          1HG       MET   1  -7.330   7.223 -13.110
    9   1HE   MET   1          1HE       MET   1  -6.375  10.921 -11.878
   10   2HE   MET   1          2HE       MET   1  -7.770   9.915 -12.214
   11   3HE   MET   1          3HE       MET   1  -7.179  11.011 -13.441
   12    H    GLN   2           H        GLN   2  -6.804   4.396 -14.896
   13    HA   GLN   2           HA       GLN   2  -8.898   3.839 -13.134
   14   1HB   GLN   2          2HB       GLN   2  -9.855   3.433 -15.595
   15   2HB   GLN   2          1HB       GLN   2  -9.073   1.873 -15.355
   16   1HG   GLN   2          2HG       GLN   2 -11.386   1.726 -14.720
   17   2HG   GLN   2          1HG       GLN   2 -10.365   1.569 -13.286
   18   1HE2  GLN   2          1HE2      GLN   2 -10.685   2.900 -11.623
   19   2HE2  GLN   2          2HE2      GLN   2 -11.761   4.256 -11.624
   20    H    ILE   3           H        ILE   3  -8.156   2.472 -11.679
   21    HA   ILE   3           HA       ILE   3  -5.971   0.634 -12.439
   22    HB   ILE   3           HB       ILE   3  -5.134   0.910 -10.073
   23   1HG1  ILE   3          2HG1      ILE   3  -5.974   3.514  -9.533
   24   2HG1  ILE   3          1HG1      ILE   3  -7.442   2.665 -10.001
   25   1HG2  ILE   3          1HG2      ILE   3  -5.045   3.096 -12.120
   26   2HG2  ILE   3          2HG2      ILE   3  -3.809   1.908 -11.701
   27   3HG2  ILE   3          3HG2      ILE   3  -4.160   3.241 -10.600
   28   1HD1  ILE   3          1HD1      ILE   3  -5.856   2.456  -7.581
   29   2HD1  ILE   3          2HD1      ILE   3  -6.254   0.895  -8.295
   30   3HD1  ILE   3          3HD1      ILE   3  -7.541   2.031  -7.880
   31    H    PHE   4           H        PHE   4  -5.663  -1.144 -10.822
   32    HA   PHE   4           HA       PHE   4  -8.262  -2.116  -9.824
   33   1HB   PHE   4          2HB       PHE   4  -5.998  -3.644 -11.122
   34   2HB   PHE   4          1HB       PHE   4  -7.320  -4.427 -10.258
   35    HD1  PHE   4           1HD      PHE   4  -6.749  -1.966 -13.010
   36    HD2  PHE   4           2HD      PHE   4  -9.159  -5.112 -11.456
   37    HE1  PHE   4           1HE      PHE   4  -8.096  -1.946 -15.071
   38    HE2  PHE   4           2HE      PHE   4 -10.509  -5.099 -13.511
   39    HZ   PHE   4           HZ       PHE   4  -9.978  -3.515 -15.322
   40    H    VAL   5           H        VAL   5  -8.309  -2.957  -7.757
   41    HA   VAL   5           HA       VAL   5  -5.768  -3.262  -6.345
   42    HB   VAL   5           HB       VAL   5  -8.014  -1.576  -5.237
   43   1HG1  VAL   5          1HG1      VAL   5  -6.039  -0.937  -3.664
   44   2HG1  VAL   5          2HG1      VAL   5  -5.371  -2.485  -4.186
   45   3HG1  VAL   5          3HG1      VAL   5  -6.939  -2.427  -3.383
   46   1HG2  VAL   5          1HG2      VAL   5  -6.258   0.268  -5.469
   47   2HG2  VAL   5          2HG2      VAL   5  -7.083  -0.258  -6.938
   48   3HG2  VAL   5          3HG2      VAL   5  -5.447  -0.817  -6.598
   49    H    LYS   6           H        LYS   6  -5.729  -4.975  -5.085
   50    HA   LYS   6           HA       LYS   6  -8.164  -6.497  -4.670
   51   1HB   LYS   6          2HB       LYS   6  -5.563  -7.224  -5.237
   52   2HB   LYS   6          1HB       LYS   6  -5.708  -7.598  -3.522
   53   1HG   LYS   6          2HG       LYS   6  -7.819  -8.852  -4.108
   54   2HG   LYS   6          1HG       LYS   6  -7.347  -8.675  -5.798
   55   1HD   LYS   6          2HD       LYS   6  -5.096  -9.685  -5.032
   56   2HD   LYS   6          1HD       LYS   6  -5.996 -10.207  -3.608
   57   1HE   LYS   6          2HE       LYS   6  -7.509 -11.486  -4.951
   58   2HE   LYS   6          1HE       LYS   6  -6.820 -10.828  -6.440
   59   1HZ   LYS   6          1HZ       LYS   6  -4.777 -11.966  -6.008
   60   2HZ   LYS   6          2HZ       LYS   6  -6.038 -13.090  -5.904
   61   3HZ   LYS   6          3HZ       LYS   6  -5.319 -12.494  -4.496
   62    H    THR   7           H        THR   7  -9.277  -6.524  -2.855
   63    HA   THR   7           HA       THR   7  -8.235  -5.117  -0.534
   64    HB   THR   7           HB       THR   7 -10.963  -6.375  -0.801
   65    HG1  THR   7           1HG      THR   7  -9.914  -4.167  -2.066
   66   1HG2  THR   7          1HG2      THR   7  -9.955  -5.262   1.386
   67   2HG2  THR   7          2HG2      THR   7 -11.644  -5.112   0.942
   68   3HG2  THR   7          3HG2      THR   7 -10.512  -3.807   0.586
   69    H    LEU   8           H        LEU   8  -9.292  -6.286   1.636
   70    HA   LEU   8           HA       LEU   8  -7.643  -8.576   1.964
   71   1HB   LEU   8          2HB       LEU   8  -9.222  -6.785   3.654
   72   2HB   LEU   8          1HB       LEU   8  -9.243  -8.447   4.208
   73    HG   LEU   8           HG       LEU   8  -6.691  -8.362   4.043
   74   1HD1  LEU   8          1HD1      LEU   8  -5.677  -6.170   4.180
   75   2HD1  LEU   8          2HD1      LEU   8  -7.255  -5.401   4.046
   76   3HD1  LEU   8          3HD1      LEU   8  -6.597  -6.312   2.683
   77   1HD2  LEU   8          1HD2      LEU   8  -8.462  -7.090   6.046
   78   2HD2  LEU   8          2HD2      LEU   8  -6.741  -6.824   6.201
   79   3HD2  LEU   8          3HD2      LEU   8  -7.361  -8.455   6.211
   80    H    THR   9           H        THR   9 -11.008  -8.036   1.297
   81    HA   THR   9           HA       THR   9 -11.755 -10.751   1.977
   82    HB   THR   9           HB       THR   9 -13.575  -8.984   0.424
   83    HG1  THR   9           1HG      THR   9 -13.233  -8.587   3.190
   84   1HG2  THR   9          1HG2      THR   9 -14.992  -9.809   2.526
   85   2HG2  THR   9          2HG2      THR   9 -13.808 -11.110   2.452
   86   3HG2  THR   9          3HG2      THR   9 -14.820 -10.754   1.049
   87    H    GLY  10           H        GLY  10 -10.292  -9.305  -0.674
   88   1HA   GLY  10          2HA       GLY  10  -9.580 -10.614  -2.528
   89   2HA   GLY  10          1HA       GLY  10 -11.020 -11.602  -2.341
   90    H    ALA  11           H        ALA  11 -12.093  -8.599  -1.949
   91    HA   ALA  11           HA       ALA  11 -13.165  -8.483  -4.635
   92   1HB   ALA  11          1HB       ALA  11 -13.980  -7.612  -2.046
   93   2HB   ALA  11          2HB       ALA  11 -14.922  -7.718  -3.535
   94   3HB   ALA  11          3HB       ALA  11 -14.027  -6.246  -3.162
   95    H    THR  12           H        THR  12 -12.129  -7.456  -6.220
   96    HA   THR  12           HA       THR  12 -10.110  -5.494  -5.721
   97    HB   THR  12           HB       THR  12 -10.437  -5.272  -8.356
   98    HG1  THR  12           1HG      THR  12 -11.490  -7.841  -7.794
   99   1HG2  THR  12          1HG2      THR  12  -8.392  -6.127  -7.752
  100   2HG2  THR  12          2HG2      THR  12  -9.128  -7.492  -8.591
  101   3HG2  THR  12          3HG2      THR  12  -9.097  -7.450  -6.827
  102    H    ILE  13           H        ILE  13 -10.300  -3.304  -5.762
  103    HA   ILE  13           HA       ILE  13 -12.963  -2.226  -6.427
  104    HB   ILE  13           HB       ILE  13 -12.416  -0.350  -4.901
  105   1HG1  ILE  13          2HG1      ILE  13 -10.086  -2.072  -4.029
  106   2HG1  ILE  13          1HG1      ILE  13  -9.928  -0.643  -5.045
  107   1HG2  ILE  13          1HG2      ILE  13 -13.712  -2.385  -4.219
  108   2HG2  ILE  13          2HG2      ILE  13 -12.938  -1.515  -2.897
  109   3HG2  ILE  13          3HG2      ILE  13 -12.225  -3.008  -3.504
  110   1HD1  ILE  13          1HD1      ILE  13  -9.837  -0.738  -2.284
  111   2HD1  ILE  13          2HD1      ILE  13 -11.432  -0.076  -2.649
  112   3HD1  ILE  13          3HD1      ILE  13  -9.988   0.703  -3.286
  113    H    THR  14           H        THR  14 -13.155  -0.487  -7.726
  114    HA   THR  14           HA       THR  14 -10.810   0.277  -9.292
  115    HB   THR  14           HB       THR  14 -12.586   1.464 -10.700
  116    HG1  THR  14           1HG      THR  14 -14.187   1.475  -9.028
  117   1HG2  THR  14          1HG2      THR  14 -12.023  -0.443 -11.768
  118   2HG2  THR  14          2HG2      THR  14 -13.673  -0.879 -11.318
  119   3HG2  THR  14          3HG2      THR  14 -12.314  -1.455 -10.355
  120    H    LEU  15           H        LEU  15  -9.715   2.117  -8.853
  121    HA   LEU  15           HA       LEU  15 -11.202   4.367  -7.718
  122   1HB   LEU  15          2HB       LEU  15  -8.826   2.997  -6.531
  123   2HB   LEU  15          1HB       LEU  15  -9.058   4.722  -6.267
  124    HG   LEU  15           HG       LEU  15 -11.101   2.619  -5.558
  125   1HD1  LEU  15          1HD1      LEU  15  -8.918   3.891  -3.933
  126   2HD1  LEU  15          2HD1      LEU  15  -9.281   2.181  -4.145
  127   3HD1  LEU  15          3HD1      LEU  15 -10.363   3.194  -3.194
  128   1HD2  LEU  15          1HD2      LEU  15 -11.790   5.050  -6.017
  129   2HD2  LEU  15          2HD2      LEU  15 -10.943   5.430  -4.519
  130   3HD2  LEU  15          3HD2      LEU  15 -12.308   4.314  -4.503
  131    H    GLU  16           H        GLU  16 -10.001   6.374  -7.736
  132    HA   GLU  16           HA       GLU  16  -8.247   6.578 -10.091
  133   1HB   GLU  16          2HB       GLU  16 -10.615   7.810  -9.803
  134   2HB   GLU  16          1HB       GLU  16  -9.600   8.985  -8.983
  135   1HG   GLU  16          2HG       GLU  16  -8.457   9.529 -10.886
  136   2HG   GLU  16          1HG       GLU  16  -8.813   8.001 -11.679
  137    H    VAL  17           H        VAL  17  -6.195   7.314  -9.763
  138    HA   VAL  17           HA       VAL  17  -5.446   7.941  -7.041
  139    HB   VAL  17           HB       VAL  17  -3.114   7.978  -7.968
  140   1HG1  VAL  17          1HG1      VAL  17  -3.807   5.380  -8.895
  141   2HG1  VAL  17          2HG1      VAL  17  -4.868   5.794  -7.546
  142   3HG1  VAL  17          3HG1      VAL  17  -3.118   5.853  -7.340
  143   1HG2  VAL  17          1HG2      VAL  17  -3.602   8.629 -10.248
  144   2HG2  VAL  17          2HG2      VAL  17  -4.524   7.148 -10.503
  145   3HG2  VAL  17          3HG2      VAL  17  -2.787   7.065 -10.238
  146    H    GLU  18           H        GLU  18  -3.869   9.692  -6.618
  147    HA   GLU  18           HA       GLU  18  -4.087  12.060  -8.302
  148   1HB   GLU  18          2HB       GLU  18  -5.297  11.790  -5.584
  149   2HB   GLU  18          1HB       GLU  18  -4.626  13.340  -6.064
  150   1HG   GLU  18          2HG       GLU  18  -6.415  12.097  -8.031
  151   2HG   GLU  18          1HG       GLU  18  -7.176  12.550  -6.510
  152    H    SER  19           H        SER  19  -2.507  13.642  -7.863
  153    HA   SER  19           HA       SER  19  -0.052  12.587  -6.905
  154   1HB   SER  19          2HB       SER  19  -0.098  14.287  -8.663
  155   2HB   SER  19          1HB       SER  19  -0.821  15.448  -7.548
  156    HG   SER  19           HG       SER  19   1.461  14.347  -6.553
  157    H    SER  20           H        SER  20  -2.551  14.631  -5.565
  158    HA   SER  20           HA       SER  20  -1.059  15.309  -3.195
  159   1HB   SER  20          2HB       SER  20  -3.231  16.305  -2.444
  160   2HB   SER  20          1HB       SER  20  -2.677  16.902  -4.004
  161    HG   SER  20           HG       SER  20  -4.148  15.505  -5.003
  162    H    ASP  21           H        ASP  21  -2.034  12.425  -4.040
  163    HA   ASP  21           HA       ASP  21  -3.540  11.650  -1.702
  164   1HB   ASP  21          2HB       ASP  21  -3.518  10.650  -4.182
  165   2HB   ASP  21          1HB       ASP  21  -2.302   9.619  -3.459
  166    H    THR  22           H        THR  22  -2.518  11.513   0.187
  167    HA   THR  22           HA       THR  22   0.215  10.423   0.232
  168    HB   THR  22           HB       THR  22  -0.124  11.552   2.695
  169    HG1  THR  22           1HG      THR  22  -2.061  12.527   2.200
  170   1HG2  THR  22          1HG2      THR  22   1.216  13.406   1.913
  171   2HG2  THR  22          2HG2      THR  22   0.857  12.974   0.240
  172   3HG2  THR  22          3HG2      THR  22   1.801  11.880   1.246
  173    H    ILE  23           H        ILE  23   0.694   9.463   2.519
  174    HA   ILE  23           HA       ILE  23  -0.951   7.150   2.779
  175    HB   ILE  23           HB       ILE  23   1.137   8.061   4.757
  176   1HG1  ILE  23          2HG1      ILE  23   2.021   8.105   2.433
  177   2HG1  ILE  23          1HG1      ILE  23   2.783   6.880   3.416
  178   1HG2  ILE  23          1HG2      ILE  23   0.101   6.248   5.712
  179   2HG2  ILE  23          2HG2      ILE  23   1.386   5.458   4.796
  180   3HG2  ILE  23          3HG2      ILE  23  -0.259   5.494   4.163
  181   1HD1  ILE  23          1HD1      ILE  23   1.670   5.139   2.334
  182   2HD1  ILE  23          2HD1      ILE  23   2.163   6.246   1.053
  183   3HD1  ILE  23          3HD1      ILE  23   0.493   6.236   1.615
  184    H    ASP  24           H        ASP  24  -0.891  10.243   4.370
  185    HA   ASP  24           HA       ASP  24  -2.485   9.345   6.625
  186   1HB   ASP  24          2HB       ASP  24  -2.530  11.767   7.219
  187   2HB   ASP  24          1HB       ASP  24  -0.901  11.113   7.044
  188    H    ASN  25           H        ASN  25  -2.923  11.005   3.584
  189    HA   ASN  25           HA       ASN  25  -5.491  12.016   3.912
  190   1HB   ASN  25          2HB       ASN  25  -3.727  11.410   1.670
  191   2HB   ASN  25          1HB       ASN  25  -5.429  11.229   1.259
  192   1HD2  ASN  25          1HD2      ASN  25  -3.316  13.465   3.029
  193   2HD2  ASN  25          2HD2      ASN  25  -4.041  14.904   2.413
  194    H    VAL  26           H        VAL  26  -4.448   8.756   3.062
  195    HA   VAL  26           HA       VAL  26  -6.899   7.668   2.280
  196    HB   VAL  26           HB       VAL  26  -4.789   6.195   3.870
  197   1HG1  VAL  26          1HG1      VAL  26  -5.846   4.578   1.865
  198   2HG1  VAL  26          2HG1      VAL  26  -7.236   5.432   2.533
  199   3HG1  VAL  26          3HG1      VAL  26  -6.193   4.485   3.590
  200   1HG2  VAL  26          1HG2      VAL  26  -3.539   5.861   1.937
  201   2HG2  VAL  26          2HG2      VAL  26  -4.007   7.554   1.818
  202   3HG2  VAL  26          3HG2      VAL  26  -4.869   6.341   0.881
  203    H    LYS  27           H        LYS  27  -5.542   8.238   5.461
  204    HA   LYS  27           HA       LYS  27  -7.321   6.771   7.026
  205   1HB   LYS  27          2HB       LYS  27  -5.119   8.020   7.630
  206   2HB   LYS  27          1HB       LYS  27  -6.195   9.364   7.983
  207   1HG   LYS  27          2HG       LYS  27  -7.327   7.179   9.260
  208   2HG   LYS  27          1HG       LYS  27  -5.601   7.018   9.544
  209   1HD   LYS  27          2HD       LYS  27  -5.959   9.657  10.013
  210   2HD   LYS  27          1HD       LYS  27  -7.527   9.027  10.514
  211   1HE   LYS  27          2HE       LYS  27  -5.503   7.323  11.558
  212   2HE   LYS  27          1HE       LYS  27  -5.076   8.992  11.935
  213   1HZ   LYS  27          1HZ       LYS  27  -7.331   7.399  12.860
  214   2HZ   LYS  27          2HZ       LYS  27  -7.641   9.032  12.548
  215   3HZ   LYS  27          3HZ       LYS  27  -6.449   8.597  13.666
  216    H    SER  28           H        SER  28  -7.477  10.184   6.049
  217    HA   SER  28           HA       SER  28  -9.826  10.811   7.442
  218   1HB   SER  28          2HB       SER  28  -8.109  12.071   5.488
  219   2HB   SER  28          1HB       SER  28  -9.804  12.422   5.148
  220    HG   SER  28           HG       SER  28  -9.141  12.609   7.807
  221    H    LYS  29           H        LYS  29  -9.369   9.702   4.094
  222    HA   LYS  29           HA       LYS  29 -12.103   9.883   3.396
  223   1HB   LYS  29          2HB       LYS  29  -9.848   8.299   2.168
  224   2HB   LYS  29          1HB       LYS  29 -11.455   8.416   1.465
  225   1HG   LYS  29          2HG       LYS  29 -11.197  10.830   1.256
  226   2HG   LYS  29          1HG       LYS  29  -9.589  10.722   1.973
  227   1HD   LYS  29          2HD       LYS  29  -9.503   8.874  -0.076
  228   2HD   LYS  29          1HD       LYS  29 -10.457  10.193  -0.757
  229   1HE   LYS  29          2HE       LYS  29  -7.798  10.573   0.604
  230   2HE   LYS  29          1HE       LYS  29  -7.981  10.356  -1.132
  231   1HZ   LYS  29          1HZ       LYS  29  -9.125  12.375  -1.322
  232   2HZ   LYS  29          2HZ       LYS  29  -7.835  12.713  -0.282
  233   3HZ   LYS  29          3HZ       LYS  29  -9.390  12.500   0.346
  234    H    ILE  30           H        ILE  30 -10.791   7.807   5.616
  235    HA   ILE  30           HA       ILE  30 -12.485   5.558   4.847
  236    HB   ILE  30           HB       ILE  30 -10.731   5.804   7.296
  237   1HG1  ILE  30          2HG1      ILE  30  -9.978   4.267   4.831
  238   2HG1  ILE  30          1HG1      ILE  30  -9.646   5.987   4.924
  239   1HG2  ILE  30          1HG2      ILE  30 -12.590   3.823   6.339
  240   2HG2  ILE  30          2HG2      ILE  30 -11.715   3.894   7.868
  241   3HG2  ILE  30          3HG2      ILE  30 -10.966   3.146   6.457
  242   1HD1  ILE  30          1HD1      ILE  30  -7.978   4.019   5.759
  243   2HD1  ILE  30          2HD1      ILE  30  -8.786   4.475   7.235
  244   3HD1  ILE  30          3HD1      ILE  30  -7.931   5.681   6.313
  245    H    GLN  31           H        GLN  31 -13.441   8.275   5.716
  246    HA   GLN  31           HA       GLN  31 -14.742   7.704   8.262
  247   1HB   GLN  31          2HB       GLN  31 -14.315  10.101   6.575
  248   2HB   GLN  31          1HB       GLN  31 -15.800  10.069   7.517
  249   1HG   GLN  31          2HG       GLN  31 -14.097   9.363   9.431
  250   2HG   GLN  31          1HG       GLN  31 -12.987  10.269   8.403
  251   1HE2  GLN  31          1HE2      GLN  31 -13.638  12.469   7.826
  252   2HE2  GLN  31          2HE2      GLN  31 -14.544  13.398   8.967
  253    H    ALA  32           H        ALA  32 -15.448   6.081   5.954
  254    HA   ALA  32           HA       ALA  32 -18.226   6.926   5.488
  255   1HB   ALA  32          1HB       ALA  32 -18.206   5.422   3.562
  256   2HB   ALA  32          2HB       ALA  32 -16.545   4.963   3.937
  257   3HB   ALA  32          3HB       ALA  32 -16.914   6.617   3.463
  258    H    ALA  33           H        ALA  33 -16.773   3.679   5.340
  259    HA   ALA  33           HA       ALA  33 -19.018   2.668   6.900
  260   1HB   ALA  33          1HB       ALA  33 -17.830   1.666   4.699
  261   2HB   ALA  33          2HB       ALA  33 -18.723   0.686   5.862
  262   3HB   ALA  33          3HB       ALA  33 -16.966   0.774   5.953
  263    HA   PRO  34           HA       PRO  34 -16.423   2.646  10.562
  264   1HB   PRO  34          2HB       PRO  34 -18.216   1.506  12.244
  265   2HB   PRO  34          1HB       PRO  34 -18.309   3.202  11.753
  266   1HG   PRO  34          2HG       PRO  34 -19.839   0.844  10.736
  267   2HG   PRO  34          1HG       PRO  34 -20.407   2.490  11.075
  268   1HD   PRO  34          2HD       PRO  34 -19.842   1.592   8.565
  269   2HD   PRO  34          1HD       PRO  34 -19.682   3.292   9.050
  270    H    GLY  35           H        GLY  35 -16.012   0.900  12.363
  271   1HA   GLY  35          2HA       GLY  35 -15.756  -1.409  12.903
  272   2HA   GLY  35          1HA       GLY  35 -16.014  -1.805  11.211
  273    H    ILE  36           H        ILE  36 -14.299  -1.134   9.710
  274    HA   ILE  36           HA       ILE  36 -11.798  -2.097  10.546
  275    HB   ILE  36           HB       ILE  36 -10.969  -1.472   8.335
  276   1HG1  ILE  36          2HG1      ILE  36 -12.192   0.714   8.177
  277   2HG1  ILE  36          1HG1      ILE  36 -12.319  -0.275   6.728
  278   1HG2  ILE  36          1HG2      ILE  36 -12.754  -3.377   8.903
  279   2HG2  ILE  36          2HG2      ILE  36 -12.089  -3.135   7.284
  280   3HG2  ILE  36          3HG2      ILE  36 -13.672  -2.480   7.694
  281   1HD1  ILE  36          1HD1      ILE  36 -14.418   0.883   7.488
  282   2HD1  ILE  36          2HD1      ILE  36 -14.445  -0.230   8.837
  283   3HD1  ILE  36          3HD1      ILE  36 -14.553  -0.847   7.198
  284    HA   PRO  37           HA       PRO  37  -9.832   1.664  11.862
  285   1HB   PRO  37          2HB       PRO  37  -7.308   0.825  12.024
  286   2HB   PRO  37          1HB       PRO  37  -8.553   0.137  13.071
  287   1HG   PRO  37          2HG       PRO  37  -7.291  -1.011  10.641
  288   2HG   PRO  37          1HG       PRO  37  -7.817  -1.825  12.111
  289   1HD   PRO  37          2HD       PRO  37  -9.209  -1.672   9.673
  290   2HD   PRO  37          1HD       PRO  37  -9.877  -2.197  11.234
  291    HA   PRO  38           HA       PRO  38  -8.240   3.485   8.103
  292   1HB   PRO  38          2HB       PRO  38  -7.835   5.968   8.967
  293   2HB   PRO  38          1HB       PRO  38  -9.461   5.325   8.832
  294   1HG   PRO  38          2HG       PRO  38  -7.761   5.675  11.259
  295   2HG   PRO  38          1HG       PRO  38  -9.509   5.925  11.060
  296   1HD   PRO  38          2HD       PRO  38  -8.325   3.659  12.151
  297   2HD   PRO  38          1HD       PRO  38  -9.975   3.742  11.505
  298    H    ASP  39           H        ASP  39  -6.452   3.803  11.101
  299    HA   ASP  39           HA       ASP  39  -3.990   4.565   9.834
  300   1HB   ASP  39          2HB       ASP  39  -4.800   5.116  12.232
  301   2HB   ASP  39          1HB       ASP  39  -4.210   3.502  12.633
  302    H    GLN  40           H        GLN  40  -5.635   1.720   9.967
  303    HA   GLN  40           HA       GLN  40  -3.229   0.065  10.155
  304   1HB   GLN  40          2HB       GLN  40  -5.714  -0.297  11.244
  305   2HB   GLN  40          1HB       GLN  40  -5.798  -1.295   9.792
  306   1HG   GLN  40          2HG       GLN  40  -5.074  -2.664  11.602
  307   2HG   GLN  40          1HG       GLN  40  -3.712  -2.418  10.511
  308   1HE2  GLN  40          1HE2      GLN  40  -3.977  -3.025  13.475
  309   2HE2  GLN  40          2HE2      GLN  40  -2.945  -1.860  14.233
  310    H    GLN  41           H        GLN  41  -4.450   1.782   7.814
  311    HA   GLN  41           HA       GLN  41  -4.305  -0.380   5.812
  312   1HB   GLN  41          2HB       GLN  41  -5.897   2.142   5.928
  313   2HB   GLN  41          1HB       GLN  41  -5.404   1.525   4.352
  314   1HG   GLN  41          2HG       GLN  41  -6.416  -0.691   5.086
  315   2HG   GLN  41          1HG       GLN  41  -7.158   0.222   6.404
  316   1HE2  GLN  41          1HE2      GLN  41  -8.867  -1.001   4.844
  317   2HE2  GLN  41          2HE2      GLN  41  -9.654   0.085   3.758
  318    H    GLU  42           H        GLU  42  -2.724  -0.350   4.362
  319    HA   GLU  42           HA       GLU  42  -1.361   2.092   3.648
  320   1HB   GLU  42          2HB       GLU  42  -0.343   0.614   5.767
  321   2HB   GLU  42          1HB       GLU  42   0.658   0.161   4.397
  322   1HG   GLU  42          2HG       GLU  42   0.705   2.774   4.021
  323   2HG   GLU  42          1HG       GLU  42   0.364   2.784   5.752
  324    H    LEU  43           H        LEU  43   0.171   1.813   1.855
  325    HA   LEU  43           HA       LEU  43  -0.619  -0.442   0.165
  326   1HB   LEU  43          2HB       LEU  43   0.016   2.288  -0.313
  327   2HB   LEU  43          1HB       LEU  43   1.243   1.317  -1.103
  328    HG   LEU  43           HG       LEU  43  -1.631   0.664  -1.546
  329   1HD1  LEU  43          1HD1      LEU  43  -0.263   2.579  -3.368
  330   2HD1  LEU  43          2HD1      LEU  43  -1.017   3.188  -1.896
  331   3HD1  LEU  43          3HD1      LEU  43  -1.988   2.318  -3.084
  332   1HD2  LEU  43          1HD2      LEU  43   0.074   0.545  -3.839
  333   2HD2  LEU  43          2HD2      LEU  43  -0.771  -0.762  -3.014
  334   3HD2  LEU  43          3HD2      LEU  43   0.845  -0.292  -2.496
  335    H    ILE  44           H        ILE  44   0.844  -1.983  -0.530
  336    HA   ILE  44           HA       ILE  44   3.639  -1.691   0.196
  337    HB   ILE  44           HB       ILE  44   3.760  -3.831   1.385
  338   1HG1  ILE  44          2HG1      ILE  44   1.327  -4.421   2.313
  339   2HG1  ILE  44          1HG1      ILE  44   0.877  -3.853   0.718
  340   1HG2  ILE  44          1HG2      ILE  44   3.751  -2.261   3.004
  341   2HG2  ILE  44          2HG2      ILE  44   2.168  -2.947   3.367
  342   3HG2  ILE  44          3HG2      ILE  44   2.293  -1.492   2.401
  343   1HD1  ILE  44          1HD1      ILE  44   1.658  -6.396   1.380
  344   2HD1  ILE  44          2HD1      ILE  44   3.115  -5.694   0.692
  345   3HD1  ILE  44          3HD1      ILE  44   1.634  -5.706  -0.234
  346    H    PHE  45           H        PHE  45   5.013  -2.735  -1.156
  347    HA   PHE  45           HA       PHE  45   3.845  -4.131  -3.413
  348   1HB   PHE  45          2HB       PHE  45   6.644  -3.248  -2.767
  349   2HB   PHE  45          1HB       PHE  45   6.272  -4.224  -4.183
  350    HD1  PHE  45           1HD      PHE  45   5.389  -3.252  -6.132
  351    HD2  PHE  45           2HD      PHE  45   5.648  -0.969  -2.554
  352    HE1  PHE  45           1HE      PHE  45   4.840  -1.215  -7.397
  353    HE2  PHE  45           2HE      PHE  45   5.100   1.073  -3.819
  354    HZ   PHE  45           HZ       PHE  45   4.697   0.953  -6.238
  355    H    ALA  46           H        ALA  46   3.890  -5.305  -0.657
  356    HA   ALA  46           HA       ALA  46   4.071  -7.388   0.265
  357   1HB   ALA  46          1HB       ALA  46   3.484  -8.848  -1.320
  358   2HB   ALA  46          2HB       ALA  46   5.200  -9.028  -1.687
  359   3HB   ALA  46          3HB       ALA  46   4.221  -7.871  -2.589
  360    H    GLY  47           H        GLY  47   6.773  -7.111  -2.048
  361   1HA   GLY  47          2HA       GLY  47   8.625  -7.802   0.127
  362   2HA   GLY  47          1HA       GLY  47   8.997  -7.828  -1.597
  363    H    LYS  48           H        LYS  48   7.365  -5.066  -1.435
  364    HA   LYS  48           HA       LYS  48   9.678  -3.481  -0.494
  365   1HB   LYS  48          2HB       LYS  48   8.456  -3.572  -3.122
  366   2HB   LYS  48          1HB       LYS  48   8.386  -1.948  -2.444
  367   1HG   LYS  48          2HG       LYS  48  10.417  -1.756  -3.367
  368   2HG   LYS  48          1HG       LYS  48  10.949  -2.593  -1.909
  369   1HD   LYS  48          2HD       LYS  48  10.156  -4.633  -3.618
  370   2HD   LYS  48          1HD       LYS  48  10.979  -3.474  -4.673
  371   1HE   LYS  48          2HE       LYS  48  12.911  -3.497  -3.156
  372   2HE   LYS  48          1HE       LYS  48  12.090  -4.677  -2.139
  373   1HZ   LYS  48          1HZ       LYS  48  12.708  -5.153  -5.000
  374   2HZ   LYS  48          2HZ       LYS  48  12.200  -6.286  -3.850
  375   3HZ   LYS  48          3HZ       LYS  48  13.746  -5.606  -3.744
  376    H    GLN  49           H        GLN  49   9.025  -2.486   1.295
  377    HA   GLN  49           HA       GLN  49   6.231  -1.792   1.661
  378   1HB   GLN  49          2HB       GLN  49   6.874  -1.245   3.950
  379   2HB   GLN  49          1HB       GLN  49   7.442  -2.848   3.497
  380   1HG   GLN  49          2HG       GLN  49   9.543  -2.309   3.939
  381   2HG   GLN  49          1HG       GLN  49   9.447  -0.864   2.926
  382   1HE2  GLN  49          1HE2      GLN  49   9.144  -2.136   6.151
  383   2HE2  GLN  49          2HE2      GLN  49   9.115  -0.612   6.966
  384    H    LEU  50           H        LEU  50   5.384   0.218   1.701
  385    HA   LEU  50           HA       LEU  50   7.057   2.360   0.682
  386   1HB   LEU  50          2HB       LEU  50   4.100   2.425   1.268
  387   2HB   LEU  50          1HB       LEU  50   5.010   3.548   0.276
  388    HG   LEU  50           HG       LEU  50   4.385   0.668  -0.362
  389   1HD1  LEU  50          1HD1      LEU  50   2.559   2.238  -0.738
  390   2HD1  LEU  50          2HD1      LEU  50   3.193   1.607  -2.259
  391   3HD1  LEU  50          3HD1      LEU  50   3.610   3.237  -1.732
  392   1HD2  LEU  50          1HD2      LEU  50   6.018   0.605  -1.861
  393   2HD2  LEU  50          2HD2      LEU  50   6.677   2.047  -1.106
  394   3HD2  LEU  50          3HD2      LEU  50   5.603   2.194  -2.490
  395    H    GLU  51           H        GLU  51   7.033   4.487   1.565
  396    HA   GLU  51           HA       GLU  51   7.139   4.455   4.485
  397   1HB   GLU  51          2HB       GLU  51   8.216   6.280   2.366
  398   2HB   GLU  51          1HB       GLU  51   8.071   6.852   4.021
  399   1HG   GLU  51          2HG       GLU  51   9.347   4.266   3.918
  400   2HG   GLU  51          1HG       GLU  51  10.187   5.442   2.902
  401    H    ASP  52           H        ASP  52   5.684   5.407   5.747
  402    HA   ASP  52           HA       ASP  52   3.233   6.339   4.767
  403   1HB   ASP  52          2HB       ASP  52   4.456   5.930   7.361
  404   2HB   ASP  52          1HB       ASP  52   3.452   7.374   7.342
  405    H    GLY  53           H        GLY  53   6.173   8.026   5.701
  406   1HA   GLY  53          2HA       GLY  53   4.920  10.632   5.513
  407   2HA   GLY  53          1HA       GLY  53   6.625  10.316   5.803
  408    H    ARG  54           H        ARG  54   5.532   8.520   3.168
  409    HA   ARG  54           HA       ARG  54   6.797  10.427   1.350
  410   1HB   ARG  54          2HB       ARG  54   6.457   7.476   1.393
  411   2HB   ARG  54          1HB       ARG  54   6.499   8.251  -0.182
  412   1HG   ARG  54          2HG       ARG  54   8.634   9.372   1.201
  413   2HG   ARG  54          1HG       ARG  54   8.654   7.671   1.646
  414   1HD   ARG  54          2HD       ARG  54   8.577   7.059  -0.731
  415   2HD   ARG  54          1HD       ARG  54   8.611   8.766  -1.148
  416    HE   ARG  54           HE       ARG  54  10.808   7.742   0.460
  417   1HH1  ARG  54          1HH1      ARG  54   9.675   8.761  -2.684
  418   2HH1  ARG  54          2HH1      ARG  54  11.253   8.974  -3.324
  419   1HH2  ARG  54          1HH2      ARG  54  12.891   8.004  -0.401
  420   2HH2  ARG  54          2HH2      ARG  54  13.083   8.528  -2.041
  421    H    THR  55           H        THR  55   5.796  11.207  -0.482
  422    HA   THR  55           HA       THR  55   2.891  10.985  -0.472
  423    HB   THR  55           HB       THR  55   3.065  12.917  -2.129
  424    HG1  THR  55           1HG      THR  55   5.585  13.503  -1.190
  425   1HG2  THR  55          1HG2      THR  55   2.571  14.063  -0.305
  426   2HG2  THR  55          2HG2      THR  55   4.302  14.287  -0.049
  427   3HG2  THR  55          3HG2      THR  55   3.467  12.939   0.717
  428    H    LEU  56           H        LEU  56   1.928  11.289  -2.846
  429    HA   LEU  56           HA       LEU  56   2.371   8.857  -4.156
  430   1HB   LEU  56          2HB       LEU  56   0.480  10.834  -4.302
  431   2HB   LEU  56          1HB       LEU  56   1.295  10.991  -5.852
  432    HG   LEU  56           HG       LEU  56   0.888   8.268  -5.655
  433   1HD1  LEU  56          1HD1      LEU  56  -1.212   9.727  -4.192
  434   2HD1  LEU  56          2HD1      LEU  56  -0.589   8.106  -3.931
  435   3HD1  LEU  56          3HD1      LEU  56  -1.719   8.415  -5.251
  436   1HD2  LEU  56          1HD2      LEU  56   0.174   8.757  -7.694
  437   2HD2  LEU  56          2HD2      LEU  56   0.055  10.461  -7.271
  438   3HD2  LEU  56          3HD2      LEU  56  -1.322   9.388  -7.018
  439    H    SER  57           H        SER  57   3.352  12.136  -5.098
  440    HA   SER  57           HA       SER  57   4.624  11.537  -7.479
  441   1HB   SER  57          2HB       SER  57   4.498  13.772  -5.671
  442   2HB   SER  57          1HB       SER  57   6.138  13.593  -6.286
  443    HG   SER  57           HG       SER  57   4.987  14.850  -7.720
  444    H    ASP  58           H        ASP  58   5.759  11.057  -4.223
  445    HA   ASP  58           HA       ASP  58   8.520  10.769  -4.835
  446   1HB   ASP  58          2HB       ASP  58   6.858   9.834  -2.495
  447   2HB   ASP  58          1HB       ASP  58   8.589   9.604  -2.601
  448    H    TYR  59           H        TYR  59   5.797   8.645  -5.144
  449    HA   TYR  59           HA       TYR  59   7.557   6.610  -6.270
  450   1HB   TYR  59          2HB       TYR  59   6.359   6.350  -3.667
  451   2HB   TYR  59          1HB       TYR  59   5.671   5.145  -4.748
  452    HD1  TYR  59           1HD      TYR  59   8.043   5.495  -2.364
  453    HD2  TYR  59           2HD      TYR  59   7.729   4.180  -6.401
  454    HE1  TYR  59           1HE      TYR  59  10.051   4.108  -2.064
  455    HE2  TYR  59           2HE      TYR  59   9.736   2.791  -6.109
  456    HH   TYR  59           HH       TYR  59  11.018   2.005  -3.155
  457    H    ASN  60           H        ASN  60   5.721   8.403  -7.456
  458    HA   ASN  60           HA       ASN  60   3.426   6.763  -8.189
  459   1HB   ASN  60          2HB       ASN  60   3.277   9.271  -7.577
  460   2HB   ASN  60          1HB       ASN  60   3.933   9.557  -9.179
  461   1HD2  ASN  60          1HD2      ASN  60   1.931  10.657  -9.567
  462   2HD2  ASN  60          2HD2      ASN  60   0.527   9.756 -10.015
  463    H    ILE  61           H        ILE  61   3.834   5.412  -9.695
  464    HA   ILE  61           HA       ILE  61   5.804   5.819 -11.772
  465    HB   ILE  61           HB       ILE  61   5.111   3.548 -12.509
  466   1HG1  ILE  61          2HG1      ILE  61   3.201   3.762 -10.166
  467   2HG1  ILE  61          1HG1      ILE  61   2.763   3.608 -11.866
  468   1HG2  ILE  61          1HG2      ILE  61   6.502   2.634 -11.009
  469   2HG2  ILE  61          2HG2      ILE  61   5.506   3.128  -9.637
  470   3HG2  ILE  61          3HG2      ILE  61   6.628   4.271 -10.374
  471   1HD1  ILE  61          1HD1      ILE  61   4.229   1.398 -11.606
  472   2HD1  ILE  61          2HD1      ILE  61   2.513   1.474 -11.253
  473   3HD1  ILE  61          3HD1      ILE  61   3.669   1.566  -9.944
  474    H    GLN  62           H        GLN  62   4.525   4.443 -13.892
  475    HA   GLN  62           HA       GLN  62   2.697   6.543 -14.814
  476   1HB   GLN  62          2HB       GLN  62   3.917   4.431 -16.572
  477   2HB   GLN  62          1HB       GLN  62   3.328   6.026 -17.017
  478   1HG   GLN  62          2HG       GLN  62   5.543   6.450 -17.092
  479   2HG   GLN  62          1HG       GLN  62   5.280   6.775 -15.378
  480   1HE2  GLN  62          1HE2      GLN  62   7.670   5.896 -16.835
  481   2HE2  GLN  62          2HE2      GLN  62   8.172   4.429 -16.070
  482    H    LYS  63           H        LYS  63   0.849   5.984 -16.046
  483    HA   LYS  63           HA       LYS  63  -1.035   4.431 -14.945
  484   1HB   LYS  63          2HB       LYS  63  -1.088   5.988 -17.033
  485   2HB   LYS  63          1HB       LYS  63  -0.883   4.503 -17.938
  486   1HG   LYS  63          2HG       LYS  63  -3.068   4.200 -17.862
  487   2HG   LYS  63          1HG       LYS  63  -2.967   4.030 -16.109
  488   1HD   LYS  63          2HD       LYS  63  -3.836   6.069 -15.758
  489   2HD   LYS  63          1HD       LYS  63  -2.865   6.803 -17.035
  490   1HE   LYS  63          2HE       LYS  63  -4.600   5.306 -18.488
  491   2HE   LYS  63          1HE       LYS  63  -5.597   5.751 -17.111
  492   1HZ   LYS  63          1HZ       LYS  63  -4.092   7.953 -18.161
  493   2HZ   LYS  63          2HZ       LYS  63  -5.744   7.845 -17.817
  494   3HZ   LYS  63          3HZ       LYS  63  -5.150   7.284 -19.299
  495    H    GLU  64           H        GLU  64  -1.992   2.399 -15.315
  496    HA   GLU  64           HA       GLU  64  -2.096   0.151 -15.720
  497   1HB   GLU  64          2HB       GLU  64  -0.966   1.011 -18.005
  498   2HB   GLU  64          1HB       GLU  64   0.377   0.075 -17.371
  499   1HG   GLU  64          2HG       GLU  64  -0.699  -1.515 -18.603
  500   2HG   GLU  64          1HG       GLU  64  -1.450  -1.764 -17.031
  501    H    SER  65           H        SER  65  -1.544  -0.007 -13.502
  502    HA   SER  65           HA       SER  65   0.765  -1.631 -13.032
  503   1HB   SER  65          2HB       SER  65   0.633   1.128 -11.807
  504   2HB   SER  65          1HB       SER  65   1.697  -0.158 -11.233
  505    HG   SER  65           HG       SER  65   2.946   0.101 -12.930
  506    H    THR  66           H        THR  66   0.173  -3.120 -11.627
  507    HA   THR  66           HA       THR  66  -2.312  -2.989 -10.252
  508    HB   THR  66           HB       THR  66  -0.124  -4.974  -9.684
  509    HG1  THR  66           1HG      THR  66  -1.355  -6.127 -11.475
  510   1HG2  THR  66          1HG2      THR  66  -2.359  -6.422  -9.881
  511   2HG2  THR  66          2HG2      THR  66  -3.042  -4.904  -9.295
  512   3HG2  THR  66          3HG2      THR  66  -1.786  -5.725  -8.369
  513    H    LEU  67           H        LEU  67  -2.789  -2.745  -8.112
  514    HA   LEU  67           HA       LEU  67  -0.595  -1.782  -6.407
  515   1HB   LEU  67          2HB       LEU  67  -3.508  -0.989  -6.395
  516   2HB   LEU  67          1HB       LEU  67  -2.335  -0.472  -5.200
  517    HG   LEU  67           HG       LEU  67  -1.807   0.108  -8.083
  518   1HD1  LEU  67          1HD1      LEU  67  -2.982   2.340  -7.602
  519   2HD1  LEU  67          2HD1      LEU  67  -3.820   1.461  -6.321
  520   3HD1  LEU  67          3HD1      LEU  67  -3.984   0.944  -8.000
  521   1HD2  LEU  67          1HD2      LEU  67  -0.075   1.134  -7.143
  522   2HD2  LEU  67          2HD2      LEU  67  -0.695   0.796  -5.531
  523   3HD2  LEU  67          3HD2      LEU  67  -1.203   2.254  -6.376
  524    H    HIS  68           H        HIS  68  -0.415  -2.605  -4.335
  525    HA   HIS  68           HA       HIS  68  -2.346  -4.722  -3.641
  526   1HB   HIS  68          2HB       HIS  68  -0.109  -5.579  -4.315
  527   2HB   HIS  68          1HB       HIS  68   0.604  -4.680  -2.981
  528    HD1  HIS  68           1HD      HIS  68   0.434  -5.722  -0.674
  529    HD2  HIS  68           2HD      HIS  68  -1.731  -7.784  -3.532
  530    HE1  HIS  68           1HE      HIS  68  -0.216  -7.887   0.432
  531    HE2  HIS  68           2HE      HIS  68  -1.528  -9.123  -1.329
  532    H    LEU  69           H        LEU  69  -3.460  -4.331  -1.843
  533    HA   LEU  69           HA       LEU  69  -2.236  -2.613   0.219
  534   1HB   LEU  69          2HB       LEU  69  -4.678  -2.279  -1.192
  535   2HB   LEU  69          1HB       LEU  69  -5.099  -2.713   0.447
  536    HG   LEU  69           HG       LEU  69  -3.045  -0.642   0.334
  537   1HD1  LEU  69          1HD1      LEU  69  -5.767   0.196  -0.614
  538   2HD1  LEU  69          2HD1      LEU  69  -4.485  -0.228  -1.752
  539   3HD1  LEU  69          3HD1      LEU  69  -4.255   1.111  -0.622
  540   1HD2  LEU  69          1HD2      LEU  69  -4.917   0.452   1.781
  541   2HD2  LEU  69          2HD2      LEU  69  -4.021  -0.933   2.409
  542   3HD2  LEU  69          3HD2      LEU  69  -5.638  -1.159   1.735
  543    H    VAL  70           H        VAL  70  -1.802  -3.671   2.022
  544    HA   VAL  70           HA       VAL  70  -3.363  -6.084   2.660
  545    HB   VAL  70           HB       VAL  70  -0.995  -6.529   2.162
  546   1HG1  VAL  70          1HG1      VAL  70   0.696  -5.794   3.895
  547   2HG1  VAL  70          2HG1      VAL  70  -0.517  -4.641   4.457
  548   3HG1  VAL  70          3HG1      VAL  70   0.086  -4.545   2.816
  549   1HG2  VAL  70          1HG2      VAL  70  -2.178  -7.096   4.824
  550   2HG2  VAL  70          2HG2      VAL  70  -0.504  -7.538   4.551
  551   3HG2  VAL  70          3HG2      VAL  70  -1.765  -8.192   3.516
  552    H    LEU  71           H        LEU  71  -3.798  -6.557   4.911
  553    HA   LEU  71           HA       LEU  71  -3.749  -4.150   6.613
  554   1HB   LEU  71          2HB       LEU  71  -5.998  -4.852   5.623
  555   2HB   LEU  71          1HB       LEU  71  -5.899  -6.223   6.695
  556    HG   LEU  71           HG       LEU  71  -5.475  -4.190   8.436
  557   1HD1  LEU  71          1HD1      LEU  71  -6.862  -3.106   6.085
  558   2HD1  LEU  71          2HD1      LEU  71  -5.945  -2.287   7.346
  559   3HD1  LEU  71          3HD1      LEU  71  -7.619  -2.755   7.639
  560   1HD2  LEU  71          1HD2      LEU  71  -7.084  -6.164   8.494
  561   2HD2  LEU  71          2HD2      LEU  71  -8.243  -5.103   7.695
  562   3HD2  LEU  71          3HD2      LEU  71  -7.611  -4.680   9.288
  563    H    ARG  72           H        ARG  72  -1.675  -5.216   7.299
  564    HA   ARG  72           HA       ARG  72  -1.960  -7.568   8.985
  565   1HB   ARG  72          2HB       ARG  72   0.249  -6.097   7.761
  566   2HB   ARG  72          1HB       ARG  72   0.579  -6.558   9.423
  567   1HG   ARG  72          2HG       ARG  72   1.181  -8.542   8.649
  568   2HG   ARG  72          1HG       ARG  72  -0.522  -8.836   8.300
  569   1HD   ARG  72          2HD       ARG  72  -0.146  -7.733   6.086
  570   2HD   ARG  72          1HD       ARG  72   1.572  -7.743   6.441
  571    HE   ARG  72           HE       ARG  72  -0.088 -10.161   6.147
  572   1HH1  ARG  72          1HH1      ARG  72   2.976  -8.507   5.887
  573   2HH1  ARG  72          2HH1      ARG  72   3.805  -9.885   5.250
  574   1HH2  ARG  72          1HH2      ARG  72   0.997 -11.961   5.271
  575   2HH2  ARG  72          2HH2      ARG  72   2.682 -11.837   4.884
  576    H    LEU  73           H        LEU  73  -1.610  -7.576  11.258
  577    HA   LEU  73           HA       LEU  73  -2.237  -5.003  12.500
  578   1HB   LEU  73          2HB       LEU  73  -3.040  -7.677  12.969
  579   2HB   LEU  73          1HB       LEU  73  -2.160  -7.151  14.382
  580    HG   LEU  73           HG       LEU  73  -4.025  -5.108  13.563
  581   1HD1  LEU  73          1HD1      LEU  73  -5.825  -6.265  12.987
  582   2HD1  LEU  73          2HD1      LEU  73  -5.790  -7.074  14.553
  583   3HD1  LEU  73          3HD1      LEU  73  -4.944  -7.782  13.179
  584   1HD2  LEU  73          1HD2      LEU  73  -4.000  -6.831  16.036
  585   2HD2  LEU  73          2HD2      LEU  73  -4.685  -5.214  15.856
  586   3HD2  LEU  73          3HD2      LEU  73  -2.937  -5.444  15.798
  587    H    ARG  74           H        ARG  74  -0.991  -4.069  14.093
  588    HA   ARG  74           HA       ARG  74   1.439  -5.394  14.966
  589   1HB   ARG  74          2HB       ARG  74   1.583  -2.681  13.653
  590   2HB   ARG  74          1HB       ARG  74   2.927  -3.641  14.252
  591   1HG   ARG  74          2HG       ARG  74   1.547  -5.233  12.380
  592   2HG   ARG  74          1HG       ARG  74   1.733  -3.641  11.667
  593   1HD   ARG  74          2HD       ARG  74   4.165  -4.414  12.966
  594   2HD   ARG  74          1HD       ARG  74   3.643  -5.693  11.874
  595    HE   ARG  74           HE       ARG  74   4.215  -2.914  11.096
  596   1HH1  ARG  74          1HH1      ARG  74   3.723  -6.266  10.259
  597   2HH1  ARG  74          2HH1      ARG  74   4.286  -6.072   8.633
  598   1HH2  ARG  74          1HH2      ARG  74   4.922  -2.652   8.942
  599   2HH2  ARG  74          2HH2      ARG  74   4.932  -4.021   7.878
  600    H    GLY  75           H        GLY  75  -1.176  -4.100  15.950
  601   1HA   GLY  75          2HA       GLY  75  -0.231  -2.009  17.714
  602   2HA   GLY  75          1HA       GLY  75  -1.869  -2.635  17.614
  603    H    GLY  76           H        GLY  76   0.840  -4.801  18.033
  604   1HA   GLY  76          2HA       GLY  76   1.574  -5.168  20.449
  605   2HA   GLY  76          1HA       GLY  76  -0.149  -5.325  20.763
  606    H    HIS  77           H        HIS  77  -0.175  -7.436  21.446
  607    HA   HIS  77           HA       HIS  77   0.679  -9.434  19.454
  608   1HB   HIS  77          2HB       HIS  77   1.448  -9.164  22.189
  609   2HB   HIS  77          1HB       HIS  77   0.495 -10.631  22.035
  610    HD1  HIS  77           1HD      HIS  77   1.410 -11.780  19.425
  611    HD2  HIS  77           2HD      HIS  77   4.023  -9.980  22.108
  612    HE1  HIS  77           1HE      HIS  77   3.675 -12.730  18.893
  613    HE2  HIS  77           2HE      HIS  77   5.241 -11.634  20.535
  614    H    HIS  78           H        HIS  78  -0.437 -11.646  20.028
  615    HA   HIS  78           HA       HIS  78  -3.258 -11.210  20.704
  616   1HB   HIS  78          2HB       HIS  78  -2.169 -12.395  18.164
  617   2HB   HIS  78          1HB       HIS  78  -3.749 -12.876  18.769
  618    HD1  HIS  78           1HD      HIS  78  -3.218 -11.276  16.084
  619    HD2  HIS  78           2HD      HIS  78  -4.457  -9.642  19.698
  620    HE1  HIS  78           1HE      HIS  78  -4.377  -9.127  15.488
  621    HE2  HIS  78           2HE      HIS  78  -5.167  -8.182  17.685
  622    H    HIS  79           H        HIS  79  -3.864 -12.592  22.223
  623    HA   HIS  79           HA       HIS  79  -2.193 -14.848  22.883
  624   1HB   HIS  79          2HB       HIS  79  -4.401 -13.367  24.166
  625   2HB   HIS  79          1HB       HIS  79  -4.316 -15.081  24.555
  626    HD1  HIS  79           1HD      HIS  79  -1.999 -12.054  24.566
  627    HD2  HIS  79           2HD      HIS  79  -2.591 -15.657  26.553
  628    HE1  HIS  79           1HE      HIS  79  -0.333 -12.066  26.451
  629    HE2  HIS  79           2HE      HIS  79  -0.643 -14.297  27.578
  630    H    HIS  80           H        HIS  80  -2.449 -16.849  22.166
  631    HA   HIS  80           HA       HIS  80  -4.918 -17.554  20.763
  632   1HB   HIS  80          2HB       HIS  80  -2.115 -18.598  20.741
  633   2HB   HIS  80          1HB       HIS  80  -3.426 -19.671  20.259
  634    HD1  HIS  80           1HD      HIS  80  -1.570 -16.614  19.194
  635    HD2  HIS  80           2HD      HIS  80  -4.629 -19.061  17.807
  636    HE1  HIS  80           1HE      HIS  80  -1.911 -15.962  16.789
  637    HE2  HIS  80           2HE      HIS  80  -3.730 -17.496  15.953
  638    H    HIS  81           H        HIS  81  -6.281 -19.144  21.439
  639    HA   HIS  81           HA       HIS  81  -5.866 -20.126  24.161
  640   1HB   HIS  81          2HB       HIS  81  -8.232 -19.864  22.346
  641   2HB   HIS  81          1HB       HIS  81  -8.289 -21.037  23.660
  642    HD1  HIS  81           1HD      HIS  81  -6.321 -18.176  24.657
  643    HD2  HIS  81           2HD      HIS  81 -10.369 -19.118  24.563
  644    HE1  HIS  81           1HE      HIS  81  -7.434 -16.519  26.185
  645    HE2  HIS  81           2HE      HIS  81  -9.887 -17.083  26.086
  646    H    HIS  82           H        HIS  82  -4.405 -21.786  23.981
  647    HA   HIS  82           HA       HIS  82  -4.639 -23.844  22.004
  648   1HB   HIS  82          2HB       HIS  82  -2.723 -23.022  23.951
  649   2HB   HIS  82          1HB       HIS  82  -3.054 -24.732  24.201
  650    HD1  HIS  82           1HD      HIS  82  -3.312 -25.770  21.382
  651    HD2  HIS  82           2HD      HIS  82  -0.458 -22.969  22.510
  652    HE1  HIS  82           1HE      HIS  82  -1.465 -25.972  19.686
  653    HE2  HIS  82           2HE      HIS  82   0.264 -24.286  20.404
  Start of MODEL   15
    1   1H    MET   1          1HT       MET   1  -8.332   6.164 -17.874
    2   2H    MET   1          2HT       MET   1  -9.236   6.909 -16.620
    3   3H    MET   1          3HT       MET   1  -9.441   5.238 -16.953
    4    HA   MET   1           HA       MET   1  -7.052   4.964 -16.408
    5   1HB   MET   1          2HB       MET   1  -7.489   7.842 -15.972
    6   2HB   MET   1          1HB       MET   1  -6.634   7.036 -14.665
    7   1HG   MET   1          2HG       MET   1  -4.835   6.497 -15.989
    8   2HG   MET   1          1HG       MET   1  -5.763   6.609 -17.483
    9   1HE   MET   1          1HE       MET   1  -5.979   9.635 -14.770
   10   2HE   MET   1          2HE       MET   1  -4.315  10.176 -14.986
   11   3HE   MET   1          3HE       MET   1  -4.642   8.543 -14.408
   12    H    GLN   2           H        GLN   2  -7.929   3.292 -15.240
   13    HA   GLN   2           HA       GLN   2  -8.683   3.941 -12.501
   14   1HB   GLN   2          2HB       GLN   2 -10.432   2.504 -14.464
   15   2HB   GLN   2          1HB       GLN   2 -10.522   2.112 -12.752
   16   1HG   GLN   2          2HG       GLN   2 -11.828   3.854 -12.392
   17   2HG   GLN   2          1HG       GLN   2 -10.597   4.940 -13.038
   18   1HE2  GLN   2          1HE2      GLN   2 -10.485   4.430 -15.623
   19   2HE2  GLN   2          2HE2      GLN   2 -12.007   4.686 -16.398
   20    H    ILE   3           H        ILE   3  -6.947   3.014 -11.610
   21    HA   ILE   3           HA       ILE   3  -5.830   0.532 -12.449
   22    HB   ILE   3           HB       ILE   3  -4.593   0.669 -10.224
   23   1HG1  ILE   3          2HG1      ILE   3  -4.937   3.428  -9.741
   24   2HG1  ILE   3          1HG1      ILE   3  -6.558   2.747  -9.831
   25   1HG2  ILE   3          1HG2      ILE   3  -4.222   1.958 -12.648
   26   2HG2  ILE   3          2HG2      ILE   3  -3.016   1.721 -11.384
   27   3HG2  ILE   3          3HG2      ILE   3  -3.949   3.215 -11.441
   28   1HD1  ILE   3          1HD1      ILE   3  -5.429   2.845  -7.554
   29   2HD1  ILE   3          2HD1      ILE   3  -4.437   1.508  -8.128
   30   3HD1  ILE   3          3HD1      ILE   3  -6.185   1.324  -8.029
   31    H    PHE   4           H        PHE   4  -5.467  -1.261 -10.755
   32    HA   PHE   4           HA       PHE   4  -8.075  -1.897  -9.534
   33   1HB   PHE   4          2HB       PHE   4  -6.007  -3.673 -10.830
   34   2HB   PHE   4          1HB       PHE   4  -7.282  -4.314  -9.800
   35    HD1  PHE   4           1HD      PHE   4  -7.228  -1.724 -12.497
   36    HD2  PHE   4           2HD      PHE   4  -8.856  -5.385 -11.066
   37    HE1  PHE   4           1HE      PHE   4  -8.743  -1.801 -14.430
   38    HE2  PHE   4           2HE      PHE   4 -10.375  -5.470 -12.999
   39    HZ   PHE   4           HZ       PHE   4 -10.318  -3.676 -14.686
   40    H    VAL   5           H        VAL   5  -8.144  -2.717  -7.472
   41    HA   VAL   5           HA       VAL   5  -5.616  -3.093  -6.055
   42    HB   VAL   5           HB       VAL   5  -6.454  -1.792  -4.122
   43   1HG1  VAL   5          1HG1      VAL   5  -5.679   0.250  -4.904
   44   2HG1  VAL   5          2HG1      VAL   5  -6.405   0.029  -6.496
   45   3HG1  VAL   5          3HG1      VAL   5  -4.974  -0.897  -6.042
   46   1HG2  VAL   5          1HG2      VAL   5  -8.616  -0.968  -6.055
   47   2HG2  VAL   5          2HG2      VAL   5  -8.292  -0.175  -4.514
   48   3HG2  VAL   5          3HG2      VAL   5  -8.825  -1.855  -4.545
   49    H    LYS   6           H        LYS   6  -5.650  -4.887  -4.904
   50    HA   LYS   6           HA       LYS   6  -8.179  -6.244  -4.470
   51   1HB   LYS   6          2HB       LYS   6  -5.377  -7.053  -4.712
   52   2HB   LYS   6          1HB       LYS   6  -6.230  -7.896  -3.427
   53   1HG   LYS   6          2HG       LYS   6  -7.304  -7.710  -6.223
   54   2HG   LYS   6          1HG       LYS   6  -6.219  -9.000  -5.698
   55   1HD   LYS   6          2HD       LYS   6  -8.362  -8.671  -3.807
   56   2HD   LYS   6          1HD       LYS   6  -9.015  -8.889  -5.430
   57   1HE   LYS   6          2HE       LYS   6  -6.889 -10.740  -5.090
   58   2HE   LYS   6          1HE       LYS   6  -7.926 -10.840  -3.667
   59   1HZ   LYS   6          1HZ       LYS   6  -9.836 -11.032  -5.253
   60   2HZ   LYS   6          2HZ       LYS   6  -8.774 -12.347  -5.254
   61   3HZ   LYS   6          3HZ       LYS   6  -8.708 -11.208  -6.501
   62    H    THR   7           H        THR   7  -9.202  -6.373  -2.637
   63    HA   THR   7           HA       THR   7  -8.058  -5.106  -0.285
   64    HB   THR   7           HB       THR   7 -10.316  -5.197   0.641
   65    HG1  THR   7           1HG      THR   7 -11.175  -6.407  -1.759
   66   1HG2  THR   7          1HG2      THR   7 -10.761  -3.346  -0.469
   67   2HG2  THR   7          2HG2      THR   7 -11.353  -4.315  -1.819
   68   3HG2  THR   7          3HG2      THR   7  -9.659  -3.830  -1.758
   69    H    LEU   8           H        LEU   8  -9.127  -6.299   1.842
   70    HA   LEU   8           HA       LEU   8  -7.579  -8.706   2.046
   71   1HB   LEU   8          2HB       LEU   8  -7.695  -7.174   3.916
   72   2HB   LEU   8          1HB       LEU   8  -9.440  -7.340   3.991
   73    HG   LEU   8           HG       LEU   8  -9.218  -9.668   4.683
   74   1HD1  LEU   8          1HD1      LEU   8  -6.394  -9.188   3.973
   75   2HD1  LEU   8          2HD1      LEU   8  -7.365 -10.657   3.859
   76   3HD1  LEU   8          3HD1      LEU   8  -6.689 -10.165   5.411
   77   1HD2  LEU   8          1HD2      LEU   8  -9.088  -7.692   6.302
   78   2HD2  LEU   8          2HD2      LEU   8  -7.368  -8.061   6.415
   79   3HD2  LEU   8          3HD2      LEU   8  -8.562  -9.269   6.891
   80    H    THR   9           H        THR   9 -10.851  -7.965   1.325
   81    HA   THR   9           HA       THR   9 -11.841 -10.590   2.052
   82    HB   THR   9           HB       THR   9 -13.985  -9.766   1.104
   83    HG1  THR   9           1HG      THR   9 -13.740  -7.288   0.760
   84   1HG2  THR   9          1HG2      THR   9 -12.565  -8.513   3.310
   85   2HG2  THR   9          2HG2      THR   9 -14.219  -9.119   3.218
   86   3HG2  THR   9          3HG2      THR   9 -13.837  -7.501   2.629
   87    H    GLY  10           H        GLY  10 -10.176  -9.310  -0.578
   88   1HA   GLY  10          2HA       GLY  10  -9.495 -10.663  -2.407
   89   2HA   GLY  10          1HA       GLY  10 -10.966 -11.607  -2.217
   90    H    ALA  11           H        ALA  11 -12.138  -8.717  -1.858
   91    HA   ALA  11           HA       ALA  11 -13.101  -8.534  -4.568
   92   1HB   ALA  11          1HB       ALA  11 -13.848  -6.360  -2.771
   93   2HB   ALA  11          2HB       ALA  11 -14.197  -7.967  -2.134
   94   3HB   ALA  11          3HB       ALA  11 -14.858  -7.474  -3.694
   95    H    THR  12           H        THR  12 -11.991  -7.511  -6.111
   96    HA   THR  12           HA       THR  12 -10.134  -5.393  -5.447
   97    HB   THR  12           HB       THR  12 -10.827  -6.369  -8.215
   98    HG1  THR  12           1HG      THR  12 -10.221  -8.125  -6.799
   99   1HG2  THR  12          1HG2      THR  12  -8.053  -5.808  -7.681
  100   2HG2  THR  12          2HG2      THR  12  -9.074  -4.411  -7.346
  101   3HG2  THR  12          3HG2      THR  12  -9.116  -5.170  -8.936
  102    H    ILE  13           H        ILE  13 -10.440  -3.237  -5.897
  103    HA   ILE  13           HA       ILE  13 -13.024  -2.530  -7.130
  104    HB   ILE  13           HB       ILE  13 -13.089  -0.530  -5.672
  105   1HG1  ILE  13          2HG1      ILE  13 -10.896  -1.895  -4.103
  106   2HG1  ILE  13          1HG1      ILE  13 -10.613  -0.549  -5.202
  107   1HG2  ILE  13          1HG2      ILE  13 -13.100  -3.265  -4.428
  108   2HG2  ILE  13          2HG2      ILE  13 -14.466  -2.323  -5.020
  109   3HG2  ILE  13          3HG2      ILE  13 -13.622  -1.825  -3.554
  110   1HD1  ILE  13          1HD1      ILE  13 -11.387  -0.482  -2.483
  111   2HD1  ILE  13          2HD1      ILE  13 -12.703   0.193  -3.443
  112   3HD1  ILE  13          3HD1      ILE  13 -11.077   0.867  -3.576
  113    H    THR  14           H        THR  14 -13.132  -0.392  -8.050
  114    HA   THR  14           HA       THR  14 -10.645   0.288  -9.443
  115    HB   THR  14           HB       THR  14 -12.228   1.663 -10.905
  116    HG1  THR  14           1HG      THR  14 -14.266   0.024  -9.881
  117   1HG2  THR  14          1HG2      THR  14 -13.369  -0.616 -11.751
  118   2HG2  THR  14          2HG2      THR  14 -12.039  -1.266 -10.793
  119   3HG2  THR  14          3HG2      THR  14 -11.707  -0.150 -12.118
  120    H    LEU  15           H        LEU  15  -9.524   2.066  -8.918
  121    HA   LEU  15           HA       LEU  15 -10.956   4.299  -7.671
  122   1HB   LEU  15          2HB       LEU  15  -9.436   2.535  -6.212
  123   2HB   LEU  15          1HB       LEU  15  -8.295   3.821  -6.550
  124    HG   LEU  15           HG       LEU  15 -10.742   5.007  -5.681
  125   1HD1  LEU  15          1HD1      LEU  15 -11.100   4.066  -3.551
  126   2HD1  LEU  15          2HD1      LEU  15  -9.663   3.051  -3.671
  127   3HD1  LEU  15          3HD1      LEU  15 -11.069   2.710  -4.678
  128   1HD2  LEU  15          1HD2      LEU  15  -7.889   4.979  -4.987
  129   2HD2  LEU  15          2HD2      LEU  15  -8.974   5.382  -3.657
  130   3HD2  LEU  15          3HD2      LEU  15  -9.009   6.331  -5.142
  131    H    GLU  16           H        GLU  16  -9.723   6.294  -7.637
  132    HA   GLU  16           HA       GLU  16  -7.834   6.476  -9.891
  133   1HB   GLU  16          2HB       GLU  16 -10.177   8.121  -9.133
  134   2HB   GLU  16          1HB       GLU  16  -8.766   9.003  -9.701
  135   1HG   GLU  16          2HG       GLU  16  -8.787   7.436 -11.702
  136   2HG   GLU  16          1HG       GLU  16 -10.394   6.953 -11.163
  137    H    VAL  17           H        VAL  17  -5.890   7.467  -9.536
  138    HA   VAL  17           HA       VAL  17  -5.295   8.171  -6.791
  139    HB   VAL  17           HB       VAL  17  -2.937   8.352  -7.619
  140   1HG1  VAL  17          1HG1      VAL  17  -3.729   6.307  -6.598
  141   2HG1  VAL  17          2HG1      VAL  17  -2.644   5.928  -7.938
  142   3HG1  VAL  17          3HG1      VAL  17  -4.388   5.763  -8.141
  143   1HG2  VAL  17          1HG2      VAL  17  -3.170   6.901 -10.028
  144   2HG2  VAL  17          2HG2      VAL  17  -2.552   8.535  -9.797
  145   3HG2  VAL  17          3HG2      VAL  17  -4.260   8.282 -10.150
  146    H    GLU  18           H        GLU  18  -3.756  10.028  -6.439
  147    HA   GLU  18           HA       GLU  18  -4.187  12.323  -8.173
  148   1HB   GLU  18          2HB       GLU  18  -5.486  11.944  -5.565
  149   2HB   GLU  18          1HB       GLU  18  -4.661  13.486  -5.747
  150   1HG   GLU  18          2HG       GLU  18  -6.366  14.276  -6.901
  151   2HG   GLU  18          1HG       GLU  18  -6.144  13.017  -8.115
  152    H    SER  19           H        SER  19  -2.686  13.999  -7.876
  153    HA   SER  19           HA       SER  19  -0.132  13.177  -6.945
  154   1HB   SER  19          2HB       SER  19  -0.888  15.063  -8.686
  155   2HB   SER  19          1HB       SER  19  -0.741  16.086  -7.257
  156    HG   SER  19           HG       SER  19   1.339  14.304  -7.843
  157    H    SER  20           H        SER  20  -2.712  15.171  -5.675
  158    HA   SER  20           HA       SER  20  -1.272  15.891  -3.276
  159   1HB   SER  20          2HB       SER  20  -4.165  16.289  -4.072
  160   2HB   SER  20          1HB       SER  20  -3.429  16.945  -2.611
  161    HG   SER  20           HG       SER  20  -3.533  18.235  -4.728
  162    H    ASP  21           H        ASP  21  -2.357  13.006  -4.129
  163    HA   ASP  21           HA       ASP  21  -3.845  12.327  -1.732
  164   1HB   ASP  21          2HB       ASP  21  -3.622  11.248  -4.349
  165   2HB   ASP  21          1HB       ASP  21  -3.071  10.009  -3.227
  166    H    THR  22           H        THR  22  -2.765  12.000   0.097
  167    HA   THR  22           HA       THR  22  -0.077  10.809  -0.025
  168    HB   THR  22           HB       THR  22  -1.209  12.122   2.426
  169    HG1  THR  22           1HG      THR  22  -1.097  14.020   1.571
  170   1HG2  THR  22          1HG2      THR  22   1.295  11.050   1.757
  171   2HG2  THR  22          2HG2      THR  22   0.842  11.934   3.214
  172   3HG2  THR  22          3HG2      THR  22   1.493  12.800   1.821
  173    H    ILE  23           H        ILE  23   0.470   9.241   1.685
  174    HA   ILE  23           HA       ILE  23  -1.389   7.160   1.855
  175    HB   ILE  23           HB       ILE  23   0.830   7.553   3.849
  176   1HG1  ILE  23          2HG1      ILE  23   1.707   7.917   1.561
  177   2HG1  ILE  23          1HG1      ILE  23   2.339   6.447   2.290
  178   1HG2  ILE  23          1HG2      ILE  23   0.598   5.375   4.364
  179   2HG2  ILE  23          2HG2      ILE  23   0.188   4.917   2.711
  180   3HG2  ILE  23          3HG2      ILE  23  -1.037   5.633   3.758
  181   1HD1  ILE  23          1HD1      ILE  23   0.923   6.781  -0.162
  182   2HD1  ILE  23          2HD1      ILE  23   0.017   5.705   0.903
  183   3HD1  ILE  23          3HD1      ILE  23   1.692   5.336   0.498
  184    H    ASP  24           H        ASP  24  -1.039  10.010   3.780
  185    HA   ASP  24           HA       ASP  24  -2.517   8.957   6.041
  186   1HB   ASP  24          2HB       ASP  24  -0.790  11.132   5.645
  187   2HB   ASP  24          1HB       ASP  24  -2.370  11.854   5.939
  188    H    ASN  25           H        ASN  25  -3.045  11.357   3.492
  189    HA   ASN  25           HA       ASN  25  -5.673  12.048   4.105
  190   1HB   ASN  25          2HB       ASN  25  -4.123  12.033   1.530
  191   2HB   ASN  25          1HB       ASN  25  -5.811  12.529   1.566
  192   1HD2  ASN  25          1HD2      ASN  25  -5.258  14.628   0.942
  193   2HD2  ASN  25          2HD2      ASN  25  -4.526  15.741   2.042
  194    H    VAL  26           H        VAL  26  -4.475   9.499   1.933
  195    HA   VAL  26           HA       VAL  26  -6.925   8.566   0.996
  196    HB   VAL  26           HB       VAL  26  -5.766   6.377   0.642
  197   1HG1  VAL  26          1HG1      VAL  26  -4.362   8.883  -0.266
  198   2HG1  VAL  26          2HG1      VAL  26  -5.687   8.050  -1.077
  199   3HG1  VAL  26          3HG1      VAL  26  -4.104   7.283  -0.963
  200   1HG2  VAL  26          1HG2      VAL  26  -4.241   6.110   2.366
  201   2HG2  VAL  26          2HG2      VAL  26  -3.653   7.767   2.240
  202   3HG2  VAL  26          3HG2      VAL  26  -3.203   6.577   1.019
  203    H    LYS  27           H        LYS  27  -5.061   7.493   3.815
  204    HA   LYS  27           HA       LYS  27  -6.835   5.473   4.642
  205   1HB   LYS  27          2HB       LYS  27  -4.831   7.095   6.217
  206   2HB   LYS  27          1HB       LYS  27  -5.690   5.703   6.863
  207   1HG   LYS  27          2HG       LYS  27  -4.714   4.338   5.020
  208   2HG   LYS  27          1HG       LYS  27  -3.730   5.732   4.584
  209   1HD   LYS  27          2HD       LYS  27  -3.723   4.631   7.374
  210   2HD   LYS  27          1HD       LYS  27  -2.705   3.934   6.115
  211   1HE   LYS  27          2HE       LYS  27  -1.339   5.748   6.020
  212   2HE   LYS  27          1HE       LYS  27  -2.627   6.875   6.443
  213   1HZ   LYS  27          1HZ       LYS  27  -2.016   6.808   8.560
  214   2HZ   LYS  27          2HZ       LYS  27  -0.657   5.908   8.108
  215   3HZ   LYS  27          3HZ       LYS  27  -2.068   5.116   8.601
  216    H    SER  28           H        SER  28  -6.548   8.858   5.671
  217    HA   SER  28           HA       SER  28  -8.485   8.864   7.664
  218   1HB   SER  28          2HB       SER  28  -6.830  10.720   6.927
  219   2HB   SER  28          1HB       SER  28  -8.116  11.218   5.827
  220    HG   SER  28           HG       SER  28  -8.316  12.324   7.775
  221    H    LYS  29           H        LYS  29  -8.857   8.785   4.223
  222    HA   LYS  29           HA       LYS  29 -11.463   9.821   4.012
  223   1HB   LYS  29          2HB       LYS  29  -9.578   8.506   2.280
  224   2HB   LYS  29          1HB       LYS  29 -11.190   7.859   2.006
  225   1HG   LYS  29          2HG       LYS  29 -10.955  10.799   2.172
  226   2HG   LYS  29          1HG       LYS  29 -10.247  10.019   0.757
  227   1HD   LYS  29          2HD       LYS  29 -12.321  10.155  -0.095
  228   2HD   LYS  29          1HD       LYS  29 -12.656   8.756   0.926
  229   1HE   LYS  29          2HE       LYS  29 -12.887  11.230   2.405
  230   2HE   LYS  29          1HE       LYS  29 -13.935  11.230   0.987
  231   1HZ   LYS  29          1HZ       LYS  29 -14.392   9.989   3.416
  232   2HZ   LYS  29          2HZ       LYS  29 -14.089   8.738   2.320
  233   3HZ   LYS  29          3HZ       LYS  29 -15.321   9.853   2.008
  234    H    ILE  30           H        ILE  30 -10.534   7.068   5.640
  235    HA   ILE  30           HA       ILE  30 -12.980   5.588   5.068
  236    HB   ILE  30           HB       ILE  30 -10.861   4.926   7.123
  237   1HG1  ILE  30          2HG1      ILE  30 -10.918   3.506   4.518
  238   2HG1  ILE  30          1HG1      ILE  30 -10.291   5.150   4.496
  239   1HG2  ILE  30          1HG2      ILE  30 -13.106   3.393   5.844
  240   2HG2  ILE  30          2HG2      ILE  30 -12.784   3.648   7.559
  241   3HG2  ILE  30          3HG2      ILE  30 -11.744   2.583   6.615
  242   1HD1  ILE  30          1HD1      ILE  30  -8.870   4.297   6.518
  243   2HD1  ILE  30          2HD1      ILE  30  -8.377   3.972   4.856
  244   3HD1  ILE  30          3HD1      ILE  30  -9.193   2.720   5.798
  245    H    GLN  31           H        GLN  31 -12.858   8.307   6.376
  246    HA   GLN  31           HA       GLN  31 -13.706   7.800   9.105
  247   1HB   GLN  31          2HB       GLN  31 -13.197  10.235   7.450
  248   2HB   GLN  31          1HB       GLN  31 -14.192  10.386   8.892
  249   1HG   GLN  31          2HG       GLN  31 -11.643   8.947   9.225
  250   2HG   GLN  31          1HG       GLN  31 -11.529  10.673   8.880
  251   1HE2  GLN  31          1HE2      GLN  31 -12.766   8.272  11.104
  252   2HE2  GLN  31          2HE2      GLN  31 -12.966   9.341  12.446
  253    H    ALA  32           H        ALA  32 -15.258   7.726   6.117
  254    HA   ALA  32           HA       ALA  32 -17.758   8.849   6.997
  255   1HB   ALA  32          1HB       ALA  32 -18.276   8.899   4.829
  256   2HB   ALA  32          2HB       ALA  32 -17.867   7.199   4.601
  257   3HB   ALA  32          3HB       ALA  32 -16.601   8.426   4.539
  258    H    ALA  33           H        ALA  33 -16.774   5.564   5.949
  259    HA   ALA  33           HA       ALA  33 -19.101   4.481   7.375
  260   1HB   ALA  33          1HB       ALA  33 -17.443   2.628   5.821
  261   2HB   ALA  33          2HB       ALA  33 -18.168   3.933   4.884
  262   3HB   ALA  33          3HB       ALA  33 -19.191   2.856   5.834
  263    HA   PRO  34           HA       PRO  34 -16.147   3.223  10.530
  264   1HB   PRO  34          2HB       PRO  34 -17.936   2.395  12.352
  265   2HB   PRO  34          1HB       PRO  34 -17.667   4.112  12.025
  266   1HG   PRO  34          2HG       PRO  34 -19.854   2.316  11.050
  267   2HG   PRO  34          1HG       PRO  34 -19.957   3.984  11.644
  268   1HD   PRO  34          2HD       PRO  34 -19.934   3.308   8.989
  269   2HD   PRO  34          1HD       PRO  34 -19.365   4.868   9.615
  270    H    GLY  35           H        GLY  35 -15.474   1.254  11.492
  271   1HA   GLY  35          2HA       GLY  35 -16.230  -1.181  11.782
  272   2HA   GLY  35          1HA       GLY  35 -16.434  -1.126  10.036
  273    H    ILE  36           H        ILE  36 -14.260   0.229   9.186
  274    HA   ILE  36           HA       ILE  36 -12.062  -1.543  10.014
  275    HB   ILE  36           HB       ILE  36 -12.209  -0.058   7.399
  276   1HG1  ILE  36          2HG1      ILE  36 -14.166  -1.488   7.486
  277   2HG1  ILE  36          1HG1      ILE  36 -12.980  -2.198   6.395
  278   1HG2  ILE  36          1HG2      ILE  36 -10.391  -2.009   8.643
  279   2HG2  ILE  36          2HG2      ILE  36 -10.069  -0.755   7.446
  280   3HG2  ILE  36          3HG2      ILE  36 -10.771  -2.294   6.945
  281   1HD1  ILE  36          1HD1      ILE  36 -12.586  -3.210   9.042
  282   2HD1  ILE  36          2HD1      ILE  36 -12.981  -4.076   7.558
  283   3HD1  ILE  36          3HD1      ILE  36 -14.271  -3.412   8.559
  284    HA   PRO  37           HA       PRO  37 -10.184   2.205  11.584
  285   1HB   PRO  37          2HB       PRO  37  -7.746   1.070  12.147
  286   2HB   PRO  37          1HB       PRO  37  -9.151   0.985  13.213
  287   1HG   PRO  37          2HG       PRO  37  -8.080  -1.060  11.331
  288   2HG   PRO  37          1HG       PRO  37  -8.806  -1.279  12.927
  289   1HD   PRO  37          2HD       PRO  37 -10.121  -1.764  10.600
  290   2HD   PRO  37          1HD       PRO  37 -10.937  -1.243  12.087
  291    HA   PRO  38           HA       PRO  38  -8.005   3.523   7.945
  292   1HB   PRO  38          2HB       PRO  38  -7.074   5.895   8.806
  293   2HB   PRO  38          1HB       PRO  38  -8.792   5.613   8.490
  294   1HG   PRO  38          2HG       PRO  38  -7.320   5.601  11.099
  295   2HG   PRO  38          1HG       PRO  38  -8.887   6.328  10.702
  296   1HD   PRO  38          2HD       PRO  38  -8.636   3.931  11.968
  297   2HD   PRO  38          1HD       PRO  38 -10.007   4.333  10.914
  298    H    ASP  39           H        ASP  39  -6.243   3.576  11.032
  299    HA   ASP  39           HA       ASP  39  -3.687   3.804   9.759
  300   1HB   ASP  39          2HB       ASP  39  -4.727   3.811  12.470
  301   2HB   ASP  39          1HB       ASP  39  -3.260   2.845  12.341
  302    H    GLN  40           H        GLN  40  -5.859   1.304  10.082
  303    HA   GLN  40           HA       GLN  40  -3.862  -0.796  10.323
  304   1HB   GLN  40          2HB       GLN  40  -6.525  -0.572  11.070
  305   2HB   GLN  40          1HB       GLN  40  -6.565  -1.669   9.698
  306   1HG   GLN  40          2HG       GLN  40  -4.500  -2.689  11.117
  307   2HG   GLN  40          1HG       GLN  40  -5.521  -2.059  12.410
  308   1HE2  GLN  40          1HE2      GLN  40  -5.009  -4.592  10.247
  309   2HE2  GLN  40          2HE2      GLN  40  -6.482  -5.453  10.516
  310    H    GLN  41           H        GLN  41  -4.694   1.146   7.899
  311    HA   GLN  41           HA       GLN  41  -4.564  -1.015   5.896
  312   1HB   GLN  41          2HB       GLN  41  -6.674   0.206   5.751
  313   2HB   GLN  41          1HB       GLN  41  -5.807   1.732   5.650
  314   1HG   GLN  41          2HG       GLN  41  -4.805   0.096   3.595
  315   2HG   GLN  41          1HG       GLN  41  -6.560  -0.059   3.559
  316   1HE2  GLN  41          1HE2      GLN  41  -7.314   1.221   2.034
  317   2HE2  GLN  41          2HE2      GLN  41  -6.839   2.858   1.753
  318    H    GLU  42           H        GLU  42  -2.854  -1.045   4.599
  319    HA   GLU  42           HA       GLU  42  -1.350   1.374   4.016
  320   1HB   GLU  42          2HB       GLU  42   0.033  -0.997   5.280
  321   2HB   GLU  42          1HB       GLU  42   0.789   0.500   4.763
  322   1HG   GLU  42          2HG       GLU  42   0.107   1.644   6.595
  323   2HG   GLU  42          1HG       GLU  42  -1.367   0.702   6.781
  324    H    LEU  43           H        LEU  43   0.183   1.095   2.242
  325    HA   LEU  43           HA       LEU  43  -0.564  -1.135   0.500
  326   1HB   LEU  43          2HB       LEU  43  -0.631   1.163  -0.428
  327   2HB   LEU  43          1HB       LEU  43   1.078   1.340  -0.085
  328    HG   LEU  43           HG       LEU  43   0.744  -1.005  -1.665
  329   1HD1  LEU  43          1HD1      LEU  43  -1.128   1.111  -2.321
  330   2HD1  LEU  43          2HD1      LEU  43  -1.013  -0.534  -2.945
  331   3HD1  LEU  43          3HD1      LEU  43  -0.030   0.749  -3.652
  332   1HD2  LEU  43          1HD2      LEU  43   1.944   1.705  -2.211
  333   2HD2  LEU  43          2HD2      LEU  43   2.146   0.293  -3.249
  334   3HD2  LEU  43          3HD2      LEU  43   2.771   0.272  -1.600
  335    H    ILE  44           H        ILE  44   0.903  -2.673  -0.160
  336    HA   ILE  44           HA       ILE  44   3.681  -2.389   0.684
  337    HB   ILE  44           HB       ILE  44   2.158  -4.851   1.518
  338   1HG1  ILE  44          2HG1      ILE  44   2.990  -3.576   3.839
  339   2HG1  ILE  44          1HG1      ILE  44   2.374  -2.259   2.854
  340   1HG2  ILE  44          1HG2      ILE  44   4.770  -4.665   1.068
  341   2HG2  ILE  44          2HG2      ILE  44   4.105  -5.652   2.369
  342   3HG2  ILE  44          3HG2      ILE  44   4.745  -4.047   2.720
  343   1HD1  ILE  44          1HD1      ILE  44   0.282  -2.842   3.288
  344   2HD1  ILE  44          2HD1      ILE  44   0.914  -4.027   4.432
  345   3HD1  ILE  44          3HD1      ILE  44   0.585  -4.495   2.766
  346    H    PHE  45           H        PHE  45   5.106  -3.362  -0.665
  347    HA   PHE  45           HA       PHE  45   4.029  -4.734  -2.984
  348   1HB   PHE  45          2HB       PHE  45   6.581  -3.439  -2.268
  349   2HB   PHE  45          1HB       PHE  45   6.711  -4.821  -3.349
  350    HD1  PHE  45           1HD      PHE  45   6.447  -1.389  -3.257
  351    HD2  PHE  45           2HD      PHE  45   4.834  -4.758  -5.290
  352    HE1  PHE  45           1HE      PHE  45   5.834   0.055  -5.153
  353    HE2  PHE  45           2HE      PHE  45   4.219  -3.323  -7.191
  354    HZ   PHE  45           HZ       PHE  45   4.720  -0.913  -7.123
  355    H    ALA  46           H        ALA  46   4.085  -5.970  -0.219
  356    HA   ALA  46           HA       ALA  46   4.315  -8.077   0.630
  357   1HB   ALA  46          1HB       ALA  46   3.956  -9.659  -0.892
  358   2HB   ALA  46          2HB       ALA  46   5.587  -9.466  -1.535
  359   3HB   ALA  46          3HB       ALA  46   4.269  -8.472  -2.157
  360    H    GLY  47           H        GLY  47   7.009  -6.884  -1.304
  361   1HA   GLY  47          2HA       GLY  47   8.867  -7.811   0.789
  362   2HA   GLY  47          1HA       GLY  47   9.271  -7.882  -0.926
  363    H    LYS  48           H        LYS  48   7.557  -5.170  -0.899
  364    HA   LYS  48           HA       LYS  48   9.782  -3.476   0.045
  365   1HB   LYS  48          2HB       LYS  48   9.170  -3.785  -2.593
  366   2HB   LYS  48          1HB       LYS  48   8.132  -2.430  -2.175
  367   1HG   LYS  48          2HG       LYS  48  10.531  -1.730  -1.038
  368   2HG   LYS  48          1HG       LYS  48  11.014  -2.531  -2.535
  369   1HD   LYS  48          2HD       LYS  48   8.767  -0.704  -2.891
  370   2HD   LYS  48          1HD       LYS  48  10.219   0.098  -2.289
  371   1HE   LYS  48          2HE       LYS  48  11.485  -0.550  -4.152
  372   2HE   LYS  48          1HE       LYS  48  10.324  -1.791  -4.622
  373   1HZ   LYS  48          1HZ       LYS  48   8.918   0.572  -4.666
  374   2HZ   LYS  48          2HZ       LYS  48   9.482  -0.295  -6.006
  375   3HZ   LYS  48          3HZ       LYS  48  10.417   0.955  -5.355
  376    H    GLN  49           H        GLN  49   9.037  -2.463   1.800
  377    HA   GLN  49           HA       GLN  49   6.218  -1.950   2.143
  378   1HB   GLN  49          2HB       GLN  49   8.642  -1.534   3.878
  379   2HB   GLN  49          1HB       GLN  49   7.057  -0.938   4.344
  380   1HG   GLN  49          2HG       GLN  49   7.222  -2.975   5.427
  381   2HG   GLN  49          1HG       GLN  49   6.251  -3.337   4.002
  382   1HE2  GLN  49          1HE2      GLN  49   9.755  -2.949   4.407
  383   2HE2  GLN  49          2HE2      GLN  49  10.169  -4.521   3.823
  384    H    LEU  50           H        LEU  50   5.178  -0.080   1.799
  385    HA   LEU  50           HA       LEU  50   6.626   2.146   0.692
  386   1HB   LEU  50          2HB       LEU  50   3.861   1.241   0.818
  387   2HB   LEU  50          1HB       LEU  50   4.004   2.969   1.083
  388    HG   LEU  50           HG       LEU  50   3.606   2.254  -1.300
  389   1HD1  LEU  50          1HD1      LEU  50   5.623   3.720  -2.123
  390   2HD1  LEU  50          2HD1      LEU  50   5.826   4.013  -0.396
  391   3HD1  LEU  50          3HD1      LEU  50   4.306   4.427  -1.187
  392   1HD2  LEU  50          1HD2      LEU  50   4.865   0.600  -2.088
  393   2HD2  LEU  50          2HD2      LEU  50   5.983   0.710  -0.731
  394   3HD2  LEU  50          3HD2      LEU  50   6.203   1.745  -2.140
  395    H    GLU  51           H        GLU  51   6.340   4.330   1.430
  396    HA   GLU  51           HA       GLU  51   6.487   4.506   4.357
  397   1HB   GLU  51          2HB       GLU  51   7.222   6.573   2.292
  398   2HB   GLU  51          1HB       GLU  51   7.607   6.624   4.003
  399   1HG   GLU  51          2HG       GLU  51   8.948   4.526   3.639
  400   2HG   GLU  51          1HG       GLU  51   8.716   4.780   1.909
  401    H    ASP  52           H        ASP  52   4.721   5.141   5.408
  402    HA   ASP  52           HA       ASP  52   2.401   6.112   4.188
  403   1HB   ASP  52          2HB       ASP  52   3.207   6.397   7.089
  404   2HB   ASP  52          1HB       ASP  52   1.571   6.500   6.444
  405    H    GLY  53           H        GLY  53   5.150   7.825   5.550
  406   1HA   GLY  53          2HA       GLY  53   3.809  10.385   5.530
  407   2HA   GLY  53          1HA       GLY  53   5.514  10.106   5.848
  408    H    ARG  54           H        ARG  54   4.812   8.521   3.018
  409    HA   ARG  54           HA       ARG  54   5.990  10.696   1.487
  410   1HB   ARG  54          2HB       ARG  54   5.618   7.760   0.944
  411   2HB   ARG  54          1HB       ARG  54   6.179   8.881  -0.295
  412   1HG   ARG  54          2HG       ARG  54   7.510   8.494   2.376
  413   2HG   ARG  54          1HG       ARG  54   8.010   7.693   0.885
  414   1HD   ARG  54          2HD       ARG  54   9.390   9.477   0.732
  415   2HD   ARG  54          1HD       ARG  54   7.956  10.245   0.048
  416    HE   ARG  54           HE       ARG  54   8.118  10.464   2.903
  417   1HH1  ARG  54          1HH1      ARG  54   9.100  11.894  -0.121
  418   2HH1  ARG  54          2HH1      ARG  54   9.333  13.469   0.559
  419   1HH2  ARG  54          1HH2      ARG  54   8.409  12.522   3.797
  420   2HH2  ARG  54          2HH2      ARG  54   8.939  13.828   2.791
  421    H    THR  55           H        THR  55   5.230  11.136  -0.732
  422    HA   THR  55           HA       THR  55   2.296  11.123  -0.783
  423    HB   THR  55           HB       THR  55   2.967  12.996  -2.624
  424    HG1  THR  55           1HG      THR  55   4.774  13.749  -0.696
  425   1HG2  THR  55          1HG2      THR  55   1.422  13.561  -0.953
  426   2HG2  THR  55          2HG2      THR  55   2.760  14.695  -0.771
  427   3HG2  THR  55          3HG2      THR  55   2.606  13.328   0.333
  428    H    LEU  56           H        LEU  56   1.442  11.463  -3.147
  429    HA   LEU  56           HA       LEU  56   1.866   9.079  -4.543
  430   1HB   LEU  56          2HB       LEU  56   0.003  11.043  -4.627
  431   2HB   LEU  56          1HB       LEU  56   0.885  11.385  -6.103
  432    HG   LEU  56           HG       LEU  56   0.494   8.667  -6.274
  433   1HD1  LEU  56          1HD1      LEU  56  -1.050   8.189  -4.705
  434   2HD1  LEU  56          2HD1      LEU  56  -2.162   8.824  -5.918
  435   3HD1  LEU  56          3HD1      LEU  56  -1.616   9.857  -4.597
  436   1HD2  LEU  56          1HD2      LEU  56  -0.126   9.448  -8.256
  437   2HD2  LEU  56          2HD2      LEU  56  -0.379  11.060  -7.589
  438   3HD2  LEU  56          3HD2      LEU  56  -1.689   9.881  -7.562
  439    H    SER  57           H        SER  57   2.863  12.380  -5.429
  440    HA   SER  57           HA       SER  57   4.248  11.776  -7.752
  441   1HB   SER  57          2HB       SER  57   5.429  13.910  -7.416
  442   2HB   SER  57          1HB       SER  57   3.709  14.070  -7.063
  443    HG   SER  57           HG       SER  57   5.752  13.673  -5.131
  444    H    ASP  58           H        ASP  58   5.235  11.390  -4.429
  445    HA   ASP  58           HA       ASP  58   8.015  11.163  -4.856
  446   1HB   ASP  58          2HB       ASP  58   6.406  11.224  -2.651
  447   2HB   ASP  58          1HB       ASP  58   6.892   9.531  -2.675
  448    H    TYR  59           H        TYR  59   5.385   8.939  -5.388
  449    HA   TYR  59           HA       TYR  59   7.290   7.016  -6.487
  450   1HB   TYR  59          2HB       TYR  59   5.231   6.246  -4.406
  451   2HB   TYR  59          1HB       TYR  59   6.213   5.115  -5.333
  452    HD1  TYR  59           1HD      TYR  59   6.127   7.423  -2.541
  453    HD2  TYR  59           2HD      TYR  59   8.654   5.000  -4.951
  454    HE1  TYR  59           1HE      TYR  59   7.897   7.601  -0.856
  455    HE2  TYR  59           2HE      TYR  59  10.439   5.166  -3.264
  456    HH   TYR  59           HH       TYR  59  10.058   7.203  -0.392
  457    H    ASN  60           H        ASN  60   5.395   8.800  -7.681
  458    HA   ASN  60           HA       ASN  60   3.436   6.922  -8.826
  459   1HB   ASN  60          2HB       ASN  60   2.431   8.905  -7.754
  460   2HB   ASN  60          1HB       ASN  60   3.376   9.950  -8.811
  461   1HD2  ASN  60          1HD2      ASN  60   2.133  10.795 -10.309
  462   2HD2  ASN  60          2HD2      ASN  60   0.880   9.980 -11.179
  463    H    ILE  61           H        ILE  61   4.328   6.057 -10.543
  464    HA   ILE  61           HA       ILE  61   5.932   7.671 -12.404
  465    HB   ILE  61           HB       ILE  61   6.524   5.429 -13.384
  466   1HG1  ILE  61          2HG1      ILE  61   5.554   4.201 -10.833
  467   2HG1  ILE  61          1HG1      ILE  61   4.415   4.412 -12.159
  468   1HG2  ILE  61          1HG2      ILE  61   8.299   5.201 -11.973
  469   2HG2  ILE  61          2HG2      ILE  61   7.309   5.364 -10.522
  470   3HG2  ILE  61          3HG2      ILE  61   7.723   6.791 -11.472
  471   1HD1  ILE  61          1HD1      ILE  61   6.949   3.181 -12.947
  472   2HD1  ILE  61          2HD1      ILE  61   5.289   2.720 -13.325
  473   3HD1  ILE  61          3HD1      ILE  61   6.007   2.244 -11.787
  474    H    GLN  62           H        GLN  62   5.205   5.368 -14.372
  475    HA   GLN  62           HA       GLN  62   3.066   6.830 -15.633
  476   1HB   GLN  62          2HB       GLN  62   4.613   4.372 -16.472
  477   2HB   GLN  62          1HB       GLN  62   3.357   5.116 -17.451
  478   1HG   GLN  62          2HG       GLN  62   4.631   6.949 -17.950
  479   2HG   GLN  62          1HG       GLN  62   5.613   6.800 -16.492
  480   1HE2  GLN  62          1HE2      GLN  62   7.382   5.440 -16.488
  481   2HE2  GLN  62          2HE2      GLN  62   8.029   4.745 -17.932
  482    H    LYS  63           H        LYS  63   1.014   6.423 -15.450
  483    HA   LYS  63           HA       LYS  63  -0.237   4.737 -13.735
  484   1HB   LYS  63          2HB       LYS  63  -2.263   4.988 -15.154
  485   2HB   LYS  63          1HB       LYS  63  -1.429   6.506 -14.848
  486   1HG   LYS  63          2HG       LYS  63  -0.284   6.134 -17.095
  487   2HG   LYS  63          1HG       LYS  63  -1.509   4.896 -17.375
  488   1HD   LYS  63          2HD       LYS  63  -3.101   6.892 -16.604
  489   2HD   LYS  63          1HD       LYS  63  -1.771   7.846 -17.263
  490   1HE   LYS  63          2HE       LYS  63  -2.765   5.564 -18.880
  491   2HE   LYS  63          1HE       LYS  63  -3.797   6.987 -18.762
  492   1HZ   LYS  63          1HZ       LYS  63  -2.416   8.195 -20.023
  493   2HZ   LYS  63          2HZ       LYS  63  -1.832   6.699 -20.553
  494   3HZ   LYS  63          3HZ       LYS  63  -1.015   7.541 -19.334
  495    H    GLU  64           H        GLU  64  -1.971   3.035 -14.539
  496    HA   GLU  64           HA       GLU  64  -2.429   0.947 -15.347
  497   1HB   GLU  64          2HB       GLU  64  -1.200   2.152 -17.475
  498   2HB   GLU  64          1HB       GLU  64  -0.144   0.773 -17.204
  499   1HG   GLU  64          2HG       GLU  64  -2.113  -0.712 -17.322
  500   2HG   GLU  64          1HG       GLU  64  -3.112   0.693 -17.697
  501    H    SER  65           H        SER  65  -1.727   0.312 -13.243
  502    HA   SER  65           HA       SER  65   0.214  -1.743 -13.268
  503   1HB   SER  65          2HB       SER  65   0.915   0.883 -11.987
  504   2HB   SER  65          1HB       SER  65   1.542  -0.625 -11.321
  505    HG   SER  65           HG       SER  65   2.227   0.703 -13.631
  506    H    THR  66           H        THR  66  -0.066  -3.105 -11.592
  507    HA   THR  66           HA       THR  66  -2.464  -2.747 -10.023
  508    HB   THR  66           HB       THR  66  -1.482  -5.125  -9.181
  509    HG1  THR  66           1HG      THR  66  -0.667  -5.980 -11.333
  510   1HG2  THR  66          1HG2      THR  66  -3.540  -4.347 -10.814
  511   2HG2  THR  66          2HG2      THR  66  -3.196  -5.997 -10.294
  512   3HG2  THR  66          3HG2      THR  66  -2.596  -5.420 -11.848
  513    H    LEU  67           H        LEU  67  -2.632  -2.484  -7.854
  514    HA   LEU  67           HA       LEU  67  -0.124  -2.007  -6.401
  515   1HB   LEU  67          2HB       LEU  67  -2.907  -0.965  -5.861
  516   2HB   LEU  67          1HB       LEU  67  -1.514  -0.658  -4.840
  517    HG   LEU  67           HG       LEU  67  -0.439   0.393  -6.919
  518   1HD1  LEU  67          1HD1      LEU  67  -2.324   1.381  -8.397
  519   2HD1  LEU  67          2HD1      LEU  67  -3.261   0.004  -7.820
  520   3HD1  LEU  67          3HD1      LEU  67  -1.759  -0.262  -8.703
  521   1HD2  LEU  67          1HD2      LEU  67  -1.955   2.482  -6.591
  522   2HD2  LEU  67          2HD2      LEU  67  -0.973   1.895  -5.249
  523   3HD2  LEU  67          3HD2      LEU  67  -2.695   1.515  -5.316
  524    H    HIS  68           H        HIS  68   0.102  -2.839  -4.216
  525    HA   HIS  68           HA       HIS  68  -1.771  -5.045  -3.652
  526   1HB   HIS  68          2HB       HIS  68   0.586  -5.666  -4.424
  527   2HB   HIS  68          1HB       HIS  68   1.145  -5.028  -2.885
  528    HD1  HIS  68           1HD      HIS  68  -2.073  -6.892  -2.950
  529    HD2  HIS  68           2HD      HIS  68   1.927  -7.630  -2.107
  530    HE1  HIS  68           1HE      HIS  68  -2.028  -9.130  -1.808
  531    HE2  HIS  68           2HE      HIS  68   0.412  -9.602  -1.401
  532    H    LEU  69           H        LEU  69  -2.843  -4.840  -1.805
  533    HA   LEU  69           HA       LEU  69  -1.650  -3.181   0.317
  534   1HB   LEU  69          2HB       LEU  69  -3.805  -2.437  -1.010
  535   2HB   LEU  69          1HB       LEU  69  -4.604  -3.555   0.079
  536    HG   LEU  69           HG       LEU  69  -2.937  -1.902   1.654
  537   1HD1  LEU  69          1HD1      LEU  69  -4.823  -0.076   0.326
  538   2HD1  LEU  69          2HD1      LEU  69  -3.380  -0.498  -0.595
  539   3HD1  LEU  69          3HD1      LEU  69  -3.224   0.235   1.002
  540   1HD2  LEU  69          1HD2      LEU  69  -5.897  -1.590   1.419
  541   2HD2  LEU  69          2HD2      LEU  69  -4.875  -1.528   2.854
  542   3HD2  LEU  69          3HD2      LEU  69  -5.197  -3.072   2.072
  543    H    VAL  70           H        VAL  70  -1.163  -4.291   2.085
  544    HA   VAL  70           HA       VAL  70  -2.632  -6.785   2.637
  545    HB   VAL  70           HB       VAL  70   0.141  -6.159   3.642
  546   1HG1  VAL  70          1HG1      VAL  70  -1.394  -7.958   4.680
  547   2HG1  VAL  70          2HG1      VAL  70   0.267  -8.388   4.280
  548   3HG1  VAL  70          3HG1      VAL  70  -1.051  -8.872   3.213
  549   1HG2  VAL  70          1HG2      VAL  70  -0.239  -6.276   1.041
  550   2HG2  VAL  70          2HG2      VAL  70  -0.311  -8.010   1.351
  551   3HG2  VAL  70          3HG2      VAL  70   1.129  -7.095   1.792
  552    H    LEU  71           H        LEU  71  -3.206  -7.304   4.788
  553    HA   LEU  71           HA       LEU  71  -3.017  -5.059   6.689
  554   1HB   LEU  71          2HB       LEU  71  -5.382  -6.660   5.836
  555   2HB   LEU  71          1HB       LEU  71  -5.311  -6.100   7.496
  556    HG   LEU  71           HG       LEU  71  -4.956  -3.764   6.543
  557   1HD1  LEU  71          1HD1      LEU  71  -5.367  -5.332   4.074
  558   2HD1  LEU  71          2HD1      LEU  71  -4.447  -3.850   4.344
  559   3HD1  LEU  71          3HD1      LEU  71  -6.201  -3.782   4.179
  560   1HD2  LEU  71          1HD2      LEU  71  -7.593  -4.248   5.600
  561   2HD2  LEU  71          2HD2      LEU  71  -7.083  -3.558   7.140
  562   3HD2  LEU  71          3HD2      LEU  71  -7.299  -5.301   6.984
  563    H    ARG  72           H        ARG  72  -1.090  -6.423   7.331
  564    HA   ARG  72           HA       ARG  72  -1.652  -8.889   8.728
  565   1HB   ARG  72          2HB       ARG  72   0.740  -7.377   7.926
  566   2HB   ARG  72          1HB       ARG  72   0.889  -8.176   9.487
  567   1HG   ARG  72          2HG       ARG  72   0.506 -10.307   8.543
  568   2HG   ARG  72          1HG       ARG  72  -0.028  -9.610   7.012
  569   1HD   ARG  72          2HD       ARG  72   2.109  -9.096   6.342
  570   2HD   ARG  72          1HD       ARG  72   2.717  -8.992   7.993
  571    HE   ARG  72           HE       ARG  72   2.119 -11.608   7.746
  572   1HH1  ARG  72          1HH1      ARG  72   3.984  -9.416   5.772
  573   2HH1  ARG  72          2HH1      ARG  72   5.049 -10.649   5.185
  574   1HH2  ARG  72          1HH2      ARG  72   3.518 -13.233   6.980
  575   2HH2  ARG  72          2HH2      ARG  72   4.784 -12.821   5.872
  576    H    LEU  73           H        LEU  73  -1.172  -9.193  11.064
  577    HA   LEU  73           HA       LEU  73  -1.926  -6.795  12.579
  578   1HB   LEU  73          2HB       LEU  73  -3.183  -9.098  12.631
  579   2HB   LEU  73          1HB       LEU  73  -1.894  -9.557  13.728
  580    HG   LEU  73           HG       LEU  73  -2.509  -7.687  15.216
  581   1HD1  LEU  73          1HD1      LEU  73  -4.670  -7.255  13.169
  582   2HD1  LEU  73          2HD1      LEU  73  -3.441  -6.111  13.705
  583   3HD1  LEU  73          3HD1      LEU  73  -4.733  -6.597  14.803
  584   1HD2  LEU  73          1HD2      LEU  73  -4.993  -8.656  15.556
  585   2HD2  LEU  73          2HD2      LEU  73  -3.536  -9.506  16.070
  586   3HD2  LEU  73          3HD2      LEU  73  -4.309  -9.924  14.540
  587    H    ARG  74           H        ARG  74  -0.661  -6.012  14.219
  588    HA   ARG  74           HA       ARG  74   1.619  -7.518  15.162
  589   1HB   ARG  74          2HB       ARG  74   1.864  -5.317  13.217
  590   2HB   ARG  74          1HB       ARG  74   2.943  -5.209  14.600
  591   1HG   ARG  74          2HG       ARG  74   4.036  -7.190  14.063
  592   2HG   ARG  74          1HG       ARG  74   2.723  -7.742  13.021
  593   1HD   ARG  74          2HD       ARG  74   3.787  -6.887  11.268
  594   2HD   ARG  74          1HD       ARG  74   3.626  -5.281  11.976
  595    HE   ARG  74           HE       ARG  74   5.823  -5.380  12.670
  596   1HH1  ARG  74          1HH1      ARG  74   4.836  -8.496  11.440
  597   2HH1  ARG  74          2HH1      ARG  74   6.448  -9.125  11.387
  598   1HH2  ARG  74          1HH2      ARG  74   7.943  -6.210  12.605
  599   2HH2  ARG  74          2HH2      ARG  74   8.213  -7.829  12.048
  600    H    GLY  75           H        GLY  75  -0.888  -5.984  16.074
  601   1HA   GLY  75          2HA       GLY  75   0.247  -3.979  17.839
  602   2HA   GLY  75          1HA       GLY  75  -1.453  -4.380  17.673
  603    H    GLY  76           H        GLY  76   0.808  -6.960  18.197
  604   1HA   GLY  76          2HA       GLY  76   1.171  -7.079  20.885
  605   2HA   GLY  76          1HA       GLY  76  -0.497  -7.596  20.693
  606    H    HIS  77           H        HIS  77   0.185  -9.636  21.631
  607    HA   HIS  77           HA       HIS  77   1.459 -11.368  19.621
  608   1HB   HIS  77          2HB       HIS  77   2.116 -11.011  22.494
  609   2HB   HIS  77          1HB       HIS  77   2.155 -12.655  21.863
  610    HD1  HIS  77           1HD      HIS  77   4.104  -9.573  22.020
  611    HD2  HIS  77           2HD      HIS  77   4.019 -12.986  19.652
  612    HE1  HIS  77           1HE      HIS  77   6.313  -9.614  20.816
  613    HE2  HIS  77           2HE      HIS  77   6.267 -11.728  19.448
  614    H    HIS  78           H        HIS  78   0.307 -13.048  19.045
  615    HA   HIS  78           HA       HIS  78  -2.160 -13.665  20.424
  616   1HB   HIS  78          2HB       HIS  78  -2.672 -15.073  18.514
  617   2HB   HIS  78          1HB       HIS  78  -2.120 -13.497  17.965
  618    HD1  HIS  78           1HD      HIS  78   1.012 -14.360  18.397
  619    HD2  HIS  78           2HD      HIS  78  -1.888 -16.282  16.126
  620    HE1  HIS  78           1HE      HIS  78   2.272 -15.635  16.641
  621    HE2  HIS  78           2HE      HIS  78   0.502 -16.829  15.306
  622    H    HIS  79           H        HIS  79  -2.595 -15.453  21.593
  623    HA   HIS  79           HA       HIS  79  -0.338 -17.154  22.296
  624   1HB   HIS  79          2HB       HIS  79  -3.114 -16.900  23.466
  625   2HB   HIS  79          1HB       HIS  79  -1.890 -18.019  24.061
  626    HD1  HIS  79           1HD      HIS  79  -3.070 -15.759  25.836
  627    HD2  HIS  79           2HD      HIS  79   0.470 -15.479  23.682
  628    HE1  HIS  79           1HE      HIS  79  -1.717 -13.984  26.994
  629    HE2  HIS  79           2HE      HIS  79   0.373 -13.757  25.607
  630    H    HIS  80           H        HIS  80  -0.047 -19.132  21.527
  631    HA   HIS  80           HA       HIS  80  -2.270 -20.434  20.107
  632   1HB   HIS  80          2HB       HIS  80  -0.524 -21.645  18.824
  633   2HB   HIS  80          1HB       HIS  80  -0.464 -19.901  18.600
  634    HD1  HIS  80           1HD      HIS  80   1.044 -20.511  21.776
  635    HD2  HIS  80           2HD      HIS  80   2.281 -20.919  17.832
  636    HE1  HIS  80           1HE      HIS  80   3.555 -20.529  21.863
  637    HE2  HIS  80           2HE      HIS  80   4.280 -20.723  19.460
  638    H    HIS  81           H        HIS  81  -3.000 -22.336  20.790
  639    HA   HIS  81           HA       HIS  81  -1.612 -23.667  23.017
  640   1HB   HIS  81          2HB       HIS  81  -4.439 -23.869  21.956
  641   2HB   HIS  81          1HB       HIS  81  -3.799 -24.926  23.210
  642    HD1  HIS  81           1HD      HIS  81  -5.856 -22.136  22.980
  643    HD2  HIS  81           2HD      HIS  81  -2.562 -23.023  25.351
  644    HE1  HIS  81           1HE      HIS  81  -6.020 -20.596  24.961
  645    HE2  HIS  81           2HE      HIS  81  -4.052 -21.198  26.413
  646    H    HIS  82           H        HIS  82  -0.055 -24.935  22.037
  647    HA   HIS  82           HA       HIS  82  -0.596 -26.479  19.690
  648   1HB   HIS  82          2HB       HIS  82   1.700 -25.715  21.185
  649   2HB   HIS  82          1HB       HIS  82   1.709 -27.472  21.056
  650    HD1  HIS  82           1HD      HIS  82   1.967 -28.486  18.687
  651    HD2  HIS  82           2HD      HIS  82   2.120 -24.335  18.794
  652    HE1  HIS  82           1HE      HIS  82   2.860 -27.791  16.442
  653    HE2  HIS  82           2HE      HIS  82   3.023 -25.277  16.559
  Start of MODEL   16
    1   1H    MET   1          1HT       MET   1  -5.354   8.715 -14.296
    2   2H    MET   1          2HT       MET   1  -5.772   7.113 -14.743
    3   3H    MET   1          3HT       MET   1  -5.240   7.449 -13.147
    4    HA   MET   1           HA       MET   1  -7.150   8.503 -12.570
    5   1HB   MET   1          2HB       MET   1  -8.849   9.133 -14.318
    6   2HB   MET   1          1HB       MET   1  -7.335  10.019 -14.404
    7   1HG   MET   1          2HG       MET   1  -7.354   9.521 -16.567
    8   2HG   MET   1          1HG       MET   1  -6.869   7.902 -16.070
    9   1HE   MET   1          1HE       MET   1  -9.249   7.007 -18.860
   10   2HE   MET   1          2HE       MET   1  -8.294   6.036 -17.739
   11   3HE   MET   1          3HE       MET   1  -7.612   7.507 -18.431
   12    H    GLN   2           H        GLN   2  -6.299   5.699 -13.231
   13    HA   GLN   2           HA       GLN   2  -8.683   4.392 -12.509
   14   1HB   GLN   2          2HB       GLN   2  -8.743   4.931 -15.153
   15   2HB   GLN   2          1HB       GLN   2  -7.908   3.383 -15.179
   16   1HG   GLN   2          2HG       GLN   2  -9.873   2.670 -13.590
   17   2HG   GLN   2          1HG       GLN   2 -10.690   4.028 -14.362
   18   1HE2  GLN   2          1HE2      GLN   2 -12.045   3.208 -15.798
   19   2HE2  GLN   2          2HE2      GLN   2 -11.667   2.002 -16.975
   20    H    ILE   3           H        ILE   3  -7.563   3.315 -11.007
   21    HA   ILE   3           HA       ILE   3  -5.463   1.460 -11.944
   22    HB   ILE   3           HB       ILE   3  -4.500   1.585  -9.646
   23   1HG1  ILE   3          2HG1      ILE   3  -5.813   4.192  -9.161
   24   2HG1  ILE   3          1HG1      ILE   3  -6.825   2.770  -8.927
   25   1HG2  ILE   3          1HG2      ILE   3  -3.313   3.654 -10.019
   26   2HG2  ILE   3          2HG2      ILE   3  -4.581   4.221 -11.106
   27   3HG2  ILE   3          3HG2      ILE   3  -3.580   2.842 -11.561
   28   1HD1  ILE   3          1HD1      ILE   3  -5.584   3.678  -6.907
   29   2HD1  ILE   3          2HD1      ILE   3  -4.127   3.019  -7.652
   30   3HD1  ILE   3          3HD1      ILE   3  -5.458   1.946  -7.219
   31    H    PHE   4           H        PHE   4  -5.172  -0.432 -10.445
   32    HA   PHE   4           HA       PHE   4  -7.795  -1.361  -9.474
   33   1HB   PHE   4          2HB       PHE   4  -5.837  -2.600 -11.245
   34   2HB   PHE   4          1HB       PHE   4  -6.230  -3.627  -9.869
   35    HD1  PHE   4           1HD      PHE   4  -8.789  -3.818  -9.355
   36    HD2  PHE   4           2HD      PHE   4  -7.173  -2.738 -13.124
   37    HE1  PHE   4           1HE      PHE   4 -10.845  -4.600 -10.437
   38    HE2  PHE   4           2HE      PHE   4  -9.242  -3.496 -14.225
   39    HZ   PHE   4           HZ       PHE   4 -11.079  -4.437 -12.880
   40    H    VAL   5           H        VAL   5  -7.873  -2.331  -7.426
   41    HA   VAL   5           HA       VAL   5  -5.332  -2.567  -5.986
   42    HB   VAL   5           HB       VAL   5  -7.705  -1.135  -4.818
   43   1HG1  VAL   5          1HG1      VAL   5  -5.076  -0.757  -3.615
   44   2HG1  VAL   5          2HG1      VAL   5  -5.675  -2.414  -3.531
   45   3HG1  VAL   5          3HG1      VAL   5  -6.636  -1.094  -2.864
   46   1HG2  VAL   5          1HG2      VAL   5  -5.251   0.402  -5.269
   47   2HG2  VAL   5          2HG2      VAL   5  -6.938   0.867  -5.481
   48   3HG2  VAL   5          3HG2      VAL   5  -6.116  -0.056  -6.733
   49    H    LYS   6           H        LYS   6  -5.243  -4.492  -5.067
   50    HA   LYS   6           HA       LYS   6  -7.683  -6.001  -4.629
   51   1HB   LYS   6          2HB       LYS   6  -4.793  -6.636  -4.863
   52   2HB   LYS   6          1HB       LYS   6  -5.751  -7.708  -3.850
   53   1HG   LYS   6          2HG       LYS   6  -7.015  -7.160  -6.409
   54   2HG   LYS   6          1HG       LYS   6  -5.420  -7.893  -6.576
   55   1HD   LYS   6          2HD       LYS   6  -7.420  -9.020  -4.654
   56   2HD   LYS   6          1HD       LYS   6  -7.501  -9.423  -6.371
   57   1HE   LYS   6          2HE       LYS   6  -5.590 -10.652  -6.311
   58   2HE   LYS   6          1HE       LYS   6  -4.859  -9.652  -5.056
   59   1HZ   LYS   6          1HZ       LYS   6  -5.742 -10.898  -3.421
   60   2HZ   LYS   6          2HZ       LYS   6  -5.790 -12.097  -4.613
   61   3HZ   LYS   6          3HZ       LYS   6  -7.182 -11.204  -4.256
   62    H    THR   7           H        THR   7  -8.642  -6.197  -2.757
   63    HA   THR   7           HA       THR   7  -7.359  -5.113  -0.380
   64    HB   THR   7           HB       THR   7  -9.560  -5.214   0.654
   65    HG1  THR   7           1HG      THR   7 -10.230  -6.654  -1.676
   66   1HG2  THR   7          1HG2      THR   7 -10.908  -3.856  -0.918
   67   2HG2  THR   7          2HG2      THR   7  -9.676  -4.135  -2.148
   68   3HG2  THR   7          3HG2      THR   7  -9.269  -3.254  -0.678
   69    H    LEU   8           H        LEU   8  -8.301  -6.410   1.711
   70    HA   LEU   8           HA       LEU   8  -6.861  -8.894   1.638
   71   1HB   LEU   8          2HB       LEU   8  -7.000  -7.233   3.581
   72   2HB   LEU   8          1HB       LEU   8  -8.578  -7.923   3.908
   73    HG   LEU   8           HG       LEU   8  -7.170 -10.189   3.864
   74   1HD1  LEU   8          1HD1      LEU   8  -5.168  -8.392   5.141
   75   2HD1  LEU   8          2HD1      LEU   8  -5.107  -8.662   3.400
   76   3HD1  LEU   8          3HD1      LEU   8  -4.972 -10.026   4.510
   77   1HD2  LEU   8          1HD2      LEU   8  -8.413  -9.836   5.758
   78   2HD2  LEU   8          2HD2      LEU   8  -7.736  -8.231   6.035
   79   3HD2  LEU   8          3HD2      LEU   8  -6.782  -9.667   6.406
   80    H    THR   9           H        THR   9 -10.146  -7.943   1.263
   81    HA   THR   9           HA       THR   9 -11.198 -10.568   1.891
   82    HB   THR   9           HB       THR   9 -12.624  -8.198   0.669
   83    HG1  THR   9           1HG      THR   9 -13.335  -8.064   3.003
   84   1HG2  THR   9          1HG2      THR   9 -14.630  -9.173   1.194
   85   2HG2  THR   9          2HG2      THR   9 -13.924 -10.234   2.412
   86   3HG2  THR   9          3HG2      THR   9 -13.685 -10.574   0.699
   87    H    GLY  10           H        GLY  10  -9.764  -9.092  -0.805
   88   1HA   GLY  10          2HA       GLY  10  -9.285 -10.383  -2.764
   89   2HA   GLY  10          1HA       GLY  10 -10.802 -11.237  -2.521
   90    H    ALA  11           H        ALA  11 -11.505  -8.135  -1.901
   91    HA   ALA  11           HA       ALA  11 -12.763  -7.769  -4.487
   92   1HB   ALA  11          1HB       ALA  11 -13.539  -7.204  -1.916
   93   2HB   ALA  11          2HB       ALA  11 -14.326  -6.626  -3.385
   94   3HB   ALA  11          3HB       ALA  11 -13.137  -5.614  -2.566
   95    H    THR  12           H        THR  12 -11.766  -6.733  -6.093
   96    HA   THR  12           HA       THR  12  -9.600  -4.904  -5.558
   97    HB   THR  12           HB       THR  12 -10.469  -4.966  -8.326
   98    HG1  THR  12           1HG      THR  12  -9.592  -7.391  -8.161
   99   1HG2  THR  12          1HG2      THR  12  -8.008  -6.377  -7.695
  100   2HG2  THR  12          2HG2      THR  12  -8.080  -4.768  -6.989
  101   3HG2  THR  12          3HG2      THR  12  -8.275  -4.978  -8.717
  102    H    ILE  13           H        ILE  13  -9.682  -2.700  -5.693
  103    HA   ILE  13           HA       ILE  13 -12.316  -1.538  -6.332
  104    HB   ILE  13           HB       ILE  13 -11.765   0.305  -4.795
  105   1HG1  ILE  13          2HG1      ILE  13  -9.511  -1.275  -3.641
  106   2HG1  ILE  13          1HG1      ILE  13  -9.205  -0.322  -5.087
  107   1HG2  ILE  13          1HG2      ILE  13 -11.364  -1.990  -3.016
  108   2HG2  ILE  13          2HG2      ILE  13 -12.686  -2.174  -4.166
  109   3HG2  ILE  13          3HG2      ILE  13 -12.665  -0.801  -3.062
  110   1HD1  ILE  13          1HD1      ILE  13 -10.609   1.144  -2.993
  111   2HD1  ILE  13          2HD1      ILE  13  -9.206   1.594  -3.963
  112   3HD1  ILE  13          3HD1      ILE  13  -9.000   0.583  -2.536
  113    H    THR  14           H        THR  14 -12.470   0.208  -7.616
  114    HA   THR  14           HA       THR  14 -10.100   0.931  -9.181
  115    HB   THR  14           HB       THR  14 -11.724   1.981 -10.735
  116    HG1  THR  14           1HG      THR  14 -13.739   2.211 -10.200
  117   1HG2  THR  14          1HG2      THR  14 -12.993  -0.634 -10.365
  118   2HG2  THR  14          2HG2      THR  14 -11.237  -0.661 -10.529
  119   3HG2  THR  14          3HG2      THR  14 -12.230   0.074 -11.789
  120    H    LEU  15           H        LEU  15  -9.053   2.788  -8.806
  121    HA   LEU  15           HA       LEU  15 -10.537   5.022  -7.620
  122   1HB   LEU  15          2HB       LEU  15  -8.429   3.463  -6.376
  123   2HB   LEU  15          1HB       LEU  15  -8.015   5.164  -6.457
  124    HG   LEU  15           HG       LEU  15 -10.199   5.680  -5.335
  125   1HD1  LEU  15          1HD1      LEU  15 -11.014   3.245  -5.986
  126   2HD1  LEU  15          2HD1      LEU  15 -11.626   4.085  -4.568
  127   3HD1  LEU  15          3HD1      LEU  15 -10.360   2.876  -4.401
  128   1HD2  LEU  15          1HD2      LEU  15  -7.797   5.016  -4.267
  129   2HD2  LEU  15          2HD2      LEU  15  -8.867   3.892  -3.432
  130   3HD2  LEU  15          3HD2      LEU  15  -9.170   5.626  -3.345
  131    H    GLU  16           H        GLU  16  -9.349   7.046  -7.646
  132    HA   GLU  16           HA       GLU  16  -7.722   7.314 -10.083
  133   1HB   GLU  16          2HB       GLU  16  -9.902   8.973  -8.934
  134   2HB   GLU  16          1HB       GLU  16  -8.570   9.834  -9.687
  135   1HG   GLU  16          2HG       GLU  16  -8.939   8.468 -11.737
  136   2HG   GLU  16          1HG       GLU  16 -10.377   7.799 -10.967
  137    H    VAL  17           H        VAL  17  -5.714   8.228  -9.903
  138    HA   VAL  17           HA       VAL  17  -4.808   8.795  -7.216
  139    HB   VAL  17           HB       VAL  17  -2.553   8.936  -8.255
  140   1HG1  VAL  17          1HG1      VAL  17  -3.884   6.759  -7.517
  141   2HG1  VAL  17          2HG1      VAL  17  -2.263   6.683  -8.208
  142   3HG1  VAL  17          3HG1      VAL  17  -3.668   6.366  -9.224
  143   1HG2  VAL  17          1HG2      VAL  17  -4.146   8.939 -10.680
  144   2HG2  VAL  17          2HG2      VAL  17  -2.865   7.727 -10.708
  145   3HG2  VAL  17          3HG2      VAL  17  -2.471   9.421 -10.419
  146    H    GLU  18           H        GLU  18  -3.267  10.599  -6.880
  147    HA   GLU  18           HA       GLU  18  -3.620  12.983  -8.472
  148   1HB   GLU  18          2HB       GLU  18  -5.431  12.580  -6.480
  149   2HB   GLU  18          1HB       GLU  18  -4.183  13.482  -5.630
  150   1HG   GLU  18          2HG       GLU  18  -4.411  14.942  -7.888
  151   2HG   GLU  18          1HG       GLU  18  -6.060  14.347  -7.711
  152    H    SER  19           H        SER  19  -2.170  14.697  -7.886
  153    HA   SER  19           HA       SER  19   0.369  13.750  -6.988
  154   1HB   SER  19          2HB       SER  19  -0.085  15.642  -8.657
  155   2HB   SER  19          1HB       SER  19  -0.426  16.652  -7.252
  156    HG   SER  19           HG       SER  19   1.995  15.359  -7.936
  157    H    SER  20           H        SER  20  -2.287  15.532  -5.586
  158    HA   SER  20           HA       SER  20  -0.851  16.065  -3.115
  159   1HB   SER  20          2HB       SER  20  -3.642  16.708  -4.062
  160   2HB   SER  20          1HB       SER  20  -3.093  17.061  -2.427
  161    HG   SER  20           HG       SER  20  -2.222  18.787  -3.221
  162    H    ASP  21           H        ASP  21  -2.181  13.347  -4.288
  163    HA   ASP  21           HA       ASP  21  -3.686  12.535  -1.952
  164   1HB   ASP  21          2HB       ASP  21  -3.402  11.634  -4.667
  165   2HB   ASP  21          1HB       ASP  21  -3.137  10.284  -3.566
  166    H    THR  22           H        THR  22  -2.673  11.959  -0.161
  167    HA   THR  22           HA       THR  22  -0.174  10.427  -0.399
  168    HB   THR  22           HB       THR  22   0.109  11.433   2.061
  169    HG1  THR  22           1HG      THR  22  -1.714  13.116   0.815
  170   1HG2  THR  22          1HG2      THR  22   1.923  11.910   0.830
  171   2HG2  THR  22          2HG2      THR  22   1.191  13.513   0.809
  172   3HG2  THR  22          3HG2      THR  22   0.983  12.431  -0.567
  173    H    ILE  23           H        ILE  23   0.272   9.213   1.680
  174    HA   ILE  23           HA       ILE  23  -1.653   7.231   2.034
  175    HB   ILE  23           HB       ILE  23   0.563   7.934   3.975
  176   1HG1  ILE  23          2HG1      ILE  23   1.645   5.933   2.698
  177   2HG1  ILE  23          1HG1      ILE  23   0.495   6.330   1.433
  178   1HG2  ILE  23          1HG2      ILE  23  -1.212   6.406   4.842
  179   2HG2  ILE  23          2HG2      ILE  23   0.386   5.668   4.756
  180   3HG2  ILE  23          3HG2      ILE  23  -0.825   5.293   3.530
  181   1HD1  ILE  23          1HD1      ILE  23   2.305   7.518   0.739
  182   2HD1  ILE  23          2HD1      ILE  23   2.873   7.831   2.377
  183   3HD1  ILE  23          3HD1      ILE  23   1.516   8.737   1.731
  184    H    ASP  24           H        ASP  24  -1.379  10.334   3.495
  185    HA   ASP  24           HA       ASP  24  -2.935   9.760   5.840
  186   1HB   ASP  24          2HB       ASP  24  -1.926  12.250   4.501
  187   2HB   ASP  24          1HB       ASP  24  -3.169  12.375   5.743
  188    H    ASN  25           H        ASN  25  -3.527  11.176   2.660
  189    HA   ASN  25           HA       ASN  25  -6.237  11.834   3.025
  190   1HB   ASN  25          2HB       ASN  25  -4.361  11.920   0.894
  191   2HB   ASN  25          1HB       ASN  25  -5.777  11.060   0.299
  192   1HD2  ASN  25          1HD2      ASN  25  -5.185  13.831   2.437
  193   2HD2  ASN  25          2HD2      ASN  25  -6.299  14.891   1.651
  194    H    VAL  26           H        VAL  26  -4.658   8.872   1.937
  195    HA   VAL  26           HA       VAL  26  -6.964   7.464   1.156
  196    HB   VAL  26           HB       VAL  26  -4.529   6.171   2.390
  197   1HG1  VAL  26          1HG1      VAL  26  -5.698   4.331   1.909
  198   2HG1  VAL  26          2HG1      VAL  26  -5.390   4.698   0.213
  199   3HG1  VAL  26          3HG1      VAL  26  -6.887   5.238   0.973
  200   1HG2  VAL  26          1HG2      VAL  26  -3.273   6.481   0.517
  201   2HG2  VAL  26          2HG2      VAL  26  -4.230   7.959   0.429
  202   3HG2  VAL  26          3HG2      VAL  26  -4.678   6.562  -0.546
  203    H    LYS  27           H        LYS  27  -5.197   7.497   4.237
  204    HA   LYS  27           HA       LYS  27  -6.839   5.720   5.599
  205   1HB   LYS  27          2HB       LYS  27  -4.542   6.815   6.218
  206   2HB   LYS  27          1HB       LYS  27  -5.560   7.979   7.059
  207   1HG   LYS  27          2HG       LYS  27  -6.638   6.040   8.212
  208   2HG   LYS  27          1HG       LYS  27  -5.380   5.023   7.515
  209   1HD   LYS  27          2HD       LYS  27  -4.462   7.457   8.917
  210   2HD   LYS  27          1HD       LYS  27  -5.167   6.191   9.927
  211   1HE   LYS  27          2HE       LYS  27  -3.567   4.618   9.251
  212   2HE   LYS  27          1HE       LYS  27  -3.058   5.589   7.880
  213   1HZ   LYS  27          1HZ       LYS  27  -1.401   5.765   9.546
  214   2HZ   LYS  27          2HZ       LYS  27  -2.534   6.113  10.752
  215   3HZ   LYS  27          3HZ       LYS  27  -2.226   7.243   9.532
  216    H    SER  28           H        SER  28  -6.966   9.253   5.511
  217    HA   SER  28           HA       SER  28  -9.122   9.593   7.252
  218   1HB   SER  28          2HB       SER  28  -7.478  11.310   6.102
  219   2HB   SER  28          1HB       SER  28  -8.781  11.436   4.921
  220    HG   SER  28           HG       SER  28 -10.185  11.916   6.700
  221    H    LYS  29           H        LYS  29  -9.023   8.957   3.791
  222    HA   LYS  29           HA       LYS  29 -11.780   9.393   3.318
  223   1HB   LYS  29          2HB       LYS  29  -9.607   7.995   1.786
  224   2HB   LYS  29          1HB       LYS  29 -11.276   7.952   1.233
  225   1HG   LYS  29          2HG       LYS  29 -11.050  10.575   1.587
  226   2HG   LYS  29          1HG       LYS  29  -9.353  10.198   1.291
  227   1HD   LYS  29          2HD       LYS  29  -9.703   9.744  -0.879
  228   2HD   LYS  29          1HD       LYS  29 -11.228   8.915  -0.563
  229   1HE   LYS  29          2HE       LYS  29 -12.022  11.387  -0.026
  230   2HE   LYS  29          1HE       LYS  29 -10.693  11.783  -1.115
  231   1HZ   LYS  29          1HZ       LYS  29 -11.967   9.820  -2.447
  232   2HZ   LYS  29          2HZ       LYS  29 -12.209  11.473  -2.706
  233   3HZ   LYS  29          3HZ       LYS  29 -13.262  10.614  -1.700
  234    H    ILE  30           H        ILE  30 -10.438   7.029   5.205
  235    HA   ILE  30           HA       ILE  30 -12.193   4.883   4.351
  236    HB   ILE  30           HB       ILE  30 -10.554   4.986   6.884
  237   1HG1  ILE  30          2HG1      ILE  30  -9.648   3.790   4.269
  238   2HG1  ILE  30          1HG1      ILE  30  -9.224   5.431   4.748
  239   1HG2  ILE  30          1HG2      ILE  30 -12.382   3.210   6.410
  240   2HG2  ILE  30          2HG2      ILE  30 -10.804   2.685   6.992
  241   3HG2  ILE  30          3HG2      ILE  30 -11.204   2.549   5.280
  242   1HD1  ILE  30          1HD1      ILE  30  -8.121   2.892   5.605
  243   2HD1  ILE  30          2HD1      ILE  30  -8.553   3.943   6.954
  244   3HD1  ILE  30          3HD1      ILE  30  -7.449   4.513   5.711
  245    H    GLN  31           H        GLN  31 -13.205   7.547   5.314
  246    HA   GLN  31           HA       GLN  31 -14.474   6.976   7.849
  247   1HB   GLN  31          2HB       GLN  31 -13.936   9.294   6.232
  248   2HB   GLN  31          1HB       GLN  31 -15.636   9.266   6.669
  249   1HG   GLN  31          2HG       GLN  31 -15.077   9.158   9.010
  250   2HG   GLN  31          1HG       GLN  31 -13.361   9.026   8.624
  251   1HE2  GLN  31          1HE2      GLN  31 -12.205  10.828   8.431
  252   2HE2  GLN  31          2HE2      GLN  31 -12.847  12.431   8.396
  253    H    ALA  32           H        ALA  32 -16.965   8.199   7.441
  254    HA   ALA  32           HA       ALA  32 -19.093   7.848   6.718
  255   1HB   ALA  32          1HB       ALA  32 -18.515   5.949   4.567
  256   2HB   ALA  32          2HB       ALA  32 -17.659   7.484   4.427
  257   3HB   ALA  32          3HB       ALA  32 -19.418   7.462   4.537
  258    H    ALA  33           H        ALA  33 -17.453   4.753   5.981
  259    HA   ALA  33           HA       ALA  33 -19.369   3.436   7.800
  260   1HB   ALA  33          1HB       ALA  33 -19.797   1.996   6.170
  261   2HB   ALA  33          2HB       ALA  33 -18.093   1.557   6.080
  262   3HB   ALA  33          3HB       ALA  33 -18.713   2.889   5.104
  263    HA   PRO  34           HA       PRO  34 -15.458   2.805  10.052
  264   1HB   PRO  34          2HB       PRO  34 -17.184   2.077  12.289
  265   2HB   PRO  34          1HB       PRO  34 -16.058   3.429  12.148
  266   1HG   PRO  34          2HG       PRO  34 -18.751   3.749  12.198
  267   2HG   PRO  34          1HG       PRO  34 -17.660   4.850  11.338
  268   1HD   PRO  34          2HD       PRO  34 -19.360   2.636  10.256
  269   2HD   PRO  34          1HD       PRO  34 -19.044   4.249   9.581
  270    H    GLY  35           H        GLY  35 -15.147   0.933  11.910
  271   1HA   GLY  35          2HA       GLY  35 -15.811  -1.416  12.345
  272   2HA   GLY  35          1HA       GLY  35 -16.015  -1.577  10.608
  273    H    ILE  36           H        ILE  36 -13.638  -0.081   9.941
  274    HA   ILE  36           HA       ILE  36 -11.603  -2.047  10.763
  275    HB   ILE  36           HB       ILE  36 -11.550  -0.504   8.180
  276   1HG1  ILE  36          2HG1      ILE  36 -13.572  -1.810   8.101
  277   2HG1  ILE  36          1HG1      ILE  36 -12.362  -2.615   7.109
  278   1HG2  ILE  36          1HG2      ILE  36 -10.192  -2.741   7.687
  279   2HG2  ILE  36          2HG2      ILE  36  -9.933  -2.644   9.429
  280   3HG2  ILE  36          3HG2      ILE  36  -9.442  -1.307   8.388
  281   1HD1  ILE  36          1HD1      ILE  36 -12.699  -3.451   9.947
  282   2HD1  ILE  36          2HD1      ILE  36 -12.164  -4.383   8.551
  283   3HD1  ILE  36          3HD1      ILE  36 -13.870  -3.977   8.738
  284    HA   PRO  37           HA       PRO  37  -9.395   1.422  12.480
  285   1HB   PRO  37          2HB       PRO  37  -6.984  -0.241  12.223
  286   2HB   PRO  37          1HB       PRO  37  -7.743   0.407  13.676
  287   1HG   PRO  37          2HG       PRO  37  -7.837  -2.209  13.100
  288   2HG   PRO  37          1HG       PRO  37  -9.199  -1.378  13.872
  289   1HD   PRO  37          2HD       PRO  37  -8.838  -2.159  11.000
  290   2HD   PRO  37          1HD       PRO  37 -10.277  -2.298  12.034
  291    HA   PRO  38           HA       PRO  38  -7.919   3.169   8.616
  292   1HB   PRO  38          2HB       PRO  38  -7.100   5.557   9.711
  293   2HB   PRO  38          1HB       PRO  38  -8.763   5.201   9.239
  294   1HG   PRO  38          2HG       PRO  38  -7.482   5.086  11.934
  295   2HG   PRO  38          1HG       PRO  38  -9.081   5.703  11.476
  296   1HD   PRO  38          2HD       PRO  38  -8.773   3.289  12.605
  297   2HD   PRO  38          1HD       PRO  38 -10.003   3.582  11.358
  298    H    ASP  39           H        ASP  39  -6.022   3.159  11.625
  299    HA   ASP  39           HA       ASP  39  -3.531   3.640  10.297
  300   1HB   ASP  39          2HB       ASP  39  -4.284   4.079  12.807
  301   2HB   ASP  39          1HB       ASP  39  -3.626   2.459  13.030
  302    H    GLN  40           H        GLN  40  -5.527   1.009  10.472
  303    HA   GLN  40           HA       GLN  40  -3.361  -0.946  10.469
  304   1HB   GLN  40          2HB       GLN  40  -5.700  -1.133  11.671
  305   2HB   GLN  40          1HB       GLN  40  -6.228  -1.686  10.090
  306   1HG   GLN  40          2HG       GLN  40  -5.275  -3.680  10.353
  307   2HG   GLN  40          1HG       GLN  40  -3.791  -2.985  11.006
  308   1HE2  GLN  40          1HE2      GLN  40  -5.250  -5.340  11.873
  309   2HE2  GLN  40          2HE2      GLN  40  -5.661  -5.074  13.530
  310    H    GLN  41           H        GLN  41  -4.220   1.097   8.273
  311    HA   GLN  41           HA       GLN  41  -4.313  -0.901   6.107
  312   1HB   GLN  41          2HB       GLN  41  -5.853   1.580   6.534
  313   2HB   GLN  41          1HB       GLN  41  -5.239   1.354   4.901
  314   1HG   GLN  41          2HG       GLN  41  -6.264  -1.002   5.087
  315   2HG   GLN  41          1HG       GLN  41  -7.170  -0.329   6.440
  316   1HE2  GLN  41          1HE2      GLN  41  -9.137  -0.508   5.419
  317   2HE2  GLN  41          2HE2      GLN  41  -9.596   0.495   4.089
  318    H    GLU  42           H        GLU  42  -2.725  -0.871   4.693
  319    HA   GLU  42           HA       GLU  42  -1.190   1.519   4.142
  320   1HB   GLU  42          2HB       GLU  42   0.118  -0.918   5.354
  321   2HB   GLU  42          1HB       GLU  42   0.982   0.437   4.639
  322   1HG   GLU  42          2HG       GLU  42  -0.423   1.832   6.356
  323   2HG   GLU  42          1HG       GLU  42  -0.519   0.286   7.198
  324    H    LEU  43           H        LEU  43   0.249   1.275   2.288
  325    HA   LEU  43           HA       LEU  43  -0.708  -0.791   0.454
  326   1HB   LEU  43          2HB       LEU  43   1.238   1.348  -0.320
  327   2HB   LEU  43          1HB       LEU  43   0.027   0.551  -1.304
  328    HG   LEU  43           HG       LEU  43  -1.648   1.831   0.285
  329   1HD1  LEU  43          1HD1      LEU  43   0.265   2.710   1.678
  330   2HD1  LEU  43          2HD1      LEU  43  -0.875   3.915   1.091
  331   3HD1  LEU  43          3HD1      LEU  43   0.689   3.724   0.302
  332   1HD2  LEU  43          1HD2      LEU  43  -1.994   2.471  -1.840
  333   2HD2  LEU  43          2HD2      LEU  43  -0.270   2.556  -2.204
  334   3HD2  LEU  43          3HD2      LEU  43  -1.063   3.894  -1.374
  335    H    ILE  44           H        ILE  44   0.622  -2.382  -0.332
  336    HA   ILE  44           HA       ILE  44   3.458  -2.272   0.342
  337    HB   ILE  44           HB       ILE  44   1.855  -4.688   1.158
  338   1HG1  ILE  44          2HG1      ILE  44   2.671  -3.657   3.512
  339   2HG1  ILE  44          1HG1      ILE  44   2.425  -2.167   2.613
  340   1HG2  ILE  44          1HG2      ILE  44   4.268  -4.461   2.586
  341   2HG2  ILE  44          2HG2      ILE  44   4.652  -4.143   0.895
  342   3HG2  ILE  44          3HG2      ILE  44   3.845  -5.643   1.349
  343   1HD1  ILE  44          1HD1      ILE  44   0.132  -2.707   2.223
  344   2HD1  ILE  44          2HD1      ILE  44   0.466  -2.900   3.943
  345   3HD1  ILE  44          3HD1      ILE  44   0.348  -4.319   2.903
  346    H    PHE  45           H        PHE  45   4.742  -3.230  -1.139
  347    HA   PHE  45           HA       PHE  45   3.489  -4.520  -3.425
  348   1HB   PHE  45          2HB       PHE  45   6.264  -3.586  -2.800
  349   2HB   PHE  45          1HB       PHE  45   5.951  -4.604  -4.197
  350    HD1  PHE  45           1HD      PHE  45   5.842  -1.283  -2.828
  351    HD2  PHE  45           2HD      PHE  45   4.432  -3.749  -5.997
  352    HE1  PHE  45           1HE      PHE  45   5.256   0.724  -4.126
  353    HE2  PHE  45           2HE      PHE  45   3.844  -1.746  -7.296
  354    HZ   PHE  45           HZ       PHE  45   4.252   0.494  -6.359
  355    H    ALA  46           H        ALA  46   3.641  -5.781  -0.692
  356    HA   ALA  46           HA       ALA  46   3.859  -7.890   0.142
  357   1HB   ALA  46          1HB       ALA  46   4.934  -9.577  -1.669
  358   2HB   ALA  46          2HB       ALA  46   4.270  -8.348  -2.745
  359   3HB   ALA  46          3HB       ALA  46   3.218  -9.176  -1.600
  360    H    GLY  47           H        GLY  47   6.562  -7.257  -2.087
  361   1HA   GLY  47          2HA       GLY  47   8.435  -7.939   0.086
  362   2HA   GLY  47          1HA       GLY  47   8.804  -8.014  -1.635
  363    H    LYS  48           H        LYS  48   7.029  -5.276  -1.409
  364    HA   LYS  48           HA       LYS  48   9.329  -3.606  -0.607
  365   1HB   LYS  48          2HB       LYS  48   7.841  -3.638  -3.169
  366   2HB   LYS  48          1HB       LYS  48   8.181  -2.049  -2.505
  367   1HG   LYS  48          2HG       LYS  48   9.984  -2.410  -3.866
  368   2HG   LYS  48          1HG       LYS  48  10.603  -2.970  -2.308
  369   1HD   LYS  48          2HD       LYS  48  11.192  -4.763  -3.599
  370   2HD   LYS  48          1HD       LYS  48   9.564  -5.259  -3.136
  371   1HE   LYS  48          2HE       LYS  48   8.711  -4.917  -5.222
  372   2HE   LYS  48          1HE       LYS  48   9.836  -3.611  -5.588
  373   1HZ   LYS  48          1HZ       LYS  48  10.260  -6.524  -5.782
  374   2HZ   LYS  48          2HZ       LYS  48  11.579  -5.479  -5.614
  375   3HZ   LYS  48          3HZ       LYS  48  10.545  -5.327  -6.945
  376    H    GLN  49           H        GLN  49   8.684  -2.592   1.182
  377    HA   GLN  49           HA       GLN  49   5.880  -1.952   1.597
  378   1HB   GLN  49          2HB       GLN  49   8.222  -2.383   3.266
  379   2HB   GLN  49          1HB       GLN  49   7.330  -0.947   3.752
  380   1HG   GLN  49          2HG       GLN  49   5.454  -3.014   3.269
  381   2HG   GLN  49          1HG       GLN  49   6.741  -3.668   4.281
  382   1HE2  GLN  49          1HE2      GLN  49   7.456  -1.732   5.907
  383   2HE2  GLN  49          2HE2      GLN  49   6.134  -1.153   6.855
  384    H    LEU  50           H        LEU  50   4.998   0.065   1.539
  385    HA   LEU  50           HA       LEU  50   6.638   2.190   0.451
  386   1HB   LEU  50          2HB       LEU  50   3.815   1.504   0.522
  387   2HB   LEU  50          1HB       LEU  50   4.086   3.203   0.863
  388    HG   LEU  50           HG       LEU  50   3.667   2.692  -1.541
  389   1HD1  LEU  50          1HD1      LEU  50   5.862   4.229  -0.424
  390   2HD1  LEU  50          2HD1      LEU  50   4.697   4.664  -1.669
  391   3HD1  LEU  50          3HD1      LEU  50   6.149   3.761  -2.096
  392   1HD2  LEU  50          1HD2      LEU  50   6.030   0.975  -1.069
  393   2HD2  LEU  50          2HD2      LEU  50   5.939   1.822  -2.612
  394   3HD2  LEU  50          3HD2      LEU  50   4.640   0.732  -2.126
  395    H    GLU  51           H        GLU  51   6.289   4.412   1.242
  396    HA   GLU  51           HA       GLU  51   6.515   4.483   4.173
  397   1HB   GLU  51          2HB       GLU  51   7.695   6.079   1.951
  398   2HB   GLU  51          1HB       GLU  51   7.400   6.899   3.478
  399   1HG   GLU  51          2HG       GLU  51   9.115   4.470   3.026
  400   2HG   GLU  51          1HG       GLU  51   9.657   6.097   3.438
  401    H    ASP  52           H        ASP  52   4.845   5.240   5.276
  402    HA   ASP  52           HA       ASP  52   2.540   6.317   4.110
  403   1HB   ASP  52          2HB       ASP  52   3.439   6.541   6.984
  404   2HB   ASP  52          1HB       ASP  52   1.796   6.770   6.392
  405    H    GLY  53           H        GLY  53   5.447   7.826   5.259
  406   1HA   GLY  53          2HA       GLY  53   4.307  10.492   5.315
  407   2HA   GLY  53          1HA       GLY  53   5.993  10.069   5.572
  408    H    ARG  54           H        ARG  54   4.997   8.528   2.782
  409    HA   ARG  54           HA       ARG  54   6.338  10.552   1.172
  410   1HB   ARG  54          2HB       ARG  54   6.398   7.773   1.176
  411   2HB   ARG  54          1HB       ARG  54   5.470   8.175  -0.261
  412   1HG   ARG  54          2HG       ARG  54   7.273   8.892  -1.359
  413   2HG   ARG  54          1HG       ARG  54   7.872   9.797   0.032
  414   1HD   ARG  54          2HD       ARG  54   9.016   7.961   0.887
  415   2HD   ARG  54          1HD       ARG  54   8.042   6.810  -0.024
  416    HE   ARG  54           HE       ARG  54   9.331   7.250  -1.934
  417   1HH1  ARG  54          1HH1      ARG  54  10.424   9.116   0.815
  418   2HH1  ARG  54          2HH1      ARG  54  11.967   9.463   0.114
  419   1HH2  ARG  54          1HH2      ARG  54  11.350   7.732  -2.854
  420   2HH2  ARG  54          2HH2      ARG  54  12.490   8.686  -1.966
  421    H    THR  55           H        THR  55   5.479  11.033  -1.025
  422    HA   THR  55           HA       THR  55   2.562  11.320  -0.873
  423    HB   THR  55           HB       THR  55   2.817  13.253  -2.376
  424    HG1  THR  55           1HG      THR  55   5.580  13.277  -2.016
  425   1HG2  THR  55          1HG2      THR  55   4.621  14.451  -0.694
  426   2HG2  THR  55          2HG2      THR  55   3.937  13.165   0.298
  427   3HG2  THR  55          3HG2      THR  55   2.876  14.356  -0.453
  428    H    LEU  56           H        LEU  56   1.483  11.542  -3.108
  429    HA   LEU  56           HA       LEU  56   1.887   9.111  -4.471
  430   1HB   LEU  56          2HB       LEU  56  -0.139  10.914  -4.395
  431   2HB   LEU  56          1HB       LEU  56   0.529  11.238  -5.983
  432    HG   LEU  56           HG       LEU  56  -0.017   8.406  -5.228
  433   1HD1  LEU  56          1HD1      LEU  56  -2.187   8.710  -4.930
  434   2HD1  LEU  56          2HD1      LEU  56  -2.289   9.349  -6.565
  435   3HD1  LEU  56          3HD1      LEU  56  -2.021  10.439  -5.213
  436   1HD2  LEU  56          1HD2      LEU  56   0.944   8.482  -7.300
  437   2HD2  LEU  56          2HD2      LEU  56   0.236  10.049  -7.695
  438   3HD2  LEU  56          3HD2      LEU  56  -0.759   8.594  -7.742
  439    H    SER  57           H        SER  57   2.608  12.452  -5.433
  440    HA   SER  57           HA       SER  57   3.741  11.909  -7.914
  441   1HB   SER  57          2HB       SER  57   4.779  14.095  -7.771
  442   2HB   SER  57          1HB       SER  57   3.165  14.180  -7.067
  443    HG   SER  57           HG       SER  57   4.853  15.206  -5.813
  444    H    ASP  58           H        ASP  58   5.089  11.603  -4.711
  445    HA   ASP  58           HA       ASP  58   7.820  11.380  -5.535
  446   1HB   ASP  58          2HB       ASP  58   6.298  11.134  -3.021
  447   2HB   ASP  58          1HB       ASP  58   7.755  10.148  -3.107
  448    H    TYR  59           H        TYR  59   5.142   9.190  -5.287
  449    HA   TYR  59           HA       TYR  59   6.881   6.982  -6.174
  450   1HB   TYR  59          2HB       TYR  59   5.505   7.108  -3.698
  451   2HB   TYR  59          1HB       TYR  59   4.626   5.961  -4.703
  452    HD1  TYR  59           1HD      TYR  59   7.989   6.748  -3.344
  453    HD2  TYR  59           2HD      TYR  59   5.461   3.793  -5.072
  454    HE1  TYR  59           1HE      TYR  59   9.673   5.025  -2.849
  455    HE2  TYR  59           2HE      TYR  59   7.139   2.063  -4.580
  456    HH   TYR  59           HH       TYR  59  10.234   2.626  -3.930
  457    H    ASN  60           H        ASN  60   5.340   8.794  -7.725
  458    HA   ASN  60           HA       ASN  60   2.871   7.575  -8.495
  459   1HB   ASN  60          2HB       ASN  60   3.945  10.086  -8.778
  460   2HB   ASN  60          1HB       ASN  60   4.086   9.437 -10.409
  461   1HD2  ASN  60          1HD2      ASN  60   1.862   7.810 -10.497
  462   2HD2  ASN  60          2HD2      ASN  60   0.440   8.786 -10.430
  463    H    ILE  61           H        ILE  61   3.278   5.534  -9.156
  464    HA   ILE  61           HA       ILE  61   5.268   4.904 -11.151
  465    HB   ILE  61           HB       ILE  61   4.277   2.628 -11.091
  466   1HG1  ILE  61          2HG1      ILE  61   2.674   2.316  -9.054
  467   2HG1  ILE  61          1HG1      ILE  61   2.322   4.024  -9.293
  468   1HG2  ILE  61          1HG2      ILE  61   6.020   3.622  -9.440
  469   2HG2  ILE  61          2HG2      ILE  61   5.301   2.047  -9.104
  470   3HG2  ILE  61          3HG2      ILE  61   4.716   3.482  -8.262
  471   1HD1  ILE  61          1HD1      ILE  61   1.035   3.611 -11.050
  472   2HD1  ILE  61          2HD1      ILE  61   1.076   1.935 -10.519
  473   3HD1  ILE  61          3HD1      ILE  61   2.205   2.492 -11.751
  474    H    GLN  62           H        GLN  62   4.843   4.153 -13.256
  475    HA   GLN  62           HA       GLN  62   3.180   5.639 -14.815
  476   1HB   GLN  62          2HB       GLN  62   4.149   2.833 -15.355
  477   2HB   GLN  62          1HB       GLN  62   3.510   3.930 -16.572
  478   1HG   GLN  62          2HG       GLN  62   5.714   4.329 -16.880
  479   2HG   GLN  62          1HG       GLN  62   5.414   5.502 -15.599
  480   1HE2  GLN  62          1HE2      GLN  62   6.471   2.172 -16.155
  481   2HE2  GLN  62          2HE2      GLN  62   7.538   2.097 -14.797
  482    H    LYS  63           H        LYS  63   1.587   4.536 -16.412
  483    HA   LYS  63           HA       LYS  63  -0.789   3.922 -14.898
  484   1HB   LYS  63          2HB       LYS  63  -0.525   5.304 -17.108
  485   2HB   LYS  63          1HB       LYS  63  -0.640   3.732 -17.887
  486   1HG   LYS  63          2HG       LYS  63  -2.825   3.394 -17.170
  487   2HG   LYS  63          1HG       LYS  63  -2.693   4.607 -15.896
  488   1HD   LYS  63          2HD       LYS  63  -3.681   6.035 -17.292
  489   2HD   LYS  63          1HD       LYS  63  -2.193   6.013 -18.241
  490   1HE   LYS  63          2HE       LYS  63  -3.213   3.890 -19.324
  491   2HE   LYS  63          1HE       LYS  63  -4.735   4.489 -18.665
  492   1HZ   LYS  63          1HZ       LYS  63  -3.036   6.303 -20.232
  493   2HZ   LYS  63          2HZ       LYS  63  -4.717   6.309 -20.033
  494   3HZ   LYS  63          3HZ       LYS  63  -3.990   5.162 -21.042
  495    H    GLU  64           H        GLU  64  -1.937   2.010 -14.850
  496    HA   GLU  64           HA       GLU  64  -2.399  -0.220 -15.055
  497   1HB   GLU  64          2HB       GLU  64  -0.158  -0.291 -17.095
  498   2HB   GLU  64          1HB       GLU  64  -1.282  -1.596 -16.752
  499   1HG   GLU  64          2HG       GLU  64  -3.095  -0.431 -17.679
  500   2HG   GLU  64          1HG       GLU  64  -2.217   1.098 -17.680
  501    H    SER  65           H        SER  65  -1.742  -0.393 -12.928
  502    HA   SER  65           HA       SER  65   0.577  -2.055 -12.504
  503   1HB   SER  65          2HB       SER  65   0.352   0.540 -10.985
  504   2HB   SER  65          1HB       SER  65   1.653  -0.642 -10.884
  505    HG   SER  65           HG       SER  65   1.811  -0.122 -13.291
  506    H    THR  66           H        THR  66  -0.185  -3.627 -11.274
  507    HA   THR  66           HA       THR  66  -2.610  -3.465  -9.834
  508    HB   THR  66           HB       THR  66  -1.752  -5.668  -8.814
  509    HG1  THR  66           1HG      THR  66   0.024  -6.334 -10.531
  510   1HG2  THR  66          1HG2      THR  66  -1.628  -6.574 -11.419
  511   2HG2  THR  66          2HG2      THR  66  -2.601  -5.107 -11.531
  512   3HG2  THR  66          3HG2      THR  66  -3.083  -6.403 -10.436
  513    H    LEU  67           H        LEU  67  -3.059  -3.244  -7.691
  514    HA   LEU  67           HA       LEU  67  -0.808  -2.486  -5.958
  515   1HB   LEU  67          2HB       LEU  67  -3.059  -0.930  -6.749
  516   2HB   LEU  67          1HB       LEU  67  -3.219  -1.277  -5.037
  517    HG   LEU  67           HG       LEU  67  -0.826   0.019  -6.345
  518   1HD1  LEU  67          1HD1      LEU  67  -1.825   1.976  -6.069
  519   2HD1  LEU  67          2HD1      LEU  67  -2.166   1.612  -4.377
  520   3HD1  LEU  67          3HD1      LEU  67  -3.304   1.120  -5.631
  521   1HD2  LEU  67          1HD2      LEU  67   0.299  -0.184  -4.426
  522   2HD2  LEU  67          2HD2      LEU  67  -0.879  -1.425  -4.001
  523   3HD2  LEU  67          3HD2      LEU  67  -1.111   0.235  -3.455
  524    H    HIS  68           H        HIS  68  -0.688  -3.525  -4.006
  525    HA   HIS  68           HA       HIS  68  -3.018  -5.171  -3.249
  526   1HB   HIS  68          2HB       HIS  68  -0.320  -5.960  -3.784
  527   2HB   HIS  68          1HB       HIS  68  -0.658  -6.248  -2.080
  528    HD1  HIS  68           1HD      HIS  68  -1.077  -7.728  -5.349
  529    HD2  HIS  68           2HD      HIS  68  -3.108  -7.872  -1.726
  530    HE1  HIS  68           1HE      HIS  68  -2.530  -9.775  -5.474
  531    HE2  HIS  68           2HE      HIS  68  -3.679  -9.893  -3.235
  532    H    LEU  69           H        LEU  69  -3.882  -4.760  -1.322
  533    HA   LEU  69           HA       LEU  69  -2.240  -3.330   0.665
  534   1HB   LEU  69          2HB       LEU  69  -4.195  -2.095  -0.517
  535   2HB   LEU  69          1HB       LEU  69  -5.226  -3.076   0.510
  536    HG   LEU  69           HG       LEU  69  -3.059  -1.630   1.884
  537   1HD1  LEU  69          1HD1      LEU  69  -3.829   0.504   1.659
  538   2HD1  LEU  69          2HD1      LEU  69  -5.452  -0.010   1.195
  539   3HD1  LEU  69          3HD1      LEU  69  -4.127  -0.114   0.035
  540   1HD2  LEU  69          1HD2      LEU  69  -5.436  -2.938   2.561
  541   2HD2  LEU  69          2HD2      LEU  69  -5.711  -1.227   2.894
  542   3HD2  LEU  69          3HD2      LEU  69  -4.344  -2.061   3.633
  543    H    VAL  70           H        VAL  70  -1.887  -4.470   2.435
  544    HA   VAL  70           HA       VAL  70  -3.822  -6.571   3.159
  545    HB   VAL  70           HB       VAL  70  -0.921  -6.493   3.985
  546   1HG1  VAL  70          1HG1      VAL  70  -1.238  -8.741   4.676
  547   2HG1  VAL  70          2HG1      VAL  70  -2.818  -8.829   3.899
  548   3HG1  VAL  70          3HG1      VAL  70  -2.594  -7.821   5.327
  549   1HG2  VAL  70          1HG2      VAL  70  -2.040  -7.099   1.410
  550   2HG2  VAL  70          2HG2      VAL  70  -1.325  -8.550   2.111
  551   3HG2  VAL  70          3HG2      VAL  70  -0.352  -7.091   1.919
  552    H    LEU  71           H        LEU  71  -4.426  -6.833   5.310
  553    HA   LEU  71           HA       LEU  71  -3.836  -4.533   7.053
  554   1HB   LEU  71          2HB       LEU  71  -6.314  -6.202   6.711
  555   2HB   LEU  71          1HB       LEU  71  -6.060  -5.224   8.143
  556    HG   LEU  71           HG       LEU  71  -5.763  -3.250   6.527
  557   1HD1  LEU  71          1HD1      LEU  71  -5.813  -3.674   4.356
  558   2HD1  LEU  71          2HD1      LEU  71  -7.488  -4.199   4.513
  559   3HD1  LEU  71          3HD1      LEU  71  -6.179  -5.371   4.659
  560   1HD2  LEU  71          1HD2      LEU  71  -8.282  -3.051   6.275
  561   2HD2  LEU  71          2HD2      LEU  71  -7.671  -3.306   7.908
  562   3HD2  LEU  71          3HD2      LEU  71  -8.380  -4.650   7.014
  563    H    ARG  72           H        ARG  72  -1.937  -5.729   7.759
  564    HA   ARG  72           HA       ARG  72  -2.263  -8.190   9.211
  565   1HB   ARG  72          2HB       ARG  72   0.045  -6.266   8.914
  566   2HB   ARG  72          1HB       ARG  72   0.135  -7.722   9.894
  567   1HG   ARG  72          2HG       ARG  72  -0.491  -9.010   7.820
  568   2HG   ARG  72          1HG       ARG  72  -0.230  -7.512   6.923
  569   1HD   ARG  72          2HD       ARG  72   2.056  -7.406   7.690
  570   2HD   ARG  72          1HD       ARG  72   1.813  -8.827   8.701
  571    HE   ARG  72           HE       ARG  72   1.586  -8.957   5.766
  572   1HH1  ARG  72          1HH1      ARG  72   2.941 -10.143   8.772
  573   2HH1  ARG  72          2HH1      ARG  72   3.733 -11.483   8.019
  574   1HH2  ARG  72          1HH2      ARG  72   2.635 -10.726   4.796
  575   2HH2  ARG  72          2HH2      ARG  72   3.568 -11.813   5.770
  576    H    LEU  73           H        LEU  73  -2.050  -8.477  11.478
  577    HA   LEU  73           HA       LEU  73  -2.976  -6.181  13.017
  578   1HB   LEU  73          2HB       LEU  73  -2.670  -9.087  13.775
  579   2HB   LEU  73          1HB       LEU  73  -3.361  -7.845  14.801
  580    HG   LEU  73           HG       LEU  73  -4.759  -7.817  12.312
  581   1HD1  LEU  73          1HD1      LEU  73  -3.763 -10.262  12.458
  582   2HD1  LEU  73          2HD1      LEU  73  -5.411  -9.962  11.904
  583   3HD1  LEU  73          3HD1      LEU  73  -5.119 -10.485  13.563
  584   1HD2  LEU  73          1HD2      LEU  73  -5.421  -8.453  15.167
  585   2HD2  LEU  73          2HD2      LEU  73  -6.635  -8.557  13.891
  586   3HD2  LEU  73          3HD2      LEU  73  -5.835  -7.021  14.224
  587    H    ARG  74           H        ARG  74  -1.864  -5.273  14.703
  588    HA   ARG  74           HA       ARG  74   0.721  -6.392  15.443
  589   1HB   ARG  74          2HB       ARG  74   0.954  -4.697  13.533
  590   2HB   ARG  74          1HB       ARG  74   0.509  -3.479  14.722
  591   1HG   ARG  74          2HG       ARG  74   2.877  -3.514  14.575
  592   2HG   ARG  74          1HG       ARG  74   2.433  -4.252  16.114
  593   1HD   ARG  74          2HD       ARG  74   2.480  -6.426  14.505
  594   2HD   ARG  74          1HD       ARG  74   3.718  -5.429  13.748
  595    HE   ARG  74           HE       ARG  74   3.820  -5.981  16.632
  596   1HH1  ARG  74          1HH1      ARG  74   5.265  -6.227  13.455
  597   2HH1  ARG  74          2HH1      ARG  74   6.792  -6.771  14.061
  598   1HH2  ARG  74          1HH2      ARG  74   5.828  -6.697  17.416
  599   2HH2  ARG  74          2HH2      ARG  74   7.113  -7.038  16.305
  600    H    GLY  75           H        GLY  75  -2.055  -5.695  16.602
  601   1HA   GLY  75          2HA       GLY  75  -1.043  -4.206  18.943
  602   2HA   GLY  75          1HA       GLY  75  -2.708  -4.129  18.385
  603    H    GLY  76           H        GLY  76  -1.414  -7.247  18.124
  604   1HA   GLY  76          2HA       GLY  76  -2.195  -8.032  20.827
  605   2HA   GLY  76          1HA       GLY  76  -3.173  -8.662  19.514
  606    H    HIS  77           H        HIS  77  -0.425  -9.158  21.421
  607    HA   HIS  77           HA       HIS  77   1.096 -10.716  19.573
  608   1HB   HIS  77          2HB       HIS  77   1.166 -10.556  22.594
  609   2HB   HIS  77          1HB       HIS  77   2.322 -11.460  21.622
  610    HD1  HIS  77           1HD      HIS  77   1.143  -7.884  22.094
  611    HD2  HIS  77           2HD      HIS  77   4.453 -10.025  20.780
  612    HE1  HIS  77           1HE      HIS  77   2.941  -6.169  21.699
  613    HE2  HIS  77           2HE      HIS  77   4.966  -7.503  21.016
  614    H    HIS  78           H        HIS  78  -0.602 -11.705  22.544
  615    HA   HIS  78           HA       HIS  78  -2.024 -13.821  21.301
  616   1HB   HIS  78          2HB       HIS  78  -0.857 -15.707  22.419
  617   2HB   HIS  78          1HB       HIS  78   0.142 -14.907  21.211
  618    HD1  HIS  78           1HD      HIS  78   1.669 -12.860  22.477
  619    HD2  HIS  78           2HD      HIS  78   0.580 -16.236  24.626
  620    HE1  HIS  78           1HE      HIS  78   3.285 -12.976  24.399
  621    HE2  HIS  78           2HE      HIS  78   2.549 -14.979  25.738
  622    H    HIS  79           H        HIS  79  -3.577 -14.685  22.651
  623    HA   HIS  79           HA       HIS  79  -4.085 -13.203  25.064
  624   1HB   HIS  79          2HB       HIS  79  -5.645 -14.621  23.177
  625   2HB   HIS  79          1HB       HIS  79  -5.885 -15.420  24.728
  626    HD1  HIS  79           1HD      HIS  79  -7.686 -13.233  22.893
  627    HD2  HIS  79           2HD      HIS  79  -6.066 -12.878  26.701
  628    HE1  HIS  79           1HE      HIS  79  -9.037 -11.443  24.034
  629    HE2  HIS  79           2HE      HIS  79  -7.967 -11.174  26.300
  630    H    HIS  80           H        HIS  80  -3.171 -13.709  26.921
  631    HA   HIS  80           HA       HIS  80  -2.032 -16.287  27.422
  632   1HB   HIS  80          2HB       HIS  80  -1.682 -13.703  28.438
  633   2HB   HIS  80          1HB       HIS  80  -2.316 -14.635  29.790
  634    HD1  HIS  80           1HD      HIS  80  -0.085 -16.239  27.250
  635    HD2  HIS  80           2HD      HIS  80   0.153 -14.670  31.089
  636    HE1  HIS  80           1HE      HIS  80   2.154 -16.960  28.132
  637    HE2  HIS  80           2HE      HIS  80   2.237 -16.082  30.492
  638    H    HIS  81           H        HIS  81  -3.182 -18.000  28.001
  639    HA   HIS  81           HA       HIS  81  -5.691 -17.620  29.498
  640   1HB   HIS  81          2HB       HIS  81  -5.803 -18.884  27.362
  641   2HB   HIS  81          1HB       HIS  81  -4.695 -20.077  28.034
  642    HD1  HIS  81           1HD      HIS  81  -7.592 -18.578  29.942
  643    HD2  HIS  81           2HD      HIS  81  -6.462 -22.170  28.184
  644    HE1  HIS  81           1HE      HIS  81  -9.320 -20.255  30.667
  645    HE2  HIS  81           2HE      HIS  81  -8.650 -22.407  29.542
  646    H    HIS  82           H        HIS  82  -5.765 -18.138  31.584
  647    HA   HIS  82           HA       HIS  82  -3.473 -19.263  32.905
  648   1HB   HIS  82          2HB       HIS  82  -5.122 -17.456  33.784
  649   2HB   HIS  82          1HB       HIS  82  -6.138 -18.824  34.225
  650    HD1  HIS  82           1HD      HIS  82  -2.516 -17.779  34.779
  651    HD2  HIS  82           2HD      HIS  82  -5.655 -19.664  36.743
  652    HE1  HIS  82           1HE      HIS  82  -1.658 -18.282  37.089
  653    HE2  HIS  82           2HE      HIS  82  -3.544 -19.500  38.229
  Start of MODEL   17
    1   1H    MET   1          1HT       MET   1  -7.410   8.779 -16.019
    2   2H    MET   1          2HT       MET   1  -8.145   7.364 -16.648
    3   3H    MET   1          3HT       MET   1  -6.656   7.920 -17.296
    4    HA   MET   1           HA       MET   1  -5.693   6.508 -15.965
    5   1HB   MET   1          2HB       MET   1  -6.176   8.939 -14.572
    6   2HB   MET   1          1HB       MET   1  -6.348   7.635 -13.409
    7   1HG   MET   1          2HG       MET   1  -4.159   7.523 -13.220
    8   2HG   MET   1          1HG       MET   1  -4.035   7.078 -14.921
    9   1HE   MET   1          1HE       MET   1  -1.522   9.555 -15.765
   10   2HE   MET   1          2HE       MET   1  -2.799   8.846 -16.753
   11   3HE   MET   1          3HE       MET   1  -2.000   7.875 -15.515
   12    H    GLN   2           H        GLN   2  -5.979   4.576 -15.009
   13    HA   GLN   2           HA       GLN   2  -8.222   4.033 -13.291
   14   1HB   GLN   2          2HB       GLN   2  -8.645   3.722 -16.010
   15   2HB   GLN   2          1HB       GLN   2  -8.241   2.097 -15.477
   16   1HG   GLN   2          2HG       GLN   2 -10.098   1.909 -14.160
   17   2HG   GLN   2          1HG       GLN   2 -10.250   3.649 -13.928
   18   1HE2  GLN   2          1HE2      GLN   2 -11.630   4.748 -15.185
   19   2HE2  GLN   2          2HE2      GLN   2 -12.479   4.091 -16.538
   20    H    ILE   3           H        ILE   3  -7.458   2.796 -11.762
   21    HA   ILE   3           HA       ILE   3  -5.403   0.782 -12.418
   22    HB   ILE   3           HB       ILE   3  -4.573   1.054 -10.077
   23   1HG1  ILE   3          2HG1      ILE   3  -5.828   3.756  -9.964
   24   2HG1  ILE   3          1HG1      ILE   3  -6.837   2.373  -9.541
   25   1HG2  ILE   3          1HG2      ILE   3  -4.305   2.961 -12.287
   26   2HG2  ILE   3          2HG2      ILE   3  -3.072   2.069 -11.395
   27   3HG2  ILE   3          3HG2      ILE   3  -3.746   3.554 -10.722
   28   1HD1  ILE   3          1HD1      ILE   3  -5.256   1.717  -7.830
   29   2HD1  ILE   3          2HD1      ILE   3  -5.776   3.384  -7.583
   30   3HD1  ILE   3          3HD1      ILE   3  -4.192   3.047  -8.281
   31    H    PHE   4           H        PHE   4  -5.317  -1.063 -10.934
   32    HA   PHE   4           HA       PHE   4  -7.978  -1.749  -9.853
   33   1HB   PHE   4          2HB       PHE   4  -5.917  -3.640 -11.027
   34   2HB   PHE   4          1HB       PHE   4  -7.493  -4.097 -10.392
   35    HD1  PHE   4           1HD      PHE   4  -5.666  -3.146 -13.274
   36    HD2  PHE   4           2HD      PHE   4  -9.551  -3.053 -11.541
   37    HE1  PHE   4           1HE      PHE   4  -6.648  -2.813 -15.505
   38    HE2  PHE   4           2HE      PHE   4 -10.540  -2.723 -13.769
   39    HZ   PHE   4           HZ       PHE   4  -9.089  -2.602 -15.755
   40    H    VAL   5           H        VAL   5  -8.042  -2.577  -7.749
   41    HA   VAL   5           HA       VAL   5  -5.460  -3.092  -6.460
   42    HB   VAL   5           HB       VAL   5  -7.583  -1.365  -5.185
   43   1HG1  VAL   5          1HG1      VAL   5  -5.138  -2.652  -4.248
   44   2HG1  VAL   5          2HG1      VAL   5  -6.497  -1.990  -3.338
   45   3HG1  VAL   5          3HG1      VAL   5  -5.204  -0.924  -3.891
   46   1HG2  VAL   5          1HG2      VAL   5  -6.463   0.551  -5.772
   47   2HG2  VAL   5          2HG2      VAL   5  -6.208  -0.425  -7.217
   48   3HG2  VAL   5          3HG2      VAL   5  -4.929  -0.284  -6.011
   49    H    LYS   6           H        LYS   6  -5.468  -4.852  -5.269
   50    HA   LYS   6           HA       LYS   6  -7.994  -6.174  -4.709
   51   1HB   LYS   6          2HB       LYS   6  -6.554  -8.107  -4.018
   52   2HB   LYS   6          1HB       LYS   6  -6.343  -7.612  -5.689
   53   1HG   LYS   6          2HG       LYS   6  -4.390  -6.169  -4.593
   54   2HG   LYS   6          1HG       LYS   6  -4.461  -7.482  -3.419
   55   1HD   LYS   6          2HD       LYS   6  -4.064  -9.117  -5.104
   56   2HD   LYS   6          1HD       LYS   6  -4.268  -7.928  -6.390
   57   1HE   LYS   6          2HE       LYS   6  -2.175  -7.113  -6.150
   58   2HE   LYS   6          1HE       LYS   6  -2.182  -7.323  -4.399
   59   1HZ   LYS   6          1HZ       LYS   6  -0.717  -8.822  -5.976
   60   2HZ   LYS   6          2HZ       LYS   6  -2.141  -9.734  -6.043
   61   3HZ   LYS   6          3HZ       LYS   6  -1.400  -9.435  -4.554
   62    H    THR   7           H        THR   7  -8.904  -6.286  -2.805
   63    HA   THR   7           HA       THR   7  -7.650  -4.924  -0.561
   64    HB   THR   7           HB       THR   7 -10.362  -6.118  -0.310
   65    HG1  THR   7           1HG      THR   7 -10.646  -3.780  -1.543
   66   1HG2  THR   7          1HG2      THR   7  -9.943  -3.256   0.161
   67   2HG2  THR   7          2HG2      THR   7  -8.999  -4.328   1.192
   68   3HG2  THR   7          3HG2      THR   7 -10.756  -4.468   1.151
   69    H    LEU   8           H        LEU   8  -8.573  -6.073   1.671
   70    HA   LEU   8           HA       LEU   8  -6.986  -8.456   1.841
   71   1HB   LEU   8          2HB       LEU   8  -7.030  -6.809   3.652
   72   2HB   LEU   8          1HB       LEU   8  -8.738  -7.118   3.905
   73    HG   LEU   8           HG       LEU   8  -7.600  -9.630   4.136
   74   1HD1  LEU   8          1HD1      LEU   8  -5.597  -9.572   5.154
   75   2HD1  LEU   8          2HD1      LEU   8  -5.920  -8.030   5.953
   76   3HD1  LEU   8          3HD1      LEU   8  -5.435  -8.061   4.255
   77   1HD2  LEU   8          1HD2      LEU   8  -8.075  -7.753   6.435
   78   2HD2  LEU   8          2HD2      LEU   8  -8.255  -9.507   6.404
   79   3HD2  LEU   8          3HD2      LEU   8  -9.387  -8.488   5.512
   80    H    THR   9           H        THR   9 -10.286  -7.797   1.231
   81    HA   THR   9           HA       THR   9 -11.197 -10.416   2.117
   82    HB   THR   9           HB       THR   9 -13.375  -9.534   0.909
   83    HG1  THR   9           1HG      THR   9 -11.932  -7.141   1.406
   84   1HG2  THR   9          1HG2      THR   9 -12.601  -9.604   3.507
   85   2HG2  THR   9          2HG2      THR   9 -14.190  -9.097   2.933
   86   3HG2  THR   9          3HG2      THR   9 -12.953  -7.890   3.285
   87    H    GLY  10           H        GLY  10  -9.774  -9.095  -0.644
   88   1HA   GLY  10          2HA       GLY  10  -9.112 -10.509  -2.449
   89   2HA   GLY  10          1HA       GLY  10 -10.562 -11.466  -2.184
   90    H    ALA  11           H        ALA  11 -11.829  -8.617  -1.868
   91    HA   ALA  11           HA       ALA  11 -12.849  -8.547  -4.551
   92   1HB   ALA  11          1HB       ALA  11 -14.521  -8.107  -3.059
   93   2HB   ALA  11          2HB       ALA  11 -14.074  -6.468  -3.534
   94   3HB   ALA  11          3HB       ALA  11 -13.485  -7.138  -2.012
   95    H    THR  12           H        THR  12 -11.824  -7.571  -6.172
   96    HA   THR  12           HA       THR  12  -9.961  -5.416  -5.726
   97    HB   THR  12           HB       THR  12 -10.971  -6.543  -8.346
   98    HG1  THR  12           1HG      THR  12  -9.133  -7.854  -8.268
   99   1HG2  THR  12          1HG2      THR  12  -9.185  -4.410  -7.779
  100   2HG2  THR  12          2HG2      THR  12  -9.661  -5.080  -9.341
  101   3HG2  THR  12          3HG2      THR  12  -8.274  -5.748  -8.480
  102    H    ILE  13           H        ILE  13 -10.330  -3.266  -6.048
  103    HA   ILE  13           HA       ILE  13 -13.006  -2.518  -7.045
  104    HB   ILE  13           HB       ILE  13 -12.692  -0.458  -5.552
  105   1HG1  ILE  13          2HG1      ILE  13 -10.911  -2.281  -3.953
  106   2HG1  ILE  13          1HG1      ILE  13 -10.230  -1.164  -5.132
  107   1HG2  ILE  13          1HG2      ILE  13 -13.136  -2.307  -3.517
  108   2HG2  ILE  13          2HG2      ILE  13 -13.638  -3.128  -4.996
  109   3HG2  ILE  13          3HG2      ILE  13 -14.346  -1.569  -4.569
  110   1HD1  ILE  13          1HD1      ILE  13 -12.013  -0.329  -2.865
  111   2HD1  ILE  13          2HD1      ILE  13 -11.106   0.714  -3.960
  112   3HD1  ILE  13          3HD1      ILE  13 -10.250  -0.312  -2.809
  113    H    THR  14           H        THR  14 -13.210  -0.516  -8.103
  114    HA   THR  14           HA       THR  14 -10.792   0.280  -9.558
  115    HB   THR  14           HB       THR  14 -12.429   1.420 -11.099
  116    HG1  THR  14           1HG      THR  14 -14.121   0.876  -9.137
  117   1HG2  THR  14          1HG2      THR  14 -13.603  -1.111 -11.405
  118   2HG2  THR  14          2HG2      THR  14 -11.954  -1.378 -10.836
  119   3HG2  THR  14          3HG2      THR  14 -12.242  -0.425 -12.292
  120    H    LEU  15           H        LEU  15  -9.774   2.124  -9.017
  121    HA   LEU  15           HA       LEU  15 -11.365   4.322  -7.916
  122   1HB   LEU  15          2HB       LEU  15  -8.731   3.573  -6.691
  123   2HB   LEU  15          1HB       LEU  15  -9.946   4.673  -6.069
  124    HG   LEU  15           HG       LEU  15 -11.310   2.277  -6.187
  125   1HD1  LEU  15          1HD1      LEU  15  -8.526   1.662  -6.236
  126   2HD1  LEU  15          2HD1      LEU  15  -9.904   0.563  -6.156
  127   3HD1  LEU  15          3HD1      LEU  15  -9.186   1.190  -4.671
  128   1HD2  LEU  15          1HD2      LEU  15 -10.744   4.179  -4.327
  129   2HD2  LEU  15          2HD2      LEU  15  -9.907   2.778  -3.660
  130   3HD2  LEU  15          3HD2      LEU  15 -11.635   2.692  -4.002
  131    H    GLU  16           H        GLU  16 -10.181   6.355  -7.792
  132    HA   GLU  16           HA       GLU  16  -8.238   6.632  -9.988
  133   1HB   GLU  16          2HB       GLU  16 -10.732   7.947  -9.557
  134   2HB   GLU  16          1HB       GLU  16  -9.455   9.142  -9.365
  135   1HG   GLU  16          2HG       GLU  16  -8.759   7.702 -11.640
  136   2HG   GLU  16          1HG       GLU  16 -10.505   7.937 -11.756
  137    H    VAL  17           H        VAL  17  -6.276   7.573  -9.494
  138    HA   VAL  17           HA       VAL  17  -5.962   8.456  -6.712
  139    HB   VAL  17           HB       VAL  17  -3.514   8.108  -7.128
  140   1HG1  VAL  17          1HG1      VAL  17  -5.485   6.273  -6.519
  141   2HG1  VAL  17          2HG1      VAL  17  -3.750   6.050  -6.298
  142   3HG1  VAL  17          3HG1      VAL  17  -4.536   5.461  -7.764
  143   1HG2  VAL  17          1HG2      VAL  17  -4.182   6.487  -9.529
  144   2HG2  VAL  17          2HG2      VAL  17  -2.674   7.291  -9.088
  145   3HG2  VAL  17          3HG2      VAL  17  -4.024   8.235  -9.719
  146    H    GLU  18           H        GLU  18  -4.708  10.294  -6.196
  147    HA   GLU  18           HA       GLU  18  -4.442  12.271  -8.365
  148   1HB   GLU  18          2HB       GLU  18  -6.348  12.734  -6.825
  149   2HB   GLU  18          1HB       GLU  18  -5.199  12.849  -5.498
  150   1HG   GLU  18          2HG       GLU  18  -4.138  14.747  -6.544
  151   2HG   GLU  18          1HG       GLU  18  -5.195  14.603  -7.944
  152    H    SER  19           H        SER  19  -2.711  13.789  -8.168
  153    HA   SER  19           HA       SER  19  -0.307  12.663  -7.190
  154   1HB   SER  19          2HB       SER  19   0.417  15.223  -7.518
  155   2HB   SER  19          1HB       SER  19   0.168  14.136  -8.885
  156    HG   SER  19           HG       SER  19  -1.232  15.579  -9.494
  157    H    SER  20           H        SER  20  -2.606  14.936  -5.906
  158    HA   SER  20           HA       SER  20  -0.994  15.652  -3.625
  159   1HB   SER  20          2HB       SER  20  -3.288  16.687  -4.923
  160   2HB   SER  20          1HB       SER  20  -3.762  16.318  -3.266
  161    HG   SER  20           HG       SER  20  -2.924  18.336  -3.193
  162    H    ASP  21           H        ASP  21  -2.239  12.796  -4.252
  163    HA   ASP  21           HA       ASP  21  -3.713  12.328  -1.803
  164   1HB   ASP  21          2HB       ASP  21  -3.587  11.067  -4.317
  165   2HB   ASP  21          1HB       ASP  21  -2.946   9.899  -3.167
  166    H    THR  22           H        THR  22  -2.642  12.098   0.055
  167    HA   THR  22           HA       THR  22  -0.007  10.786   0.004
  168    HB   THR  22           HB       THR  22  -0.886  12.371   2.368
  169    HG1  THR  22           1HG      THR  22   0.221  13.647   0.108
  170   1HG2  THR  22          1HG2      THR  22   1.703  11.806   0.991
  171   2HG2  THR  22          2HG2      THR  22   1.240  11.509   2.667
  172   3HG2  THR  22          3HG2      THR  22   1.543  13.157   2.113
  173    H    ILE  23           H        ILE  23   0.517   9.518   1.983
  174    HA   ILE  23           HA       ILE  23  -1.350   7.493   2.414
  175    HB   ILE  23           HB       ILE  23   0.862   8.212   4.334
  176   1HG1  ILE  23          2HG1      ILE  23   1.719   8.123   2.013
  177   2HG1  ILE  23          1HG1      ILE  23   2.331   6.796   2.989
  178   1HG2  ILE  23          1HG2      ILE  23   0.875   5.636   4.490
  179   2HG2  ILE  23          2HG2      ILE  23  -0.733   5.744   3.777
  180   3HG2  ILE  23          3HG2      ILE  23  -0.400   6.530   5.319
  181   1HD1  ILE  23          1HD1      ILE  23   0.849   6.724   0.543
  182   2HD1  ILE  23          2HD1      ILE  23  -0.004   5.833   1.805
  183   3HD1  ILE  23          3HD1      ILE  23   1.663   5.417   1.403
  184    H    ASP  24           H        ASP  24  -1.054  10.592   3.894
  185    HA   ASP  24           HA       ASP  24  -2.562   9.907   6.266
  186   1HB   ASP  24          2HB       ASP  24  -0.825  11.932   5.694
  187   2HB   ASP  24          1HB       ASP  24  -2.372  12.747   5.483
  188    H    ASN  25           H        ASN  25  -3.093  11.694   3.261
  189    HA   ASN  25           HA       ASN  25  -5.737  12.483   3.685
  190   1HB   ASN  25          2HB       ASN  25  -3.933  12.255   1.403
  191   2HB   ASN  25          1HB       ASN  25  -5.610  11.957   0.960
  192   1HD2  ASN  25          1HD2      ASN  25  -7.104  13.616   2.256
  193   2HD2  ASN  25          2HD2      ASN  25  -6.640  15.264   2.028
  194    H    VAL  26           H        VAL  26  -4.481   9.534   2.128
  195    HA   VAL  26           HA       VAL  26  -6.925   8.356   1.496
  196    HB   VAL  26           HB       VAL  26  -5.711   6.160   1.639
  197   1HG1  VAL  26          1HG1      VAL  26  -5.676   7.950  -0.291
  198   2HG1  VAL  26          2HG1      VAL  26  -4.693   6.489  -0.380
  199   3HG1  VAL  26          3HG1      VAL  26  -3.960   8.018   0.111
  200   1HG2  VAL  26          1HG2      VAL  26  -3.101   6.660   1.804
  201   2HG2  VAL  26          2HG2      VAL  26  -4.074   6.233   3.213
  202   3HG2  VAL  26          3HG2      VAL  26  -3.683   7.922   2.890
  203    H    LYS  27           H        LYS  27  -4.932   7.998   4.425
  204    HA   LYS  27           HA       LYS  27  -6.612   6.219   5.775
  205   1HB   LYS  27          2HB       LYS  27  -4.270   7.769   6.383
  206   2HB   LYS  27          1HB       LYS  27  -5.402   7.866   7.730
  207   1HG   LYS  27          2HG       LYS  27  -4.988   5.762   8.352
  208   2HG   LYS  27          1HG       LYS  27  -5.143   5.165   6.699
  209   1HD   LYS  27          2HD       LYS  27  -2.933   5.010   6.479
  210   2HD   LYS  27          1HD       LYS  27  -2.712   6.683   6.988
  211   1HE   LYS  27          2HE       LYS  27  -3.341   4.816   9.167
  212   2HE   LYS  27          1HE       LYS  27  -1.813   4.500   8.351
  213   1HZ   LYS  27          1HZ       LYS  27  -2.389   6.478  10.243
  214   2HZ   LYS  27          2HZ       LYS  27  -2.006   7.251   8.788
  215   3HZ   LYS  27          3HZ       LYS  27  -0.916   6.154   9.477
  216    H    SER  28           H        SER  28  -6.499   9.773   5.956
  217    HA   SER  28           HA       SER  28  -8.511  10.089   7.863
  218   1HB   SER  28          2HB       SER  28  -6.921  11.853   6.932
  219   2HB   SER  28          1HB       SER  28  -8.056  12.014   5.593
  220    HG   SER  28           HG       SER  28  -8.352  12.709   8.283
  221    H    LYS  29           H        LYS  29  -8.722   9.692   4.363
  222    HA   LYS  29           HA       LYS  29 -11.506  10.313   4.231
  223   1HB   LYS  29          2HB       LYS  29  -9.837  10.477   2.322
  224   2HB   LYS  29          1HB       LYS  29  -9.968   8.729   2.181
  225   1HG   LYS  29          2HG       LYS  29 -12.366   8.940   1.764
  226   2HG   LYS  29          1HG       LYS  29 -12.232  10.695   1.892
  227   1HD   LYS  29          2HD       LYS  29 -10.503  10.521   0.014
  228   2HD   LYS  29          1HD       LYS  29 -11.094   8.874  -0.212
  229   1HE   LYS  29          2HE       LYS  29 -13.075  11.090  -0.098
  230   2HE   LYS  29          1HE       LYS  29 -12.114  10.896  -1.563
  231   1HZ   LYS  29          1HZ       LYS  29 -12.887   8.390  -1.149
  232   2HZ   LYS  29          2HZ       LYS  29 -13.762   9.486  -2.097
  233   3HZ   LYS  29          3HZ       LYS  29 -14.213   9.208  -0.490
  234    H    ILE  30           H        ILE  30  -9.959   7.602   5.444
  235    HA   ILE  30           HA       ILE  30 -12.033   5.729   4.611
  236    HB   ILE  30           HB       ILE  30  -9.885   5.262   6.683
  237   1HG1  ILE  30          2HG1      ILE  30  -9.722   4.379   3.814
  238   2HG1  ILE  30          1HG1      ILE  30  -9.084   5.935   4.334
  239   1HG2  ILE  30          1HG2      ILE  30 -10.808   3.021   5.059
  240   2HG2  ILE  30          2HG2      ILE  30 -12.092   3.750   6.025
  241   3HG2  ILE  30          3HG2      ILE  30 -10.629   3.151   6.808
  242   1HD1  ILE  30          1HD1      ILE  30  -7.277   4.391   4.314
  243   2HD1  ILE  30          2HD1      ILE  30  -8.209   3.203   5.233
  244   3HD1  ILE  30          3HD1      ILE  30  -7.683   4.699   6.007
  245    H    GLN  31           H        GLN  31 -12.634   8.197   6.209
  246    HA   GLN  31           HA       GLN  31 -13.632   6.935   8.679
  247   1HB   GLN  31          2HB       GLN  31 -13.171   9.833   7.963
  248   2HB   GLN  31          1HB       GLN  31 -13.993   9.313   9.428
  249   1HG   GLN  31          2HG       GLN  31 -11.488   7.936   9.178
  250   2HG   GLN  31          1HG       GLN  31 -11.244   9.674   9.030
  251   1HE2  GLN  31          1HE2      GLN  31 -11.951   7.079  11.145
  252   2HE2  GLN  31          2HE2      GLN  31 -12.099   8.007  12.596
  253    H    ALA  32           H        ALA  32 -15.143   6.037   6.811
  254    HA   ALA  32           HA       ALA  32 -17.466   7.839   6.607
  255   1HB   ALA  32          1HB       ALA  32 -18.083   6.808   4.590
  256   2HB   ALA  32          2HB       ALA  32 -17.003   5.440   4.855
  257   3HB   ALA  32          3HB       ALA  32 -16.338   7.027   4.472
  258    H    ALA  33           H        ALA  33 -16.962   4.315   6.453
  259    HA   ALA  33           HA       ALA  33 -19.360   3.922   8.068
  260   1HB   ALA  33          1HB       ALA  33 -18.811   1.456   7.515
  261   2HB   ALA  33          2HB       ALA  33 -17.690   2.141   6.339
  262   3HB   ALA  33          3HB       ALA  33 -19.411   2.508   6.233
  263    HA   PRO  34           HA       PRO  34 -16.796   3.321  11.689
  264   1HB   PRO  34          2HB       PRO  34 -19.190   2.252  12.990
  265   2HB   PRO  34          1HB       PRO  34 -18.289   3.726  13.350
  266   1HG   PRO  34          2HG       PRO  34 -20.763   3.764  12.259
  267   2HG   PRO  34          1HG       PRO  34 -19.543   5.005  11.911
  268   1HD   PRO  34          2HD       PRO  34 -20.380   2.648  10.264
  269   2HD   PRO  34          1HD       PRO  34 -20.015   4.310   9.752
  270    H    GLY  35           H        GLY  35 -16.017   1.577  12.994
  271   1HA   GLY  35          2HA       GLY  35 -16.457  -0.847  13.551
  272   2HA   GLY  35          1HA       GLY  35 -16.599  -1.067  11.814
  273    H    ILE  36           H        ILE  36 -14.777  -1.113  10.544
  274    HA   ILE  36           HA       ILE  36 -12.408  -2.037  11.774
  275    HB   ILE  36           HB       ILE  36 -11.434  -2.026   9.518
  276   1HG1  ILE  36          2HG1      ILE  36 -14.051  -0.753   8.687
  277   2HG1  ILE  36          1HG1      ILE  36 -12.489   0.063   8.723
  278   1HG2  ILE  36          1HG2      ILE  36 -12.459  -3.974   9.251
  279   2HG2  ILE  36          2HG2      ILE  36 -13.919  -3.159   8.696
  280   3HG2  ILE  36          3HG2      ILE  36 -13.685  -3.476  10.414
  281   1HD1  ILE  36          1HD1      ILE  36 -13.570  -1.901   6.798
  282   2HD1  ILE  36          2HD1      ILE  36 -11.843  -1.980   7.151
  283   3HD1  ILE  36          3HD1      ILE  36 -12.550  -0.488   6.531
  284    HA   PRO  37           HA       PRO  37 -10.334   1.818  12.434
  285   1HB   PRO  37          2HB       PRO  37  -7.778   0.459  12.527
  286   2HB   PRO  37          1HB       PRO  37  -8.725   1.123  13.859
  287   1HG   PRO  37          2HG       PRO  37  -8.320  -1.553  13.473
  288   2HG   PRO  37          1HG       PRO  37  -9.728  -0.877  14.310
  289   1HD   PRO  37          2HD       PRO  37  -9.490  -1.869  11.492
  290   2HD   PRO  37          1HD       PRO  37 -10.818  -2.076  12.655
  291    HA   PRO  38           HA       PRO  38  -9.157   2.610   8.130
  292   1HB   PRO  38          2HB       PRO  38  -8.662   5.282   8.555
  293   2HB   PRO  38          1HB       PRO  38 -10.259   4.595   8.216
  294   1HG   PRO  38          2HG       PRO  38  -9.019   5.309  10.851
  295   2HG   PRO  38          1HG       PRO  38 -10.658   5.642  10.252
  296   1HD   PRO  38          2HD       PRO  38 -10.215   3.631  11.932
  297   2HD   PRO  38          1HD       PRO  38 -11.357   3.440  10.583
  298    H    ASP  39           H        ASP  39  -7.358   3.353  11.015
  299    HA   ASP  39           HA       ASP  39  -4.916   4.005   9.671
  300   1HB   ASP  39          2HB       ASP  39  -5.833   3.756  12.483
  301   2HB   ASP  39          1HB       ASP  39  -4.114   3.505  12.190
  302    H    GLN  40           H        GLN  40  -6.538   1.158  10.085
  303    HA   GLN  40           HA       GLN  40  -4.127  -0.454  10.427
  304   1HB   GLN  40          2HB       GLN  40  -6.507  -0.824  11.566
  305   2HB   GLN  40          1HB       GLN  40  -6.808  -1.706  10.075
  306   1HG   GLN  40          2HG       GLN  40  -4.874  -3.124  10.513
  307   2HG   GLN  40          1HG       GLN  40  -4.547  -2.226  11.995
  308   1HE2  GLN  40          1HE2      GLN  40  -4.770  -4.800  12.339
  309   2HE2  GLN  40          2HE2      GLN  40  -6.290  -5.246  13.028
  310    H    GLN  41           H        GLN  41  -5.105   1.131   7.953
  311    HA   GLN  41           HA       GLN  41  -4.896  -1.144   6.092
  312   1HB   GLN  41          2HB       GLN  41  -6.358   1.474   5.727
  313   2HB   GLN  41          1HB       GLN  41  -6.088   0.314   4.432
  314   1HG   GLN  41          2HG       GLN  41  -7.298  -1.373   5.882
  315   2HG   GLN  41          1HG       GLN  41  -7.764  -0.018   6.905
  316   1HE2  GLN  41          1HE2      GLN  41  -9.396   1.280   6.285
  317   2HE2  GLN  41          2HE2      GLN  41 -10.306   1.076   4.831
  318    H    GLU  42           H        GLU  42  -3.261  -1.166   4.708
  319    HA   GLU  42           HA       GLU  42  -1.903   1.272   3.928
  320   1HB   GLU  42          2HB       GLU  42  -0.887  -0.393   6.030
  321   2HB   GLU  42          1HB       GLU  42   0.210  -0.467   4.656
  322   1HG   GLU  42          2HG       GLU  42   1.031   1.521   5.156
  323   2HG   GLU  42          1HG       GLU  42  -0.578   2.241   5.079
  324    H    LEU  43           H        LEU  43  -0.430   0.971   2.122
  325    HA   LEU  43           HA       LEU  43  -1.072  -1.435   0.573
  326   1HB   LEU  43          2HB       LEU  43  -0.040   1.288  -0.197
  327   2HB   LEU  43          1HB       LEU  43   0.024  -0.071  -1.305
  328    HG   LEU  43           HG       LEU  43  -2.556  -0.224  -0.712
  329   1HD1  LEU  43          1HD1      LEU  43  -2.998   2.506  -0.809
  330   2HD1  LEU  43          2HD1      LEU  43  -1.729   2.320   0.404
  331   3HD1  LEU  43          3HD1      LEU  43  -3.252   1.444   0.578
  332   1HD2  LEU  43          1HD2      LEU  43  -2.083   1.977  -2.583
  333   2HD2  LEU  43          2HD2      LEU  43  -2.845   0.407  -2.838
  334   3HD2  LEU  43          3HD2      LEU  43  -1.087   0.550  -2.871
  335    H    ILE  44           H        ILE  44   0.551  -2.745  -0.279
  336    HA   ILE  44           HA       ILE  44   3.309  -2.129   0.401
  337    HB   ILE  44           HB       ILE  44   2.158  -4.752   1.323
  338   1HG1  ILE  44          2HG1      ILE  44   2.769  -2.305   2.997
  339   2HG1  ILE  44          1HG1      ILE  44   1.154  -2.891   2.608
  340   1HG2  ILE  44          1HG2      ILE  44   4.671  -4.318   0.757
  341   2HG2  ILE  44          2HG2      ILE  44   4.226  -5.213   2.211
  342   3HG2  ILE  44          3HG2      ILE  44   4.676  -3.512   2.325
  343   1HD1  ILE  44          1HD1      ILE  44   2.988  -3.744   4.674
  344   2HD1  ILE  44          2HD1      ILE  44   2.411  -5.095   3.697
  345   3HD1  ILE  44          3HD1      ILE  44   1.257  -4.037   4.505
  346    H    PHE  45           H        PHE  45   4.787  -3.001  -1.012
  347    HA   PHE  45           HA       PHE  45   3.708  -4.493  -3.258
  348   1HB   PHE  45          2HB       PHE  45   6.322  -3.167  -2.673
  349   2HB   PHE  45          1HB       PHE  45   6.226  -4.359  -3.958
  350    HD1  PHE  45           1HD      PHE  45   4.813  -1.155  -2.773
  351    HD2  PHE  45           2HD      PHE  45   5.418  -3.766  -6.074
  352    HE1  PHE  45           1HE      PHE  45   4.031   0.606  -4.300
  353    HE2  PHE  45           2HE      PHE  45   4.632  -2.014  -7.611
  354    HZ   PHE  45           HZ       PHE  45   3.935   0.178  -6.724
  355    H    ALA  46           H        ALA  46   3.686  -5.815  -0.714
  356    HA   ALA  46           HA       ALA  46   4.102  -7.879   0.153
  357   1HB   ALA  46          1HB       ALA  46   5.550  -8.561  -2.399
  358   2HB   ALA  46          2HB       ALA  46   3.790  -8.525  -2.285
  359   3HB   ALA  46          3HB       ALA  46   4.714  -9.647  -1.287
  360    H    GLY  47           H        GLY  47   6.950  -7.252  -1.885
  361   1HA   GLY  47          2HA       GLY  47   8.652  -7.682   0.475
  362   2HA   GLY  47          1HA       GLY  47   9.172  -7.818  -1.201
  363    H    LYS  48           H        LYS  48   7.334  -5.151  -1.349
  364    HA   LYS  48           HA       LYS  48   9.519  -3.390  -0.423
  365   1HB   LYS  48          2HB       LYS  48   8.054  -3.442  -3.025
  366   2HB   LYS  48          1HB       LYS  48   8.536  -1.882  -2.377
  367   1HG   LYS  48          2HG       LYS  48  10.562  -4.045  -2.529
  368   2HG   LYS  48          1HG       LYS  48  10.070  -3.235  -4.017
  369   1HD   LYS  48          2HD       LYS  48  10.478  -1.174  -2.186
  370   2HD   LYS  48          1HD       LYS  48  11.802  -2.303  -1.896
  371   1HE   LYS  48          2HE       LYS  48  12.815  -1.291  -3.611
  372   2HE   LYS  48          1HE       LYS  48  11.700  -2.195  -4.634
  373   1HZ   LYS  48          1HZ       LYS  48  11.901   0.576  -4.322
  374   2HZ   LYS  48          2HZ       LYS  48  10.393   0.105  -3.723
  375   3HZ   LYS  48          3HZ       LYS  48  10.831  -0.289  -5.307
  376    H    GLN  49           H        GLN  49   8.787  -2.350   1.317
  377    HA   GLN  49           HA       GLN  49   5.947  -1.813   1.604
  378   1HB   GLN  49          2HB       GLN  49   7.676  -2.693   3.402
  379   2HB   GLN  49          1HB       GLN  49   7.936  -0.973   3.654
  380   1HG   GLN  49          2HG       GLN  49   5.402  -0.800   3.897
  381   2HG   GLN  49          1HG       GLN  49   5.424  -2.556   4.042
  382   1HE2  GLN  49          1HE2      GLN  49   5.016  -2.938   6.116
  383   2HE2  GLN  49          2HE2      GLN  49   5.880  -2.258   7.449
  384    H    LEU  50           H        LEU  50   4.989   0.164   1.645
  385    HA   LEU  50           HA       LEU  50   6.542   2.378   0.601
  386   1HB   LEU  50          2HB       LEU  50   3.603   2.349   1.258
  387   2HB   LEU  50          1HB       LEU  50   4.451   3.455   0.193
  388    HG   LEU  50           HG       LEU  50   3.857   0.542  -0.299
  389   1HD1  LEU  50          1HD1      LEU  50   3.002   3.098  -1.639
  390   2HD1  LEU  50          2HD1      LEU  50   1.985   1.951  -0.767
  391   3HD1  LEU  50          3HD1      LEU  50   2.719   1.489  -2.304
  392   1HD2  LEU  50          1HD2      LEU  50   5.491   0.410  -1.801
  393   2HD2  LEU  50          2HD2      LEU  50   6.137   1.902  -1.125
  394   3HD2  LEU  50          3HD2      LEU  50   5.054   1.964  -2.512
  395    H    GLU  51           H        GLU  51   6.539   4.454   1.505
  396    HA   GLU  51           HA       GLU  51   6.611   4.428   4.426
  397   1HB   GLU  51          2HB       GLU  51   7.534   6.495   2.425
  398   2HB   GLU  51          1HB       GLU  51   7.730   6.632   4.164
  399   1HG   GLU  51          2HG       GLU  51   8.806   4.205   2.852
  400   2HG   GLU  51          1HG       GLU  51   9.646   5.730   2.576
  401    H    ASP  52           H        ASP  52   5.187   5.494   5.694
  402    HA   ASP  52           HA       ASP  52   2.722   6.367   4.675
  403   1HB   ASP  52          2HB       ASP  52   3.838   5.869   7.215
  404   2HB   ASP  52          1HB       ASP  52   3.229   7.522   7.263
  405    H    GLY  53           H        GLY  53   5.649   8.127   5.487
  406   1HA   GLY  53          2HA       GLY  53   4.394  10.716   5.198
  407   2HA   GLY  53          1HA       GLY  53   6.101  10.405   5.467
  408    H    ARG  54           H        ARG  54   5.112   8.502   2.887
  409    HA   ARG  54           HA       ARG  54   6.404  10.335   1.040
  410   1HB   ARG  54          2HB       ARG  54   5.633   7.454   0.976
  411   2HB   ARG  54          1HB       ARG  54   5.888   8.295  -0.547
  412   1HG   ARG  54          2HG       ARG  54   7.904   8.159   1.680
  413   2HG   ARG  54          1HG       ARG  54   7.879   7.087   0.278
  414   1HD   ARG  54          2HD       ARG  54   9.288   8.620  -0.580
  415   2HD   ARG  54          1HD       ARG  54   7.795   9.484  -0.947
  416    HE   ARG  54           HE       ARG  54   8.376  11.058   0.601
  417   1HH1  ARG  54          1HH1      ARG  54  10.300   8.196   1.140
  418   2HH1  ARG  54          2HH1      ARG  54  11.301   8.945   2.339
  419   1HH2  ARG  54          1HH2      ARG  54   9.665  12.032   2.186
  420   2HH2  ARG  54          2HH2      ARG  54  10.920  11.120   2.956
  421    H    THR  55           H        THR  55   5.494  10.831  -1.077
  422    HA   THR  55           HA       THR  55   2.576  11.086  -0.910
  423    HB   THR  55           HB       THR  55   3.608  13.243  -0.963
  424    HG1  THR  55           1HG      THR  55   2.760  14.015  -3.005
  425   1HG2  THR  55          1HG2      THR  55   5.758  12.534  -2.032
  426   2HG2  THR  55          2HG2      THR  55   5.077  14.049  -2.622
  427   3HG2  THR  55          3HG2      THR  55   4.915  12.579  -3.582
  428    H    LEU  56           H        LEU  56   1.560  11.344  -3.221
  429    HA   LEU  56           HA       LEU  56   1.785   8.839  -4.456
  430   1HB   LEU  56          2HB       LEU  56  -0.120  10.634  -4.438
  431   2HB   LEU  56          1HB       LEU  56   0.661  11.198  -5.901
  432    HG   LEU  56           HG       LEU  56   0.402   8.445  -6.264
  433   1HD1  LEU  56          1HD1      LEU  56  -2.128   9.587  -5.091
  434   2HD1  LEU  56          2HD1      LEU  56  -1.121   8.329  -4.377
  435   3HD1  LEU  56          3HD1      LEU  56  -1.975   8.021  -5.890
  436   1HD2  LEU  56          1HD2      LEU  56   0.171  10.333  -7.897
  437   2HD2  LEU  56          2HD2      LEU  56  -1.465  10.566  -7.296
  438   3HD2  LEU  56          3HD2      LEU  56  -1.027   9.047  -8.068
  439    H    SER  57           H        SER  57   2.734  12.030  -5.752
  440    HA   SER  57           HA       SER  57   3.868  11.122  -8.126
  441   1HB   SER  57          2HB       SER  57   4.483  13.572  -6.468
  442   2HB   SER  57          1HB       SER  57   5.165  13.292  -8.072
  443    HG   SER  57           HG       SER  57   2.659  14.111  -7.359
  444    H    ASP  58           H        ASP  58   5.194  11.190  -4.920
  445    HA   ASP  58           HA       ASP  58   7.936  10.901  -5.578
  446   1HB   ASP  58          2HB       ASP  58   6.585  11.321  -3.270
  447   2HB   ASP  58          1HB       ASP  58   7.008   9.623  -3.082
  448    H    TYR  59           H        TYR  59   5.289   8.671  -5.530
  449    HA   TYR  59           HA       TYR  59   7.160   6.537  -6.276
  450   1HB   TYR  59          2HB       TYR  59   6.031   6.525  -3.825
  451   2HB   TYR  59          1HB       TYR  59   4.782   5.681  -4.735
  452    HD1  TYR  59           1HD      TYR  59   7.953   5.390  -3.108
  453    HD2  TYR  59           2HD      TYR  59   5.504   3.644  -6.116
  454    HE1  TYR  59           1HE      TYR  59   9.268   3.323  -2.965
  455    HE2  TYR  59           2HE      TYR  59   6.815   1.567  -5.984
  456    HH   TYR  59           HH       TYR  59   8.904   0.744  -5.252
  457    H    ASN  60           H        ASN  60   5.195   8.373  -7.697
  458    HA   ASN  60           HA       ASN  60   3.613   6.251  -9.004
  459   1HB   ASN  60          2HB       ASN  60   2.194   7.994  -7.955
  460   2HB   ASN  60          1HB       ASN  60   2.983   9.209  -8.962
  461   1HD2  ASN  60          1HD2      ASN  60   0.475   9.286  -9.370
  462   2HD2  ASN  60          2HD2      ASN  60  -0.051   8.431 -10.771
  463    H    ILE  61           H        ILE  61   4.754   5.650 -10.688
  464    HA   ILE  61           HA       ILE  61   6.117   7.630 -12.376
  465    HB   ILE  61           HB       ILE  61   7.263   5.682 -13.367
  466   1HG1  ILE  61          2HG1      ILE  61   6.080   3.998 -11.180
  467   2HG1  ILE  61          1HG1      ILE  61   5.260   4.145 -12.731
  468   1HG2  ILE  61          1HG2      ILE  61   8.833   5.740 -11.764
  469   2HG2  ILE  61          2HG2      ILE  61   7.721   5.163 -10.522
  470   3HG2  ILE  61          3HG2      ILE  61   7.739   6.869 -10.962
  471   1HD1  ILE  61          1HD1      ILE  61   6.500   2.225 -12.983
  472   2HD1  ILE  61          2HD1      ILE  61   7.874   2.863 -12.084
  473   3HD1  ILE  61          3HD1      ILE  61   7.546   3.438 -13.720
  474    H    GLN  62           H        GLN  62   5.936   5.294 -14.441
  475    HA   GLN  62           HA       GLN  62   3.833   6.464 -15.953
  476   1HB   GLN  62          2HB       GLN  62   6.014   4.746 -16.456
  477   2HB   GLN  62          1HB       GLN  62   4.574   3.880 -16.974
  478   1HG   GLN  62          2HG       GLN  62   4.291   5.190 -18.751
  479   2HG   GLN  62          1HG       GLN  62   4.601   6.661 -17.830
  480   1HE2  GLN  62          1HE2      GLN  62   6.418   7.713 -18.230
  481   2HE2  GLN  62          2HE2      GLN  62   7.788   7.081 -19.070
  482    H    LYS  63           H        LYS  63   1.778   6.076 -15.876
  483    HA   LYS  63           HA       LYS  63   0.383   4.531 -14.145
  484   1HB   LYS  63          2HB       LYS  63  -1.545   4.739 -15.623
  485   2HB   LYS  63          1HB       LYS  63  -0.641   6.245 -15.572
  486   1HG   LYS  63          2HG       LYS  63  -0.247   4.224 -17.759
  487   2HG   LYS  63          1HG       LYS  63  -1.501   5.464 -17.835
  488   1HD   LYS  63          2HD       LYS  63   0.934   6.730 -17.103
  489   2HD   LYS  63          1HD       LYS  63   1.267   5.681 -18.481
  490   1HE   LYS  63          2HE       LYS  63  -0.534   6.734 -19.730
  491   2HE   LYS  63          1HE       LYS  63  -0.926   7.748 -18.340
  492   1HZ   LYS  63          1HZ       LYS  63   1.120   8.082 -20.317
  493   2HZ   LYS  63          2HZ       LYS  63   1.732   8.188 -18.744
  494   3HZ   LYS  63          3HZ       LYS  63   0.475   9.210 -19.234
  495    H    GLU  64           H        GLU  64  -1.176   2.705 -14.743
  496    HA   GLU  64           HA       GLU  64  -1.588   0.557 -15.430
  497   1HB   GLU  64          2HB       GLU  64  -0.105   1.577 -17.574
  498   2HB   GLU  64          1HB       GLU  64   0.725   0.092 -17.131
  499   1HG   GLU  64          2HG       GLU  64  -0.759  -0.837 -18.531
  500   2HG   GLU  64          1HG       GLU  64  -1.817  -0.782 -17.122
  501    H    SER  65           H        SER  65  -1.046   0.067 -13.278
  502    HA   SER  65           HA       SER  65   1.036  -1.849 -12.994
  503   1HB   SER  65          2HB       SER  65   2.376  -0.753 -11.320
  504   2HB   SER  65          1HB       SER  65   2.291   0.320 -12.716
  505    HG   SER  65           HG       SER  65   0.424   1.281 -11.515
  506    H    THR  66           H        THR  66   0.432  -3.291 -11.511
  507    HA   THR  66           HA       THR  66  -2.094  -3.068 -10.249
  508    HB   THR  66           HB       THR  66  -0.154  -5.101  -9.285
  509    HG1  THR  66           1HG      THR  66  -1.022  -4.853 -11.955
  510   1HG2  THR  66          1HG2      THR  66  -2.275  -5.588  -8.536
  511   2HG2  THR  66          2HG2      THR  66  -2.164  -6.564 -10.002
  512   3HG2  THR  66          3HG2      THR  66  -3.040  -5.032 -10.027
  513    H    LEU  67           H        LEU  67  -2.636  -2.947  -8.065
  514    HA   LEU  67           HA       LEU  67  -0.517  -1.887  -6.326
  515   1HB   LEU  67          2HB       LEU  67  -3.308  -0.963  -6.809
  516   2HB   LEU  67          1HB       LEU  67  -2.634  -0.766  -5.202
  517    HG   LEU  67           HG       LEU  67  -0.634   0.299  -6.673
  518   1HD1  LEU  67          1HD1      LEU  67  -3.173   0.678  -8.230
  519   2HD1  LEU  67          2HD1      LEU  67  -1.595   0.146  -8.807
  520   3HD1  LEU  67          3HD1      LEU  67  -1.835   1.823  -8.317
  521   1HD2  LEU  67          1HD2      LEU  67  -1.794   1.300  -4.740
  522   2HD2  LEU  67          2HD2      LEU  67  -3.107   1.791  -5.810
  523   3HD2  LEU  67          3HD2      LEU  67  -1.489   2.461  -6.030
  524    H    HIS  68           H        HIS  68  -0.320  -2.789  -4.283
  525    HA   HIS  68           HA       HIS  68  -2.325  -4.844  -3.597
  526   1HB   HIS  68          2HB       HIS  68  -0.035  -5.668  -4.301
  527   2HB   HIS  68          1HB       HIS  68   0.592  -4.922  -2.840
  528    HD1  HIS  68           1HD      HIS  68  -1.443  -5.811  -0.757
  529    HD2  HIS  68           2HD      HIS  68   0.020  -8.312  -3.736
  530    HE1  HIS  68           1HE      HIS  68  -1.810  -8.148   0.088
  531    HE2  HIS  68           2HE      HIS  68  -0.932  -9.646  -1.736
  532    H    LEU  69           H        LEU  69  -3.298  -4.678  -1.686
  533    HA   LEU  69           HA       LEU  69  -2.120  -2.883   0.336
  534   1HB   LEU  69          2HB       LEU  69  -4.295  -2.144  -0.797
  535   2HB   LEU  69          1HB       LEU  69  -5.061  -3.476   0.051
  536    HG   LEU  69           HG       LEU  69  -3.495  -1.588   1.707
  537   1HD1  LEU  69          1HD1      LEU  69  -4.748   0.244   1.449
  538   2HD1  LEU  69          2HD1      LEU  69  -6.230  -0.681   1.192
  539   3HD1  LEU  69          3HD1      LEU  69  -5.096  -0.440  -0.139
  540   1HD2  LEU  69          1HD2      LEU  69  -6.203  -2.867   2.040
  541   2HD2  LEU  69          2HD2      LEU  69  -5.290  -2.004   3.279
  542   3HD2  LEU  69          3HD2      LEU  69  -4.683  -3.531   2.640
  543    H    VAL  70           H        VAL  70  -1.485  -3.914   2.123
  544    HA   VAL  70           HA       VAL  70  -2.686  -6.546   2.690
  545    HB   VAL  70           HB       VAL  70  -0.004  -5.599   3.684
  546   1HG1  VAL  70          1HG1      VAL  70  -1.629  -7.911   4.157
  547   2HG1  VAL  70          2HG1      VAL  70  -0.076  -7.477   4.867
  548   3HG1  VAL  70          3HG1      VAL  70  -0.130  -8.392   3.361
  549   1HG2  VAL  70          1HG2      VAL  70  -0.288  -5.714   1.123
  550   2HG2  VAL  70          2HG2      VAL  70  -0.355  -7.460   1.363
  551   3HG2  VAL  70          3HG2      VAL  70   1.077  -6.558   1.858
  552    H    LEU  71           H        LEU  71  -3.326  -7.125   4.714
  553    HA   LEU  71           HA       LEU  71  -3.148  -5.111   6.844
  554   1HB   LEU  71          2HB       LEU  71  -5.533  -5.983   5.468
  555   2HB   LEU  71          1HB       LEU  71  -5.627  -6.395   7.170
  556    HG   LEU  71           HG       LEU  71  -4.880  -3.905   7.505
  557   1HD1  LEU  71          1HD1      LEU  71  -4.477  -3.157   5.351
  558   2HD1  LEU  71          2HD1      LEU  71  -6.107  -2.568   5.672
  559   3HD1  LEU  71          3HD1      LEU  71  -5.871  -4.011   4.688
  560   1HD2  LEU  71          1HD2      LEU  71  -7.255  -5.263   7.698
  561   2HD2  LEU  71          2HD2      LEU  71  -7.672  -3.913   6.643
  562   3HD2  LEU  71          3HD2      LEU  71  -6.977  -3.607   8.235
  563    H    ARG  72           H        ARG  72  -1.405  -6.641   7.427
  564    HA   ARG  72           HA       ARG  72  -2.204  -9.252   8.378
  565   1HB   ARG  72          2HB       ARG  72   0.449  -7.843   8.673
  566   2HB   ARG  72          1HB       ARG  72   0.138  -9.554   8.923
  567   1HG   ARG  72          2HG       ARG  72  -0.695  -8.671   6.292
  568   2HG   ARG  72          1HG       ARG  72   1.016  -8.358   6.592
  569   1HD   ARG  72          2HD       ARG  72   1.535 -10.573   6.723
  570   2HD   ARG  72          1HD       ARG  72  -0.044 -11.015   7.371
  571    HE   ARG  72           HE       ARG  72   0.061 -10.168   4.587
  572   1HH1  ARG  72          1HH1      ARG  72  -0.112 -12.796   6.881
  573   2HH1  ARG  72          2HH1      ARG  72  -0.706 -13.934   5.721
  574   1HH2  ARG  72          1HH2      ARG  72  -0.729 -11.665   3.063
  575   2HH2  ARG  72          2HH2      ARG  72  -1.061 -13.292   3.554
  576    H    LEU  73           H        LEU  73  -2.748  -9.777  10.367
  577    HA   LEU  73           HA       LEU  73  -3.135  -7.793  12.371
  578   1HB   LEU  73          2HB       LEU  73  -3.948 -10.471  11.934
  579   2HB   LEU  73          1HB       LEU  73  -3.145 -10.440  13.493
  580    HG   LEU  73           HG       LEU  73  -4.788  -8.239  13.638
  581   1HD1  LEU  73          1HD1      LEU  73  -6.972  -9.796  12.981
  582   2HD1  LEU  73          2HD1      LEU  73  -5.863 -10.036  11.630
  583   3HD1  LEU  73          3HD1      LEU  73  -6.364  -8.406  12.079
  584   1HD2  LEU  73          1HD2      LEU  73  -6.125  -9.606  15.159
  585   2HD2  LEU  73          2HD2      LEU  73  -4.399  -9.886  15.390
  586   3HD2  LEU  73          3HD2      LEU  73  -5.375 -11.064  14.512
  587    H    ARG  74           H        ARG  74  -1.739  -7.033  13.807
  588    HA   ARG  74           HA       ARG  74   0.363  -8.657  14.899
  589   1HB   ARG  74          2HB       ARG  74   0.948  -7.304  12.563
  590   2HB   ARG  74          1HB       ARG  74   1.558  -6.228  13.811
  591   1HG   ARG  74          2HG       ARG  74   2.439  -8.731  14.600
  592   2HG   ARG  74          1HG       ARG  74   2.623  -8.740  12.845
  593   1HD   ARG  74          2HD       ARG  74   4.640  -7.851  13.538
  594   2HD   ARG  74          1HD       ARG  74   3.692  -6.402  13.207
  595    HE   ARG  74           HE       ARG  74   3.560  -7.310  15.942
  596   1HH1  ARG  74          1HH1      ARG  74   5.276  -5.314  13.648
  597   2HH1  ARG  74          2HH1      ARG  74   5.938  -4.271  14.862
  598   1HH2  ARG  74          1HH2      ARG  74   4.437  -5.943  17.541
  599   2HH2  ARG  74          2HH2      ARG  74   5.459  -4.625  17.070
  600    H    GLY  75           H        GLY  75  -1.967  -6.805  15.653
  601   1HA   GLY  75          2HA       GLY  75  -0.726  -4.643  17.087
  602   2HA   GLY  75          1HA       GLY  75  -2.411  -5.127  17.184
  603    H    GLY  76           H        GLY  76   0.418  -7.135  17.800
  604   1HA   GLY  76          2HA       GLY  76   1.230  -7.316  20.164
  605   2HA   GLY  76          1HA       GLY  76  -0.470  -7.401  20.608
  606    H    HIS  77           H        HIS  77   1.964  -9.267  20.772
  607    HA   HIS  77           HA       HIS  77   1.756 -11.473  19.180
  608   1HB   HIS  77          2HB       HIS  77   3.180 -10.829  21.404
  609   2HB   HIS  77          1HB       HIS  77   2.141 -12.100  22.033
  610    HD1  HIS  77           1HD      HIS  77   5.311 -12.224  21.487
  611    HD2  HIS  77           2HD      HIS  77   2.296 -13.927  19.188
  612    HE1  HIS  77           1HE      HIS  77   6.404 -14.109  20.236
  613    HE2  HIS  77           2HE      HIS  77   4.556 -15.147  18.874
  614    H    HIS  78           H        HIS  78   0.368 -11.658  22.464
  615    HA   HIS  78           HA       HIS  78  -2.246 -12.278  21.605
  616   1HB   HIS  78          2HB       HIS  78  -2.263 -14.703  22.281
  617   2HB   HIS  78          1HB       HIS  78  -1.400 -14.359  20.788
  618    HD1  HIS  78           1HD      HIS  78  -1.064 -16.558  23.414
  619    HD2  HIS  78           2HD      HIS  78   1.559 -13.798  21.750
  620    HE1  HIS  78           1HE      HIS  78   1.239 -17.337  24.065
  621    HE2  HIS  78           2HE      HIS  78   2.805 -15.616  23.096
  622    H    HIS  79           H        HIS  79  -3.507 -11.696  23.215
  623    HA   HIS  79           HA       HIS  79  -2.426 -11.778  25.947
  624   1HB   HIS  79          2HB       HIS  79  -3.635  -9.713  24.545
  625   2HB   HIS  79          1HB       HIS  79  -4.916 -10.298  25.602
  626    HD1  HIS  79           1HD      HIS  79  -3.198  -7.547  25.786
  627    HD2  HIS  79           2HD      HIS  79  -2.895 -10.908  28.207
  628    HE1  HIS  79           1HE      HIS  79  -2.185  -6.733  27.938
  629    HE2  HIS  79           2HE      HIS  79  -1.940  -8.798  29.359
  630    H    HIS  80           H        HIS  80  -3.394 -12.944  27.521
  631    HA   HIS  80           HA       HIS  80  -5.671 -14.616  26.733
  632   1HB   HIS  80          2HB       HIS  80  -3.492 -15.603  27.645
  633   2HB   HIS  80          1HB       HIS  80  -3.986 -14.957  29.208
  634    HD1  HIS  80           1HD      HIS  80  -6.504 -15.836  29.965
  635    HD2  HIS  80           2HD      HIS  80  -4.414 -18.096  27.176
  636    HE1  HIS  80           1HE      HIS  80  -7.587 -18.106  29.993
  637    HE2  HIS  80           2HE      HIS  80  -6.367 -19.426  28.226
  638    H    HIS  81           H        HIS  81  -7.576 -13.767  27.233
  639    HA   HIS  81           HA       HIS  81  -7.903 -12.282  29.760
  640   1HB   HIS  81          2HB       HIS  81  -8.986 -12.008  27.078
  641   2HB   HIS  81          1HB       HIS  81 -10.270 -12.088  28.279
  642    HD1  HIS  81           1HD      HIS  81 -10.652  -9.517  27.521
  643    HD2  HIS  81           2HD      HIS  81  -7.165 -10.333  29.633
  644    HE1  HIS  81           1HE      HIS  81  -9.829  -7.289  28.351
  645    HE2  HIS  81           2HE      HIS  81  -7.785  -7.826  29.722
  646    H    HIS  82           H        HIS  82  -8.371 -13.737  31.339
  647    HA   HIS  82           HA       HIS  82  -9.968 -16.073  30.873
  648   1HB   HIS  82          2HB       HIS  82  -8.081 -15.762  32.599
  649   2HB   HIS  82          1HB       HIS  82  -9.285 -14.935  33.580
  650    HD1  HIS  82           1HD      HIS  82  -7.909 -17.628  34.405
  651    HD2  HIS  82           2HD      HIS  82 -11.647 -17.282  32.624
  652    HE1  HIS  82           1HE      HIS  82  -9.149 -19.720  35.039
  653    HE2  HIS  82           2HE      HIS  82 -11.387 -19.518  33.899
  Start of MODEL   18
    1   1H    MET   1          1HT       MET   1  -6.720   7.735 -15.949
    2   2H    MET   1          2HT       MET   1  -8.288   7.371 -15.357
    3   3H    MET   1          3HT       MET   1  -7.947   7.229 -17.032
    4    HA   MET   1           HA       MET   1  -7.610   5.130 -16.656
    5   1HB   MET   1          2HB       MET   1  -5.358   4.572 -15.906
    6   2HB   MET   1          1HB       MET   1  -5.323   6.003 -16.925
    7   1HG   MET   1          2HG       MET   1  -5.100   7.423 -14.978
    8   2HG   MET   1          1HG       MET   1  -5.240   6.025 -13.915
    9   1HE   MET   1          1HE       MET   1  -1.588   7.290 -16.380
   10   2HE   MET   1          2HE       MET   1  -2.903   8.332 -15.834
   11   3HE   MET   1          3HE       MET   1  -3.186   7.149 -17.111
   12    H    GLN   2           H        GLN   2  -8.371   3.545 -15.402
   13    HA   GLN   2           HA       GLN   2  -8.615   4.083 -12.520
   14   1HB   GLN   2          2HB       GLN   2 -10.383   2.208 -14.075
   15   2HB   GLN   2          1HB       GLN   2 -10.653   2.881 -12.473
   16   1HG   GLN   2          2HG       GLN   2 -11.861   4.480 -13.396
   17   2HG   GLN   2          1HG       GLN   2 -10.407   5.075 -14.194
   18   1HE2  GLN   2          1HE2      GLN   2 -13.243   3.073 -14.523
   19   2HE2  GLN   2          2HE2      GLN   2 -13.233   2.998 -16.249
   20    H    ILE   3           H        ILE   3  -6.898   3.117 -11.706
   21    HA   ILE   3           HA       ILE   3  -5.846   0.621 -12.571
   22    HB   ILE   3           HB       ILE   3  -4.518   0.769 -10.429
   23   1HG1  ILE   3          2HG1      ILE   3  -5.493   3.578 -10.156
   24   2HG1  ILE   3          1HG1      ILE   3  -6.487   2.291  -9.482
   25   1HG2  ILE   3          1HG2      ILE   3  -3.935   1.766 -12.724
   26   2HG2  ILE   3          2HG2      ILE   3  -3.043   2.347 -11.317
   27   3HG2  ILE   3          3HG2      ILE   3  -4.348   3.319 -11.997
   28   1HD1  ILE   3          1HD1      ILE   3  -3.969   1.686  -8.563
   29   2HD1  ILE   3          2HD1      ILE   3  -5.246   2.498  -7.658
   30   3HD1  ILE   3          3HD1      ILE   3  -4.020   3.447  -8.499
   31    H    PHE   4           H        PHE   4  -5.455  -1.164 -10.865
   32    HA   PHE   4           HA       PHE   4  -7.996  -1.675  -9.455
   33   1HB   PHE   4          2HB       PHE   4  -7.287  -4.163  -9.885
   34   2HB   PHE   4          1HB       PHE   4  -8.108  -3.248 -11.142
   35    HD1  PHE   4           1HD      PHE   4  -4.858  -4.540 -10.008
   36    HD2  PHE   4           2HD      PHE   4  -7.035  -2.753 -13.195
   37    HE1  PHE   4           1HE      PHE   4  -2.996  -5.015 -11.537
   38    HE2  PHE   4           2HE      PHE   4  -5.175  -3.225 -14.736
   39    HZ   PHE   4           HZ       PHE   4  -3.150  -4.357 -13.908
   40    H    VAL   5           H        VAL   5  -7.925  -2.545  -7.448
   41    HA   VAL   5           HA       VAL   5  -5.275  -3.042  -6.265
   42    HB   VAL   5           HB       VAL   5  -7.491  -1.560  -4.855
   43   1HG1  VAL   5          1HG1      VAL   5  -4.605  -1.869  -4.070
   44   2HG1  VAL   5          2HG1      VAL   5  -5.903  -2.900  -3.468
   45   3HG1  VAL   5          3HG1      VAL   5  -5.913  -1.173  -3.114
   46   1HG2  VAL   5          1HG2      VAL   5  -6.664   0.432  -5.496
   47   2HG2  VAL   5          2HG2      VAL   5  -6.038  -0.488  -6.864
   48   3HG2  VAL   5          3HG2      VAL   5  -4.996  -0.140  -5.485
   49    H    LYS   6           H        LYS   6  -5.137  -4.768  -4.955
   50    HA   LYS   6           HA       LYS   6  -7.493  -6.444  -4.693
   51   1HB   LYS   6          2HB       LYS   6  -4.618  -6.896  -4.771
   52   2HB   LYS   6          1HB       LYS   6  -5.394  -7.795  -3.474
   53   1HG   LYS   6          2HG       LYS   6  -6.627  -7.893  -6.174
   54   2HG   LYS   6          1HG       LYS   6  -5.135  -8.795  -5.893
   55   1HD   LYS   6          2HD       LYS   6  -6.154 -10.001  -4.068
   56   2HD   LYS   6          1HD       LYS   6  -7.616  -9.019  -4.190
   57   1HE   LYS   6          2HE       LYS   6  -7.861 -11.249  -5.227
   58   2HE   LYS   6          1HE       LYS   6  -8.101  -9.928  -6.369
   59   1HZ   LYS   6          1HZ       LYS   6  -5.741 -10.250  -7.044
   60   2HZ   LYS   6          2HZ       LYS   6  -6.749 -11.555  -7.412
   61   3HZ   LYS   6          3HZ       LYS   6  -5.699 -11.646  -6.089
   62    H    THR   7           H        THR   7  -8.637  -6.683  -2.937
   63    HA   THR   7           HA       THR   7  -7.820  -5.303  -0.511
   64    HB   THR   7           HB       THR   7 -10.159  -5.781   0.230
   65    HG1  THR   7           1HG      THR   7 -11.542  -6.500  -1.580
   66   1HG2  THR   7          1HG2      THR   7 -11.303  -4.445  -1.616
   67   2HG2  THR   7          2HG2      THR   7  -9.707  -4.358  -2.364
   68   3HG2  THR   7          3HG2      THR   7  -9.965  -3.681  -0.756
   69    H    LEU   8           H        LEU   8  -8.919  -6.619   1.535
   70    HA   LEU   8           HA       LEU   8  -7.164  -8.869   1.844
   71   1HB   LEU   8          2HB       LEU   8  -7.726  -7.228   3.656
   72   2HB   LEU   8          1HB       LEU   8  -9.336  -7.918   3.710
   73    HG   LEU   8           HG       LEU   8  -7.530 -10.078   3.977
   74   1HD1  LEU   8          1HD1      LEU   8  -5.743  -8.674   4.618
   75   2HD1  LEU   8          2HD1      LEU   8  -6.407  -9.333   6.112
   76   3HD1  LEU   8          3HD1      LEU   8  -6.788  -7.680   5.632
   77   1HD2  LEU   8          1HD2      LEU   8  -8.517  -9.789   6.440
   78   2HD2  LEU   8          2HD2      LEU   8  -9.475 -10.407   5.094
   79   3HD2  LEU   8          3HD2      LEU   8  -9.615  -8.715   5.574
   80    H    THR   9           H        THR   9 -10.485  -8.410   1.007
   81    HA   THR   9           HA       THR   9 -11.193 -11.168   1.571
   82    HB   THR   9           HB       THR   9 -13.377 -10.360   0.369
   83    HG1  THR   9           1HG      THR   9 -13.107  -7.861   1.179
   84   1HG2  THR   9          1HG2      THR   9 -12.987 -10.735   2.866
   85   2HG2  THR   9          2HG2      THR   9 -14.306  -9.668   2.385
   86   3HG2  THR   9          3HG2      THR   9 -12.785  -8.984   2.960
   87    H    GLY  10           H        GLY  10  -9.818  -9.447  -1.021
   88   1HA   GLY  10          2HA       GLY  10  -8.957 -10.667  -2.899
   89   2HA   GLY  10          1HA       GLY  10 -10.351 -11.731  -2.790
   90    H    ALA  11           H        ALA  11 -11.486  -8.716  -2.272
   91    HA   ALA  11           HA       ALA  11 -12.565  -8.535  -4.961
   92   1HB   ALA  11          1HB       ALA  11 -13.173  -6.759  -2.610
   93   2HB   ALA  11          2HB       ALA  11 -13.993  -8.286  -2.934
   94   3HB   ALA  11          3HB       ALA  11 -14.120  -6.955  -4.084
   95    H    THR  12           H        THR  12 -11.499  -7.448  -6.473
   96    HA   THR  12           HA       THR  12  -9.517  -5.500  -5.890
   97    HB   THR  12           HB       THR  12 -10.722  -5.826  -8.619
   98    HG1  THR  12           1HG      THR  12 -10.255  -7.942  -7.491
   99   1HG2  THR  12          1HG2      THR  12  -8.549  -5.461  -9.428
  100   2HG2  THR  12          2HG2      THR  12  -7.835  -5.677  -7.830
  101   3HG2  THR  12          3HG2      THR  12  -8.817  -4.252  -8.172
  102    H    ILE  13           H        ILE  13  -9.682  -3.308  -5.833
  103    HA   ILE  13           HA       ILE  13 -12.350  -2.180  -6.376
  104    HB   ILE  13           HB       ILE  13 -11.752  -0.364  -4.791
  105   1HG1  ILE  13          2HG1      ILE  13  -9.827  -1.309  -3.154
  106   2HG1  ILE  13          1HG1      ILE  13  -9.226  -1.914  -4.692
  107   1HG2  ILE  13          1HG2      ILE  13 -12.978  -2.549  -4.216
  108   2HG2  ILE  13          2HG2      ILE  13 -12.377  -1.551  -2.892
  109   3HG2  ILE  13          3HG2      ILE  13 -11.488  -2.993  -3.381
  110   1HD1  ILE  13          1HD1      ILE  13  -8.538   0.447  -3.753
  111   2HD1  ILE  13          2HD1      ILE  13 -10.041   0.932  -4.539
  112   3HD1  ILE  13          3HD1      ILE  13  -8.760   0.169  -5.480
  113    H    THR  14           H        THR  14 -12.597  -0.462  -7.640
  114    HA   THR  14           HA       THR  14 -10.279   0.466  -9.172
  115    HB   THR  14           HB       THR  14 -12.298   1.640 -10.446
  116    HG1  THR  14           1HG      THR  14 -13.968   1.051  -9.153
  117   1HG2  THR  14          1HG2      THR  14 -11.966   0.141 -12.052
  118   2HG2  THR  14          2HG2      THR  14 -12.453  -1.204 -11.021
  119   3HG2  THR  14          3HG2      THR  14 -10.801  -0.591 -10.949
  120    H    LEU  15           H        LEU  15  -9.340   2.365  -8.658
  121    HA   LEU  15           HA       LEU  15 -11.017   4.489  -7.540
  122   1HB   LEU  15          2HB       LEU  15  -9.739   3.085  -5.786
  123   2HB   LEU  15          1HB       LEU  15  -8.320   3.940  -6.363
  124    HG   LEU  15           HG       LEU  15  -9.334   6.079  -5.742
  125   1HD1  LEU  15          1HD1      LEU  15 -11.418   5.845  -4.217
  126   2HD1  LEU  15          2HD1      LEU  15 -11.670   4.333  -5.089
  127   3HD1  LEU  15          3HD1      LEU  15 -11.624   5.860  -5.968
  128   1HD2  LEU  15          1HD2      LEU  15  -8.911   5.918  -3.476
  129   2HD2  LEU  15          2HD2      LEU  15  -8.062   4.511  -4.116
  130   3HD2  LEU  15          3HD2      LEU  15  -9.639   4.315  -3.349
  131    H    GLU  16           H        GLU  16  -9.937   6.578  -7.460
  132    HA   GLU  16           HA       GLU  16  -8.131   6.958  -9.758
  133   1HB   GLU  16          2HB       GLU  16 -10.077   8.936  -8.546
  134   2HB   GLU  16          1HB       GLU  16  -9.054   9.224  -9.946
  135   1HG   GLU  16          2HG       GLU  16 -10.452   6.928 -10.599
  136   2HG   GLU  16          1HG       GLU  16 -11.636   7.933  -9.765
  137    H    VAL  17           H        VAL  17  -6.154   7.846  -9.363
  138    HA   VAL  17           HA       VAL  17  -5.526   8.439  -6.603
  139    HB   VAL  17           HB       VAL  17  -3.167   8.616  -7.478
  140   1HG1  VAL  17          1HG1      VAL  17  -4.521   6.491  -6.664
  141   2HG1  VAL  17          2HG1      VAL  17  -2.862   6.373  -7.250
  142   3HG1  VAL  17          3HG1      VAL  17  -4.206   5.970  -8.319
  143   1HG2  VAL  17          1HG2      VAL  17  -2.706   7.761  -9.712
  144   2HG2  VAL  17          2HG2      VAL  17  -3.727   9.197  -9.794
  145   3HG2  VAL  17          3HG2      VAL  17  -4.434   7.597 -10.018
  146    H    GLU  18           H        GLU  18  -4.048  10.263  -6.104
  147    HA   GLU  18           HA       GLU  18  -4.417  12.658  -7.740
  148   1HB   GLU  18          2HB       GLU  18  -5.088  12.648  -4.796
  149   2HB   GLU  18          1HB       GLU  18  -5.203  14.009  -5.898
  150   1HG   GLU  18          2HG       GLU  18  -6.771  11.685  -6.719
  151   2HG   GLU  18          1HG       GLU  18  -7.257  12.380  -5.175
  152    H    SER  19           H        SER  19  -2.873  14.263  -7.409
  153    HA   SER  19           HA       SER  19  -0.327  13.351  -6.528
  154   1HB   SER  19          2HB       SER  19  -0.771  15.086  -8.328
  155   2HB   SER  19          1HB       SER  19  -1.136  16.225  -7.031
  156    HG   SER  19           HG       SER  19   1.287  15.240  -7.887
  157    H    SER  20           H        SER  20  -2.828  15.404  -5.186
  158    HA   SER  20           HA       SER  20  -1.276  16.108  -2.851
  159   1HB   SER  20          2HB       SER  20  -3.159  17.482  -4.046
  160   2HB   SER  20          1HB       SER  20  -4.237  16.530  -3.027
  161    HG   SER  20           HG       SER  20  -3.434  17.468  -1.261
  162    H    ASP  21           H        ASP  21  -2.463  13.250  -3.614
  163    HA   ASP  21           HA       ASP  21  -3.942  12.638  -1.209
  164   1HB   ASP  21          2HB       ASP  21  -4.301  11.565  -3.505
  165   2HB   ASP  21          1HB       ASP  21  -2.840  10.641  -3.175
  166    H    THR  22           H        THR  22  -2.963  12.285   0.668
  167    HA   THR  22           HA       THR  22  -0.278  11.082   0.639
  168    HB   THR  22           HB       THR  22   0.284  12.324   2.608
  169    HG1  THR  22           1HG      THR  22  -2.418  13.179   2.580
  170   1HG2  THR  22          1HG2      THR  22   0.617  13.660   0.668
  171   2HG2  THR  22          2HG2      THR  22  -0.074  14.687   1.924
  172   3HG2  THR  22          3HG2      THR  22  -1.090  14.097   0.609
  173    H    ILE  23           H        ILE  23   0.229   9.956   2.760
  174    HA   ILE  23           HA       ILE  23  -1.607   7.858   3.138
  175    HB   ILE  23           HB       ILE  23   0.632   8.663   5.000
  176   1HG1  ILE  23          2HG1      ILE  23   1.474   8.428   2.724
  177   2HG1  ILE  23          1HG1      ILE  23   2.000   7.060   3.698
  178   1HG2  ILE  23          1HG2      ILE  23   0.287   6.759   6.122
  179   2HG2  ILE  23          2HG2      ILE  23   0.021   5.831   4.646
  180   3HG2  ILE  23          3HG2      ILE  23  -1.301   6.752   5.358
  181   1HD1  ILE  23          1HD1      ILE  23   1.329   5.917   1.881
  182   2HD1  ILE  23          2HD1      ILE  23   0.175   7.155   1.388
  183   3HD1  ILE  23          3HD1      ILE  23  -0.240   6.027   2.677
  184    H    ASP  24           H        ASP  24  -1.323  10.962   4.650
  185    HA   ASP  24           HA       ASP  24  -2.880  10.261   6.987
  186   1HB   ASP  24          2HB       ASP  24  -1.424  12.619   6.006
  187   2HB   ASP  24          1HB       ASP  24  -2.910  13.004   6.869
  188    H    ASN  25           H        ASN  25  -3.358  11.949   3.936
  189    HA   ASN  25           HA       ASN  25  -5.929  12.930   4.313
  190   1HB   ASN  25          2HB       ASN  25  -4.236  12.285   1.998
  191   2HB   ASN  25          1HB       ASN  25  -5.962  12.247   1.664
  192   1HD2  ASN  25          1HD2      ASN  25  -7.189  14.142   1.990
  193   2HD2  ASN  25          2HD2      ASN  25  -6.439  15.698   1.983
  194    H    VAL  26           H        VAL  26  -4.857   9.705   3.371
  195    HA   VAL  26           HA       VAL  26  -7.311   8.616   2.609
  196    HB   VAL  26           HB       VAL  26  -5.285   7.033   4.184
  197   1HG1  VAL  26          1HG1      VAL  26  -7.623   6.219   3.291
  198   2HG1  VAL  26          2HG1      VAL  26  -6.201   5.178   3.205
  199   3HG1  VAL  26          3HG1      VAL  26  -6.737   6.061   1.775
  200   1HG2  VAL  26          1HG2      VAL  26  -4.108   8.376   2.454
  201   2HG2  VAL  26          2HG2      VAL  26  -5.131   7.632   1.229
  202   3HG2  VAL  26          3HG2      VAL  26  -4.021   6.640   2.173
  203    H    LYS  27           H        LYS  27  -5.924   9.183   5.787
  204    HA   LYS  27           HA       LYS  27  -7.875   7.710   7.232
  205   1HB   LYS  27          2HB       LYS  27  -5.499   8.594   7.954
  206   2HB   LYS  27          1HB       LYS  27  -6.423   9.991   8.496
  207   1HG   LYS  27          2HG       LYS  27  -7.921   8.181   9.639
  208   2HG   LYS  27          1HG       LYS  27  -6.474   7.184   9.489
  209   1HD   LYS  27          2HD       LYS  27  -5.327   8.390  11.032
  210   2HD   LYS  27          1HD       LYS  27  -6.104   9.909  10.580
  211   1HE   LYS  27          2HE       LYS  27  -7.755   7.801  11.876
  212   2HE   LYS  27          1HE       LYS  27  -6.629   8.712  12.882
  213   1HZ   LYS  27          1HZ       LYS  27  -8.365  10.227  11.084
  214   2HZ   LYS  27          2HZ       LYS  27  -7.808  10.620  12.632
  215   3HZ   LYS  27          3HZ       LYS  27  -9.084   9.524  12.446
  216    H    SER  28           H        SER  28  -7.519  11.168   6.468
  217    HA   SER  28           HA       SER  28  -9.685  12.107   7.958
  218   1HB   SER  28          2HB       SER  28  -7.965  13.118   5.839
  219   2HB   SER  28          1HB       SER  28  -9.613  13.728   5.693
  220    HG   SER  28           HG       SER  28  -9.322  14.895   7.418
  221    H    LYS  29           H        LYS  29  -9.563  11.126   4.548
  222    HA   LYS  29           HA       LYS  29 -12.217  11.632   3.904
  223   1HB   LYS  29          2HB       LYS  29 -10.006  10.077   2.742
  224   2HB   LYS  29          1HB       LYS  29 -11.614   9.573   2.236
  225   1HG   LYS  29          2HG       LYS  29 -11.778  12.278   1.980
  226   2HG   LYS  29          1HG       LYS  29 -10.091  11.977   1.560
  227   1HD   LYS  29          2HD       LYS  29 -11.072  11.702  -0.491
  228   2HD   LYS  29          1HD       LYS  29 -11.157  10.046   0.115
  229   1HE   LYS  29          2HE       LYS  29 -13.384  12.024   0.501
  230   2HE   LYS  29          1HE       LYS  29 -13.272  10.992  -0.925
  231   1HZ   LYS  29          1HZ       LYS  29 -14.668   9.925   0.658
  232   2HZ   LYS  29          2HZ       LYS  29 -13.536  10.121   1.899
  233   3HZ   LYS  29          3HZ       LYS  29 -13.211   9.065   0.618
  234    H    ILE  30           H        ILE  30 -11.290   9.455   6.200
  235    HA   ILE  30           HA       ILE  30 -13.301   7.442   5.597
  236    HB   ILE  30           HB       ILE  30 -11.810   7.714   8.194
  237   1HG1  ILE  30          2HG1      ILE  30 -10.842   6.238   5.740
  238   2HG1  ILE  30          1HG1      ILE  30 -10.197   7.781   6.292
  239   1HG2  ILE  30          1HG2      ILE  30 -13.796   6.036   7.498
  240   2HG2  ILE  30          2HG2      ILE  30 -12.536   5.640   8.667
  241   3HG2  ILE  30          3HG2      ILE  30 -12.394   5.091   6.996
  242   1HD1  ILE  30          1HD1      ILE  30  -9.151   6.848   8.098
  243   2HD1  ILE  30          2HD1      ILE  30  -9.025   5.542   6.919
  244   3HD1  ILE  30          3HD1      ILE  30 -10.266   5.488   8.170
  245    H    GLN  31           H        GLN  31 -14.030  10.302   6.047
  246    HA   GLN  31           HA       GLN  31 -15.416  10.251   8.610
  247   1HB   GLN  31          2HB       GLN  31 -14.570  12.287   6.701
  248   2HB   GLN  31          1HB       GLN  31 -16.212  12.546   7.273
  249   1HG   GLN  31          2HG       GLN  31 -14.506  11.883   9.478
  250   2HG   GLN  31          1HG       GLN  31 -13.813  13.214   8.552
  251   1HE2  GLN  31          1HE2      GLN  31 -14.998  13.168  11.232
  252   2HE2  GLN  31          2HE2      GLN  31 -16.271  14.336  11.204
  253    H    ALA  32           H        ALA  32 -16.139   8.512   6.214
  254    HA   ALA  32           HA       ALA  32 -18.963   9.331   6.003
  255   1HB   ALA  32          1HB       ALA  32 -19.063   8.645   3.819
  256   2HB   ALA  32          2HB       ALA  32 -17.742   7.490   4.003
  257   3HB   ALA  32          3HB       ALA  32 -17.396   9.215   3.899
  258    H    ALA  33           H        ALA  33 -17.145   6.310   5.421
  259    HA   ALA  33           HA       ALA  33 -18.660   4.975   7.524
  260   1HB   ALA  33          1HB       ALA  33 -19.707   3.386   6.190
  261   2HB   ALA  33          2HB       ALA  33 -18.680   3.731   4.799
  262   3HB   ALA  33          3HB       ALA  33 -19.924   4.883   5.284
  263    HA   PRO  34           HA       PRO  34 -14.356   3.444   7.443
  264   1HB   PRO  34          2HB       PRO  34 -14.264   2.870  10.107
  265   2HB   PRO  34          1HB       PRO  34 -13.929   4.469   9.440
  266   1HG   PRO  34          2HG       PRO  34 -16.389   3.451  10.775
  267   2HG   PRO  34          1HG       PRO  34 -15.649   5.056  10.851
  268   1HD   PRO  34          2HD       PRO  34 -17.843   4.443   9.324
  269   2HD   PRO  34          1HD       PRO  34 -16.723   5.772   8.973
  270    H    GLY  35           H        GLY  35 -16.036   1.754  10.057
  271   1HA   GLY  35          2HA       GLY  35 -17.012  -0.400   9.978
  272   2HA   GLY  35          1HA       GLY  35 -16.300  -0.636   8.389
  273    H    ILE  36           H        ILE  36 -13.727  -0.317   8.619
  274    HA   ILE  36           HA       ILE  36 -12.829  -2.054  10.820
  275    HB   ILE  36           HB       ILE  36 -11.140  -2.987   9.215
  276   1HG1  ILE  36          2HG1      ILE  36 -11.440  -1.098   7.548
  277   2HG1  ILE  36          1HG1      ILE  36 -11.387  -2.718   6.864
  278   1HG2  ILE  36          1HG2      ILE  36 -13.795  -3.703   9.663
  279   2HG2  ILE  36          2HG2      ILE  36 -12.497  -4.736   9.069
  280   3HG2  ILE  36          3HG2      ILE  36 -13.550  -3.901   7.928
  281   1HD1  ILE  36          1HD1      ILE  36 -13.268  -2.250   5.801
  282   2HD1  ILE  36          2HD1      ILE  36 -13.424  -0.717   6.658
  283   3HD1  ILE  36          3HD1      ILE  36 -14.089  -2.191   7.361
  284    HA   PRO  37           HA       PRO  37  -9.700   0.921  11.668
  285   1HB   PRO  37          2HB       PRO  37  -7.444  -0.592  12.025
  286   2HB   PRO  37          1HB       PRO  37  -8.729  -0.441  13.228
  287   1HG   PRO  37          2HG       PRO  37  -8.254  -2.620  11.230
  288   2HG   PRO  37          1HG       PRO  37  -8.715  -2.749  12.939
  289   1HD   PRO  37          2HD       PRO  37 -10.523  -3.025  10.975
  290   2HD   PRO  37          1HD       PRO  37 -10.934  -2.231  12.509
  291    HA   PRO  38           HA       PRO  38  -8.111   1.448   7.480
  292   1HB   PRO  38          2HB       PRO  38  -7.801   4.115   7.648
  293   2HB   PRO  38          1HB       PRO  38  -9.394   3.367   7.474
  294   1HG   PRO  38          2HG       PRO  38  -8.031   4.357   9.957
  295   2HG   PRO  38          1HG       PRO  38  -9.699   4.625   9.428
  296   1HD   PRO  38          2HD       PRO  38  -9.046   2.752  11.253
  297   2HD   PRO  38          1HD       PRO  38 -10.390   2.541  10.113
  298    H    ASP  39           H        ASP  39  -6.531   2.082  10.495
  299    HA   ASP  39           HA       ASP  39  -4.093   3.081   9.367
  300   1HB   ASP  39          2HB       ASP  39  -5.223   2.802  11.974
  301   2HB   ASP  39          1HB       ASP  39  -3.660   1.990  11.968
  302    H    GLN  40           H        GLN  40  -5.507   0.102   9.312
  303    HA   GLN  40           HA       GLN  40  -3.001  -1.380   9.543
  304   1HB   GLN  40          2HB       GLN  40  -5.248  -2.096  10.614
  305   2HB   GLN  40          1HB       GLN  40  -5.690  -2.598   8.989
  306   1HG   GLN  40          2HG       GLN  40  -3.790  -4.106   8.918
  307   2HG   GLN  40          1HG       GLN  40  -3.296  -3.579  10.526
  308   1HE2  GLN  40          1HE2      GLN  40  -3.519  -6.092  10.511
  309   2HE2  GLN  40          2HE2      GLN  40  -5.017  -6.681  11.138
  310    H    GLN  41           H        GLN  41  -4.720   0.238   7.195
  311    HA   GLN  41           HA       GLN  41  -4.070  -1.688   5.095
  312   1HB   GLN  41          2HB       GLN  41  -6.041   0.404   5.411
  313   2HB   GLN  41          1HB       GLN  41  -5.151   0.615   3.910
  314   1HG   GLN  41          2HG       GLN  41  -6.318  -0.992   2.945
  315   2HG   GLN  41          1HG       GLN  41  -5.845  -2.137   4.199
  316   1HE2  GLN  41          1HE2      GLN  41  -7.327  -2.810   5.615
  317   2HE2  GLN  41          2HE2      GLN  41  -8.940  -2.200   5.729
  318    H    GLU  42           H        GLU  42  -2.423  -1.524   3.814
  319    HA   GLU  42           HA       GLU  42  -1.096   0.978   3.238
  320   1HB   GLU  42          2HB       GLU  42   0.258  -1.226   4.782
  321   2HB   GLU  42          1HB       GLU  42   1.163  -0.056   3.836
  322   1HG   GLU  42          2HG       GLU  42   1.129   1.347   5.534
  323   2HG   GLU  42          1HG       GLU  42  -0.630   1.388   5.474
  324    H    LEU  43           H        LEU  43   0.496   0.766   1.492
  325    HA   LEU  43           HA       LEU  43  -0.137  -1.487  -0.272
  326   1HB   LEU  43          2HB       LEU  43   0.655   1.285  -0.647
  327   2HB   LEU  43          1HB       LEU  43   1.695   0.200  -1.549
  328    HG   LEU  43           HG       LEU  43  -1.168  -0.345  -1.863
  329   1HD1  LEU  43          1HD1      LEU  43  -1.462   1.981  -1.777
  330   2HD1  LEU  43          2HD1      LEU  43  -1.344   1.601  -3.490
  331   3HD1  LEU  43          3HD1      LEU  43   0.040   2.287  -2.648
  332   1HD2  LEU  43          1HD2      LEU  43  -0.546  -0.722  -4.119
  333   2HD2  LEU  43          2HD2      LEU  43   0.761  -1.376  -3.133
  334   3HD2  LEU  43          3HD2      LEU  43   0.955   0.185  -3.933
  335    H    ILE  44           H        ILE  44   1.432  -2.952  -0.897
  336    HA   ILE  44           HA       ILE  44   4.159  -2.515   0.031
  337    HB   ILE  44           HB       ILE  44   4.216  -4.859   0.985
  338   1HG1  ILE  44          2HG1      ILE  44   1.656  -5.123   1.959
  339   2HG1  ILE  44          1HG1      ILE  44   1.381  -4.611   0.300
  340   1HG2  ILE  44          1HG2      ILE  44   3.282  -2.389   2.152
  341   2HG2  ILE  44          2HG2      ILE  44   4.382  -3.598   2.807
  342   3HG2  ILE  44          3HG2      ILE  44   2.641  -3.788   3.010
  343   1HD1  ILE  44          1HD1      ILE  44   3.317  -6.536   0.039
  344   2HD1  ILE  44          2HD1      ILE  44   1.588  -6.754  -0.229
  345   3HD1  ILE  44          3HD1      ILE  44   2.298  -7.158   1.335
  346    H    PHE  45           H        PHE  45   5.664  -3.320  -1.312
  347    HA   PHE  45           HA       PHE  45   4.761  -4.819  -3.635
  348   1HB   PHE  45          2HB       PHE  45   7.316  -3.463  -2.881
  349   2HB   PHE  45          1HB       PHE  45   7.296  -4.634  -4.192
  350    HD1  PHE  45           1HD      PHE  45   6.483  -1.284  -3.161
  351    HD2  PHE  45           2HD      PHE  45   5.879  -4.210  -6.188
  352    HE1  PHE  45           1HE      PHE  45   5.718   0.474  -4.702
  353    HE2  PHE  45           2HE      PHE  45   5.114  -2.459  -7.736
  354    HZ   PHE  45           HZ       PHE  45   5.034  -0.112  -6.993
  355    H    ALA  46           H        ALA  46   4.891  -5.976  -0.847
  356    HA   ALA  46           HA       ALA  46   5.332  -8.016   0.074
  357   1HB   ALA  46          1HB       ALA  46   6.656  -9.543  -1.805
  358   2HB   ALA  46          2HB       ALA  46   5.655  -8.475  -2.789
  359   3HB   ALA  46          3HB       ALA  46   4.911  -9.493  -1.557
  360    H    GLY  47           H        GLY  47   7.998  -7.337  -2.196
  361   1HA   GLY  47          2HA       GLY  47   9.920  -7.839  -0.035
  362   2HA   GLY  47          1HA       GLY  47  10.293  -7.751  -1.754
  363    H    LYS  48           H        LYS  48   8.338  -5.251  -1.611
  364    HA   LYS  48           HA       LYS  48  10.376  -3.390  -0.549
  365   1HB   LYS  48          2HB       LYS  48   9.517  -3.652  -3.227
  366   2HB   LYS  48          1HB       LYS  48   8.767  -2.184  -2.617
  367   1HG   LYS  48          2HG       LYS  48  11.141  -1.599  -1.780
  368   2HG   LYS  48          1HG       LYS  48  11.666  -2.829  -2.933
  369   1HD   LYS  48          2HD       LYS  48   9.882  -1.354  -4.406
  370   2HD   LYS  48          1HD       LYS  48  10.650  -0.127  -3.398
  371   1HE   LYS  48          2HE       LYS  48  12.843  -1.399  -4.148
  372   2HE   LYS  48          1HE       LYS  48  11.819  -1.872  -5.503
  373   1HZ   LYS  48          1HZ       LYS  48  12.244   0.938  -4.645
  374   2HZ   LYS  48          2HZ       LYS  48  11.439   0.409  -6.037
  375   3HZ   LYS  48          3HZ       LYS  48  13.109   0.186  -5.891
  376    H    GLN  49           H        GLN  49   9.524  -2.535   1.250
  377    HA   GLN  49           HA       GLN  49   6.640  -2.160   1.456
  378   1HB   GLN  49          2HB       GLN  49   8.798  -1.723   3.527
  379   2HB   GLN  49          1HB       GLN  49   7.063  -1.707   3.814
  380   1HG   GLN  49          2HG       GLN  49   6.865  -3.992   3.574
  381   2HG   GLN  49          1HG       GLN  49   8.353  -4.126   2.638
  382   1HE2  GLN  49          1HE2      GLN  49   7.081  -3.462   5.855
  383   2HE2  GLN  49          2HE2      GLN  49   8.463  -4.032   6.719
  384    H    LEU  50           H        LEU  50   5.624  -0.197   1.690
  385    HA   LEU  50           HA       LEU  50   7.138   2.097   0.775
  386   1HB   LEU  50          2HB       LEU  50   4.210   1.996   1.454
  387   2HB   LEU  50          1HB       LEU  50   5.039   3.183   0.467
  388    HG   LEU  50           HG       LEU  50   4.375   0.334  -0.232
  389   1HD1  LEU  50          1HD1      LEU  50   2.567   1.680  -0.746
  390   2HD1  LEU  50          2HD1      LEU  50   3.464   1.651  -2.264
  391   3HD1  LEU  50          3HD1      LEU  50   3.577   3.049  -1.195
  392   1HD2  LEU  50          1HD2      LEU  50   5.934   0.231  -1.834
  393   2HD2  LEU  50          2HD2      LEU  50   6.760   1.489  -0.918
  394   3HD2  LEU  50          3HD2      LEU  50   5.727   1.925  -2.276
  395    H    GLU  51           H        GLU  51   6.893   4.178   1.736
  396    HA   GLU  51           HA       GLU  51   7.078   4.036   4.660
  397   1HB   GLU  51          2HB       GLU  51   8.521   5.417   2.651
  398   2HB   GLU  51          1HB       GLU  51   7.693   6.632   3.613
  399   1HG   GLU  51          2HG       GLU  51   8.781   5.997   5.572
  400   2HG   GLU  51          1HG       GLU  51   9.283   4.448   4.897
  401    H    ASP  52           H        ASP  52   5.782   5.204   6.011
  402    HA   ASP  52           HA       ASP  52   3.196   5.911   5.149
  403   1HB   ASP  52          2HB       ASP  52   4.709   5.942   7.667
  404   2HB   ASP  52          1HB       ASP  52   3.479   7.198   7.564
  405    H    GLY  53           H        GLY  53   6.123   7.787   5.636
  406   1HA   GLY  53          2HA       GLY  53   4.779  10.334   5.300
  407   2HA   GLY  53          1HA       GLY  53   6.508  10.077   5.467
  408    H    ARG  54           H        ARG  54   4.891   8.166   3.081
  409    HA   ARG  54           HA       ARG  54   6.233   9.745   1.018
  410   1HB   ARG  54          2HB       ARG  54   5.238   6.916   1.119
  411   2HB   ARG  54          1HB       ARG  54   5.587   7.693  -0.419
  412   1HG   ARG  54          2HG       ARG  54   7.549   7.368   1.837
  413   2HG   ARG  54          1HG       ARG  54   7.458   6.341   0.406
  414   1HD   ARG  54          2HD       ARG  54   8.697   7.777  -0.747
  415   2HD   ARG  54          1HD       ARG  54   7.565   9.082  -0.403
  416    HE   ARG  54           HE       ARG  54   9.859   8.353   1.301
  417   1HH1  ARG  54          1HH1      ARG  54   7.601  10.731   0.079
  418   2HH1  ARG  54          2HH1      ARG  54   8.329  12.038   0.946
  419   1HH2  ARG  54          1HH2      ARG  54  10.809  10.078   2.426
  420   2HH2  ARG  54          2HH2      ARG  54  10.147  11.671   2.272
  421    H    THR  55           H        THR  55   5.186  10.731  -0.637
  422    HA   THR  55           HA       THR  55   2.287  10.877  -0.394
  423    HB   THR  55           HB       THR  55   2.405  12.874  -1.722
  424    HG1  THR  55           1HG      THR  55   5.183  12.531  -2.049
  425   1HG2  THR  55          1HG2      THR  55   3.131  14.097  -0.036
  426   2HG2  THR  55          2HG2      THR  55   4.800  13.642  -0.376
  427   3HG2  THR  55          3HG2      THR  55   3.813  12.643   0.692
  428    H    LEU  56           H        LEU  56   1.144  11.215  -2.640
  429    HA   LEU  56           HA       LEU  56   1.266   8.762  -3.975
  430   1HB   LEU  56          2HB       LEU  56  -0.564  10.663  -3.877
  431   2HB   LEU  56          1HB       LEU  56   0.200  11.168  -5.372
  432    HG   LEU  56           HG       LEU  56  -0.226   8.387  -5.600
  433   1HD1  LEU  56          1HD1      LEU  56  -2.532   8.068  -5.169
  434   2HD1  LEU  56          2HD1      LEU  56  -2.765   9.771  -4.778
  435   3HD1  LEU  56          3HD1      LEU  56  -1.829   8.738  -3.698
  436   1HD2  LEU  56          1HD2      LEU  56  -0.850   9.064  -7.617
  437   2HD2  LEU  56          2HD2      LEU  56  -0.590  10.720  -7.074
  438   3HD2  LEU  56          3HD2      LEU  56  -2.193   9.998  -6.964
  439    H    SER  57           H        SER  57   2.328  11.967  -5.121
  440    HA   SER  57           HA       SER  57   3.441  11.160  -7.541
  441   1HB   SER  57          2HB       SER  57   4.203  13.447  -5.716
  442   2HB   SER  57          1HB       SER  57   4.835  13.248  -7.351
  443    HG   SER  57           HG       SER  57   2.347  14.080  -6.503
  444    H    ASP  58           H        ASP  58   4.719  10.954  -4.318
  445    HA   ASP  58           HA       ASP  58   7.445  10.551  -4.997
  446   1HB   ASP  58          2HB       ASP  58   6.052  10.898  -2.652
  447   2HB   ASP  58          1HB       ASP  58   6.537   9.208  -2.553
  448    H    TYR  59           H        TYR  59   4.665   8.469  -4.957
  449    HA   TYR  59           HA       TYR  59   6.342   6.295  -5.976
  450   1HB   TYR  59          2HB       TYR  59   4.724   6.239  -3.494
  451   2HB   TYR  59          1HB       TYR  59   4.568   4.832  -4.542
  452    HD1  TYR  59           1HD      TYR  59   6.895   6.800  -2.471
  453    HD2  TYR  59           2HD      TYR  59   6.403   3.295  -4.836
  454    HE1  TYR  59           1HE      TYR  59   9.010   5.909  -1.584
  455    HE2  TYR  59           2HE      TYR  59   8.513   2.396  -3.952
  456    HH   TYR  59           HH       TYR  59  10.421   4.181  -1.548
  457    H    ASN  60           H        ASN  60   4.601   8.164  -7.265
  458    HA   ASN  60           HA       ASN  60   2.162   6.816  -7.988
  459   1HB   ASN  60          2HB       ASN  60   2.415   9.339  -7.882
  460   2HB   ASN  60          1HB       ASN  60   3.417   9.224  -9.324
  461   1HD2  ASN  60          1HD2      ASN  60   2.322   7.868 -11.124
  462   2HD2  ASN  60          2HD2      ASN  60   0.665   8.241 -11.422
  463    H    ILE  61           H        ILE  61   2.566   4.990  -9.071
  464    HA   ILE  61           HA       ILE  61   4.613   4.778 -11.085
  465    HB   ILE  61           HB       ILE  61   2.366   2.814 -10.634
  466   1HG1  ILE  61          2HG1      ILE  61   4.549   1.778  -9.333
  467   2HG1  ILE  61          1HG1      ILE  61   4.678   3.488  -8.941
  468   1HG2  ILE  61          1HG2      ILE  61   3.438   2.146 -12.556
  469   2HG2  ILE  61          2HG2      ILE  61   4.385   1.292 -11.337
  470   3HG2  ILE  61          3HG2      ILE  61   4.995   2.791 -12.037
  471   1HD1  ILE  61          1HD1      ILE  61   2.424   1.607  -8.325
  472   2HD1  ILE  61          2HD1      ILE  61   2.268   3.357  -8.195
  473   3HD1  ILE  61          3HD1      ILE  61   3.447   2.503  -7.203
  474    H    GLN  62           H        GLN  62   4.140   4.146 -13.316
  475    HA   GLN  62           HA       GLN  62   2.371   5.980 -14.541
  476   1HB   GLN  62          2HB       GLN  62   3.808   3.606 -15.733
  477   2HB   GLN  62          1HB       GLN  62   3.026   4.883 -16.652
  478   1HG   GLN  62          2HG       GLN  62   5.088   5.753 -16.708
  479   2HG   GLN  62          1HG       GLN  62   4.664   6.354 -15.106
  480   1HE2  GLN  62          1HE2      GLN  62   5.859   5.741 -13.418
  481   2HE2  GLN  62          2HE2      GLN  62   7.102   4.542 -13.463
  482    H    LYS  63           H        LYS  63   1.051   4.980 -16.511
  483    HA   LYS  63           HA       LYS  63  -1.290   3.871 -15.384
  484   1HB   LYS  63          2HB       LYS  63  -2.116   3.727 -17.693
  485   2HB   LYS  63          1HB       LYS  63  -1.362   5.283 -17.377
  486   1HG   LYS  63          2HG       LYS  63  -0.228   4.952 -19.259
  487   2HG   LYS  63          1HG       LYS  63   0.720   3.770 -18.355
  488   1HD   LYS  63          2HD       LYS  63  -0.245   2.013 -19.395
  489   2HD   LYS  63          1HD       LYS  63  -1.836   2.778 -19.429
  490   1HE   LYS  63          2HE       LYS  63  -1.550   3.392 -21.545
  491   2HE   LYS  63          1HE       LYS  63  -0.034   4.200 -21.149
  492   1HZ   LYS  63          1HZ       LYS  63   0.324   2.493 -22.797
  493   2HZ   LYS  63          2HZ       LYS  63  -0.364   1.319 -21.794
  494   3HZ   LYS  63          3HZ       LYS  63   1.094   2.055 -21.357
  495    H    GLU  64           H        GLU  64  -2.073   1.833 -15.277
  496    HA   GLU  64           HA       GLU  64  -2.239  -0.440 -15.524
  497   1HB   GLU  64          2HB       GLU  64  -0.774   0.259 -17.825
  498   2HB   GLU  64          1HB       GLU  64   0.152  -1.023 -17.058
  499   1HG   GLU  64          2HG       GLU  64  -1.666  -2.530 -17.177
  500   2HG   GLU  64          1HG       GLU  64  -2.790  -1.245 -17.619
  501    H    SER  65           H        SER  65  -1.740  -0.539 -13.346
  502    HA   SER  65           HA       SER  65   0.725  -1.889 -12.729
  503   1HB   SER  65          2HB       SER  65   0.127   0.837 -11.563
  504   2HB   SER  65          1HB       SER  65   1.285  -0.292 -10.854
  505    HG   SER  65           HG       SER  65   2.552  -0.102 -12.652
  506    H    THR  66           H        THR  66   0.166  -3.506 -11.456
  507    HA   THR  66           HA       THR  66  -2.376  -3.632 -10.169
  508    HB   THR  66           HB       THR  66  -0.075  -5.459  -9.534
  509    HG1  THR  66           1HG      THR  66  -1.140  -5.045 -11.976
  510   1HG2  THR  66          1HG2      THR  66  -1.983  -5.986  -8.260
  511   2HG2  THR  66          2HG2      THR  66  -1.912  -7.165  -9.571
  512   3HG2  THR  66          3HG2      THR  66  -3.048  -5.818  -9.655
  513    H    LEU  67           H        LEU  67  -2.927  -3.418  -8.031
  514    HA   LEU  67           HA       LEU  67  -0.764  -2.513  -6.257
  515   1HB   LEU  67          2HB       LEU  67  -3.482  -1.390  -6.734
  516   2HB   LEU  67          1HB       LEU  67  -2.782  -1.250  -5.132
  517    HG   LEU  67           HG       LEU  67  -0.714  -0.328  -6.548
  518   1HD1  LEU  67          1HD1      LEU  67  -1.314  -0.228  -8.715
  519   2HD1  LEU  67          2HD1      LEU  67  -2.088   1.275  -8.217
  520   3HD1  LEU  67          3HD1      LEU  67  -3.039  -0.204  -8.349
  521   1HD2  LEU  67          1HD2      LEU  67  -2.109   1.966  -6.328
  522   2HD2  LEU  67          2HD2      LEU  67  -1.328   1.149  -4.978
  523   3HD2  LEU  67          3HD2      LEU  67  -3.050   0.916  -5.269
  524    H    HIS  68           H        HIS  68  -0.555  -3.573  -4.363
  525    HA   HIS  68           HA       HIS  68  -2.776  -5.327  -3.545
  526   1HB   HIS  68          2HB       HIS  68  -0.121  -6.024  -4.279
  527   2HB   HIS  68          1HB       HIS  68  -0.286  -6.313  -2.549
  528    HD1  HIS  68           1HD      HIS  68  -1.936  -8.152  -1.808
  529    HD2  HIS  68           2HD      HIS  68  -1.658  -7.687  -5.927
  530    HE1  HIS  68           1HE      HIS  68  -3.098 -10.154  -2.790
  531    HE2  HIS  68           2HE      HIS  68  -2.997  -9.804  -5.283
  532    H    LEU  69           H        LEU  69  -3.568  -4.924  -1.560
  533    HA   LEU  69           HA       LEU  69  -1.783  -3.566   0.362
  534   1HB   LEU  69          2HB       LEU  69  -4.630  -3.025  -0.354
  535   2HB   LEU  69          1HB       LEU  69  -4.113  -2.745   1.297
  536    HG   LEU  69           HG       LEU  69  -2.166  -1.434  -0.092
  537   1HD1  LEU  69          1HD1      LEU  69  -3.657  -1.969  -2.153
  538   2HD1  LEU  69          2HD1      LEU  69  -2.973  -0.356  -1.964
  539   3HD1  LEU  69          3HD1      LEU  69  -4.657  -0.652  -1.541
  540   1HD2  LEU  69          1HD2      LEU  69  -3.992   0.543   0.300
  541   2HD2  LEU  69          2HD2      LEU  69  -2.954  -0.132   1.557
  542   3HD2  LEU  69          3HD2      LEU  69  -4.605  -0.721   1.369
  543    H    VAL  70           H        VAL  70  -1.338  -4.754   2.060
  544    HA   VAL  70           HA       VAL  70  -3.270  -6.791   2.946
  545    HB   VAL  70           HB       VAL  70  -1.284  -7.939   3.993
  546   1HG1  VAL  70          1HG1      VAL  70  -2.304  -8.781   1.964
  547   2HG1  VAL  70          2HG1      VAL  70  -0.553  -8.964   1.876
  548   3HG1  VAL  70          3HG1      VAL  70  -1.349  -7.663   0.990
  549   1HG2  VAL  70          1HG2      VAL  70   0.283  -6.149   2.155
  550   2HG2  VAL  70          2HG2      VAL  70   0.922  -7.409   3.207
  551   3HG2  VAL  70          3HG2      VAL  70   0.207  -5.956   3.904
  552    H    LEU  71           H        LEU  71  -3.295  -7.267   5.279
  553    HA   LEU  71           HA       LEU  71  -2.781  -4.807   6.825
  554   1HB   LEU  71          2HB       LEU  71  -4.949  -6.850   6.903
  555   2HB   LEU  71          1HB       LEU  71  -4.532  -6.011   8.382
  556    HG   LEU  71           HG       LEU  71  -4.944  -3.849   7.194
  557   1HD1  LEU  71          1HD1      LEU  71  -6.638  -4.600   5.145
  558   2HD1  LEU  71          2HD1      LEU  71  -5.250  -5.671   4.960
  559   3HD1  LEU  71          3HD1      LEU  71  -5.019  -3.924   4.970
  560   1HD2  LEU  71          1HD2      LEU  71  -6.994  -5.898   7.798
  561   2HD2  LEU  71          2HD2      LEU  71  -7.527  -4.436   6.966
  562   3HD2  LEU  71          3HD2      LEU  71  -6.718  -4.317   8.529
  563    H    ARG  72           H        ARG  72  -0.699  -5.292   7.486
  564    HA   ARG  72           HA       ARG  72  -0.297  -7.701   9.110
  565   1HB   ARG  72          2HB       ARG  72   1.563  -5.732   7.806
  566   2HB   ARG  72          1HB       ARG  72   2.130  -6.749   9.122
  567   1HG   ARG  72          2HG       ARG  72   0.919  -7.762   6.559
  568   2HG   ARG  72          1HG       ARG  72   2.647  -7.671   6.904
  569   1HD   ARG  72          2HD       ARG  72   2.559  -9.366   8.471
  570   2HD   ARG  72          1HD       ARG  72   0.841  -9.128   8.781
  571    HE   ARG  72           HE       ARG  72   1.683 -10.163   6.175
  572   1HH1  ARG  72          1HH1      ARG  72   0.102 -10.700   9.248
  573   2HH1  ARG  72          2HH1      ARG  72  -0.656 -12.168   8.735
  574   1HH2  ARG  72          1HH2      ARG  72   0.684 -12.085   5.511
  575   2HH2  ARG  72          2HH2      ARG  72  -0.326 -12.955   6.615
  576    H    LEU  73           H        LEU  73   0.006  -7.609  11.299
  577    HA   LEU  73           HA       LEU  73  -0.326  -4.970  12.541
  578   1HB   LEU  73          2HB       LEU  73  -1.890  -6.920  13.046
  579   2HB   LEU  73          1HB       LEU  73  -0.545  -7.639  13.913
  580    HG   LEU  73           HG       LEU  73  -0.601  -5.169  15.039
  581   1HD1  LEU  73          1HD1      LEU  73  -3.282  -5.721  13.922
  582   2HD1  LEU  73          2HD1      LEU  73  -2.486  -4.184  14.269
  583   3HD1  LEU  73          3HD1      LEU  73  -3.213  -5.116  15.579
  584   1HD2  LEU  73          1HD2      LEU  73  -0.855  -7.711  15.877
  585   2HD2  LEU  73          2HD2      LEU  73  -2.470  -7.104  16.239
  586   3HD2  LEU  73          3HD2      LEU  73  -1.053  -6.309  16.928
  587    H    ARG  74           H        ARG  74   1.093  -4.215  14.112
  588    HA   ARG  74           HA       ARG  74   3.390  -5.845  14.821
  589   1HB   ARG  74          2HB       ARG  74   3.626  -3.240  13.320
  590   2HB   ARG  74          1HB       ARG  74   4.965  -3.980  14.190
  591   1HG   ARG  74          2HG       ARG  74   4.996  -5.849  12.744
  592   2HG   ARG  74          1HG       ARG  74   3.450  -5.402  12.020
  593   1HD   ARG  74          2HD       ARG  74   4.850  -3.173  11.498
  594   2HD   ARG  74          1HD       ARG  74   6.164  -4.349  11.516
  595    HE   ARG  74           HE       ARG  74   3.786  -4.781   9.842
  596   1HH1  ARG  74          1HH1      ARG  74   7.248  -4.366  10.135
  597   2HH1  ARG  74          2HH1      ARG  74   7.559  -4.829   8.499
  598   1HH2  ARG  74          1HH2      ARG  74   4.206  -5.384   7.697
  599   2HH2  ARG  74          2HH2      ARG  74   5.838  -5.403   7.114
  600    H    GLY  75           H        GLY  75   1.023  -4.291  16.029
  601   1HA   GLY  75          2HA       GLY  75   2.278  -2.325  17.714
  602   2HA   GLY  75          1HA       GLY  75   0.617  -2.886  17.824
  603    H    GLY  76           H        GLY  76   3.723  -4.612  18.089
  604   1HA   GLY  76          2HA       GLY  76   4.640  -5.269  20.228
  605   2HA   GLY  76          1HA       GLY  76   3.003  -5.302  20.866
  606    H    HIS  77           H        HIS  77   2.630  -7.355  21.456
  607    HA   HIS  77           HA       HIS  77   2.666  -9.404  19.406
  608   1HB   HIS  77          2HB       HIS  77   4.526  -9.397  21.748
  609   2HB   HIS  77          1HB       HIS  77   3.871 -10.931  21.188
  610    HD1  HIS  77           1HD      HIS  77   4.001 -10.470  18.150
  611    HD2  HIS  77           2HD      HIS  77   7.072  -9.538  20.789
  612    HE1  HIS  77           1HE      HIS  77   6.097 -10.452  16.762
  613    HE2  HIS  77           2HE      HIS  77   7.936  -9.829  18.368
  614    H    HIS  78           H        HIS  78   1.604 -11.402  20.114
  615    HA   HIS  78           HA       HIS  78  -0.431 -10.828  22.155
  616   1HB   HIS  78          2HB       HIS  78  -0.564 -13.005  20.070
  617   2HB   HIS  78          1HB       HIS  78  -1.882 -12.339  21.028
  618    HD1  HIS  78           1HD      HIS  78  -3.368 -11.088  19.516
  619    HD2  HIS  78           2HD      HIS  78   0.634 -10.516  18.561
  620    HE1  HIS  78           1HE      HIS  78  -3.359  -9.438  17.620
  621    HE2  HIS  78           2HE      HIS  78  -0.923  -9.055  17.107
  622    H    HIS  79           H        HIS  79  -0.638 -12.068  23.922
  623    HA   HIS  79           HA       HIS  79   1.438 -13.978  24.493
  624   1HB   HIS  79          2HB       HIS  79  -0.221 -12.286  26.010
  625   2HB   HIS  79          1HB       HIS  79  -0.659 -13.926  26.478
  626    HD1  HIS  79           1HD      HIS  79   2.813 -12.691  25.603
  627    HD2  HIS  79           2HD      HIS  79   0.668 -14.110  28.866
  628    HE1  HIS  79           1HE      HIS  79   4.503 -12.983  27.442
  629    HE2  HIS  79           2HE      HIS  79   3.195 -13.918  29.381
  630    H    HIS  80           H        HIS  80   1.310 -16.137  24.483
  631    HA   HIS  80           HA       HIS  80  -0.972 -17.378  23.255
  632   1HB   HIS  80          2HB       HIS  80   1.618 -17.952  23.122
  633   2HB   HIS  80          1HB       HIS  80   1.213 -18.994  24.482
  634    HD1  HIS  80           1HD      HIS  80   1.724 -21.067  22.979
  635    HD2  HIS  80           2HD      HIS  80  -1.448 -18.717  21.682
  636    HE1  HIS  80           1HE      HIS  80   0.506 -22.461  21.280
  637    HE2  HIS  80           2HE      HIS  80  -1.455 -21.050  20.565
  638    H    HIS  81           H        HIS  81  -2.749 -17.619  24.466
  639    HA   HIS  81           HA       HIS  81  -2.661 -18.096  27.292
  640   1HB   HIS  81          2HB       HIS  81  -4.636 -17.367  25.339
  641   2HB   HIS  81          1HB       HIS  81  -5.240 -18.718  26.293
  642    HD1  HIS  81           1HD      HIS  81  -5.786 -15.383  26.306
  643    HD2  HIS  81           2HD      HIS  81  -4.233 -17.882  29.240
  644    HE1  HIS  81           1HE      HIS  81  -6.135 -14.167  28.480
  645    HE2  HIS  81           2HE      HIS  81  -5.143 -15.677  30.237
  646    H    HIS  82           H        HIS  82  -1.899 -20.034  27.969
  647    HA   HIS  82           HA       HIS  82  -2.440 -22.460  26.495
  648   1HB   HIS  82          2HB       HIS  82  -0.567 -21.613  28.515
  649   2HB   HIS  82          1HB       HIS  82  -1.347 -23.110  29.016
  650    HD1  HIS  82           1HD      HIS  82  -0.167 -25.130  28.234
  651    HD2  HIS  82           2HD      HIS  82   0.417 -21.917  25.664
  652    HE1  HIS  82           1HE      HIS  82   1.380 -25.975  26.439
  653    HE2  HIS  82           2HE      HIS  82   1.738 -24.007  24.907
  Start of MODEL   19
    1   1H    MET   1          1HT       MET   1  -8.238   6.819 -18.149
    2   2H    MET   1          2HT       MET   1  -8.753   7.481 -16.655
    3   3H    MET   1          3HT       MET   1  -9.562   6.121 -17.313
    4    HA   MET   1           HA       MET   1  -7.589   4.815 -17.078
    5   1HB   MET   1          2HB       MET   1  -5.690   5.766 -15.828
    6   2HB   MET   1          1HB       MET   1  -5.974   6.611 -17.344
    7   1HG   MET   1          2HG       MET   1  -7.466   8.087 -15.630
    8   2HG   MET   1          1HG       MET   1  -6.140   7.580 -14.589
    9   1HE   MET   1          1HE       MET   1  -4.906  10.149 -14.292
   10   2HE   MET   1          2HE       MET   1  -6.597  10.356 -14.758
   11   3HE   MET   1          3HE       MET   1  -5.337  11.285 -15.574
   12    H    GLN   2           H        GLN   2  -7.773   3.436 -15.428
   13    HA   GLN   2           HA       GLN   2  -8.442   4.325 -12.760
   14   1HB   GLN   2          2HB       GLN   2 -10.410   3.010 -14.565
   15   2HB   GLN   2          1HB       GLN   2 -10.369   2.479 -12.882
   16   1HG   GLN   2          2HG       GLN   2 -11.246   4.406 -12.115
   17   2HG   GLN   2          1HG       GLN   2 -10.415   5.386 -13.321
   18   1HE2  GLN   2          1HE2      GLN   2 -13.165   5.571 -12.481
   19   2HE2  GLN   2          2HE2      GLN   2 -14.133   5.302 -13.887
   20    H    ILE   3           H        ILE   3  -6.810   3.332 -11.790
   21    HA   ILE   3           HA       ILE   3  -5.784   0.797 -12.558
   22    HB   ILE   3           HB       ILE   3  -4.470   0.952 -10.408
   23   1HG1  ILE   3          2HG1      ILE   3  -4.601   3.454  -9.536
   24   2HG1  ILE   3          1HG1      ILE   3  -6.260   3.331 -10.116
   25   1HG2  ILE   3          1HG2      ILE   3  -4.416   2.794 -12.688
   26   2HG2  ILE   3          2HG2      ILE   3  -3.139   1.784 -12.011
   27   3HG2  ILE   3          3HG2      ILE   3  -3.513   3.344 -11.275
   28   1HD1  ILE   3          1HD1      ILE   3  -6.515   1.294  -8.695
   29   2HD1  ILE   3          2HD1      ILE   3  -6.249   2.793  -7.807
   30   3HD1  ILE   3          3HD1      ILE   3  -4.924   1.646  -8.021
   31    H    PHE   4           H        PHE   4  -5.443  -0.936 -10.815
   32    HA   PHE   4           HA       PHE   4  -8.039  -1.480  -9.519
   33   1HB   PHE   4          2HB       PHE   4  -6.357  -3.095 -11.288
   34   2HB   PHE   4          1HB       PHE   4  -6.802  -3.938  -9.803
   35    HD1  PHE   4           1HD      PHE   4  -7.868  -2.971 -13.057
   36    HD2  PHE   4           2HD      PHE   4  -9.270  -4.002  -9.178
   37    HE1  PHE   4           1HE      PHE   4 -10.071  -3.503 -14.007
   38    HE2  PHE   4           2HE      PHE   4 -11.481  -4.540 -10.114
   39    HZ   PHE   4           HZ       PHE   4 -11.887  -4.290 -12.530
   40    H    VAL   5           H        VAL   5  -8.074  -2.237  -7.475
   41    HA   VAL   5           HA       VAL   5  -5.505  -2.633  -6.115
   42    HB   VAL   5           HB       VAL   5  -6.466  -1.369  -4.130
   43   1HG1  VAL   5          1HG1      VAL   5  -6.062   0.894  -5.533
   44   2HG1  VAL   5          2HG1      VAL   5  -5.349  -0.290  -6.627
   45   3HG1  VAL   5          3HG1      VAL   5  -4.770  -0.161  -4.963
   46   1HG2  VAL   5          1HG2      VAL   5  -8.548  -0.846  -6.164
   47   2HG2  VAL   5          2HG2      VAL   5  -8.015   0.549  -5.220
   48   3HG2  VAL   5          3HG2      VAL   5  -8.651  -0.875  -4.404
   49    H    LYS   6           H        LYS   6  -5.463  -4.349  -4.826
   50    HA   LYS   6           HA       LYS   6  -7.926  -5.836  -4.428
   51   1HB   LYS   6          2HB       LYS   6  -5.088  -6.577  -3.690
   52   2HB   LYS   6          1HB       LYS   6  -6.473  -7.656  -3.680
   53   1HG   LYS   6          2HG       LYS   6  -6.649  -6.971  -6.197
   54   2HG   LYS   6          1HG       LYS   6  -4.942  -6.554  -5.978
   55   1HD   LYS   6          2HD       LYS   6  -4.684  -8.729  -6.578
   56   2HD   LYS   6          1HD       LYS   6  -4.925  -8.964  -4.846
   57   1HE   LYS   6          2HE       LYS   6  -6.472 -10.456  -5.587
   58   2HE   LYS   6          1HE       LYS   6  -7.475  -9.009  -5.618
   59   1HZ   LYS   6          1HZ       LYS   6  -7.851  -9.870  -7.681
   60   2HZ   LYS   6          2HZ       LYS   6  -6.288 -10.489  -7.855
   61   3HZ   LYS   6          3HZ       LYS   6  -6.565  -8.830  -8.035
   62    H    THR   7           H        THR   7  -9.020  -5.891  -2.615
   63    HA   THR   7           HA       THR   7  -8.026  -4.470  -0.270
   64    HB   THR   7           HB       THR   7 -10.718  -5.789  -0.556
   65    HG1  THR   7           1HG      THR   7  -9.734  -3.660  -1.934
   66   1HG2  THR   7          1HG2      THR   7 -11.478  -4.402   1.108
   67   2HG2  THR   7          2HG2      THR   7 -10.200  -3.215   0.840
   68   3HG2  THR   7          3HG2      THR   7  -9.835  -4.730   1.648
   69    H    LEU   8           H        LEU   8  -9.070  -5.658   1.883
   70    HA   LEU   8           HA       LEU   8  -7.422  -7.986   2.183
   71   1HB   LEU   8          2HB       LEU   8  -7.910  -6.200   3.946
   72   2HB   LEU   8          1HB       LEU   8  -9.463  -6.990   4.157
   73    HG   LEU   8           HG       LEU   8  -7.641  -9.071   4.362
   74   1HD1  LEU   8          1HD1      LEU   8  -6.006  -6.999   4.545
   75   2HD1  LEU   8          2HD1      LEU   8  -5.807  -8.431   5.555
   76   3HD1  LEU   8          3HD1      LEU   8  -6.588  -6.996   6.207
   77   1HD2  LEU   8          1HD2      LEU   8  -9.109  -7.416   6.393
   78   2HD2  LEU   8          2HD2      LEU   8  -8.176  -8.844   6.838
   79   3HD2  LEU   8          3HD2      LEU   8  -9.547  -8.992   5.735
   80    H    THR   9           H        THR   9 -10.727  -7.391   1.407
   81    HA   THR   9           HA       THR   9 -11.630 -10.037   2.168
   82    HB   THR   9           HB       THR   9 -13.729  -9.158   0.841
   83    HG1  THR   9           1HG      THR   9 -13.558  -6.707   1.334
   84   1HG2  THR   9          1HG2      THR   9 -12.866  -8.826   3.546
   85   2HG2  THR   9          2HG2      THR   9 -14.496  -9.045   2.905
   86   3HG2  THR   9          3HG2      THR   9 -13.811  -7.428   3.039
   87    H    GLY  10           H        GLY  10 -10.006  -8.735  -0.486
   88   1HA   GLY  10          2HA       GLY  10  -9.250 -10.088  -2.284
   89   2HA   GLY  10          1HA       GLY  10 -10.669 -11.108  -2.077
   90    H    ALA  11           H        ALA  11 -11.777  -8.075  -1.827
   91    HA   ALA  11           HA       ALA  11 -12.824  -8.079  -4.537
   92   1HB   ALA  11          1HB       ALA  11 -13.520  -6.002  -2.508
   93   2HB   ALA  11          2HB       ALA  11 -14.125  -7.648  -2.335
   94   3HB   ALA  11          3HB       ALA  11 -14.516  -6.712  -3.777
   95    H    THR  12           H        THR  12 -11.713  -7.083  -6.116
   96    HA   THR  12           HA       THR  12  -9.868  -4.941  -5.511
   97    HB   THR  12           HB       THR  12  -9.483  -4.936  -7.980
   98    HG1  THR  12           1HG      THR  12 -10.734  -7.242  -8.532
   99   1HG2  THR  12          1HG2      THR  12  -7.983  -6.522  -7.677
  100   2HG2  THR  12          2HG2      THR  12  -9.236  -7.758  -7.661
  101   3HG2  THR  12          3HG2      THR  12  -8.779  -6.947  -6.163
  102    H    ILE  13           H        ILE  13 -10.200  -2.779  -5.821
  103    HA   ILE  13           HA       ILE  13 -12.834  -2.019  -6.914
  104    HB   ILE  13           HB       ILE  13 -12.735  -0.031  -5.407
  105   1HG1  ILE  13          2HG1      ILE  13 -10.598  -1.530  -3.901
  106   2HG1  ILE  13          1HG1      ILE  13 -10.204  -0.289  -5.085
  107   1HG2  ILE  13          1HG2      ILE  13 -12.623  -2.216  -3.476
  108   2HG2  ILE  13          2HG2      ILE  13 -13.602  -2.578  -4.898
  109   3HG2  ILE  13          3HG2      ILE  13 -13.964  -1.161  -3.918
  110   1HD1  ILE  13          1HD1      ILE  13 -10.272   0.439  -2.677
  111   2HD1  ILE  13          2HD1      ILE  13 -12.022   0.222  -2.751
  112   3HD1  ILE  13          3HD1      ILE  13 -11.234   1.392  -3.804
  113    H    THR  14           H        THR  14 -13.010  -0.081  -8.046
  114    HA   THR  14           HA       THR  14 -10.565   0.679  -9.447
  115    HB   THR  14           HB       THR  14 -12.586   2.158 -10.600
  116    HG1  THR  14           1HG      THR  14 -14.140   0.208 -10.818
  117   1HG2  THR  14          1HG2      THR  14 -11.054  -0.168 -11.295
  118   2HG2  THR  14          2HG2      THR  14 -11.714   1.098 -12.335
  119   3HG2  THR  14          3HG2      THR  14 -12.701  -0.297 -11.912
  120    H    LEU  15           H        LEU  15  -9.418   2.423  -8.891
  121    HA   LEU  15           HA       LEU  15 -10.863   4.709  -7.781
  122   1HB   LEU  15          2HB       LEU  15  -8.696   3.152  -6.453
  123   2HB   LEU  15          1HB       LEU  15  -8.766   4.887  -6.192
  124    HG   LEU  15           HG       LEU  15 -11.128   3.083  -5.687
  125   1HD1  LEU  15          1HD1      LEU  15  -8.750   2.960  -4.306
  126   2HD1  LEU  15          2HD1      LEU  15 -10.320   2.427  -3.726
  127   3HD1  LEU  15          3HD1      LEU  15  -9.744   4.043  -3.331
  128   1HD2  LEU  15          1HD2      LEU  15 -10.435   5.921  -4.946
  129   2HD2  LEU  15          2HD2      LEU  15 -11.703   5.007  -4.133
  130   3HD2  LEU  15          3HD2      LEU  15 -11.828   5.340  -5.860
  131    H    GLU  16           H        GLU  16  -9.544   6.671  -7.667
  132    HA   GLU  16           HA       GLU  16  -7.541   6.726  -9.829
  133   1HB   GLU  16          2HB       GLU  16  -9.798   8.575  -9.210
  134   2HB   GLU  16          1HB       GLU  16  -8.328   9.275  -9.855
  135   1HG   GLU  16          2HG       GLU  16  -9.081   8.776 -11.886
  136   2HG   GLU  16          1HG       GLU  16  -8.863   7.069 -11.473
  137    H    VAL  17           H        VAL  17  -5.584   7.668  -9.402
  138    HA   VAL  17           HA       VAL  17  -5.224   8.600  -6.645
  139    HB   VAL  17           HB       VAL  17  -2.801   8.204  -7.048
  140   1HG1  VAL  17          1HG1      VAL  17  -4.831   6.036  -7.271
  141   2HG1  VAL  17          2HG1      VAL  17  -3.771   6.444  -5.921
  142   3HG1  VAL  17          3HG1      VAL  17  -3.117   5.625  -7.341
  143   1HG2  VAL  17          1HG2      VAL  17  -2.315   8.340  -9.265
  144   2HG2  VAL  17          2HG2      VAL  17  -3.828   7.587  -9.755
  145   3HG2  VAL  17          3HG2      VAL  17  -2.508   6.593  -9.137
  146    H    GLU  18           H        GLU  18  -4.082  10.457  -6.147
  147    HA   GLU  18           HA       GLU  18  -3.746  12.391  -8.351
  148   1HB   GLU  18          2HB       GLU  18  -5.686  12.755  -6.682
  149   2HB   GLU  18          1HB       GLU  18  -4.428  13.173  -5.528
  150   1HG   GLU  18          2HG       GLU  18  -5.372  15.158  -6.546
  151   2HG   GLU  18          1HG       GLU  18  -3.672  14.971  -6.972
  152    H    SER  19           H        SER  19  -2.112  14.032  -8.001
  153    HA   SER  19           HA       SER  19   0.302  12.944  -6.967
  154   1HB   SER  19          2HB       SER  19  -0.255  14.917  -8.759
  155   2HB   SER  19          1HB       SER  19   0.129  15.889  -7.340
  156    HG   SER  19           HG       SER  19   1.994  14.106  -7.412
  157    H    SER  20           H        SER  20  -2.150  15.119  -5.785
  158    HA   SER  20           HA       SER  20  -0.675  15.764  -3.376
  159   1HB   SER  20          2HB       SER  20  -2.912  16.956  -2.820
  160   2HB   SER  20          1HB       SER  20  -1.907  17.596  -4.117
  161    HG   SER  20           HG       SER  20  -4.277  16.082  -4.300
  162    H    ASP  21           H        ASP  21  -2.088  13.033  -4.236
  163    HA   ASP  21           HA       ASP  21  -3.800  12.571  -1.962
  164   1HB   ASP  21          2HB       ASP  21  -3.283  11.299  -4.475
  165   2HB   ASP  21          1HB       ASP  21  -3.086  10.114  -3.187
  166    H    THR  22           H        THR  22  -3.122  11.979  -0.006
  167    HA   THR  22           HA       THR  22  -0.457  10.761   0.240
  168    HB   THR  22           HB       THR  22  -0.751  11.694   2.687
  169    HG1  THR  22           1HG      THR  22  -1.843  13.918   2.001
  170   1HG2  THR  22          1HG2      THR  22   0.545  13.553   2.168
  171   2HG2  THR  22          2HG2      THR  22  -0.193  13.753   0.575
  172   3HG2  THR  22          3HG2      THR  22   0.906  12.407   0.879
  173    H    ILE  23           H        ILE  23  -0.156   9.199   1.903
  174    HA   ILE  23           HA       ILE  23  -2.168   7.237   2.008
  175    HB   ILE  23           HB       ILE  23   0.049   7.348   4.040
  176   1HG1  ILE  23          2HG1      ILE  23   1.134   7.869   1.925
  177   2HG1  ILE  23          1HG1      ILE  23   1.507   6.210   2.378
  178   1HG2  ILE  23          1HG2      ILE  23  -1.882   5.541   3.731
  179   2HG2  ILE  23          2HG2      ILE  23  -0.253   5.106   4.253
  180   3HG2  ILE  23          3HG2      ILE  23  -0.724   4.897   2.567
  181   1HD1  ILE  23          1HD1      ILE  23   0.714   5.466   0.452
  182   2HD1  ILE  23          2HD1      ILE  23   0.456   7.137  -0.046
  183   3HD1  ILE  23          3HD1      ILE  23  -0.843   6.246   0.744
  184    H    ASP  24           H        ASP  24  -1.656  10.019   3.940
  185    HA   ASP  24           HA       ASP  24  -3.144   9.010   6.208
  186   1HB   ASP  24          2HB       ASP  24  -1.209  10.899   5.989
  187   2HB   ASP  24          1HB       ASP  24  -2.654  11.913   5.977
  188    H    ASN  25           H        ASN  25  -3.530  11.569   3.774
  189    HA   ASN  25           HA       ASN  25  -6.081  12.410   4.471
  190   1HB   ASN  25          2HB       ASN  25  -4.286  12.790   2.246
  191   2HB   ASN  25          1HB       ASN  25  -5.938  12.624   1.664
  192   1HD2  ASN  25          1HD2      ASN  25  -3.954  14.938   2.010
  193   2HD2  ASN  25          2HD2      ASN  25  -4.917  16.160   2.755
  194    H    VAL  26           H        VAL  26  -5.145   9.916   2.106
  195    HA   VAL  26           HA       VAL  26  -7.688   9.276   1.192
  196    HB   VAL  26           HB       VAL  26  -6.727   7.011   0.676
  197   1HG1  VAL  26          1HG1      VAL  26  -6.151   8.059  -1.207
  198   2HG1  VAL  26          2HG1      VAL  26  -4.616   8.504  -0.464
  199   3HG1  VAL  26          3HG1      VAL  26  -6.001   9.586  -0.335
  200   1HG2  VAL  26          1HG2      VAL  26  -4.845   7.841   2.638
  201   2HG2  VAL  26          2HG2      VAL  26  -4.007   7.600   1.107
  202   3HG2  VAL  26          3HG2      VAL  26  -4.964   6.289   1.803
  203    H    LYS  27           H        LYS  27  -5.889   7.932   3.923
  204    HA   LYS  27           HA       LYS  27  -7.739   5.954   4.669
  205   1HB   LYS  27          2HB       LYS  27  -5.321   7.110   5.745
  206   2HB   LYS  27          1HB       LYS  27  -6.492   6.829   7.029
  207   1HG   LYS  27          2HG       LYS  27  -6.092   4.657   7.003
  208   2HG   LYS  27          1HG       LYS  27  -6.373   4.561   5.271
  209   1HD   LYS  27          2HD       LYS  27  -3.848   5.837   5.903
  210   2HD   LYS  27          1HD       LYS  27  -3.952   4.213   6.584
  211   1HE   LYS  27          2HE       LYS  27  -4.827   3.573   4.213
  212   2HE   LYS  27          1HE       LYS  27  -4.065   5.087   3.724
  213   1HZ   LYS  27          1HZ       LYS  27  -2.529   3.130   5.297
  214   2HZ   LYS  27          2HZ       LYS  27  -1.980   4.289   4.208
  215   3HZ   LYS  27          3HZ       LYS  27  -2.729   2.895   3.635
  216    H    SER  28           H        SER  28  -7.420   9.336   5.679
  217    HA   SER  28           HA       SER  28  -9.301   9.381   7.718
  218   1HB   SER  28          2HB       SER  28  -7.748  11.247   7.136
  219   2HB   SER  28          1HB       SER  28  -8.773  11.618   5.751
  220    HG   SER  28           HG       SER  28  -9.383  12.920   7.459
  221    H    LYS  29           H        LYS  29  -9.791   8.982   4.372
  222    HA   LYS  29           HA       LYS  29 -12.322  10.085   4.003
  223   1HB   LYS  29          2HB       LYS  29 -10.555   8.638   2.448
  224   2HB   LYS  29          1HB       LYS  29 -11.963   7.593   2.542
  225   1HG   LYS  29          2HG       LYS  29 -13.202   9.872   1.990
  226   2HG   LYS  29          1HG       LYS  29 -11.638  10.235   1.255
  227   1HD   LYS  29          2HD       LYS  29 -11.801   8.112  -0.025
  228   2HD   LYS  29          1HD       LYS  29 -13.410   7.864   0.664
  229   1HE   LYS  29          2HE       LYS  29 -13.854  10.260  -0.297
  230   2HE   LYS  29          1HE       LYS  29 -12.495   9.872  -1.348
  231   1HZ   LYS  29          1HZ       LYS  29 -14.710   9.313  -2.279
  232   2HZ   LYS  29          2HZ       LYS  29 -14.903   8.155  -1.058
  233   3HZ   LYS  29          3HZ       LYS  29 -13.658   7.990  -2.193
  234    H    ILE  30           H        ILE  30 -11.697   7.873   6.313
  235    HA   ILE  30           HA       ILE  30 -13.959   6.137   5.931
  236    HB   ILE  30           HB       ILE  30 -13.457   5.376   8.239
  237   1HG1  ILE  30          2HG1      ILE  30 -10.872   6.448   8.607
  238   2HG1  ILE  30          1HG1      ILE  30 -11.928   7.813   8.264
  239   1HG2  ILE  30          1HG2      ILE  30 -10.839   5.313   6.852
  240   2HG2  ILE  30          2HG2      ILE  30 -12.240   4.717   5.961
  241   3HG2  ILE  30          3HG2      ILE  30 -11.805   3.992   7.510
  242   1HD1  ILE  30          1HD1      ILE  30 -12.432   7.780  10.416
  243   2HD1  ILE  30          2HD1      ILE  30 -11.712   6.188  10.648
  244   3HD1  ILE  30          3HD1      ILE  30 -13.378   6.330  10.072
  245    H    GLN  31           H        GLN  31 -14.412   9.010   5.919
  246    HA   GLN  31           HA       GLN  31 -15.773   9.587   8.421
  247   1HB   GLN  31          2HB       GLN  31 -16.228  11.790   7.393
  248   2HB   GLN  31          1HB       GLN  31 -14.518  11.384   7.383
  249   1HG   GLN  31          2HG       GLN  31 -14.429  11.198   5.121
  250   2HG   GLN  31          1HG       GLN  31 -16.107  10.682   4.981
  251   1HE2  GLN  31          1HE2      GLN  31 -13.943  13.259   4.715
  252   2HE2  GLN  31          2HE2      GLN  31 -15.089  14.516   4.455
  253    H    ALA  32           H        ALA  32 -16.649   7.548   6.254
  254    HA   ALA  32           HA       ALA  32 -19.449   8.486   6.127
  255   1HB   ALA  32          1HB       ALA  32 -19.615   8.014   3.951
  256   2HB   ALA  32          2HB       ALA  32 -18.682   6.530   4.103
  257   3HB   ALA  32          3HB       ALA  32 -17.853   8.080   3.951
  258    H    ALA  33           H        ALA  33 -17.634   5.428   5.648
  259    HA   ALA  33           HA       ALA  33 -19.647   4.096   7.340
  260   1HB   ALA  33          1HB       ALA  33 -19.371   2.132   6.102
  261   2HB   ALA  33          2HB       ALA  33 -17.842   2.664   5.409
  262   3HB   ALA  33          3HB       ALA  33 -19.358   3.406   4.882
  263    HA   PRO  34           HA       PRO  34 -15.971   3.927  10.007
  264   1HB   PRO  34          2HB       PRO  34 -17.909   3.103  12.049
  265   2HB   PRO  34          1HB       PRO  34 -16.835   4.502  12.037
  266   1HG   PRO  34          2HG       PRO  34 -19.497   4.762  11.758
  267   2HG   PRO  34          1HG       PRO  34 -18.358   5.826  10.912
  268   1HD   PRO  34          2HD       PRO  34 -19.854   3.455   9.850
  269   2HD   PRO  34          1HD       PRO  34 -19.577   5.037   9.098
  270    H    GLY  35           H        GLY  35 -15.478   2.184  11.833
  271   1HA   GLY  35          2HA       GLY  35 -16.256  -0.308  12.135
  272   2HA   GLY  35          1HA       GLY  35 -15.697  -0.393  10.464
  273    H    ILE  36           H        ILE  36 -13.629  -0.816  10.105
  274    HA   ILE  36           HA       ILE  36 -11.852  -1.228  12.351
  275    HB   ILE  36           HB       ILE  36 -11.173  -1.591   9.430
  276   1HG1  ILE  36          2HG1      ILE  36 -13.235  -2.833   9.863
  277   2HG1  ILE  36          1HG1      ILE  36 -11.883  -3.951   9.691
  278   1HG2  ILE  36          1HG2      ILE  36  -9.227  -1.748  10.716
  279   2HG2  ILE  36          2HG2      ILE  36  -9.719  -3.418  10.443
  280   3HG2  ILE  36          3HG2      ILE  36 -10.039  -2.646  11.998
  281   1HD1  ILE  36          1HD1      ILE  36 -13.725  -3.935  11.722
  282   2HD1  ILE  36          2HD1      ILE  36 -12.320  -3.152  12.449
  283   3HD1  ILE  36          3HD1      ILE  36 -12.166  -4.761  11.732
  284    HA   PRO  37           HA       PRO  37  -9.665   2.606  12.057
  285   1HB   PRO  37          2HB       PRO  37  -7.169   1.137  12.665
  286   2HB   PRO  37          1HB       PRO  37  -7.966   2.424  13.582
  287   1HG   PRO  37          2HG       PRO  37  -7.987  -0.103  14.455
  288   2HG   PRO  37          1HG       PRO  37  -9.399   0.953  14.656
  289   1HD   PRO  37          2HD       PRO  37  -8.913  -1.193  12.619
  290   2HD   PRO  37          1HD       PRO  37 -10.384  -0.841  13.550
  291    HA   PRO  38           HA       PRO  38  -8.058   2.552   7.884
  292   1HB   PRO  38          2HB       PRO  38  -7.007   5.080   7.902
  293   2HB   PRO  38          1HB       PRO  38  -8.718   4.733   7.654
  294   1HG   PRO  38          2HG       PRO  38  -7.277   5.556  10.149
  295   2HG   PRO  38          1HG       PRO  38  -8.829   6.138   9.507
  296   1HD   PRO  38          2HD       PRO  38  -8.738   4.346  11.492
  297   2HD   PRO  38          1HD       PRO  38  -9.976   4.249  10.220
  298    H    ASP  39           H        ASP  39  -6.218   2.893  10.728
  299    HA   ASP  39           HA       ASP  39  -3.638   3.111   9.480
  300   1HB   ASP  39          2HB       ASP  39  -4.711   3.252  12.152
  301   2HB   ASP  39          1HB       ASP  39  -3.354   2.134  12.115
  302    H    GLN  40           H        GLN  40  -5.837   0.645   9.753
  303    HA   GLN  40           HA       GLN  40  -3.870  -1.483  10.050
  304   1HB   GLN  40          2HB       GLN  40  -6.673  -1.237  10.508
  305   2HB   GLN  40          1HB       GLN  40  -6.431  -2.513   9.317
  306   1HG   GLN  40          2HG       GLN  40  -6.145  -3.823  11.091
  307   2HG   GLN  40          1HG       GLN  40  -4.528  -3.122  11.150
  308   1HE2  GLN  40          1HE2      GLN  40  -7.327  -3.682  12.877
  309   2HE2  GLN  40          2HE2      GLN  40  -7.060  -2.588  14.187
  310    H    GLN  41           H        GLN  41  -4.628   0.472   7.598
  311    HA   GLN  41           HA       GLN  41  -4.336  -1.671   5.599
  312   1HB   GLN  41          2HB       GLN  41  -6.322   0.415   5.776
  313   2HB   GLN  41          1HB       GLN  41  -5.404   0.570   4.285
  314   1HG   GLN  41          2HG       GLN  41  -5.876  -1.842   3.837
  315   2HG   GLN  41          1HG       GLN  41  -6.957  -1.826   5.228
  316   1HE2  GLN  41          1HE2      GLN  41  -8.868  -2.100   4.271
  317   2HE2  GLN  41          2HE2      GLN  41  -9.552  -1.027   3.105
  318    H    GLU  42           H        GLU  42  -2.685  -1.556   4.252
  319    HA   GLU  42           HA       GLU  42  -1.393   0.959   3.633
  320   1HB   GLU  42          2HB       GLU  42   0.863   0.078   4.342
  321   2HB   GLU  42          1HB       GLU  42  -0.217   0.532   5.650
  322   1HG   GLU  42          2HG       GLU  42  -0.557  -2.243   4.962
  323   2HG   GLU  42          1HG       GLU  42   1.127  -1.885   5.323
  324    H    LEU  43           H        LEU  43   0.209   0.784   1.914
  325    HA   LEU  43           HA       LEU  43  -0.328  -1.519   0.193
  326   1HB   LEU  43          2HB       LEU  43   1.327   0.868  -0.576
  327   2HB   LEU  43          1HB       LEU  43   0.418  -0.219  -1.617
  328    HG   LEU  43           HG       LEU  43  -1.596   0.853  -0.138
  329   1HD1  LEU  43          1HD1      LEU  43  -0.519   3.410  -0.682
  330   2HD1  LEU  43          2HD1      LEU  43   0.630   2.535   0.332
  331   3HD1  LEU  43          3HD1      LEU  43  -1.037   2.741   0.869
  332   1HD2  LEU  43          1HD2      LEU  43  -2.060   0.903  -2.337
  333   2HD2  LEU  43          2HD2      LEU  43  -0.410   1.357  -2.773
  334   3HD2  LEU  43          3HD2      LEU  43  -1.534   2.580  -2.192
  335    H    ILE  44           H        ILE  44   1.335  -2.890  -0.504
  336    HA   ILE  44           HA       ILE  44   4.035  -2.341   0.447
  337    HB   ILE  44           HB       ILE  44   2.805  -4.993   1.156
  338   1HG1  ILE  44          2HG1      ILE  44   3.216  -3.526   3.515
  339   2HG1  ILE  44          1HG1      ILE  44   2.377  -2.436   2.432
  340   1HG2  ILE  44          1HG2      ILE  44   5.006  -5.416   1.389
  341   2HG2  ILE  44          2HG2      ILE  44   4.829  -4.543   2.909
  342   3HG2  ILE  44          3HG2      ILE  44   5.429  -3.710   1.476
  343   1HD1  ILE  44          1HD1      ILE  44   0.482  -3.686   2.409
  344   2HD1  ILE  44          2HD1      ILE  44   1.074  -4.054   4.027
  345   3HD1  ILE  44          3HD1      ILE  44   1.343  -5.196   2.707
  346    H    PHE  45           H        PHE  45   5.608  -3.089  -0.875
  347    HA   PHE  45           HA       PHE  45   4.806  -4.535  -3.251
  348   1HB   PHE  45          2HB       PHE  45   7.295  -3.124  -2.384
  349   2HB   PHE  45          1HB       PHE  45   7.386  -4.300  -3.688
  350    HD1  PHE  45           1HD      PHE  45   4.990  -1.581  -2.749
  351    HD2  PHE  45           2HD      PHE  45   7.455  -3.324  -5.754
  352    HE1  PHE  45           1HE      PHE  45   4.225   0.112  -4.360
  353    HE2  PHE  45           2HE      PHE  45   6.682  -1.637  -7.370
  354    HZ   PHE  45           HZ       PHE  45   5.075   0.090  -6.668
  355    H    ALA  46           H        ALA  46   4.890  -5.766  -0.492
  356    HA   ALA  46           HA       ALA  46   5.319  -7.815   0.397
  357   1HB   ALA  46          1HB       ALA  46   6.639  -9.267  -1.594
  358   2HB   ALA  46          2HB       ALA  46   5.484  -8.237  -2.442
  359   3HB   ALA  46          3HB       ALA  46   4.929  -9.330  -1.173
  360    H    GLY  47           H        GLY  47   7.985  -7.271  -1.872
  361   1HA   GLY  47          2HA       GLY  47   9.924  -7.813   0.261
  362   2HA   GLY  47          1HA       GLY  47  10.264  -7.724  -1.461
  363    H    LYS  48           H        LYS  48   8.381  -5.170  -1.242
  364    HA   LYS  48           HA       LYS  48  10.457  -3.345  -0.210
  365   1HB   LYS  48          2HB       LYS  48   9.688  -3.600  -2.891
  366   2HB   LYS  48          1HB       LYS  48   8.832  -2.171  -2.320
  367   1HG   LYS  48          2HG       LYS  48  10.691  -1.033  -2.728
  368   2HG   LYS  48          1HG       LYS  48  11.396  -1.851  -1.327
  369   1HD   LYS  48          2HD       LYS  48  11.846  -3.745  -3.119
  370   2HD   LYS  48          1HD       LYS  48  11.759  -2.378  -4.232
  371   1HE   LYS  48          2HE       LYS  48  13.377  -1.273  -2.488
  372   2HE   LYS  48          1HE       LYS  48  13.726  -2.949  -2.071
  373   1HZ   LYS  48          1HZ       LYS  48  14.327  -3.380  -4.341
  374   2HZ   LYS  48          2HZ       LYS  48  15.233  -2.076  -3.756
  375   3HZ   LYS  48          3HZ       LYS  48  13.924  -1.798  -4.796
  376    H    GLN  49           H        GLN  49   9.589  -2.508   1.609
  377    HA   GLN  49           HA       GLN  49   6.725  -2.156   1.837
  378   1HB   GLN  49          2HB       GLN  49   9.045  -2.144   3.684
  379   2HB   GLN  49          1HB       GLN  49   7.660  -1.175   4.155
  380   1HG   GLN  49          2HG       GLN  49   6.723  -3.006   4.971
  381   2HG   GLN  49          1HG       GLN  49   6.616  -3.641   3.330
  382   1HE2  GLN  49          1HE2      GLN  49   8.148  -5.092   2.603
  383   2HE2  GLN  49          2HE2      GLN  49   9.214  -5.932   3.676
  384    H    LEU  50           H        LEU  50   5.620  -0.270   1.833
  385    HA   LEU  50           HA       LEU  50   7.084   2.079   0.950
  386   1HB   LEU  50          2HB       LEU  50   4.428   1.034   0.619
  387   2HB   LEU  50          1HB       LEU  50   4.357   2.691   1.184
  388    HG   LEU  50           HG       LEU  50   4.309   2.453  -1.303
  389   1HD1  LEU  50          1HD1      LEU  50   5.006   4.551  -0.335
  390   2HD1  LEU  50          2HD1      LEU  50   6.020   4.186  -1.729
  391   3HD1  LEU  50          3HD1      LEU  50   6.641   3.931  -0.098
  392   1HD2  LEU  50          1HD2      LEU  50   7.210   1.723  -1.073
  393   2HD2  LEU  50          2HD2      LEU  50   6.186   1.725  -2.511
  394   3HD2  LEU  50          3HD2      LEU  50   5.941   0.512  -1.256
  395    H    GLU  51           H        GLU  51   7.026   4.074   1.947
  396    HA   GLU  51           HA       GLU  51   6.668   3.951   4.832
  397   1HB   GLU  51          2HB       GLU  51   8.070   5.724   2.931
  398   2HB   GLU  51          1HB       GLU  51   7.447   6.496   4.375
  399   1HG   GLU  51          2HG       GLU  51   9.538   5.930   5.065
  400   2HG   GLU  51          1HG       GLU  51   8.643   4.498   5.566
  401    H    ASP  52           H        ASP  52   5.005   4.771   5.916
  402    HA   ASP  52           HA       ASP  52   2.629   5.568   4.697
  403   1HB   ASP  52          2HB       ASP  52   3.639   5.945   7.518
  404   2HB   ASP  52          1HB       ASP  52   2.013   6.415   7.020
  405    H    GLY  53           H        GLY  53   5.373   7.479   5.764
  406   1HA   GLY  53          2HA       GLY  53   3.965   9.989   5.456
  407   2HA   GLY  53          1HA       GLY  53   5.674   9.788   5.825
  408    H    ARG  54           H        ARG  54   4.754   7.902   3.178
  409    HA   ARG  54           HA       ARG  54   6.138   9.745   1.392
  410   1HB   ARG  54          2HB       ARG  54   5.279   6.873   1.083
  411   2HB   ARG  54          1HB       ARG  54   6.015   7.802  -0.220
  412   1HG   ARG  54          2HG       ARG  54   7.860   8.230   1.652
  413   2HG   ARG  54          1HG       ARG  54   7.227   6.698   2.242
  414   1HD   ARG  54          2HD       ARG  54   8.944   6.033   0.829
  415   2HD   ARG  54          1HD       ARG  54   7.510   5.889  -0.186
  416    HE   ARG  54           HE       ARG  54   8.274   7.635  -1.489
  417   1HH1  ARG  54          1HH1      ARG  54  10.239   7.381   1.387
  418   2HH1  ARG  54          2HH1      ARG  54  11.440   8.484   0.814
  419   1HH2  ARG  54          1HH2      ARG  54   9.848   9.087  -2.231
  420   2HH2  ARG  54          2HH2      ARG  54  11.212   9.467  -1.238
  421    H    THR  55           H        THR  55   5.251  10.620  -0.490
  422    HA   THR  55           HA       THR  55   2.333  10.688  -0.502
  423    HB   THR  55           HB       THR  55   2.621  12.630  -2.028
  424    HG1  THR  55           1HG      THR  55   4.670  13.397  -2.429
  425   1HG2  THR  55          1HG2      THR  55   3.403  14.199  -0.445
  426   2HG2  THR  55          2HG2      THR  55   4.335  12.970   0.411
  427   3HG2  THR  55          3HG2      THR  55   2.575  12.928   0.452
  428    H    LEU  56           H        LEU  56   1.431  11.098  -2.875
  429    HA   LEU  56           HA       LEU  56   1.593   8.662  -4.205
  430   1HB   LEU  56          2HB       LEU  56  -0.105  10.703  -4.348
  431   2HB   LEU  56          1HB       LEU  56   0.853  11.080  -5.765
  432    HG   LEU  56           HG       LEU  56   0.243   8.347  -5.991
  433   1HD1  LEU  56          1HD1      LEU  56  -1.658   8.024  -4.877
  434   2HD1  LEU  56          2HD1      LEU  56  -2.423   9.170  -5.984
  435   3HD1  LEU  56          3HD1      LEU  56  -1.758   9.734  -4.454
  436   1HD2  LEU  56          1HD2      LEU  56   0.457  10.103  -7.766
  437   2HD2  LEU  56          2HD2      LEU  56  -1.155  10.647  -7.335
  438   3HD2  LEU  56          3HD2      LEU  56  -0.917   9.017  -7.958
  439    H    SER  57           H        SER  57   3.004  11.784  -5.200
  440    HA   SER  57           HA       SER  57   4.271  10.939  -7.514
  441   1HB   SER  57          2HB       SER  57   4.105  13.278  -6.984
  442   2HB   SER  57          1HB       SER  57   5.098  13.071  -5.543
  443    HG   SER  57           HG       SER  57   6.339  12.149  -7.784
  444    H    ASP  58           H        ASP  58   5.205  10.448  -4.208
  445    HA   ASP  58           HA       ASP  58   7.935   9.859  -4.591
  446   1HB   ASP  58          2HB       ASP  58   6.006   8.888  -2.479
  447   2HB   ASP  58          1HB       ASP  58   7.744   8.622  -2.432
  448    H    TYR  59           H        TYR  59   5.076   7.989  -5.175
  449    HA   TYR  59           HA       TYR  59   6.690   5.897  -6.390
  450   1HB   TYR  59          2HB       TYR  59   5.004   5.493  -3.952
  451   2HB   TYR  59          1HB       TYR  59   5.088   4.196  -5.141
  452    HD1  TYR  59           1HD      TYR  59   6.809   5.934  -2.479
  453    HD2  TYR  59           2HD      TYR  59   7.294   3.166  -5.670
  454    HE1  TYR  59           1HE      TYR  59   8.939   5.182  -1.493
  455    HE2  TYR  59           2HE      TYR  59   9.413   2.410  -4.700
  456    HH   TYR  59           HH       TYR  59  11.214   3.523  -3.121
  457    H    ASN  60           H        ASN  60   4.981   7.887  -7.450
  458    HA   ASN  60           HA       ASN  60   2.533   6.564  -8.219
  459   1HB   ASN  60          2HB       ASN  60   2.470   8.952  -7.624
  460   2HB   ASN  60          1HB       ASN  60   3.600   9.302  -8.925
  461   1HD2  ASN  60          1HD2      ASN  60   1.546  10.753  -9.171
  462   2HD2  ASN  60          2HD2      ASN  60   0.389  10.165 -10.307
  463    H    ILE  61           H        ILE  61   2.849   5.075  -9.682
  464    HA   ILE  61           HA       ILE  61   4.863   5.217 -11.716
  465    HB   ILE  61           HB       ILE  61   2.594   3.243 -11.775
  466   1HG1  ILE  61          2HG1      ILE  61   4.614   1.979 -10.349
  467   2HG1  ILE  61          1HG1      ILE  61   4.542   3.578  -9.617
  468   1HG2  ILE  61          1HG2      ILE  61   5.064   3.582 -13.140
  469   2HG2  ILE  61          2HG2      ILE  61   3.832   2.338 -13.366
  470   3HG2  ILE  61          3HG2      ILE  61   5.137   2.089 -12.206
  471   1HD1  ILE  61          1HD1      ILE  61   3.055   1.586  -8.761
  472   2HD1  ILE  61          2HD1      ILE  61   1.992   2.136 -10.058
  473   3HD1  ILE  61          3HD1      ILE  61   2.460   3.244  -8.774
  474    H    GLN  62           H        GLN  62   3.726   4.219 -13.936
  475    HA   GLN  62           HA       GLN  62   2.082   6.461 -14.875
  476   1HB   GLN  62          2HB       GLN  62   3.697   4.466 -16.468
  477   2HB   GLN  62          1HB       GLN  62   2.841   5.848 -17.128
  478   1HG   GLN  62          2HG       GLN  62   4.354   7.149 -15.397
  479   2HG   GLN  62          1HG       GLN  62   5.381   5.728 -15.597
  480   1HE2  GLN  62          1HE2      GLN  62   3.421   7.832 -17.676
  481   2HE2  GLN  62          2HE2      GLN  62   4.634   8.056 -18.887
  482    H    LYS  63           H        LYS  63   0.961   5.495 -17.099
  483    HA   LYS  63           HA       LYS  63  -1.357   4.232 -16.264
  484   1HB   LYS  63          2HB       LYS  63  -1.665   3.718 -18.754
  485   2HB   LYS  63          1HB       LYS  63  -1.462   5.401 -18.302
  486   1HG   LYS  63          2HG       LYS  63   0.666   5.534 -19.188
  487   2HG   LYS  63          1HG       LYS  63   0.915   3.785 -19.130
  488   1HD   LYS  63          2HD       LYS  63  -0.541   3.449 -20.993
  489   2HD   LYS  63          1HD       LYS  63  -1.099   5.119 -20.929
  490   1HE   LYS  63          2HE       LYS  63   1.619   5.398 -21.183
  491   2HE   LYS  63          1HE       LYS  63   1.277   3.987 -22.181
  492   1HZ   LYS  63          1HZ       LYS  63   1.155   6.128 -23.375
  493   2HZ   LYS  63          2HZ       LYS  63  -0.169   6.562 -22.415
  494   3HZ   LYS  63          3HZ       LYS  63  -0.278   5.230 -23.451
  495    H    GLU  64           H        GLU  64  -1.975   2.202 -15.918
  496    HA   GLU  64           HA       GLU  64  -2.028  -0.093 -15.900
  497   1HB   GLU  64          2HB       GLU  64   0.260   0.208 -17.857
  498   2HB   GLU  64          1HB       GLU  64  -0.283  -1.365 -17.284
  499   1HG   GLU  64          2HG       GLU  64  -1.943  -1.392 -18.753
  500   2HG   GLU  64          1HG       GLU  64  -2.515   0.189 -18.227
  501    H    SER  65           H        SER  65  -1.549   0.149 -13.717
  502    HA   SER  65           HA       SER  65   0.923  -1.090 -12.901
  503   1HB   SER  65          2HB       SER  65   1.169   0.870 -11.136
  504   2HB   SER  65          1HB       SER  65   1.897   1.005 -12.736
  505    HG   SER  65           HG       SER  65   0.014   2.170 -13.376
  506    H    THR  66           H        THR  66   0.212  -2.597 -11.540
  507    HA   THR  66           HA       THR  66  -2.295  -2.277 -10.130
  508    HB   THR  66           HB       THR  66  -1.483  -4.615  -9.205
  509    HG1  THR  66           1HG      THR  66  -0.219  -4.985 -11.586
  510   1HG2  THR  66          1HG2      THR  66  -2.788  -5.622 -10.738
  511   2HG2  THR  66          2HG2      THR  66  -2.061  -4.762 -12.092
  512   3HG2  THR  66          3HG2      THR  66  -3.249  -3.953 -11.071
  513    H    LEU  67           H        LEU  67  -2.605  -2.135  -7.932
  514    HA   LEU  67           HA       LEU  67  -0.191  -1.603  -6.320
  515   1HB   LEU  67          2HB       LEU  67  -2.938  -0.398  -6.274
  516   2HB   LEU  67          1HB       LEU  67  -1.925  -0.358  -4.844
  517    HG   LEU  67           HG       LEU  67  -1.210   0.840  -7.522
  518   1HD1  LEU  67          1HD1      LEU  67  -2.419   2.588  -6.903
  519   2HD1  LEU  67          2HD1      LEU  67  -1.337   2.793  -5.526
  520   3HD1  LEU  67          3HD1      LEU  67  -2.804   1.830  -5.355
  521   1HD2  LEU  67          1HD2      LEU  67   0.863   1.201  -6.764
  522   2HD2  LEU  67          2HD2      LEU  67   0.491  -0.009  -5.530
  523   3HD2  LEU  67          3HD2      LEU  67   0.277   1.705  -5.174
  524    H    HIS  68           H        HIS  68   0.073  -2.715  -4.377
  525    HA   HIS  68           HA       HIS  68  -2.089  -4.601  -3.718
  526   1HB   HIS  68          2HB       HIS  68   0.309  -5.345  -4.685
  527   2HB   HIS  68          1HB       HIS  68   0.688  -5.304  -2.962
  528    HD1  HIS  68           1HD      HIS  68  -1.375  -7.136  -5.489
  529    HD2  HIS  68           2HD      HIS  68  -0.568  -7.271  -1.414
  530    HE1  HIS  68           1HE      HIS  68  -2.288  -9.338  -4.691
  531    HE2  HIS  68           2HE      HIS  68  -1.862  -9.359  -2.209
  532    H    LEU  69           H        LEU  69  -2.868  -4.537  -1.698
  533    HA   LEU  69           HA       LEU  69  -1.240  -3.182   0.354
  534   1HB   LEU  69          2HB       LEU  69  -4.218  -3.049  -0.097
  535   2HB   LEU  69          1HB       LEU  69  -3.443  -2.502   1.374
  536    HG   LEU  69           HG       LEU  69  -2.113  -1.233  -0.779
  537   1HD1  LEU  69          1HD1      LEU  69  -3.790  -1.422  -2.327
  538   2HD1  LEU  69          2HD1      LEU  69  -4.279   0.057  -1.496
  539   3HD1  LEU  69          3HD1      LEU  69  -5.067  -1.469  -1.111
  540   1HD2  LEU  69          1HD2      LEU  69  -3.808   0.611   0.413
  541   2HD2  LEU  69          2HD2      LEU  69  -2.171   0.220   0.924
  542   3HD2  LEU  69          3HD2      LEU  69  -3.542  -0.596   1.668
  543    H    VAL  70           H        VAL  70  -0.649  -4.544   1.903
  544    HA   VAL  70           HA       VAL  70  -2.404  -6.845   2.466
  545    HB   VAL  70           HB       VAL  70   0.548  -6.732   3.061
  546   1HG1  VAL  70          1HG1      VAL  70  -0.162  -8.475   4.326
  547   2HG1  VAL  70          2HG1      VAL  70  -0.035  -9.337   2.789
  548   3HG1  VAL  70          3HG1      VAL  70  -1.601  -8.742   3.341
  549   1HG2  VAL  70          1HG2      VAL  70  -0.311  -8.424   0.832
  550   2HG2  VAL  70          2HG2      VAL  70   1.102  -7.377   0.984
  551   3HG2  VAL  70          3HG2      VAL  70  -0.460  -6.694   0.526
  552    H    LEU  71           H        LEU  71  -2.739  -7.497   4.622
  553    HA   LEU  71           HA       LEU  71  -2.102  -5.394   6.583
  554   1HB   LEU  71          2HB       LEU  71  -4.555  -6.005   5.896
  555   2HB   LEU  71          1HB       LEU  71  -4.317  -7.372   6.967
  556    HG   LEU  71           HG       LEU  71  -3.844  -4.559   7.905
  557   1HD1  LEU  71          1HD1      LEU  71  -6.236  -5.151   6.939
  558   2HD1  LEU  71          2HD1      LEU  71  -6.044  -4.231   8.435
  559   3HD1  LEU  71          3HD1      LEU  71  -6.396  -5.955   8.499
  560   1HD2  LEU  71          1HD2      LEU  71  -3.040  -6.668   9.120
  561   2HD2  LEU  71          2HD2      LEU  71  -4.743  -6.947   9.473
  562   3HD2  LEU  71          3HD2      LEU  71  -3.949  -5.477  10.046
  563    H    ARG  72           H        ARG  72  -0.159  -6.222   7.315
  564    HA   ARG  72           HA       ARG  72   0.082  -8.977   8.097
  565   1HB   ARG  72          2HB       ARG  72   1.841  -6.669   7.799
  566   2HB   ARG  72          1HB       ARG  72   2.242  -7.650   9.199
  567   1HG   ARG  72          2HG       ARG  72   2.867  -9.447   7.939
  568   2HG   ARG  72          1HG       ARG  72   1.743  -9.044   6.634
  569   1HD   ARG  72          2HD       ARG  72   3.446  -8.158   5.509
  570   2HD   ARG  72          1HD       ARG  72   3.562  -6.915   6.750
  571    HE   ARG  72           HE       ARG  72   5.100  -9.432   6.756
  572   1HH1  ARG  72          1HH1      ARG  72   4.773  -6.043   7.556
  573   2HH1  ARG  72          2HH1      ARG  72   6.362  -5.923   8.235
  574   1HH2  ARG  72          1HH2      ARG  72   7.191  -9.259   7.636
  575   2HH2  ARG  72          2HH2      ARG  72   7.727  -7.753   8.297
  576    H    LEU  73           H        LEU  73  -0.622  -9.800   9.938
  577    HA   LEU  73           HA       LEU  73  -1.604  -8.195  12.065
  578   1HB   LEU  73          2HB       LEU  73  -1.487 -11.018  11.398
  579   2HB   LEU  73          1HB       LEU  73  -1.233 -10.745  13.109
  580    HG   LEU  73           HG       LEU  73  -3.542  -9.413  11.772
  581   1HD1  LEU  73          1HD1      LEU  73  -4.318 -11.934  12.900
  582   2HD1  LEU  73          2HD1      LEU  73  -3.146 -12.181  11.604
  583   3HD1  LEU  73          3HD1      LEU  73  -4.629 -11.283  11.293
  584   1HD2  LEU  73          1HD2      LEU  73  -3.894 -10.675  14.367
  585   2HD2  LEU  73          2HD2      LEU  73  -4.177  -9.005  13.875
  586   3HD2  LEU  73          3HD2      LEU  73  -2.559  -9.523  14.349
  587    H    ARG  74           H        ARG  74  -0.504  -7.265  13.658
  588    HA   ARG  74           HA       ARG  74   1.835  -8.504  14.824
  589   1HB   ARG  74          2HB       ARG  74   2.083  -6.447  12.811
  590   2HB   ARG  74          1HB       ARG  74   2.743  -5.889  14.345
  591   1HG   ARG  74          2HG       ARG  74   3.502  -8.481  13.018
  592   2HG   ARG  74          1HG       ARG  74   4.402  -6.974  12.850
  593   1HD   ARG  74          2HD       ARG  74   4.216  -7.127  15.527
  594   2HD   ARG  74          1HD       ARG  74   4.221  -8.844  15.126
  595    HE   ARG  74           HE       ARG  74   6.457  -8.660  14.626
  596   1HH1  ARG  74          1HH1      ARG  74   5.027  -5.470  14.546
  597   2HH1  ARG  74          2HH1      ARG  74   6.544  -4.662  14.313
  598   1HH2  ARG  74          1HH2      ARG  74   8.431  -7.611  14.289
  599   2HH2  ARG  74          2HH2      ARG  74   8.485  -5.889  14.135
  600    H    GLY  75           H        GLY  75  -0.917  -7.374  15.490
  601   1HA   GLY  75          2HA       GLY  75  -0.448  -5.136  17.218
  602   2HA   GLY  75          1HA       GLY  75  -1.925  -6.083  17.109
  603    H    GLY  76           H        GLY  76   1.226  -7.478  17.763
  604   1HA   GLY  76          2HA       GLY  76   2.098  -7.906  19.961
  605   2HA   GLY  76          1HA       GLY  76   0.468  -7.769  20.588
  606    H    HIS  77           H        HIS  77   2.440  -9.881  20.946
  607    HA   HIS  77           HA       HIS  77   1.852 -12.168  19.431
  608   1HB   HIS  77          2HB       HIS  77   3.795 -11.862  21.009
  609   2HB   HIS  77          1HB       HIS  77   2.672 -12.138  22.333
  610    HD1  HIS  77           1HD      HIS  77   1.085 -14.505  21.016
  611    HD2  HIS  77           2HD      HIS  77   5.227 -14.193  21.184
  612    HE1  HIS  77           1HE      HIS  77   1.956 -16.865  20.817
  613    HE2  HIS  77           2HE      HIS  77   4.459 -16.638  20.908
  614    H    HIS  78           H        HIS  78  -0.214 -12.789  19.144
  615    HA   HIS  78           HA       HIS  78  -2.216 -12.639  21.174
  616   1HB   HIS  78          2HB       HIS  78  -3.536 -14.058  19.509
  617   2HB   HIS  78          1HB       HIS  78  -2.999 -12.480  18.951
  618    HD1  HIS  78           1HD      HIS  78  -0.702 -15.447  19.050
  619    HD2  HIS  78           2HD      HIS  78  -2.852 -13.210  16.283
  620    HE1  HIS  78           1HE      HIS  78   0.101 -16.223  16.798
  621    HE2  HIS  78           2HE      HIS  78  -1.139 -14.786  15.135
  622    H    HIS  79           H        HIS  79  -3.209 -14.318  22.315
  623    HA   HIS  79           HA       HIS  79  -1.446 -16.555  22.893
  624   1HB   HIS  79          2HB       HIS  79  -4.048 -15.748  24.212
  625   2HB   HIS  79          1HB       HIS  79  -2.918 -16.965  24.795
  626    HD1  HIS  79           1HD      HIS  79  -1.447 -13.836  23.472
  627    HD2  HIS  79           2HD      HIS  79  -2.626 -15.365  27.149
  628    HE1  HIS  79           1HE      HIS  79  -0.423 -12.306  25.177
  629    HE2  HIS  79           2HE      HIS  79  -1.033 -13.328  27.406
  630    H    HIS  80           H        HIS  80  -1.636 -18.387  21.797
  631    HA   HIS  80           HA       HIS  80  -3.827 -19.009  20.136
  632   1HB   HIS  80          2HB       HIS  80  -1.243 -19.958  20.475
  633   2HB   HIS  80          1HB       HIS  80  -2.250 -21.319  20.959
  634    HD1  HIS  80           1HD      HIS  80  -4.540 -21.006  18.924
  635    HD2  HIS  80           2HD      HIS  80  -0.512 -20.722  17.963
  636    HE1  HIS  80           1HE      HIS  80  -4.387 -21.540  16.471
  637    HE2  HIS  80           2HE      HIS  80  -1.956 -21.258  15.898
  638    H    HIS  81           H        HIS  81  -5.307 -20.800  20.323
  639    HA   HIS  81           HA       HIS  81  -6.185 -21.176  23.091
  640   1HB   HIS  81          2HB       HIS  81  -7.519 -20.994  20.497
  641   2HB   HIS  81          1HB       HIS  81  -8.114 -22.336  21.480
  642    HD1  HIS  81           1HD      HIS  81  -7.101 -18.818  22.518
  643    HD2  HIS  81           2HD      HIS  81 -10.373 -21.375  22.614
  644    HE1  HIS  81           1HE      HIS  81  -8.881 -17.574  23.782
  645    HE2  HIS  81           2HE      HIS  81 -10.822 -19.184  23.906
  646    H    HIS  82           H        HIS  82  -4.903 -22.824  23.867
  647    HA   HIS  82           HA       HIS  82  -4.460 -25.240  22.360
  648   1HB   HIS  82          2HB       HIS  82  -3.157 -24.006  24.427
  649   2HB   HIS  82          1HB       HIS  82  -3.966 -25.334  25.252
  650    HD1  HIS  82           1HD      HIS  82  -3.134 -27.733  24.738
  651    HD2  HIS  82           2HD      HIS  82  -1.150 -24.751  22.638
  652    HE1  HIS  82           1HE      HIS  82  -1.132 -28.858  23.708
  653    HE2  HIS  82           2HE      HIS  82   0.066 -27.036  22.468
  Start of MODEL   20
    1   1H    MET   1          1HT       MET   1  -6.336   5.860 -15.670
    2   2H    MET   1          2HT       MET   1  -5.034   6.876 -15.212
    3   3H    MET   1          3HT       MET   1  -6.268   7.476 -16.239
    4    HA   MET   1           HA       MET   1  -6.107   7.569 -13.484
    5   1HB   MET   1          2HB       MET   1  -8.236   8.817 -13.779
    6   2HB   MET   1          1HB       MET   1  -6.986   9.320 -14.905
    7   1HG   MET   1          2HG       MET   1  -8.595   7.208 -16.023
    8   2HG   MET   1          1HG       MET   1  -9.594   8.563 -15.501
    9   1HE   MET   1          1HE       MET   1  -9.527  10.669 -18.505
   10   2HE   MET   1          2HE       MET   1 -10.008  10.566 -16.811
   11   3HE   MET   1          3HE       MET   1 -10.424   9.265 -17.926
   12    H    GLN   2           H        GLN   2  -6.285   4.819 -14.023
   13    HA   GLN   2           HA       GLN   2  -8.521   4.134 -12.343
   14   1HB   GLN   2          2HB       GLN   2  -8.551   3.628 -15.244
   15   2HB   GLN   2          1HB       GLN   2  -8.939   2.229 -14.253
   16   1HG   GLN   2          2HG       GLN   2 -10.389   4.423 -13.217
   17   2HG   GLN   2          1HG       GLN   2 -10.588   4.431 -14.969
   18   1HE2  GLN   2          1HE2      GLN   2 -12.517   3.831 -12.849
   19   2HE2  GLN   2          2HE2      GLN   2 -13.107   2.241 -13.180
   20    H    ILE   3           H        ILE   3  -7.722   2.785 -10.912
   21    HA   ILE   3           HA       ILE   3  -5.629   0.875 -11.751
   22    HB   ILE   3           HB       ILE   3  -4.794   0.991  -9.389
   23   1HG1  ILE   3          2HG1      ILE   3  -5.966   3.668  -9.011
   24   2HG1  ILE   3          1HG1      ILE   3  -7.115   2.341  -8.881
   25   1HG2  ILE   3          1HG2      ILE   3  -3.446   2.916  -9.775
   26   2HG2  ILE   3          2HG2      ILE   3  -4.660   3.626 -10.839
   27   3HG2  ILE   3          3HG2      ILE   3  -3.780   2.184 -11.345
   28   1HD1  ILE   3          1HD1      ILE   3  -5.332   1.316  -7.294
   29   2HD1  ILE   3          2HD1      ILE   3  -6.412   2.582  -6.711
   30   3HD1  ILE   3          3HD1      ILE   3  -4.758   2.980  -7.177
   31    H    PHE   4           H        PHE   4  -5.496  -1.096 -10.506
   32    HA   PHE   4           HA       PHE   4  -8.097  -1.928  -9.401
   33   1HB   PHE   4          2HB       PHE   4  -6.228  -3.261 -11.290
   34   2HB   PHE   4          1HB       PHE   4  -6.994  -4.289 -10.085
   35    HD1  PHE   4           1HD      PHE   4  -7.559  -2.143 -13.010
   36    HD2  PHE   4           2HD      PHE   4  -9.348  -4.770 -10.189
   37    HE1  PHE   4           1HE      PHE   4  -9.566  -2.300 -14.426
   38    HE2  PHE   4           2HE      PHE   4 -11.355  -4.929 -11.590
   39    HZ   PHE   4           HZ       PHE   4 -11.465  -3.694 -13.718
   40    H    VAL   5           H        VAL   5  -8.087  -2.860  -7.378
   41    HA   VAL   5           HA       VAL   5  -5.487  -3.565  -6.199
   42    HB   VAL   5           HB       VAL   5  -7.511  -1.879  -4.741
   43   1HG1  VAL   5          1HG1      VAL   5  -5.086  -1.560  -3.513
   44   2HG1  VAL   5          2HG1      VAL   5  -5.058  -3.258  -3.987
   45   3HG1  VAL   5          3HG1      VAL   5  -6.371  -2.646  -2.983
   46   1HG2  VAL   5          1HG2      VAL   5  -5.280  -0.313  -5.043
   47   2HG2  VAL   5          2HG2      VAL   5  -6.773  -0.169  -5.972
   48   3HG2  VAL   5          3HG2      VAL   5  -5.422  -1.100  -6.615
   49    H    LYS   6           H        LYS   6  -5.547  -5.433  -5.147
   50    HA   LYS   6           HA       LYS   6  -8.118  -6.701  -4.667
   51   1HB   LYS   6          2HB       LYS   6  -5.853  -7.739  -5.644
   52   2HB   LYS   6          1HB       LYS   6  -5.577  -8.063  -3.939
   53   1HG   LYS   6          2HG       LYS   6  -7.207  -9.634  -3.828
   54   2HG   LYS   6          1HG       LYS   6  -8.214  -8.834  -5.036
   55   1HD   LYS   6          2HD       LYS   6  -7.037  -9.760  -6.814
   56   2HD   LYS   6          1HD       LYS   6  -5.614 -10.089  -5.825
   57   1HE   LYS   6          2HE       LYS   6  -6.445 -12.203  -5.971
   58   2HE   LYS   6          1HE       LYS   6  -7.326 -11.656  -4.546
   59   1HZ   LYS   6          1HZ       LYS   6  -8.761 -12.765  -6.169
   60   2HZ   LYS   6          2HZ       LYS   6  -8.379 -11.588  -7.322
   61   3HZ   LYS   6          3HZ       LYS   6  -9.224 -11.155  -5.922
   62    H    THR   7           H        THR   7  -9.089  -6.772  -2.784
   63    HA   THR   7           HA       THR   7  -7.702  -5.758  -0.436
   64    HB   THR   7           HB       THR   7 -10.030  -5.887   0.584
   65    HG1  THR   7           1HG      THR   7 -10.854  -6.230  -2.096
   66   1HG2  THR   7          1HG2      THR   7 -10.961  -4.064  -1.024
   67   2HG2  THR   7          2HG2      THR   7  -9.340  -4.133  -1.717
   68   3HG2  THR   7          3HG2      THR   7  -9.557  -3.732  -0.012
   69    H    LEU   8           H        LEU   8  -8.827  -6.922   1.665
   70    HA   LEU   8           HA       LEU   8  -7.606  -9.517   1.710
   71   1HB   LEU   8          2HB       LEU   8  -9.288  -8.100   3.772
   72   2HB   LEU   8          1HB       LEU   8  -8.345  -9.554   4.049
   73    HG   LEU   8           HG       LEU   8  -6.465  -7.815   3.054
   74   1HD1  LEU   8          1HD1      LEU   8  -8.419  -6.284   4.765
   75   2HD1  LEU   8          2HD1      LEU   8  -7.918  -5.913   3.115
   76   3HD1  LEU   8          3HD1      LEU   8  -6.765  -5.765   4.438
   77   1HD2  LEU   8          1HD2      LEU   8  -5.487  -8.559   4.901
   78   2HD2  LEU   8          2HD2      LEU   8  -7.032  -9.236   5.421
   79   3HD2  LEU   8          3HD2      LEU   8  -6.583  -7.607   5.895
   80    H    THR   9           H        THR   9 -10.752  -8.313   1.101
   81    HA   THR   9           HA       THR   9 -12.027 -10.849   1.739
   82    HB   THR   9           HB       THR   9 -14.033  -9.430   0.694
   83    HG1  THR   9           1HG      THR   9 -13.664  -7.210   1.259
   84   1HG2  THR   9          1HG2      THR   9 -13.525  -8.228   3.244
   85   2HG2  THR   9          2HG2      THR   9 -13.152  -9.951   3.294
   86   3HG2  THR   9          3HG2      THR   9 -14.751  -9.409   2.786
   87    H    GLY  10           H        GLY  10 -10.533  -9.325  -0.909
   88   1HA   GLY  10          2HA       GLY  10 -10.097 -10.586  -2.897
   89   2HA   GLY  10          1HA       GLY  10 -11.656 -11.367  -2.692
   90    H    ALA  11           H        ALA  11 -12.617  -8.525  -1.955
   91    HA   ALA  11           HA       ALA  11 -13.647  -7.908  -4.554
   92   1HB   ALA  11          1HB       ALA  11 -14.223  -7.184  -1.823
   93   2HB   ALA  11          2HB       ALA  11 -15.274  -7.167  -3.240
   94   3HB   ALA  11          3HB       ALA  11 -14.259  -5.772  -2.878
   95    H    THR  12           H        THR  12 -12.321  -7.015  -6.020
   96    HA   THR  12           HA       THR  12 -10.132  -5.359  -5.404
   97    HB   THR  12           HB       THR  12 -11.512  -5.342  -8.070
   98    HG1  THR  12           1HG      THR  12 -10.423  -7.281  -8.537
   99   1HG2  THR  12          1HG2      THR  12  -8.976  -5.669  -8.680
  100   2HG2  THR  12          2HG2      THR  12  -8.746  -4.928  -7.104
  101   3HG2  THR  12          3HG2      THR  12  -9.650  -4.076  -8.353
  102    H    ILE  13           H        ILE  13  -9.916  -3.180  -5.288
  103    HA   ILE  13           HA       ILE  13 -12.396  -1.604  -5.522
  104    HB   ILE  13           HB       ILE  13 -11.261   0.032  -3.993
  105   1HG1  ILE  13          2HG1      ILE  13  -9.328  -2.262  -3.595
  106   2HG1  ILE  13          1HG1      ILE  13  -8.953  -0.735  -4.389
  107   1HG2  ILE  13          1HG2      ILE  13 -11.422  -1.659  -1.976
  108   2HG2  ILE  13          2HG2      ILE  13 -12.102  -2.711  -3.218
  109   3HG2  ILE  13          3HG2      ILE  13 -12.856  -1.154  -2.870
  110   1HD1  ILE  13          1HD1      ILE  13  -9.994  -0.700  -1.603
  111   2HD1  ILE  13          2HD1      ILE  13  -8.923   0.435  -2.425
  112   3HD1  ILE  13          3HD1      ILE  13  -8.310  -1.132  -1.898
  113    H    THR  14           H        THR  14 -12.505  -0.039  -6.953
  114    HA   THR  14           HA       THR  14 -10.098   0.674  -8.469
  115    HB   THR  14           HB       THR  14 -12.791   1.657  -9.275
  116    HG1  THR  14           1HG      THR  14 -12.029  -0.986  -9.891
  117   1HG2  THR  14          1HG2      THR  14 -11.876   1.898 -11.278
  118   2HG2  THR  14          2HG2      THR  14 -11.202   0.269 -11.257
  119   3HG2  THR  14          3HG2      THR  14 -10.324   1.596 -10.497
  120    H    LEU  15           H        LEU  15  -9.143   2.626  -8.220
  121    HA   LEU  15           HA       LEU  15 -10.739   4.815  -7.111
  122   1HB   LEU  15          2HB       LEU  15  -9.150   3.396  -5.479
  123   2HB   LEU  15          1HB       LEU  15  -7.989   4.573  -6.064
  124    HG   LEU  15           HG       LEU  15 -10.450   5.873  -5.284
  125   1HD1  LEU  15          1HD1      LEU  15  -9.818   3.663  -3.670
  126   2HD1  LEU  15          2HD1      LEU  15 -10.972   4.955  -3.340
  127   3HD1  LEU  15          3HD1      LEU  15  -9.306   5.096  -2.780
  128   1HD2  LEU  15          1HD2      LEU  15  -8.344   6.606  -3.586
  129   2HD2  LEU  15          2HD2      LEU  15  -8.904   7.442  -5.034
  130   3HD2  LEU  15          3HD2      LEU  15  -7.607   6.254  -5.148
  131    H    GLU  16           H        GLU  16  -9.641   6.894  -7.191
  132    HA   GLU  16           HA       GLU  16  -8.016   7.154  -9.634
  133   1HB   GLU  16          2HB       GLU  16 -10.212   8.809  -8.485
  134   2HB   GLU  16          1HB       GLU  16  -8.932   9.641  -9.355
  135   1HG   GLU  16          2HG       GLU  16  -9.378   8.002 -11.249
  136   2HG   GLU  16          1HG       GLU  16 -10.856   7.585 -10.381
  137    H    VAL  17           H        VAL  17  -6.052   8.170  -9.512
  138    HA   VAL  17           HA       VAL  17  -5.126   8.814  -6.850
  139    HB   VAL  17           HB       VAL  17  -2.900   9.117  -8.061
  140   1HG1  VAL  17          1HG1      VAL  17  -3.787   6.360  -8.600
  141   2HG1  VAL  17          2HG1      VAL  17  -4.067   6.956  -6.963
  142   3HG1  VAL  17          3HG1      VAL  17  -2.435   6.950  -7.633
  143   1HG2  VAL  17          1HG2      VAL  17  -3.928   7.505 -10.298
  144   2HG2  VAL  17          2HG2      VAL  17  -2.670   8.741 -10.269
  145   3HG2  VAL  17          3HG2      VAL  17  -4.368   9.212 -10.311
  146    H    GLU  18           H        GLU  18  -3.732  10.676  -6.500
  147    HA   GLU  18           HA       GLU  18  -4.175  13.037  -8.110
  148   1HB   GLU  18          2HB       GLU  18  -5.255  12.673  -5.342
  149   2HB   GLU  18          1HB       GLU  18  -4.767  14.269  -5.896
  150   1HG   GLU  18          2HG       GLU  18  -6.763  12.525  -7.316
  151   2HG   GLU  18          1HG       GLU  18  -7.186  13.779  -6.152
  152    H    SER  19           H        SER  19  -2.728  14.755  -7.634
  153    HA   SER  19           HA       SER  19  -0.145  13.899  -6.815
  154   1HB   SER  19          2HB       SER  19   0.460  16.307  -7.033
  155   2HB   SER  19          1HB       SER  19  -0.403  15.699  -8.444
  156    HG   SER  19           HG       SER  19  -1.323  17.402  -6.396
  157    H    SER  20           H        SER  20  -2.748  15.687  -5.318
  158    HA   SER  20           HA       SER  20  -1.270  16.270  -2.906
  159   1HB   SER  20          2HB       SER  20  -3.766  16.868  -2.180
  160   2HB   SER  20          1HB       SER  20  -2.820  17.928  -3.224
  161    HG   SER  20           HG       SER  20  -4.931  17.498  -4.046
  162    H    ASP  21           H        ASP  21  -2.272  13.406  -3.933
  163    HA   ASP  21           HA       ASP  21  -3.673  12.502  -1.560
  164   1HB   ASP  21          2HB       ASP  21  -3.434  11.619  -4.239
  165   2HB   ASP  21          1HB       ASP  21  -2.766  10.346  -3.223
  166    H    THR  22           H        THR  22  -2.489  12.238   0.232
  167    HA   THR  22           HA       THR  22   0.189  11.052  -0.030
  168    HB   THR  22           HB       THR  22   0.762  12.104   2.062
  169    HG1  THR  22           1HG      THR  22  -1.861  13.163   2.154
  170   1HG2  THR  22          1HG2      THR  22   1.128  14.105   1.188
  171   2HG2  THR  22          2HG2      THR  22  -0.596  14.456   1.063
  172   3HG2  THR  22          3HG2      THR  22   0.215  13.548  -0.214
  173    H    ILE  23           H        ILE  23   0.797   9.866   2.142
  174    HA   ILE  23           HA       ILE  23  -0.765   7.542   2.285
  175    HB   ILE  23           HB       ILE  23   1.088   8.465   4.478
  176   1HG1  ILE  23          2HG1      ILE  23   2.312   8.739   2.421
  177   2HG1  ILE  23          1HG1      ILE  23   2.880   7.273   3.206
  178   1HG2  ILE  23          1HG2      ILE  23   1.327   6.208   5.024
  179   2HG2  ILE  23          2HG2      ILE  23   0.657   5.669   3.483
  180   3HG2  ILE  23          3HG2      ILE  23  -0.394   6.395   4.699
  181   1HD1  ILE  23          1HD1      ILE  23   2.639   6.971   0.807
  182   2HD1  ILE  23          2HD1      ILE  23   0.929   7.393   0.919
  183   3HD1  ILE  23          3HD1      ILE  23   1.529   5.928   1.697
  184    H    ASP  24           H        ASP  24  -1.014  10.555   3.978
  185    HA   ASP  24           HA       ASP  24  -2.644   9.514   6.128
  186   1HB   ASP  24          2HB       ASP  24  -1.620  12.203   5.318
  187   2HB   ASP  24          1HB       ASP  24  -3.013  12.127   6.392
  188    H    ASN  25           H        ASN  25  -3.107  11.102   3.049
  189    HA   ASN  25           HA       ASN  25  -5.756  11.924   3.281
  190   1HB   ASN  25          2HB       ASN  25  -3.839  11.735   1.232
  191   2HB   ASN  25          1HB       ASN  25  -5.256  10.879   0.637
  192   1HD2  ASN  25          1HD2      ASN  25  -4.668  13.800   2.566
  193   2HD2  ASN  25          2HD2      ASN  25  -5.691  14.831   1.630
  194    H    VAL  26           H        VAL  26  -4.453   8.768   2.333
  195    HA   VAL  26           HA       VAL  26  -6.836   7.536   1.581
  196    HB   VAL  26           HB       VAL  26  -4.583   6.142   3.029
  197   1HG1  VAL  26          1HG1      VAL  26  -6.057   4.455   2.796
  198   2HG1  VAL  26          2HG1      VAL  26  -5.472   4.432   1.131
  199   3HG1  VAL  26          3HG1      VAL  26  -6.964   5.284   1.530
  200   1HG2  VAL  26          1HG2      VAL  26  -3.235   6.354   1.256
  201   2HG2  VAL  26          2HG2      VAL  26  -4.308   7.653   0.735
  202   3HG2  VAL  26          3HG2      VAL  26  -4.541   6.016   0.121
  203    H    LYS  27           H        LYS  27  -5.309   7.727   4.777
  204    HA   LYS  27           HA       LYS  27  -7.240   6.183   6.127
  205   1HB   LYS  27          2HB       LYS  27  -5.061   8.023   6.938
  206   2HB   LYS  27          1HB       LYS  27  -6.307   7.687   8.131
  207   1HG   LYS  27          2HG       LYS  27  -5.285   5.796   8.638
  208   2HG   LYS  27          1HG       LYS  27  -5.581   5.213   7.000
  209   1HD   LYS  27          2HD       LYS  27  -3.497   6.123   6.234
  210   2HD   LYS  27          1HD       LYS  27  -3.223   6.919   7.786
  211   1HE   LYS  27          2HE       LYS  27  -3.678   4.087   8.128
  212   2HE   LYS  27          1HE       LYS  27  -2.347   4.387   7.011
  213   1HZ   LYS  27          1HZ       LYS  27  -2.534   4.927   9.861
  214   2HZ   LYS  27          2HZ       LYS  27  -1.749   6.106   8.937
  215   3HZ   LYS  27          3HZ       LYS  27  -1.190   4.511   8.921
  216    H    SER  28           H        SER  28  -6.935   9.684   5.685
  217    HA   SER  28           HA       SER  28  -9.044  10.483   7.318
  218   1HB   SER  28          2HB       SER  28  -7.224  11.835   5.937
  219   2HB   SER  28          1HB       SER  28  -8.554  11.977   4.785
  220    HG   SER  28           HG       SER  28  -9.075  13.591   6.045
  221    H    LYS  29           H        LYS  29  -9.091   9.685   3.840
  222    HA   LYS  29           HA       LYS  29 -11.845  10.273   3.542
  223   1HB   LYS  29          2HB       LYS  29  -9.708   9.601   1.847
  224   2HB   LYS  29          1HB       LYS  29 -10.941   8.379   1.571
  225   1HG   LYS  29          2HG       LYS  29 -12.547  10.426   1.419
  226   2HG   LYS  29          1HG       LYS  29 -11.061  11.327   1.119
  227   1HD   LYS  29          2HD       LYS  29 -11.975  10.701  -0.998
  228   2HD   LYS  29          1HD       LYS  29 -10.544   9.709  -0.716
  229   1HE   LYS  29          2HE       LYS  29 -11.932   8.038  -1.336
  230   2HE   LYS  29          1HE       LYS  29 -12.419   8.115   0.356
  231   1HZ   LYS  29          1HZ       LYS  29 -13.918   9.997  -1.072
  232   2HZ   LYS  29          2HZ       LYS  29 -14.461   8.599  -0.291
  233   3HZ   LYS  29          3HZ       LYS  29 -13.995   8.531  -1.915
  234    H    ILE  30           H        ILE  30 -10.621   7.825   5.353
  235    HA   ILE  30           HA       ILE  30 -12.541   5.801   4.517
  236    HB   ILE  30           HB       ILE  30 -10.847   5.693   7.005
  237   1HG1  ILE  30          2HG1      ILE  30 -10.046   4.883   4.202
  238   2HG1  ILE  30          1HG1      ILE  30  -9.359   6.206   5.138
  239   1HG2  ILE  30          1HG2      ILE  30 -11.653   3.409   5.242
  240   2HG2  ILE  30          2HG2      ILE  30 -12.744   4.038   6.477
  241   3HG2  ILE  30          3HG2      ILE  30 -11.171   3.388   6.937
  242   1HD1  ILE  30          1HD1      ILE  30  -9.272   3.420   6.199
  243   2HD1  ILE  30          2HD1      ILE  30  -8.216   4.785   6.548
  244   3HD1  ILE  30          3HD1      ILE  30  -8.103   3.957   4.994
  245    H    GLN  31           H        GLN  31 -13.338   8.508   5.615
  246    HA   GLN  31           HA       GLN  31 -14.591   7.785   8.155
  247   1HB   GLN  31          2HB       GLN  31 -14.592  10.390   6.621
  248   2HB   GLN  31          1HB       GLN  31 -15.341  10.150   8.195
  249   1HG   GLN  31          2HG       GLN  31 -13.000   9.389   8.946
  250   2HG   GLN  31          1HG       GLN  31 -12.446  10.178   7.478
  251   1HE2  GLN  31          1HE2      GLN  31 -12.755  12.430   7.245
  252   2HE2  GLN  31          2HE2      GLN  31 -12.963  13.444   8.627
  253    H    ALA  32           H        ALA  32 -15.490   6.424   5.762
  254    HA   ALA  32           HA       ALA  32 -18.184   7.521   5.383
  255   1HB   ALA  32          1HB       ALA  32 -17.697   7.031   3.258
  256   2HB   ALA  32          2HB       ALA  32 -17.999   5.353   3.706
  257   3HB   ALA  32          3HB       ALA  32 -16.352   5.985   3.712
  258    H    ALA  33           H        ALA  33 -17.144   4.141   5.212
  259    HA   ALA  33           HA       ALA  33 -19.337   3.437   7.030
  260   1HB   ALA  33          1HB       ALA  33 -18.132   1.118   5.940
  261   2HB   ALA  33          2HB       ALA  33 -18.314   2.289   4.634
  262   3HB   ALA  33          3HB       ALA  33 -19.718   1.801   5.582
  263    HA   PRO  34           HA       PRO  34 -16.086   2.747  10.082
  264   1HB   PRO  34          2HB       PRO  34 -17.711   2.275  12.181
  265   2HB   PRO  34          1HB       PRO  34 -17.446   3.902  11.544
  266   1HG   PRO  34          2HG       PRO  34 -19.737   2.034  11.072
  267   2HG   PRO  34          1HG       PRO  34 -19.763   3.777  11.395
  268   1HD   PRO  34          2HD       PRO  34 -20.005   2.718   8.896
  269   2HD   PRO  34          1HD       PRO  34 -19.300   4.316   9.212
  270    H    GLY  35           H        GLY  35 -16.282   0.969  12.111
  271   1HA   GLY  35          2HA       GLY  35 -16.686  -1.318  12.639
  272   2HA   GLY  35          1HA       GLY  35 -17.049  -1.615  10.944
  273    H    ILE  36           H        ILE  36 -14.721  -0.169  10.000
  274    HA   ILE  36           HA       ILE  36 -12.679  -2.198  10.615
  275    HB   ILE  36           HB       ILE  36 -11.668  -1.494   8.416
  276   1HG1  ILE  36          2HG1      ILE  36 -14.117  -0.521   7.257
  277   2HG1  ILE  36          1HG1      ILE  36 -13.648   0.518   8.598
  278   1HG2  ILE  36          1HG2      ILE  36 -12.648  -3.483   8.065
  279   2HG2  ILE  36          2HG2      ILE  36 -13.843  -2.536   7.179
  280   3HG2  ILE  36          3HG2      ILE  36 -14.149  -2.999   8.852
  281   1HD1  ILE  36          1HD1      ILE  36 -12.625   0.460   5.966
  282   2HD1  ILE  36          2HD1      ILE  36 -11.331  -0.020   7.066
  283   3HD1  ILE  36          3HD1      ILE  36 -12.170   1.513   7.304
  284    HA   PRO  37           HA       PRO  37 -10.023   1.022  12.090
  285   1HB   PRO  37          2HB       PRO  37  -7.660  -0.216  12.007
  286   2HB   PRO  37          1HB       PRO  37  -8.946  -0.781  13.081
  287   1HG   PRO  37          2HG       PRO  37  -8.056  -1.878  10.450
  288   2HG   PRO  37          1HG       PRO  37  -8.555  -2.743  11.912
  289   1HD   PRO  37          2HD       PRO  37 -10.168  -2.261   9.702
  290   2HD   PRO  37          1HD       PRO  37 -10.754  -2.667  11.326
  291    HA   PRO  38           HA       PRO  38  -8.513   2.902   8.302
  292   1HB   PRO  38          2HB       PRO  38  -7.987   5.334   9.268
  293   2HB   PRO  38          1HB       PRO  38  -9.650   4.751   9.112
  294   1HG   PRO  38          2HG       PRO  38  -7.914   4.897  11.547
  295   2HG   PRO  38          1HG       PRO  38  -9.634   5.293  11.371
  296   1HD   PRO  38          2HD       PRO  38  -8.674   2.913  12.381
  297   2HD   PRO  38          1HD       PRO  38 -10.279   3.123  11.655
  298    H    ASP  39           H        ASP  39  -6.683   3.046  11.330
  299    HA   ASP  39           HA       ASP  39  -4.218   3.779  10.067
  300   1HB   ASP  39          2HB       ASP  39  -4.896   2.849  12.864
  301   2HB   ASP  39          1HB       ASP  39  -3.263   3.265  12.351
  302    H    GLN  40           H        GLN  40  -5.956   0.965  10.149
  303    HA   GLN  40           HA       GLN  40  -3.611  -0.772  10.245
  304   1HB   GLN  40          2HB       GLN  40  -6.076  -1.144  11.289
  305   2HB   GLN  40          1HB       GLN  40  -6.280  -1.931   9.730
  306   1HG   GLN  40          2HG       GLN  40  -4.293  -3.313  10.207
  307   2HG   GLN  40          1HG       GLN  40  -4.197  -2.573  11.803
  308   1HE2  GLN  40          1HE2      GLN  40  -5.855  -3.000  13.315
  309   2HE2  GLN  40          2HE2      GLN  40  -6.845  -4.410  13.175
  310    H    GLN  41           H        GLN  41  -4.606   1.150   7.993
  311    HA   GLN  41           HA       GLN  41  -4.514  -0.886   5.858
  312   1HB   GLN  41          2HB       GLN  41  -6.113   1.558   6.188
  313   2HB   GLN  41          1HB       GLN  41  -5.362   1.406   4.606
  314   1HG   GLN  41          2HG       GLN  41  -6.369  -1.071   4.881
  315   2HG   GLN  41          1HG       GLN  41  -7.535  -0.155   5.833
  316   1HE2  GLN  41          1HE2      GLN  41  -8.088   2.029   4.647
  317   2HE2  GLN  41          2HE2      GLN  41  -8.567   1.833   2.998
  318    H    GLU  42           H        GLU  42  -2.838  -0.874   4.524
  319    HA   GLU  42           HA       GLU  42  -1.314   1.530   4.027
  320   1HB   GLU  42          2HB       GLU  42  -0.334  -0.638   5.779
  321   2HB   GLU  42          1HB       GLU  42   0.808  -0.038   4.584
  322   1HG   GLU  42          2HG       GLU  42  -0.026   2.297   5.529
  323   2HG   GLU  42          1HG       GLU  42  -0.353   1.307   6.952
  324    H    LEU  43           H        LEU  43   0.233   1.307   2.254
  325    HA   LEU  43           HA       LEU  43  -0.541  -0.861   0.445
  326   1HB   LEU  43          2HB       LEU  43  -0.609   1.489  -0.380
  327   2HB   LEU  43          1HB       LEU  43   1.118   1.607  -0.103
  328    HG   LEU  43           HG       LEU  43   1.183  -0.490  -1.714
  329   1HD1  LEU  43          1HD1      LEU  43  -1.512  -0.037  -1.734
  330   2HD1  LEU  43          2HD1      LEU  43  -0.612  -0.906  -2.976
  331   3HD1  LEU  43          3HD1      LEU  43  -0.979   0.805  -3.188
  332   1HD2  LEU  43          1HD2      LEU  43   2.413   1.298  -2.440
  333   2HD2  LEU  43          2HD2      LEU  43   1.064   2.425  -2.303
  334   3HD2  LEU  43          3HD2      LEU  43   1.130   1.289  -3.651
  335    H    ILE  44           H        ILE  44   0.926  -2.363  -0.291
  336    HA   ILE  44           HA       ILE  44   3.711  -2.110   0.536
  337    HB   ILE  44           HB       ILE  44   2.216  -4.631   1.233
  338   1HG1  ILE  44          2HG1      ILE  44   3.162  -3.236   3.553
  339   2HG1  ILE  44          1HG1      ILE  44   2.124  -2.162   2.631
  340   1HG2  ILE  44          1HG2      ILE  44   4.619  -4.188   2.712
  341   2HG2  ILE  44          2HG2      ILE  44   4.952  -4.003   0.989
  342   3HG2  ILE  44          3HG2      ILE  44   4.225  -5.491   1.592
  343   1HD1  ILE  44          1HD1      ILE  44   0.397  -3.147   3.589
  344   2HD1  ILE  44          2HD1      ILE  44   1.432  -4.388   4.295
  345   3HD1  ILE  44          3HD1      ILE  44   0.789  -4.599   2.666
  346    H    PHE  45           H        PHE  45   5.124  -2.979  -0.889
  347    HA   PHE  45           HA       PHE  45   4.067  -4.243  -3.277
  348   1HB   PHE  45          2HB       PHE  45   6.302  -2.618  -2.656
  349   2HB   PHE  45          1HB       PHE  45   6.931  -4.155  -3.233
  350    HD1  PHE  45           1HD      PHE  45   4.869  -1.237  -4.088
  351    HD2  PHE  45           2HD      PHE  45   6.750  -4.775  -5.518
  352    HE1  PHE  45           1HE      PHE  45   4.496  -0.496  -6.402
  353    HE2  PHE  45           2HE      PHE  45   6.380  -4.041  -7.837
  354    HZ   PHE  45           HZ       PHE  45   5.254  -1.897  -8.281
  355    H    ALA  46           H        ALA  46   4.038  -5.677  -0.654
  356    HA   ALA  46           HA       ALA  46   4.338  -7.807   0.098
  357   1HB   ALA  46          1HB       ALA  46   3.708  -8.762  -1.932
  358   2HB   ALA  46          2HB       ALA  46   5.289  -9.479  -1.623
  359   3HB   ALA  46          3HB       ALA  46   5.133  -8.155  -2.775
  360    H    GLY  47           H        GLY  47   7.114  -7.162  -2.052
  361   1HA   GLY  47          2HA       GLY  47   8.914  -7.874   0.175
  362   2HA   GLY  47          1HA       GLY  47   9.339  -7.926  -1.533
  363    H    LYS  48           H        LYS  48   7.636  -5.177  -1.421
  364    HA   LYS  48           HA       LYS  48   9.941  -3.550  -0.526
  365   1HB   LYS  48          2HB       LYS  48   9.229  -3.764  -3.118
  366   2HB   LYS  48          1HB       LYS  48   8.156  -2.463  -2.631
  367   1HG   LYS  48          2HG       LYS  48   9.822  -0.975  -2.413
  368   2HG   LYS  48          1HG       LYS  48  10.963  -2.176  -1.803
  369   1HD   LYS  48          2HD       LYS  48  10.693  -3.052  -4.325
  370   2HD   LYS  48          1HD       LYS  48  10.385  -1.333  -4.578
  371   1HE   LYS  48          2HE       LYS  48  12.739  -2.215  -2.959
  372   2HE   LYS  48          1HE       LYS  48  12.817  -2.252  -4.720
  373   1HZ   LYS  48          1HZ       LYS  48  12.099   0.139  -4.641
  374   2HZ   LYS  48          2HZ       LYS  48  13.656  -0.171  -4.054
  375   3HZ   LYS  48          3HZ       LYS  48  12.384   0.100  -2.973
  376    H    GLN  49           H        GLN  49   9.319  -2.589   1.316
  377    HA   GLN  49           HA       GLN  49   6.527  -1.966   1.775
  378   1HB   GLN  49          2HB       GLN  49   9.005  -1.845   3.475
  379   2HB   GLN  49          1HB       GLN  49   7.475  -1.172   4.021
  380   1HG   GLN  49          2HG       GLN  49   6.425  -3.360   3.792
  381   2HG   GLN  49          1HG       GLN  49   7.956  -4.036   3.236
  382   1HE2  GLN  49          1HE2      GLN  49   9.809  -3.749   4.757
  383   2HE2  GLN  49          2HE2      GLN  49   9.486  -3.942   6.443
  384    H    LEU  50           H        LEU  50   5.602  -0.002   1.667
  385    HA   LEU  50           HA       LEU  50   7.152   2.192   0.628
  386   1HB   LEU  50          2HB       LEU  50   4.352   1.455   0.801
  387   2HB   LEU  50          1HB       LEU  50   4.600   3.140   1.213
  388    HG   LEU  50           HG       LEU  50   4.091   2.669  -1.211
  389   1HD1  LEU  50          1HD1      LEU  50   6.552   3.959  -1.659
  390   2HD1  LEU  50          2HD1      LEU  50   6.025   4.419  -0.038
  391   3HD1  LEU  50          3HD1      LEU  50   4.967   4.695  -1.422
  392   1HD2  LEU  50          1HD2      LEU  50   5.704   1.695  -2.611
  393   2HD2  LEU  50          2HD2      LEU  50   5.595   0.617  -1.219
  394   3HD2  LEU  50          3HD2      LEU  50   6.944   1.747  -1.358
  395    H    GLU  51           H        GLU  51   7.290   4.270   1.549
  396    HA   GLU  51           HA       GLU  51   7.506   4.219   4.459
  397   1HB   GLU  51          2HB       GLU  51   8.986   5.415   2.390
  398   2HB   GLU  51          1HB       GLU  51   8.227   6.746   3.251
  399   1HG   GLU  51          2HG       GLU  51   9.332   6.274   5.222
  400   2HG   GLU  51          1HG       GLU  51   9.645   4.600   4.766
  401    H    ASP  52           H        ASP  52   6.329   5.525   5.844
  402    HA   ASP  52           HA       ASP  52   3.750   6.291   5.066
  403   1HB   ASP  52          2HB       ASP  52   5.077   6.012   7.466
  404   2HB   ASP  52          1HB       ASP  52   4.772   7.746   7.393
  405    H    GLY  53           H        GLY  53   6.766   8.059   5.117
  406   1HA   GLY  53          2HA       GLY  53   5.498  10.624   4.621
  407   2HA   GLY  53          1HA       GLY  53   7.223  10.307   4.690
  408    H    ARG  54           H        ARG  54   4.985   8.471   2.692
  409    HA   ARG  54           HA       ARG  54   6.403   9.493   0.331
  410   1HB   ARG  54          2HB       ARG  54   5.820   6.882   1.164
  411   2HB   ARG  54          1HB       ARG  54   4.764   7.179  -0.206
  412   1HG   ARG  54          2HG       ARG  54   6.642   6.308  -1.203
  413   2HG   ARG  54          1HG       ARG  54   6.923   8.044  -1.349
  414   1HD   ARG  54          2HD       ARG  54   8.282   7.942   0.725
  415   2HD   ARG  54          1HD       ARG  54   8.081   6.190   0.727
  416    HE   ARG  54           HE       ARG  54   9.100   6.650  -1.718
  417   1HH1  ARG  54          1HH1      ARG  54  10.098   7.669   1.469
  418   2HH1  ARG  54          2HH1      ARG  54  11.776   7.760   1.049
  419   1HH2  ARG  54          1HH2      ARG  54  11.301   6.769  -2.272
  420   2HH2  ARG  54          2HH2      ARG  54  12.460   7.249  -1.078
  421    H    THR  55           H        THR  55   5.352  10.474  -1.305
  422    HA   THR  55           HA       THR  55   2.476  10.883  -0.936
  423    HB   THR  55           HB       THR  55   2.959  12.679  -2.790
  424    HG1  THR  55           1HG      THR  55   5.509  12.592  -1.589
  425   1HG2  THR  55          1HG2      THR  55   3.906  13.037   0.040
  426   2HG2  THR  55          2HG2      THR  55   2.272  13.305  -0.567
  427   3HG2  THR  55          3HG2      THR  55   3.593  14.339  -1.108
  428    H    LEU  56           H        LEU  56   1.217  11.139  -3.097
  429    HA   LEU  56           HA       LEU  56   1.438   8.662  -4.431
  430   1HB   LEU  56          2HB       LEU  56  -0.498  10.599  -4.215
  431   2HB   LEU  56          1HB       LEU  56  -0.037  10.700  -5.903
  432    HG   LEU  56           HG       LEU  56  -0.478   8.300  -6.168
  433   1HD1  LEU  56          1HD1      LEU  56  -1.011   6.891  -4.498
  434   2HD1  LEU  56          2HD1      LEU  56  -1.910   8.116  -3.601
  435   3HD1  LEU  56          3HD1      LEU  56  -0.151   8.069  -3.511
  436   1HD2  LEU  56          1HD2      LEU  56  -2.674   9.997  -5.057
  437   2HD2  LEU  56          2HD2      LEU  56  -2.953   8.438  -5.820
  438   3HD2  LEU  56          3HD2      LEU  56  -2.227   9.757  -6.738
  439    H    SER  57           H        SER  57   2.027  11.964  -5.647
  440    HA   SER  57           HA       SER  57   2.964  11.267  -8.169
  441   1HB   SER  57          2HB       SER  57   2.539  13.621  -7.010
  442   2HB   SER  57          1HB       SER  57   4.281  13.544  -6.750
  443    HG   SER  57           HG       SER  57   2.994  14.210  -8.963
  444    H    ASP  58           H        ASP  58   4.504  11.123  -5.085
  445    HA   ASP  58           HA       ASP  58   7.199  10.920  -5.896
  446   1HB   ASP  58          2HB       ASP  58   5.883  10.928  -3.476
  447   2HB   ASP  58          1HB       ASP  58   6.491   9.281  -3.569
  448    H    TYR  59           H        TYR  59   5.170   8.227  -4.704
  449    HA   TYR  59           HA       TYR  59   6.786   6.346  -6.224
  450   1HB   TYR  59          2HB       TYR  59   5.767   6.126  -3.776
  451   2HB   TYR  59          1HB       TYR  59   4.400   5.464  -4.668
  452    HD1  TYR  59           1HD      TYR  59   7.804   4.896  -3.536
  453    HD2  TYR  59           2HD      TYR  59   4.687   3.406  -6.018
  454    HE1  TYR  59           1HE      TYR  59   8.951   2.724  -3.665
  455    HE2  TYR  59           2HE      TYR  59   5.823   1.234  -6.154
  456    HH   TYR  59           HH       TYR  59   8.142   0.238  -4.121
  457    H    ASN  60           H        ASN  60   5.038   8.168  -7.704
  458    HA   ASN  60           HA       ASN  60   3.146   6.264  -8.921
  459   1HB   ASN  60          2HB       ASN  60   2.128   8.349  -8.022
  460   2HB   ASN  60          1HB       ASN  60   3.135   9.287  -9.122
  461   1HD2  ASN  60          1HD2      ASN  60   0.627   6.834  -8.950
  462   2HD2  ASN  60          2HD2      ASN  60  -0.079   7.184 -10.488
  463    H    ILE  61           H        ILE  61   4.126   5.318 -10.523
  464    HA   ILE  61           HA       ILE  61   5.964   6.765 -12.294
  465    HB   ILE  61           HB       ILE  61   6.492   4.500 -13.182
  466   1HG1  ILE  61          2HG1      ILE  61   4.745   3.495 -10.924
  467   2HG1  ILE  61          1HG1      ILE  61   4.262   3.498 -12.618
  468   1HG2  ILE  61          1HG2      ILE  61   8.118   4.568 -11.678
  469   2HG2  ILE  61          2HG2      ILE  61   7.047   3.829 -10.488
  470   3HG2  ILE  61          3HG2      ILE  61   7.127   5.585 -10.634
  471   1HD1  ILE  61          1HD1      ILE  61   5.915   1.628 -11.163
  472   2HD1  ILE  61          2HD1      ILE  61   6.707   2.214 -12.626
  473   3HD1  ILE  61          3HD1      ILE  61   5.117   1.458 -12.726
  474    H    GLN  62           H        GLN  62   5.430   4.845 -14.511
  475    HA   GLN  62           HA       GLN  62   3.392   6.336 -15.814
  476   1HB   GLN  62          2HB       GLN  62   4.570   3.707 -16.719
  477   2HB   GLN  62          1HB       GLN  62   3.816   4.940 -17.720
  478   1HG   GLN  62          2HG       GLN  62   5.831   6.336 -16.519
  479   2HG   GLN  62          1HG       GLN  62   6.553   4.739 -16.722
  480   1HE2  GLN  62          1HE2      GLN  62   6.870   7.460 -18.054
  481   2HE2  GLN  62          2HE2      GLN  62   6.819   7.096 -19.741
  482    H    LYS  63           H        LYS  63   1.305   6.062 -15.777
  483    HA   LYS  63           HA       LYS  63  -0.232   4.566 -14.213
  484   1HB   LYS  63          2HB       LYS  63  -2.047   4.713 -15.894
  485   2HB   LYS  63          1HB       LYS  63  -1.183   6.229 -15.670
  486   1HG   LYS  63          2HG       LYS  63  -0.298   6.201 -17.760
  487   2HG   LYS  63          1HG       LYS  63  -0.245   4.440 -17.837
  488   1HD   LYS  63          2HD       LYS  63  -2.155   4.413 -18.976
  489   2HD   LYS  63          1HD       LYS  63  -2.971   5.259 -17.662
  490   1HE   LYS  63          2HE       LYS  63  -1.330   7.072 -19.194
  491   2HE   LYS  63          1HE       LYS  63  -2.461   6.213 -20.239
  492   1HZ   LYS  63          1HZ       LYS  63  -4.265   6.904 -18.771
  493   2HZ   LYS  63          2HZ       LYS  63  -3.441   8.241 -19.399
  494   3HZ   LYS  63          3HZ       LYS  63  -3.169   7.756 -17.802
  495    H    GLU  64           H        GLU  64  -1.675   2.712 -14.573
  496    HA   GLU  64           HA       GLU  64  -2.147   0.541 -15.105
  497   1HB   GLU  64          2HB       GLU  64  -0.177   1.131 -17.294
  498   2HB   GLU  64          1HB       GLU  64  -0.672  -0.524 -16.985
  499   1HG   GLU  64          2HG       GLU  64  -3.079   0.630 -17.075
  500   2HG   GLU  64          1HG       GLU  64  -2.193   1.734 -18.126
  501    H    SER  65           H        SER  65  -1.424   0.100 -13.036
  502    HA   SER  65           HA       SER  65   0.753  -1.751 -12.879
  503   1HB   SER  65          2HB       SER  65   1.090   1.030 -11.916
  504   2HB   SER  65          1HB       SER  65   1.596  -0.233 -10.794
  505    HG   SER  65           HG       SER  65   2.795  -1.104 -12.663
  506    H    THR  66           H        THR  66   0.159  -3.282 -11.506
  507    HA   THR  66           HA       THR  66  -2.244  -3.111 -10.021
  508    HB   THR  66           HB       THR  66  -1.708  -5.349  -9.225
  509    HG1  THR  66           1HG      THR  66   0.339  -6.247  -9.788
  510   1HG2  THR  66          1HG2      THR  66  -2.358  -4.975 -11.671
  511   2HG2  THR  66          2HG2      THR  66  -1.647  -6.528 -11.225
  512   3HG2  THR  66          3HG2      THR  66  -0.663  -5.302 -12.027
  513    H    LEU  67           H        LEU  67  -2.648  -2.860  -7.876
  514    HA   LEU  67           HA       LEU  67  -0.359  -2.080  -6.199
  515   1HB   LEU  67          2HB       LEU  67  -3.204  -1.085  -6.045
  516   2HB   LEU  67          1HB       LEU  67  -1.900  -0.608  -4.975
  517    HG   LEU  67           HG       LEU  67  -1.908  -0.100  -7.947
  518   1HD1  LEU  67          1HD1      LEU  67  -2.122   2.300  -6.482
  519   2HD1  LEU  67          2HD1      LEU  67  -3.376   1.213  -5.888
  520   3HD1  LEU  67          3HD1      LEU  67  -3.281   1.595  -7.607
  521   1HD2  LEU  67          1HD2      LEU  67  -0.279   1.570  -6.191
  522   2HD2  LEU  67          2HD2      LEU  67   0.133   0.779  -7.714
  523   3HD2  LEU  67          3HD2      LEU  67   0.199  -0.128  -6.202
  524    H    HIS  68           H        HIS  68  -0.198  -2.975  -4.131
  525    HA   HIS  68           HA       HIS  68  -2.283  -4.954  -3.456
  526   1HB   HIS  68          2HB       HIS  68   0.151  -5.689  -4.170
  527   2HB   HIS  68          1HB       HIS  68   0.529  -5.281  -2.499
  528    HD1  HIS  68           1HD      HIS  68   0.757  -7.499  -1.403
  529    HD2  HIS  68           2HD      HIS  68  -2.655  -7.260  -3.762
  530    HE1  HIS  68           1HE      HIS  68  -0.502  -9.634  -0.983
  531    HE2  HIS  68           2HE      HIS  68  -2.521  -9.503  -2.484
  532    H    LEU  69           H        LEU  69  -3.329  -4.570  -1.616
  533    HA   LEU  69           HA       LEU  69  -1.991  -2.935   0.444
  534   1HB   LEU  69          2HB       LEU  69  -4.315  -2.364  -0.900
  535   2HB   LEU  69          1HB       LEU  69  -4.919  -3.117   0.565
  536    HG   LEU  69           HG       LEU  69  -2.862  -1.064   1.013
  537   1HD1  LEU  69          1HD1      LEU  69  -4.154  -0.152  -0.928
  538   2HD1  LEU  69          2HD1      LEU  69  -4.223   0.826   0.539
  539   3HD1  LEU  69          3HD1      LEU  69  -5.591  -0.195   0.095
  540   1HD2  LEU  69          1HD2      LEU  69  -4.164  -2.214   2.783
  541   2HD2  LEU  69          2HD2      LEU  69  -5.622  -1.444   2.156
  542   3HD2  LEU  69          3HD2      LEU  69  -4.321  -0.458   2.823
  543    H    VAL  70           H        VAL  70  -1.507  -4.008   2.259
  544    HA   VAL  70           HA       VAL  70  -3.052  -6.437   2.876
  545    HB   VAL  70           HB       VAL  70  -0.246  -5.833   3.800
  546   1HG1  VAL  70          1HG1      VAL  70  -0.729  -8.591   3.667
  547   2HG1  VAL  70          2HG1      VAL  70  -2.150  -7.884   4.431
  548   3HG1  VAL  70          3HG1      VAL  70  -0.549  -7.597   5.110
  549   1HG2  VAL  70          1HG2      VAL  70  -0.873  -7.787   1.626
  550   2HG2  VAL  70          2HG2      VAL  70   0.650  -6.984   2.004
  551   3HG2  VAL  70          3HG2      VAL  70  -0.659  -6.078   1.244
  552    H    LEU  71           H        LEU  71  -3.574  -6.918   5.048
  553    HA   LEU  71           HA       LEU  71  -3.607  -4.570   6.840
  554   1HB   LEU  71          2HB       LEU  71  -5.798  -5.363   6.017
  555   2HB   LEU  71          1HB       LEU  71  -5.461  -6.928   6.717
  556    HG   LEU  71           HG       LEU  71  -5.189  -5.180   8.858
  557   1HD1  LEU  71          1HD1      LEU  71  -6.728  -3.863   6.908
  558   2HD1  LEU  71          2HD1      LEU  71  -6.507  -3.417   8.597
  559   3HD1  LEU  71          3HD1      LEU  71  -7.860  -4.445   8.131
  560   1HD2  LEU  71          1HD2      LEU  71  -7.236  -6.262   9.658
  561   2HD2  LEU  71          2HD2      LEU  71  -6.149  -7.428   8.908
  562   3HD2  LEU  71          3HD2      LEU  71  -7.563  -6.852   8.029
  563    H    ARG  72           H        ARG  72  -1.901  -4.863   8.186
  564    HA   ARG  72           HA       ARG  72  -1.517  -7.511   9.401
  565   1HB   ARG  72          2HB       ARG  72   0.282  -5.568   8.391
  566   2HB   ARG  72          1HB       ARG  72   0.539  -5.658  10.129
  567   1HG   ARG  72          2HG       ARG  72   0.776  -8.115   9.913
  568   2HG   ARG  72          1HG       ARG  72   0.664  -7.930   8.162
  569   1HD   ARG  72          2HD       ARG  72   2.620  -6.387   8.277
  570   2HD   ARG  72          1HD       ARG  72   2.770  -6.789   9.989
  571    HE   ARG  72           HE       ARG  72   3.611  -8.380   7.773
  572   1HH1  ARG  72          1HH1      ARG  72   2.417  -8.530  11.049
  573   2HH1  ARG  72          2HH1      ARG  72   3.134 -10.073  11.372
  574   1HH2  ARG  72          1HH2      ARG  72   4.557 -10.406   8.195
  575   2HH2  ARG  72          2HH2      ARG  72   4.352 -11.140   9.750
  576    H    LEU  73           H        LEU  73  -1.680  -7.830  11.594
  577    HA   LEU  73           HA       LEU  73  -2.915  -5.671  13.108
  578   1HB   LEU  73          2HB       LEU  73  -3.291  -8.424  13.004
  579   2HB   LEU  73          1HB       LEU  73  -2.492  -8.164  14.544
  580    HG   LEU  73           HG       LEU  73  -4.682  -6.287  14.071
  581   1HD1  LEU  73          1HD1      LEU  73  -5.118  -9.130  13.568
  582   2HD1  LEU  73          2HD1      LEU  73  -6.138  -7.739  13.197
  583   3HD1  LEU  73          3HD1      LEU  73  -6.176  -8.456  14.808
  584   1HD2  LEU  73          1HD2      LEU  73  -3.346  -6.899  16.209
  585   2HD2  LEU  73          2HD2      LEU  73  -4.468  -8.256  16.310
  586   3HD2  LEU  73          3HD2      LEU  73  -5.080  -6.602  16.325
  587    H    ARG  74           H        ARG  74  -2.089  -4.806  14.975
  588    HA   ARG  74           HA       ARG  74   0.487  -5.703  15.971
  589   1HB   ARG  74          2HB       ARG  74   0.150  -3.346  14.302
  590   2HB   ARG  74          1HB       ARG  74   0.834  -2.939  15.871
  591   1HG   ARG  74          2HG       ARG  74   2.301  -5.131  15.164
  592   2HG   ARG  74          1HG       ARG  74   2.026  -4.345  13.609
  593   1HD   ARG  74          2HD       ARG  74   2.677  -2.299  15.425
  594   2HD   ARG  74          1HD       ARG  74   3.814  -3.611  15.731
  595    HE   ARG  74           HE       ARG  74   3.491  -2.933  12.947
  596   1HH1  ARG  74          1HH1      ARG  74   5.251  -2.273  15.891
  597   2HH1  ARG  74          2HH1      ARG  74   6.636  -1.641  15.067
  598   1HH2  ARG  74          1HH2      ARG  74   5.313  -2.095  11.867
  599   2HH2  ARG  74          2HH2      ARG  74   6.669  -1.533  12.787
  600    H    GLY  75           H        GLY  75  -2.442  -5.263  16.799
  601   1HA   GLY  75          2HA       GLY  75  -2.309  -3.288  18.877
  602   2HA   GLY  75          1HA       GLY  75  -3.624  -4.415  18.584
  603    H    GLY  76           H        GLY  76  -3.195  -4.014  21.086
  604   1HA   GLY  76          2HA       GLY  76  -1.161  -5.507  22.368
  605   2HA   GLY  76          1HA       GLY  76  -2.655  -4.962  23.115
  606    H    HIS  77           H        HIS  77  -1.274  -7.452  23.513
  607    HA   HIS  77           HA       HIS  77  -3.008  -9.437  22.257
  608   1HB   HIS  77          2HB       HIS  77  -1.493 -11.093  23.390
  609   2HB   HIS  77          1HB       HIS  77  -0.694 -10.043  22.228
  610    HD1  HIS  77           1HD      HIS  77   0.506  -7.849  23.463
  611    HD2  HIS  77           2HD      HIS  77  -0.181 -11.259  25.735
  612    HE1  HIS  77           1HE      HIS  77   2.020  -7.642  25.460
  613    HE2  HIS  77           2HE      HIS  77   1.566  -9.703  26.836
  614    H    HIS  78           H        HIS  78  -3.428 -11.377  23.947
  615    HA   HIS  78           HA       HIS  78  -4.620 -10.171  26.355
  616   1HB   HIS  78          2HB       HIS  78  -6.493 -11.844  26.071
  617   2HB   HIS  78          1HB       HIS  78  -6.451 -10.553  24.876
  618    HD1  HIS  78           1HD      HIS  78  -6.298 -11.230  22.464
  619    HD2  HIS  78           2HD      HIS  78  -5.563 -14.389  25.062
  620    HE1  HIS  78           1HE      HIS  78  -6.191 -13.282  21.012
  621    HE2  HIS  78           2HE      HIS  78  -5.816 -15.192  22.615
  622    H    HIS  79           H        HIS  79  -4.700 -11.472  28.210
  623    HA   HIS  79           HA       HIS  79  -2.568 -13.351  28.443
  624   1HB   HIS  79          2HB       HIS  79  -4.207 -11.832  30.207
  625   2HB   HIS  79          1HB       HIS  79  -4.321 -13.520  30.693
  626    HD1  HIS  79           1HD      HIS  79  -2.069 -10.604  30.738
  627    HD2  HIS  79           2HD      HIS  79  -1.807 -14.691  31.443
  628    HE1  HIS  79           1HE      HIS  79   0.109 -10.939  31.952
  629    HE2  HIS  79           2HE      HIS  79   0.268 -13.425  32.328
  630    H    HIS  80           H        HIS  80  -2.668 -15.563  28.923
  631    HA   HIS  80           HA       HIS  80  -5.092 -16.876  27.919
  632   1HB   HIS  80          2HB       HIS  80  -2.207 -17.479  27.789
  633   2HB   HIS  80          1HB       HIS  80  -3.243 -18.870  28.083
  634    HD1  HIS  80           1HD      HIS  80  -5.623 -18.125  26.273
  635    HD2  HIS  80           2HD      HIS  80  -1.635 -17.818  25.149
  636    HE1  HIS  80           1HE      HIS  80  -5.624 -18.213  23.760
  637    HE2  HIS  80           2HE      HIS  80  -3.195 -18.093  23.105
  638    H    HIS  81           H        HIS  81  -6.448 -17.450  29.471
  639    HA   HIS  81           HA       HIS  81  -5.479 -18.180  32.123
  640   1HB   HIS  81          2HB       HIS  81  -8.299 -17.925  31.050
  641   2HB   HIS  81          1HB       HIS  81  -7.865 -18.204  32.734
  642    HD1  HIS  81           1HD      HIS  81  -7.026 -15.605  30.074
  643    HD2  HIS  81           2HD      HIS  81  -7.808 -15.904  34.144
  644    HE1  HIS  81           1HE      HIS  81  -6.946 -13.249  30.949
  645    HE2  HIS  81           2HE      HIS  81  -7.407 -13.455  33.417
  646    H    HIS  82           H        HIS  82  -4.876 -20.245  32.449
  647    HA   HIS  82           HA       HIS  82  -5.811 -22.389  30.782
  648   1HB   HIS  82          2HB       HIS  82  -3.514 -22.053  32.086
  649   2HB   HIS  82          1HB       HIS  82  -4.378 -22.930  33.344
  650    HD1  HIS  82           1HD      HIS  82  -3.600 -25.269  33.259
  651    HD2  HIS  82           2HD      HIS  82  -4.169 -23.697  29.455
  652    HE1  HIS  82           1HE      HIS  82  -3.137 -27.164  31.673
  653    HE2  HIS  82           2HE      HIS  82  -3.565 -26.212  29.379
  Start of MODEL   21
    1   1H    MET   1          1HT       MET   1  -7.523   8.107 -16.638
    2   2H    MET   1          2HT       MET   1  -8.005   6.466 -16.754
    3   3H    MET   1          3HT       MET   1  -6.351   6.894 -16.925
    4    HA   MET   1           HA       MET   1  -6.008   6.739 -14.815
    5   1HB   MET   1          2HB       MET   1  -7.331   8.165 -13.249
    6   2HB   MET   1          1HB       MET   1  -6.711   9.046 -14.634
    7   1HG   MET   1          2HG       MET   1  -9.291   8.040 -15.286
    8   2HG   MET   1          1HG       MET   1  -9.372   8.849 -13.718
    9   1HE   MET   1          1HE       MET   1  -9.195  11.787 -13.600
   10   2HE   MET   1          2HE       MET   1  -7.795  12.301 -14.541
   11   3HE   MET   1          3HE       MET   1  -7.672  10.907 -13.463
   12    H    GLN   2           H        GLN   2  -6.267   4.725 -14.146
   13    HA   GLN   2           HA       GLN   2  -8.573   3.918 -12.719
   14   1HB   GLN   2          2HB       GLN   2  -9.037   3.629 -15.347
   15   2HB   GLN   2          1HB       GLN   2  -8.186   2.117 -15.052
   16   1HG   GLN   2          2HG       GLN   2  -9.933   1.216 -14.022
   17   2HG   GLN   2          1HG       GLN   2 -10.239   2.673 -13.072
   18   1HE2  GLN   2          1HE2      GLN   2 -11.971   0.786 -14.635
   19   2HE2  GLN   2          2HE2      GLN   2 -12.914   1.807 -15.658
   20    H    ILE   3           H        ILE   3  -7.856   2.624 -11.184
   21    HA   ILE   3           HA       ILE   3  -5.500   0.949 -11.738
   22    HB   ILE   3           HB       ILE   3  -4.886   1.195  -9.341
   23   1HG1  ILE   3          2HG1      ILE   3  -7.014   3.343  -9.347
   24   2HG1  ILE   3          1HG1      ILE   3  -7.130   1.797  -8.514
   25   1HG2  ILE   3          1HG2      ILE   3  -4.166   3.635  -9.537
   26   2HG2  ILE   3          2HG2      ILE   3  -4.974   3.616 -11.110
   27   3HG2  ILE   3          3HG2      ILE   3  -3.632   2.518 -10.795
   28   1HD1  ILE   3          1HD1      ILE   3  -4.742   3.329  -7.824
   29   2HD1  ILE   3          2HD1      ILE   3  -5.908   2.504  -6.789
   30   3HD1  ILE   3          3HD1      ILE   3  -6.260   4.124  -7.396
   31    H    PHE   4           H        PHE   4  -5.394  -1.076 -10.638
   32    HA   PHE   4           HA       PHE   4  -7.972  -2.001  -9.570
   33   1HB   PHE   4          2HB       PHE   4  -6.567  -2.945 -11.854
   34   2HB   PHE   4          1HB       PHE   4  -6.474  -4.204 -10.624
   35    HD1  PHE   4           1HD      PHE   4  -8.165  -3.533 -13.401
   36    HD2  PHE   4           2HD      PHE   4  -8.996  -4.072  -9.270
   37    HE1  PHE   4           1HE      PHE   4 -10.463  -4.211 -13.954
   38    HE2  PHE   4           2HE      PHE   4 -11.297  -4.746  -9.816
   39    HZ   PHE   4           HZ       PHE   4 -12.031  -4.824 -12.159
   40    H    VAL   5           H        VAL   5  -7.906  -2.867  -7.595
   41    HA   VAL   5           HA       VAL   5  -5.356  -3.906  -6.602
   42    HB   VAL   5           HB       VAL   5  -5.728  -2.690  -4.445
   43   1HG1  VAL   5          1HG1      VAL   5  -4.087  -1.987  -6.180
   44   2HG1  VAL   5          2HG1      VAL   5  -4.675  -0.666  -5.171
   45   3HG1  VAL   5          3HG1      VAL   5  -5.302  -0.877  -6.806
   46   1HG2  VAL   5          1HG2      VAL   5  -8.176  -2.145  -5.388
   47   2HG2  VAL   5          2HG2      VAL   5  -7.352  -0.650  -5.814
   48   3HG2  VAL   5          3HG2      VAL   5  -7.388  -1.193  -4.134
   49    H    LYS   6           H        LYS   6  -5.523  -5.616  -5.321
   50    HA   LYS   6           HA       LYS   6  -8.187  -6.679  -4.820
   51   1HB   LYS   6          2HB       LYS   6  -5.891  -7.922  -5.571
   52   2HB   LYS   6          1HB       LYS   6  -5.839  -8.185  -3.835
   53   1HG   LYS   6          2HG       LYS   6  -8.360  -8.922  -4.271
   54   2HG   LYS   6          1HG       LYS   6  -7.694  -9.268  -5.863
   55   1HD   LYS   6          2HD       LYS   6  -6.367 -10.235  -3.349
   56   2HD   LYS   6          1HD       LYS   6  -7.649 -11.159  -4.137
   57   1HE   LYS   6          2HE       LYS   6  -5.093 -10.257  -5.463
   58   2HE   LYS   6          1HE       LYS   6  -5.374 -11.873  -4.811
   59   1HZ   LYS   6          1HZ       LYS   6  -5.834 -12.080  -7.060
   60   2HZ   LYS   6          2HZ       LYS   6  -6.633 -10.593  -7.162
   61   3HZ   LYS   6          3HZ       LYS   6  -7.370 -11.900  -6.382
   62    H    THR   7           H        THR   7  -9.172  -6.757  -2.932
   63    HA   THR   7           HA       THR   7  -7.897  -5.480  -0.657
   64    HB   THR   7           HB       THR   7 -10.176  -5.465   0.307
   65    HG1  THR   7           1HG      THR   7 -11.792  -6.001  -1.525
   66   1HG2  THR   7          1HG2      THR   7 -11.203  -3.886  -1.159
   67   2HG2  THR   7          2HG2      THR   7 -10.228  -4.445  -2.516
   68   3HG2  THR   7          3HG2      THR   7  -9.462  -3.601  -1.170
   69    H    LEU   8           H        LEU   8  -9.064  -6.501   1.505
   70    HA   LEU   8           HA       LEU   8  -7.733  -9.022   1.814
   71   1HB   LEU   8          2HB       LEU   8  -9.152  -7.104   3.574
   72   2HB   LEU   8          1HB       LEU   8  -9.080  -8.762   4.120
   73    HG   LEU   8           HG       LEU   8  -6.485  -8.396   3.518
   74   1HD1  LEU   8          1HD1      LEU   8  -7.450  -5.869   3.127
   75   2HD1  LEU   8          2HD1      LEU   8  -5.772  -6.283   3.499
   76   3HD1  LEU   8          3HD1      LEU   8  -6.870  -5.801   4.792
   77   1HD2  LEU   8          1HD2      LEU   8  -6.712  -9.142   5.630
   78   2HD2  LEU   8          2HD2      LEU   8  -8.121  -8.136   5.949
   79   3HD2  LEU   8          3HD2      LEU   8  -6.499  -7.442   6.051
   80    H    THR   9           H        THR   9 -10.874  -8.062   0.922
   81    HA   THR   9           HA       THR   9 -12.087 -10.569   1.755
   82    HB   THR   9           HB       THR   9 -14.173  -9.584   0.820
   83    HG1  THR   9           1HG      THR   9 -14.146  -7.558  -0.030
   84   1HG2  THR   9          1HG2      THR   9 -14.555  -7.924   2.456
   85   2HG2  THR   9          2HG2      THR   9 -12.838  -7.546   2.576
   86   3HG2  THR   9          3HG2      THR   9 -13.442  -9.090   3.168
   87    H    GLY  10           H        GLY  10 -10.457  -9.300  -0.957
   88   1HA   GLY  10          2HA       GLY  10  -9.839 -10.701  -2.786
   89   2HA   GLY  10          1HA       GLY  10 -11.334 -11.594  -2.566
   90    H    ALA  11           H        ALA  11 -12.459  -8.706  -2.203
   91    HA   ALA  11           HA       ALA  11 -13.390  -8.485  -4.924
   92   1HB   ALA  11          1HB       ALA  11 -14.908  -6.819  -4.076
   93   2HB   ALA  11          2HB       ALA  11 -14.049  -6.761  -2.540
   94   3HB   ALA  11          3HB       ALA  11 -14.913  -8.230  -3.018
   95    H    THR  12           H        THR  12 -12.063  -7.552  -6.354
   96    HA   THR  12           HA       THR  12 -10.145  -5.555  -5.717
   97    HB   THR  12           HB       THR  12  -9.829  -5.372  -8.145
   98    HG1  THR  12           1HG      THR  12 -12.329  -6.032  -8.285
   99   1HG2  THR  12          1HG2      THR  12  -8.597  -7.173  -7.466
  100   2HG2  THR  12          2HG2      THR  12  -9.659  -7.920  -8.660
  101   3HG2  THR  12          3HG2      THR  12 -10.012  -8.086  -6.939
  102    H    ILE  13           H        ILE  13 -10.228  -3.361  -5.875
  103    HA   ILE  13           HA       ILE  13 -12.851  -2.214  -6.605
  104    HB   ILE  13           HB       ILE  13 -12.235  -0.319  -5.064
  105   1HG1  ILE  13          2HG1      ILE  13 -10.380  -2.312  -3.779
  106   2HG1  ILE  13          1HG1      ILE  13  -9.796  -1.153  -4.975
  107   1HG2  ILE  13          1HG2      ILE  13 -12.902  -3.094  -4.162
  108   2HG2  ILE  13          2HG2      ILE  13 -13.948  -1.683  -4.292
  109   3HG2  ILE  13          3HG2      ILE  13 -12.758  -1.787  -2.986
  110   1HD1  ILE  13          1HD1      ILE  13 -10.584   0.682  -3.573
  111   2HD1  ILE  13          2HD1      ILE  13  -9.425  -0.343  -2.729
  112   3HD1  ILE  13          3HD1      ILE  13 -11.145  -0.477  -2.371
  113    H    THR  14           H        THR  14 -12.960  -0.366  -7.757
  114    HA   THR  14           HA       THR  14 -10.502   0.409  -9.163
  115    HB   THR  14           HB       THR  14 -12.316   1.609 -10.659
  116    HG1  THR  14           1HG      THR  14 -13.921   0.671  -8.978
  117   1HG2  THR  14          1HG2      THR  14 -11.947  -1.377 -10.727
  118   2HG2  THR  14          2HG2      THR  14 -10.929  -0.170 -11.515
  119   3HG2  THR  14          3HG2      THR  14 -12.600  -0.386 -12.032
  120    H    LEU  15           H        LEU  15  -9.582   2.316  -8.745
  121    HA   LEU  15           HA       LEU  15 -11.242   4.493  -7.694
  122   1HB   LEU  15          2HB       LEU  15  -8.635   3.612  -6.455
  123   2HB   LEU  15          1HB       LEU  15  -9.588   4.999  -5.964
  124    HG   LEU  15           HG       LEU  15 -11.461   3.164  -5.614
  125   1HD1  LEU  15          1HD1      LEU  15  -8.887   1.629  -5.290
  126   2HD1  LEU  15          2HD1      LEU  15 -10.180   1.279  -6.430
  127   3HD1  LEU  15          3HD1      LEU  15 -10.457   1.098  -4.705
  128   1HD2  LEU  15          1HD2      LEU  15  -9.814   2.879  -3.331
  129   2HD2  LEU  15          2HD2      LEU  15 -11.184   3.960  -3.560
  130   3HD2  LEU  15          3HD2      LEU  15  -9.557   4.500  -3.973
  131    H    GLU  16           H        GLU  16 -10.110   6.565  -7.631
  132    HA   GLU  16           HA       GLU  16  -8.250   6.855  -9.901
  133   1HB   GLU  16          2HB       GLU  16 -10.523   7.928 -10.138
  134   2HB   GLU  16          1HB       GLU  16 -10.096   8.978  -8.793
  135   1HG   GLU  16          2HG       GLU  16  -8.194   9.831 -10.092
  136   2HG   GLU  16          1HG       GLU  16  -8.697   8.832 -11.451
  137    H    VAL  17           H        VAL  17  -6.275   7.712  -9.486
  138    HA   VAL  17           HA       VAL  17  -5.735   8.482  -6.731
  139    HB   VAL  17           HB       VAL  17  -3.362   8.289  -7.353
  140   1HG1  VAL  17          1HG1      VAL  17  -3.540   6.168  -6.723
  141   2HG1  VAL  17          2HG1      VAL  17  -4.080   5.717  -8.342
  142   3HG1  VAL  17          3HG1      VAL  17  -5.261   6.211  -7.124
  143   1HG2  VAL  17          1HG2      VAL  17  -4.513   7.704 -10.055
  144   2HG2  VAL  17          2HG2      VAL  17  -2.921   7.125  -9.583
  145   3HG2  VAL  17          3HG2      VAL  17  -3.257   8.854  -9.615
  146    H    GLU  18           H        GLU  18  -4.726  10.356  -6.117
  147    HA   GLU  18           HA       GLU  18  -4.627  12.527  -8.099
  148   1HB   GLU  18          2HB       GLU  18  -5.652  12.501  -5.281
  149   2HB   GLU  18          1HB       GLU  18  -5.107  13.998  -6.029
  150   1HG   GLU  18          2HG       GLU  18  -6.765  13.797  -7.749
  151   2HG   GLU  18          1HG       GLU  18  -7.240  12.204  -7.160
  152    H    SER  19           H        SER  19  -3.006  14.105  -7.848
  153    HA   SER  19           HA       SER  19  -0.500  13.115  -6.992
  154   1HB   SER  19          2HB       SER  19  -1.488  15.832  -7.854
  155   2HB   SER  19          1HB       SER  19   0.156  15.622  -7.253
  156    HG   SER  19           HG       SER  19  -0.999  14.792  -9.630
  157    H    SER  20           H        SER  20  -2.882  15.246  -5.581
  158    HA   SER  20           HA       SER  20  -1.278  15.834  -3.243
  159   1HB   SER  20          2HB       SER  20  -3.498  16.832  -2.420
  160   2HB   SER  20          1HB       SER  20  -2.755  17.576  -3.842
  161    HG   SER  20           HG       SER  20  -4.601  17.195  -4.767
  162    H    ASP  21           H        ASP  21  -2.321  13.026  -4.079
  163    HA   ASP  21           HA       ASP  21  -3.870  12.253  -1.761
  164   1HB   ASP  21          2HB       ASP  21  -4.021  11.318  -4.205
  165   2HB   ASP  21          1HB       ASP  21  -2.686  10.295  -3.692
  166    H    THR  22           H        THR  22  -2.846  12.026   0.125
  167    HA   THR  22           HA       THR  22  -0.174  10.787   0.102
  168    HB   THR  22           HB       THR  22   0.286  11.970   2.181
  169    HG1  THR  22           1HG      THR  22  -2.376  12.284   2.217
  170   1HG2  THR  22          1HG2      THR  22  -0.867  13.974   0.272
  171   2HG2  THR  22          2HG2      THR  22   0.682  13.174   0.023
  172   3HG2  THR  22          3HG2      THR  22   0.439  14.219   1.429
  173    H    ILE  23           H        ILE  23   0.337   9.577   2.148
  174    HA   ILE  23           HA       ILE  23  -1.517   7.504   2.533
  175    HB   ILE  23           HB       ILE  23   0.749   8.211   4.394
  176   1HG1  ILE  23          2HG1      ILE  23   1.602   8.133   2.115
  177   2HG1  ILE  23          1HG1      ILE  23   2.135   6.712   3.010
  178   1HG2  ILE  23          1HG2      ILE  23   0.067   5.408   3.796
  179   2HG2  ILE  23          2HG2      ILE  23  -1.166   6.314   4.681
  180   3HG2  ILE  23          3HG2      ILE  23   0.463   6.176   5.334
  181   1HD1  ILE  23          1HD1      ILE  23   1.523   5.931   0.893
  182   2HD1  ILE  23          2HD1      ILE  23   0.044   6.899   0.871
  183   3HD1  ILE  23          3HD1      ILE  23   0.168   5.502   1.948
  184    H    ASP  24           H        ASP  24  -1.136  10.553   4.096
  185    HA   ASP  24           HA       ASP  24  -2.651   9.808   6.447
  186   1HB   ASP  24          2HB       ASP  24  -1.622  12.483   5.462
  187   2HB   ASP  24          1HB       ASP  24  -2.470  12.241   6.995
  188    H    ASN  25           H        ASN  25  -3.098  11.882   3.619
  189    HA   ASN  25           HA       ASN  25  -5.683  12.786   4.149
  190   1HB   ASN  25          2HB       ASN  25  -4.011  12.502   1.712
  191   2HB   ASN  25          1HB       ASN  25  -5.742  12.718   1.465
  192   1HD2  ASN  25          1HD2      ASN  25  -3.491  14.490   0.879
  193   2HD2  ASN  25          2HD2      ASN  25  -3.822  15.974   1.706
  194    H    VAL  26           H        VAL  26  -4.643   9.815   2.522
  195    HA   VAL  26           HA       VAL  26  -7.162   8.925   1.681
  196    HB   VAL  26           HB       VAL  26  -6.158   6.616   1.841
  197   1HG1  VAL  26          1HG1      VAL  26  -4.803   8.841   0.357
  198   2HG1  VAL  26          2HG1      VAL  26  -5.996   7.685  -0.241
  199   3HG1  VAL  26          3HG1      VAL  26  -4.353   7.155   0.123
  200   1HG2  VAL  26          1HG2      VAL  26  -3.467   7.156   2.089
  201   2HG2  VAL  26          2HG2      VAL  26  -4.478   6.385   3.310
  202   3HG2  VAL  26          3HG2      VAL  26  -4.191   8.123   3.371
  203    H    LYS  27           H        LYS  27  -5.527   8.667   4.772
  204    HA   LYS  27           HA       LYS  27  -7.275   6.826   5.986
  205   1HB   LYS  27          2HB       LYS  27  -5.080   8.515   6.793
  206   2HB   LYS  27          1HB       LYS  27  -6.339   8.517   8.022
  207   1HG   LYS  27          2HG       LYS  27  -5.771   6.481   8.704
  208   2HG   LYS  27          1HG       LYS  27  -5.838   5.846   7.062
  209   1HD   LYS  27          2HD       LYS  27  -3.615   5.784   6.951
  210   2HD   LYS  27          1HD       LYS  27  -3.523   7.504   7.344
  211   1HE   LYS  27          2HE       LYS  27  -3.031   7.119   9.513
  212   2HE   LYS  27          1HE       LYS  27  -4.113   5.733   9.613
  213   1HZ   LYS  27          1HZ       LYS  27  -1.367   5.777   8.498
  214   2HZ   LYS  27          2HZ       LYS  27  -2.413   4.457   8.355
  215   3HZ   LYS  27          3HZ       LYS  27  -1.898   4.962   9.884
  216    H    SER  28           H        SER  28  -7.291  10.376   5.983
  217    HA   SER  28           HA       SER  28  -9.430  10.784   7.723
  218   1HB   SER  28          2HB       SER  28  -7.811  12.386   6.099
  219   2HB   SER  28          1HB       SER  28  -9.459  12.715   5.559
  220    HG   SER  28           HG       SER  28  -8.667  14.020   7.353
  221    H    LYS  29           H        LYS  29  -9.448  10.245   4.232
  222    HA   LYS  29           HA       LYS  29 -12.220  10.637   3.873
  223   1HB   LYS  29          2HB       LYS  29 -10.233  10.455   2.145
  224   2HB   LYS  29          1HB       LYS  29 -10.728   8.768   2.093
  225   1HG   LYS  29          2HG       LYS  29 -13.090  10.221   1.897
  226   2HG   LYS  29          1HG       LYS  29 -11.944  11.068   0.864
  227   1HD   LYS  29          2HD       LYS  29 -12.282   8.080   0.752
  228   2HD   LYS  29          1HD       LYS  29 -13.314   9.167  -0.182
  229   1HE   LYS  29          2HE       LYS  29 -10.433   9.686  -0.395
  230   2HE   LYS  29          1HE       LYS  29 -10.962   8.142  -1.060
  231   1HZ   LYS  29          1HZ       LYS  29 -12.692  10.278  -1.825
  232   2HZ   LYS  29          2HZ       LYS  29 -11.862   9.170  -2.801
  233   3HZ   LYS  29          3HZ       LYS  29 -11.094  10.588  -2.286
  234    H    ILE  30           H        ILE  30 -10.851   8.343   5.729
  235    HA   ILE  30           HA       ILE  30 -12.634   6.165   4.952
  236    HB   ILE  30           HB       ILE  30 -10.774   6.248   7.328
  237   1HG1  ILE  30          2HG1      ILE  30 -10.252   5.251   4.517
  238   2HG1  ILE  30          1HG1      ILE  30  -9.476   6.627   5.289
  239   1HG2  ILE  30          1HG2      ILE  30 -11.051   3.658   6.348
  240   2HG2  ILE  30          2HG2      ILE  30 -12.669   4.346   6.259
  241   3HG2  ILE  30          3HG2      ILE  30 -11.799   4.330   7.798
  242   1HD1  ILE  30          1HD1      ILE  30  -8.261   4.349   5.144
  243   2HD1  ILE  30          2HD1      ILE  30  -9.264   3.926   6.527
  244   3HD1  ILE  30          3HD1      ILE  30  -8.156   5.296   6.627
  245    H    GLN  31           H        GLN  31 -13.501   8.836   6.019
  246    HA   GLN  31           HA       GLN  31 -14.826   7.980   8.501
  247   1HB   GLN  31          2HB       GLN  31 -13.559  10.178   8.402
  248   2HB   GLN  31          1HB       GLN  31 -14.817  10.761   7.328
  249   1HG   GLN  31          2HG       GLN  31 -15.959  11.390   9.108
  250   2HG   GLN  31          1HG       GLN  31 -16.156   9.690   9.533
  251   1HE2  GLN  31          1HE2      GLN  31 -14.622   8.743  10.971
  252   2HE2  GLN  31          2HE2      GLN  31 -13.743   9.727  12.093
  253    H    ALA  32           H        ALA  32 -15.705   6.841   6.090
  254    HA   ALA  32           HA       ALA  32 -18.390   8.034   5.870
  255   1HB   ALA  32          1HB       ALA  32 -17.029   8.345   3.822
  256   2HB   ALA  32          2HB       ALA  32 -18.497   7.406   3.559
  257   3HB   ALA  32          3HB       ALA  32 -16.938   6.593   3.663
  258    H    ALA  33           H        ALA  33 -16.516   5.269   6.546
  259    HA   ALA  33           HA       ALA  33 -18.928   3.717   7.010
  260   1HB   ALA  33          1HB       ALA  33 -16.689   2.410   5.507
  261   2HB   ALA  33          2HB       ALA  33 -17.982   3.259   4.651
  262   3HB   ALA  33          3HB       ALA  33 -18.364   1.884   5.690
  263    HA   PRO  34           HA       PRO  34 -15.976   3.118  10.464
  264   1HB   PRO  34          2HB       PRO  34 -17.864   2.664  12.355
  265   2HB   PRO  34          1HB       PRO  34 -17.402   4.288  11.841
  266   1HG   PRO  34          2HG       PRO  34 -19.777   2.655  11.066
  267   2HG   PRO  34          1HG       PRO  34 -19.671   4.390  11.416
  268   1HD   PRO  34          2HD       PRO  34 -19.754   3.356   8.884
  269   2HD   PRO  34          1HD       PRO  34 -18.975   4.898   9.292
  270    H    GLY  35           H        GLY  35 -15.537   1.263  11.841
  271   1HA   GLY  35          2HA       GLY  35 -16.432  -1.029  12.445
  272   2HA   GLY  35          1HA       GLY  35 -16.671  -1.227  10.714
  273    H    ILE  36           H        ILE  36 -14.316  -0.019   9.805
  274    HA   ILE  36           HA       ILE  36 -12.304  -1.974  10.719
  275    HB   ILE  36           HB       ILE  36 -11.283  -1.193   8.348
  276   1HG1  ILE  36          2HG1      ILE  36 -13.368   0.213   7.940
  277   2HG1  ILE  36          1HG1      ILE  36 -12.944  -0.914   6.661
  278   1HG2  ILE  36          1HG2      ILE  36 -13.283  -3.331   8.104
  279   2HG2  ILE  36          2HG2      ILE  36 -12.168  -3.477   9.459
  280   3HG2  ILE  36          3HG2      ILE  36 -11.543  -3.355   7.808
  281   1HD1  ILE  36          1HD1      ILE  36 -15.208  -1.042   8.611
  282   2HD1  ILE  36          2HD1      ILE  36 -14.633  -2.493   7.793
  283   3HD1  ILE  36          3HD1      ILE  36 -15.241  -1.133   6.854
  284    HA   PRO  37           HA       PRO  37  -9.773   1.428  12.054
  285   1HB   PRO  37          2HB       PRO  37  -7.418  -0.259  11.691
  286   2HB   PRO  37          1HB       PRO  37  -8.131   0.346  13.186
  287   1HG   PRO  37          2HG       PRO  37  -8.206  -2.269  12.486
  288   2HG   PRO  37          1HG       PRO  37  -9.479  -1.495  13.451
  289   1HD   PRO  37          2HD       PRO  37  -9.437  -2.160  10.526
  290   2HD   PRO  37          1HD       PRO  37 -10.765  -2.317  11.697
  291    HA   PRO  38           HA       PRO  38  -8.520   2.856   7.954
  292   1HB   PRO  38          2HB       PRO  38  -8.012   5.431   8.682
  293   2HB   PRO  38          1HB       PRO  38  -9.636   4.810   8.390
  294   1HG   PRO  38          2HG       PRO  38  -8.214   5.212  10.990
  295   2HG   PRO  38          1HG       PRO  38  -9.890   5.595  10.562
  296   1HD   PRO  38          2HD       PRO  38  -9.213   3.380  11.954
  297   2HD   PRO  38          1HD       PRO  38 -10.587   3.413  10.826
  298    H    ASP  39           H        ASP  39  -6.733   3.355  10.941
  299    HA   ASP  39           HA       ASP  39  -4.252   3.996   9.638
  300   1HB   ASP  39          2HB       ASP  39  -4.974   3.389  12.501
  301   2HB   ASP  39          1HB       ASP  39  -3.324   3.705  11.981
  302    H    GLN  40           H        GLN  40  -5.944   1.184   9.970
  303    HA   GLN  40           HA       GLN  40  -3.555  -0.483  10.250
  304   1HB   GLN  40          2HB       GLN  40  -6.200  -0.797  11.150
  305   2HB   GLN  40          1HB       GLN  40  -6.003  -1.985   9.883
  306   1HG   GLN  40          2HG       GLN  40  -5.474  -2.904  12.064
  307   2HG   GLN  40          1HG       GLN  40  -4.064  -2.901  11.011
  308   1HE2  GLN  40          1HE2      GLN  40  -5.388  -1.899  13.949
  309   2HE2  GLN  40          2HE2      GLN  40  -4.066  -0.934  14.503
  310    H    GLN  41           H        GLN  41  -4.757   1.133   7.829
  311    HA   GLN  41           HA       GLN  41  -4.582  -1.105   5.905
  312   1HB   GLN  41          2HB       GLN  41  -6.713   0.356   6.009
  313   2HB   GLN  41          1HB       GLN  41  -5.724   1.602   5.260
  314   1HG   GLN  41          2HG       GLN  41  -5.227  -0.015   3.425
  315   2HG   GLN  41          1HG       GLN  41  -6.427  -1.094   4.137
  316   1HE2  GLN  41          1HE2      GLN  41  -5.946   1.140   1.819
  317   2HE2  GLN  41          2HE2      GLN  41  -7.569   1.710   1.608
  318    H    GLU  42           H        GLU  42  -2.939  -1.149   4.503
  319    HA   GLU  42           HA       GLU  42  -1.545   1.269   3.754
  320   1HB   GLU  42          2HB       GLU  42  -0.435  -0.687   5.672
  321   2HB   GLU  42          1HB       GLU  42   0.666  -0.125   4.424
  322   1HG   GLU  42          2HG       GLU  42   0.750   1.984   5.258
  323   2HG   GLU  42          1HG       GLU  42  -0.882   1.916   5.903
  324    H    LEU  43           H        LEU  43   0.012   0.944   2.012
  325    HA   LEU  43           HA       LEU  43  -0.673  -1.405   0.387
  326   1HB   LEU  43          2HB       LEU  43   0.855   0.027  -1.273
  327   2HB   LEU  43          1HB       LEU  43  -0.862   0.299  -1.099
  328    HG   LEU  43           HG       LEU  43   0.855   1.867   0.713
  329   1HD1  LEU  43          1HD1      LEU  43   2.229   2.669  -0.823
  330   2HD1  LEU  43          2HD1      LEU  43   0.834   3.368  -1.629
  331   3HD1  LEU  43          3HD1      LEU  43   1.417   1.775  -2.106
  332   1HD2  LEU  43          1HD2      LEU  43  -1.760   1.913   0.046
  333   2HD2  LEU  43          2HD2      LEU  43  -1.126   3.125  -1.068
  334   3HD2  LEU  43          3HD2      LEU  43  -0.877   3.305   0.672
  335    H    ILE  44           H        ILE  44   0.908  -2.849  -0.314
  336    HA   ILE  44           HA       ILE  44   3.662  -2.358   0.483
  337    HB   ILE  44           HB       ILE  44   2.302  -4.864   1.459
  338   1HG1  ILE  44          2HG1      ILE  44   3.198  -2.845   3.422
  339   2HG1  ILE  44          1HG1      ILE  44   1.759  -2.413   2.498
  340   1HG2  ILE  44          1HG2      ILE  44   4.331  -5.124   2.787
  341   2HG2  ILE  44          2HG2      ILE  44   4.990  -3.643   2.090
  342   3HG2  ILE  44          3HG2      ILE  44   4.699  -5.048   1.069
  343   1HD1  ILE  44          1HD1      ILE  44   1.921  -5.098   3.764
  344   2HD1  ILE  44          2HD1      ILE  44   0.511  -4.102   3.401
  345   3HD1  ILE  44          3HD1      ILE  44   1.558  -3.688   4.758
  346    H    PHE  45           H        PHE  45   5.159  -3.357  -0.804
  347    HA   PHE  45           HA       PHE  45   4.156  -4.787  -3.107
  348   1HB   PHE  45          2HB       PHE  45   6.545  -3.303  -2.435
  349   2HB   PHE  45          1HB       PHE  45   6.942  -4.843  -3.178
  350    HD1  PHE  45           1HD      PHE  45   6.598  -5.224  -5.480
  351    HD2  PHE  45           2HD      PHE  45   5.133  -1.675  -3.643
  352    HE1  PHE  45           1HE      PHE  45   6.137  -4.270  -7.704
  353    HE2  PHE  45           2HE      PHE  45   4.668  -0.722  -5.866
  354    HZ   PHE  45           HZ       PHE  45   5.171  -2.016  -7.894
  355    H    ALA  46           H        ALA  46   4.079  -5.955  -0.345
  356    HA   ALA  46           HA       ALA  46   4.270  -8.035   0.574
  357   1HB   ALA  46          1HB       ALA  46   5.473  -8.917  -2.049
  358   2HB   ALA  46          2HB       ALA  46   3.734  -8.831  -1.738
  359   3HB   ALA  46          3HB       ALA  46   4.747  -9.937  -0.805
  360    H    GLY  47           H        GLY  47   7.092  -7.642  -1.578
  361   1HA   GLY  47          2HA       GLY  47   8.813  -8.218   0.735
  362   2HA   GLY  47          1HA       GLY  47   9.264  -8.451  -0.957
  363    H    LYS  48           H        LYS  48   7.686  -5.656  -1.156
  364    HA   LYS  48           HA       LYS  48  10.068  -4.055  -0.427
  365   1HB   LYS  48          2HB       LYS  48   9.225  -4.431  -2.960
  366   2HB   LYS  48          1HB       LYS  48   8.227  -3.054  -2.522
  367   1HG   LYS  48          2HG       LYS  48  10.674  -2.250  -1.634
  368   2HG   LYS  48          1HG       LYS  48  11.095  -3.190  -3.067
  369   1HD   LYS  48          2HD       LYS  48   8.823  -1.324  -3.331
  370   2HD   LYS  48          1HD       LYS  48  10.416  -0.592  -3.149
  371   1HE   LYS  48          2HE       LYS  48   9.737  -0.940  -5.503
  372   2HE   LYS  48          1HE       LYS  48  11.230  -1.779  -5.075
  373   1HZ   LYS  48          1HZ       LYS  48   9.121  -3.518  -4.580
  374   2HZ   LYS  48          2HZ       LYS  48  10.310  -3.638  -5.771
  375   3HZ   LYS  48          3HZ       LYS  48   8.849  -2.856  -6.110
  376    H    GLN  49           H        GLN  49   9.565  -2.987   1.397
  377    HA   GLN  49           HA       GLN  49   6.851  -2.184   1.955
  378   1HB   GLN  49          2HB       GLN  49   9.205  -2.725   3.458
  379   2HB   GLN  49          1HB       GLN  49   8.695  -1.075   3.825
  380   1HG   GLN  49          2HG       GLN  49   6.516  -1.851   4.483
  381   2HG   GLN  49          1HG       GLN  49   6.914  -3.489   3.985
  382   1HE2  GLN  49          1HE2      GLN  49   7.825  -0.925   6.205
  383   2HE2  GLN  49          2HE2      GLN  49   8.387  -1.955   7.473
  384    H    LEU  50           H        LEU  50   5.971  -0.242   1.601
  385    HA   LEU  50           HA       LEU  50   7.628   1.846   0.464
  386   1HB   LEU  50          2HB       LEU  50   4.653   1.911   0.935
  387   2HB   LEU  50          1HB       LEU  50   5.580   2.919  -0.161
  388    HG   LEU  50           HG       LEU  50   4.989  -0.021  -0.458
  389   1HD1  LEU  50          1HD1      LEU  50   3.317   1.865  -1.064
  390   2HD1  LEU  50          2HD1      LEU  50   3.616   0.569  -2.221
  391   3HD1  LEU  50          3HD1      LEU  50   4.397   2.137  -2.429
  392   1HD2  LEU  50          1HD2      LEU  50   7.107   1.637  -1.600
  393   2HD2  LEU  50          2HD2      LEU  50   6.155   0.745  -2.784
  394   3HD2  LEU  50          3HD2      LEU  50   6.976  -0.118  -1.479
  395    H    GLU  51           H        GLU  51   7.328   4.093   1.123
  396    HA   GLU  51           HA       GLU  51   7.488   4.327   4.019
  397   1HB   GLU  51          2HB       GLU  51   8.770   5.576   1.852
  398   2HB   GLU  51          1HB       GLU  51   7.778   6.824   2.607
  399   1HG   GLU  51          2HG       GLU  51   8.987   6.842   4.511
  400   2HG   GLU  51          1HG       GLU  51   9.399   5.130   4.396
  401    H    ASP  52           H        ASP  52   5.936   5.174   5.279
  402    HA   ASP  52           HA       ASP  52   3.374   5.745   4.208
  403   1HB   ASP  52          2HB       ASP  52   3.851   4.773   6.480
  404   2HB   ASP  52          1HB       ASP  52   4.342   6.388   6.994
  405    H    GLY  53           H        GLY  53   6.036   7.764   5.309
  406   1HA   GLY  53          2HA       GLY  53   4.524  10.215   5.199
  407   2HA   GLY  53          1HA       GLY  53   6.258  10.063   5.443
  408    H    ARG  54           H        ARG  54   5.295   8.300   2.737
  409    HA   ARG  54           HA       ARG  54   6.429  10.340   0.998
  410   1HB   ARG  54          2HB       ARG  54   5.964   7.388   0.757
  411   2HB   ARG  54          1HB       ARG  54   6.195   8.350  -0.692
  412   1HG   ARG  54          2HG       ARG  54   8.270   9.168   0.902
  413   2HG   ARG  54          1HG       ARG  54   8.129   7.458   1.286
  414   1HD   ARG  54          2HD       ARG  54   8.491   6.806  -0.933
  415   2HD   ARG  54          1HD       ARG  54   8.174   8.426  -1.550
  416    HE   ARG  54           HE       ARG  54  10.377   8.570   0.144
  417   1HH1  ARG  54          1HH1      ARG  54   9.522   7.116  -2.908
  418   2HH1  ARG  54          2HH1      ARG  54  11.142   7.164  -3.522
  419   1HH2  ARG  54          1HH2      ARG  54  12.490   8.617  -0.638
  420   2HH2  ARG  54          2HH2      ARG  54  12.836   8.013  -2.226
  421    H    THR  55           H        THR  55   5.424  11.066  -0.916
  422    HA   THR  55           HA       THR  55   2.519  11.145  -0.730
  423    HB   THR  55           HB       THR  55   4.218  12.634  -2.716
  424    HG1  THR  55           1HG      THR  55   4.299  12.879  -0.059
  425   1HG2  THR  55          1HG2      THR  55   2.039  14.102  -1.591
  426   2HG2  THR  55          2HG2      THR  55   1.470  12.570  -2.239
  427   3HG2  THR  55          3HG2      THR  55   2.365  13.685  -3.274
  428    H    LEU  56           H        LEU  56   1.379  11.289  -3.004
  429    HA   LEU  56           HA       LEU  56   1.611   8.731  -4.167
  430   1HB   LEU  56          2HB       LEU  56  -0.225  10.810  -4.258
  431   2HB   LEU  56          1HB       LEU  56   0.348  10.676  -5.904
  432    HG   LEU  56           HG       LEU  56  -0.141   8.105  -5.478
  433   1HD1  LEU  56          1HD1      LEU  56  -0.854   8.122  -3.247
  434   2HD1  LEU  56          2HD1      LEU  56  -2.333   8.014  -4.199
  435   3HD1  LEU  56          3HD1      LEU  56  -1.853   9.552  -3.492
  436   1HD2  LEU  56          1HD2      LEU  56  -1.333  10.173  -6.861
  437   2HD2  LEU  56          2HD2      LEU  56  -2.659   9.451  -5.954
  438   3HD2  LEU  56          3HD2      LEU  56  -1.682   8.458  -7.035
  439    H    SER  57           H        SER  57   2.393  11.915  -5.529
  440    HA   SER  57           HA       SER  57   3.504  10.986  -7.915
  441   1HB   SER  57          2HB       SER  57   3.599  13.509  -6.356
  442   2HB   SER  57          1HB       SER  57   4.889  13.275  -7.543
  443    HG   SER  57           HG       SER  57   3.355  14.106  -8.779
  444    H    ASP  58           H        ASP  58   4.832  11.194  -4.724
  445    HA   ASP  58           HA       ASP  58   7.588  11.029  -5.396
  446   1HB   ASP  58          2HB       ASP  58   5.980  11.022  -3.001
  447   2HB   ASP  58          1HB       ASP  58   7.223   9.780  -2.897
  448    H    TYR  59           H        TYR  59   5.047   8.680  -5.253
  449    HA   TYR  59           HA       TYR  59   6.995   6.590  -5.958
  450   1HB   TYR  59          2HB       TYR  59   5.661   6.655  -3.514
  451   2HB   TYR  59          1HB       TYR  59   4.725   5.517  -4.482
  452    HD1  TYR  59           1HD      TYR  59   7.457   5.865  -2.321
  453    HD2  TYR  59           2HD      TYR  59   6.203   3.748  -5.793
  454    HE1  TYR  59           1HE      TYR  59   9.132   4.109  -1.848
  455    HE2  TYR  59           2HE      TYR  59   7.858   1.990  -5.327
  456    HH   TYR  59           HH       TYR  59  10.099   1.853  -4.032
  457    H    ASN  60           H        ASN  60   4.992   8.307  -7.405
  458    HA   ASN  60           HA       ASN  60   3.404   6.168  -8.646
  459   1HB   ASN  60          2HB       ASN  60   2.543   8.668  -7.599
  460   2HB   ASN  60          1HB       ASN  60   2.386   8.751  -9.347
  461   1HD2  ASN  60          1HD2      ASN  60   0.703   8.167  -6.730
  462   2HD2  ASN  60          2HD2      ASN  60  -0.429   6.996  -7.302
  463    H    ILE  61           H        ILE  61   4.393   5.564 -10.404
  464    HA   ILE  61           HA       ILE  61   5.859   7.452 -12.071
  465    HB   ILE  61           HB       ILE  61   6.697   5.474 -13.233
  466   1HG1  ILE  61          2HG1      ILE  61   5.721   3.481 -11.354
  467   2HG1  ILE  61          1HG1      ILE  61   4.391   4.241 -12.233
  468   1HG2  ILE  61          1HG2      ILE  61   8.287   5.326 -11.700
  469   2HG2  ILE  61          2HG2      ILE  61   7.216   4.463 -10.598
  470   3HG2  ILE  61          3HG2      ILE  61   7.238   6.228 -10.606
  471   1HD1  ILE  61          1HD1      ILE  61   4.837   3.035 -14.026
  472   2HD1  ILE  61          2HD1      ILE  61   6.071   2.179 -13.096
  473   3HD1  ILE  61          3HD1      ILE  61   6.507   3.597 -14.047
  474    H    GLN  62           H        GLN  62   5.231   5.317 -14.265
  475    HA   GLN  62           HA       GLN  62   3.121   6.861 -15.478
  476   1HB   GLN  62          2HB       GLN  62   4.874   4.610 -16.419
  477   2HB   GLN  62          1HB       GLN  62   3.495   5.134 -17.367
  478   1HG   GLN  62          2HG       GLN  62   4.606   7.495 -17.056
  479   2HG   GLN  62          1HG       GLN  62   6.055   6.528 -16.804
  480   1HE2  GLN  62          1HE2      GLN  62   5.904   8.241 -18.911
  481   2HE2  GLN  62          2HE2      GLN  62   5.811   7.357 -20.389
  482    H    LYS  63           H        LYS  63   1.070   6.334 -15.715
  483    HA   LYS  63           HA       LYS  63  -0.357   4.695 -14.121
  484   1HB   LYS  63          2HB       LYS  63  -2.177   4.752 -15.768
  485   2HB   LYS  63          1HB       LYS  63  -1.404   6.324 -15.595
  486   1HG   LYS  63          2HG       LYS  63  -0.325   4.605 -17.732
  487   2HG   LYS  63          1HG       LYS  63  -1.978   5.166 -17.960
  488   1HD   LYS  63          2HD       LYS  63  -0.935   7.482 -17.261
  489   2HD   LYS  63          1HD       LYS  63   0.561   6.719 -17.822
  490   1HE   LYS  63          2HE       LYS  63  -0.004   7.120 -19.924
  491   2HE   LYS  63          1HE       LYS  63  -1.477   6.175 -19.721
  492   1HZ   LYS  63          1HZ       LYS  63  -2.692   8.073 -19.141
  493   2HZ   LYS  63          2HZ       LYS  63  -1.732   8.582 -20.435
  494   3HZ   LYS  63          3HZ       LYS  63  -1.305   8.999 -18.853
  495    H    GLU  64           H        GLU  64  -1.692   2.754 -14.642
  496    HA   GLU  64           HA       GLU  64  -1.965   0.570 -15.306
  497   1HB   GLU  64          2HB       GLU  64  -0.604   1.619 -17.503
  498   2HB   GLU  64          1HB       GLU  64   0.392   0.253 -17.007
  499   1HG   GLU  64          2HG       GLU  64  -1.320  -1.287 -17.367
  500   2HG   GLU  64          1HG       GLU  64  -2.566  -0.039 -17.376
  501    H    SER  65           H        SER  65  -1.392   0.142 -13.149
  502    HA   SER  65           HA       SER  65   0.795  -1.650 -12.847
  503   1HB   SER  65          2HB       SER  65   1.563   0.951 -12.497
  504   2HB   SER  65          1HB       SER  65   1.066   0.522 -10.859
  505    HG   SER  65           HG       SER  65   3.274  -0.237 -12.237
  506    H    THR  66           H        THR  66   0.207  -3.127 -11.405
  507    HA   THR  66           HA       THR  66  -2.270  -2.892  -9.996
  508    HB   THR  66           HB       THR  66  -0.201  -5.035  -9.530
  509    HG1  THR  66           1HG      THR  66  -1.958  -4.716 -11.722
  510   1HG2  THR  66          1HG2      THR  66  -2.962  -4.681  -8.811
  511   2HG2  THR  66          2HG2      THR  66  -1.827  -5.934  -8.316
  512   3HG2  THR  66          3HG2      THR  66  -2.748  -6.116  -9.811
  513    H    LEU  67           H        LEU  67  -2.654  -2.697  -7.794
  514    HA   LEU  67           HA       LEU  67  -0.309  -1.996  -6.155
  515   1HB   LEU  67          2HB       LEU  67  -2.345  -0.283  -6.879
  516   2HB   LEU  67          1HB       LEU  67  -2.871  -0.846  -5.303
  517    HG   LEU  67           HG       LEU  67  -0.473  -0.209  -4.532
  518   1HD1  LEU  67          1HD1      LEU  67   0.820   1.090  -5.852
  519   2HD1  LEU  67          2HD1      LEU  67  -0.557   1.872  -6.625
  520   3HD1  LEU  67          3HD1      LEU  67  -0.057   0.257  -7.141
  521   1HD2  LEU  67          1HD2      LEU  67  -1.284   2.250  -4.404
  522   2HD2  LEU  67          2HD2      LEU  67  -2.203   0.993  -3.578
  523   3HD2  LEU  67          3HD2      LEU  67  -2.763   1.622  -5.130
  524    H    HIS  68           H        HIS  68  -0.116  -3.041  -4.213
  525    HA   HIS  68           HA       HIS  68  -2.394  -4.742  -3.438
  526   1HB   HIS  68          2HB       HIS  68  -0.228  -5.829  -4.369
  527   2HB   HIS  68          1HB       HIS  68   0.468  -5.426  -2.807
  528    HD1  HIS  68           1HD      HIS  68  -1.047  -6.432  -0.704
  529    HD2  HIS  68           2HD      HIS  68  -1.405  -8.277  -4.419
  530    HE1  HIS  68           1HE      HIS  68  -2.021  -8.702  -0.244
  531    HE2  HIS  68           2HE      HIS  68  -2.310  -9.768  -2.508
  532    H    LEU  69           H        LEU  69  -3.179  -4.468  -1.436
  533    HA   LEU  69           HA       LEU  69  -1.489  -3.035   0.510
  534   1HB   LEU  69          2HB       LEU  69  -4.507  -2.993   0.528
  535   2HB   LEU  69          1HB       LEU  69  -3.408  -1.952   1.409
  536    HG   LEU  69           HG       LEU  69  -2.710  -1.372  -1.154
  537   1HD1  LEU  69          1HD1      LEU  69  -4.563  -1.288  -2.586
  538   2HD1  LEU  69          2HD1      LEU  69  -5.708  -1.577  -1.276
  539   3HD1  LEU  69          3HD1      LEU  69  -4.664  -2.882  -1.841
  540   1HD2  LEU  69          1HD2      LEU  69  -3.765   0.715  -0.798
  541   2HD2  LEU  69          2HD2      LEU  69  -3.300   0.124   0.798
  542   3HD2  LEU  69          3HD2      LEU  69  -4.979  -0.002   0.264
  543    H    VAL  70           H        VAL  70  -0.905  -4.283   2.170
  544    HA   VAL  70           HA       VAL  70  -2.670  -6.532   2.876
  545    HB   VAL  70           HB       VAL  70   0.308  -6.400   3.359
  546   1HG1  VAL  70          1HG1      VAL  70  -1.833  -8.287   4.047
  547   2HG1  VAL  70          2HG1      VAL  70  -0.256  -8.037   4.790
  548   3HG1  VAL  70          3HG1      VAL  70  -0.398  -9.030   3.340
  549   1HG2  VAL  70          1HG2      VAL  70   0.418  -6.640   1.113
  550   2HG2  VAL  70          2HG2      VAL  70  -1.263  -7.162   0.982
  551   3HG2  VAL  70          3HG2      VAL  70  -0.017  -8.314   1.460
  552    H    LEU  71           H        LEU  71  -2.999  -7.062   5.048
  553    HA   LEU  71           HA       LEU  71  -2.339  -4.905   6.943
  554   1HB   LEU  71          2HB       LEU  71  -4.771  -6.604   6.582
  555   2HB   LEU  71          1HB       LEU  71  -4.348  -6.096   8.206
  556    HG   LEU  71           HG       LEU  71  -4.409  -3.730   7.458
  557   1HD1  LEU  71          1HD1      LEU  71  -4.481  -4.953   4.892
  558   2HD1  LEU  71          2HD1      LEU  71  -4.392  -3.239   5.301
  559   3HD1  LEU  71          3HD1      LEU  71  -5.963  -4.022   5.117
  560   1HD2  LEU  71          1HD2      LEU  71  -7.057  -4.708   6.633
  561   2HD2  LEU  71          2HD2      LEU  71  -6.615  -3.610   7.940
  562   3HD2  LEU  71          3HD2      LEU  71  -6.475  -5.352   8.163
  563    H    ARG  72           H        ARG  72  -0.411  -5.742   7.706
  564    HA   ARG  72           HA       ARG  72  -0.032  -8.450   8.412
  565   1HB   ARG  72          2HB       ARG  72   1.628  -6.349   8.056
  566   2HB   ARG  72          1HB       ARG  72   1.587  -6.413   9.813
  567   1HG   ARG  72          2HG       ARG  72   2.879  -8.217   9.881
  568   2HG   ARG  72          1HG       ARG  72   1.949  -9.029   8.609
  569   1HD   ARG  72          2HD       ARG  72   3.131  -7.586   6.953
  570   2HD   ARG  72          1HD       ARG  72   4.154  -7.010   8.263
  571    HE   ARG  72           HE       ARG  72   4.897  -9.360   8.516
  572   1HH1  ARG  72          1HH1      ARG  72   3.506  -8.336   5.478
  573   2HH1  ARG  72          2HH1      ARG  72   4.303  -9.555   4.556
  574   1HH2  ARG  72          1HH2      ARG  72   5.951 -10.980   7.288
  575   2HH2  ARG  72          2HH2      ARG  72   5.686 -11.052   5.576
  576    H    LEU  73           H        LEU  73  -0.436  -9.547  10.185
  577    HA   LEU  73           HA       LEU  73  -2.147  -8.514  12.199
  578   1HB   LEU  73          2HB       LEU  73  -1.782 -10.969  11.367
  579   2HB   LEU  73          1HB       LEU  73  -0.527 -11.012  12.595
  580    HG   LEU  73           HG       LEU  73  -2.738  -9.999  13.946
  581   1HD1  LEU  73          1HD1      LEU  73  -3.800 -11.060  11.678
  582   2HD1  LEU  73          2HD1      LEU  73  -4.640 -10.921  13.227
  583   3HD1  LEU  73          3HD1      LEU  73  -3.857 -12.438  12.780
  584   1HD2  LEU  73          1HD2      LEU  73  -1.834 -11.515  15.306
  585   2HD2  LEU  73          2HD2      LEU  73  -1.018 -12.299  13.950
  586   3HD2  LEU  73          3HD2      LEU  73  -2.661 -12.770  14.378
  587    H    ARG  74           H        ARG  74  -1.716  -7.450  13.973
  588    HA   ARG  74           HA       ARG  74   0.819  -7.762  15.355
  589   1HB   ARG  74          2HB       ARG  74   0.353  -5.622  13.570
  590   2HB   ARG  74          1HB       ARG  74   0.269  -4.952  15.189
  591   1HG   ARG  74          2HG       ARG  74   2.519  -6.775  14.626
  592   2HG   ARG  74          1HG       ARG  74   2.541  -5.195  13.833
  593   1HD   ARG  74          2HD       ARG  74   2.512  -4.038  15.881
  594   2HD   ARG  74          1HD       ARG  74   2.037  -5.490  16.783
  595    HE   ARG  74           HE       ARG  74   4.488  -6.090  15.692
  596   1HH1  ARG  74          1HH1      ARG  74   3.268  -3.618  17.832
  597   2HH1  ARG  74          2HH1      ARG  74   4.774  -3.425  18.675
  598   1HH2  ARG  74          1HH2      ARG  74   6.470  -5.819  16.779
  599   2HH2  ARG  74          2HH2      ARG  74   6.582  -4.683  18.081
  600    H    GLY  75           H        GLY  75  -2.173  -8.163  15.790
  601   1HA   GLY  75          2HA       GLY  75  -2.912  -6.253  17.794
  602   2HA   GLY  75          1HA       GLY  75  -3.774  -7.715  17.387
  603    H    GLY  76           H        GLY  76  -4.146  -8.512  19.383
  604   1HA   GLY  76          2HA       GLY  76  -1.996  -8.667  21.326
  605   2HA   GLY  76          1HA       GLY  76  -3.670  -9.146  21.584
  606    H    HIS  77           H        HIS  77  -0.951 -10.446  22.014
  607    HA   HIS  77           HA       HIS  77  -0.645 -12.624  20.278
  608   1HB   HIS  77          2HB       HIS  77   0.272 -11.963  23.024
  609   2HB   HIS  77          1HB       HIS  77   0.353 -13.657  22.538
  610    HD1  HIS  77           1HD      HIS  77   1.132 -10.583  20.415
  611    HD2  HIS  77           2HD      HIS  77   3.009 -13.940  21.998
  612    HE1  HIS  77           1HE      HIS  77   3.459 -10.577  19.458
  613    HE2  HIS  77           2HE      HIS  77   4.583 -12.591  20.447
  614    H    HIS  78           H        HIS  78  -0.688 -14.947  21.397
  615    HA   HIS  78           HA       HIS  78  -3.482 -15.383  22.201
  616   1HB   HIS  78          2HB       HIS  78  -3.081 -17.729  21.290
  617   2HB   HIS  78          1HB       HIS  78  -3.136 -16.437  20.099
  618    HD1  HIS  78           1HD      HIS  78  -0.595 -15.498  19.454
  619    HD2  HIS  78           2HD      HIS  78  -0.927 -19.333  21.028
  620    HE1  HIS  78           1HE      HIS  78   1.558 -16.666  18.857
  621    HE2  HIS  78           2HE      HIS  78   1.280 -19.012  19.731
  622    H    HIS  79           H        HIS  79  -3.944 -16.775  23.899
  623    HA   HIS  79           HA       HIS  79  -1.660 -17.344  25.650
  624   1HB   HIS  79          2HB       HIS  79  -4.041 -16.083  26.179
  625   2HB   HIS  79          1HB       HIS  79  -4.323 -17.710  26.800
  626    HD1  HIS  79           1HD      HIS  79  -2.682 -14.536  27.580
  627    HD2  HIS  79           2HD      HIS  79  -2.369 -18.494  28.831
  628    HE1  HIS  79           1HE      HIS  79  -1.395 -14.468  29.750
  629    HE2  HIS  79           2HE      HIS  79  -1.206 -16.876  30.468
  630    H    HIS  80           H        HIS  80  -1.077 -19.370  26.146
  631    HA   HIS  80           HA       HIS  80  -2.598 -21.561  24.967
  632   1HB   HIS  80          2HB       HIS  80   0.162 -21.039  25.325
  633   2HB   HIS  80          1HB       HIS  80  -0.211 -22.421  26.345
  634    HD1  HIS  80           1HD      HIS  80  -1.833 -24.269  24.879
  635    HD2  HIS  80           2HD      HIS  80   0.932 -21.896  22.875
  636    HE1  HIS  80           1HE      HIS  80  -1.399 -25.433  22.690
  637    HE2  HIS  80           2HE      HIS  80   0.340 -24.020  21.542
  638    H    HIS  81           H        HIS  81  -4.199 -22.281  26.208
  639    HA   HIS  81           HA       HIS  81  -3.879 -22.367  29.106
  640   1HB   HIS  81          2HB       HIS  81  -6.114 -22.142  27.267
  641   2HB   HIS  81          1HB       HIS  81  -6.396 -23.385  28.481
  642    HD1  HIS  81           1HD      HIS  81  -4.316 -20.617  29.691
  643    HD2  HIS  81           2HD      HIS  81  -8.359 -21.538  29.478
  644    HE1  HIS  81           1HE      HIS  81  -5.447 -19.019  31.263
  645    HE2  HIS  81           2HE      HIS  81  -7.902 -19.519  31.032
  646    H    HIS  82           H        HIS  82  -3.279 -24.147  30.123
  647    HA   HIS  82           HA       HIS  82  -2.951 -26.637  28.745
  648   1HB   HIS  82          2HB       HIS  82  -1.497 -25.663  30.653
  649   2HB   HIS  82          1HB       HIS  82  -2.741 -26.290  31.730
  650    HD1  HIS  82           1HD      HIS  82  -1.106 -28.014  32.759
  651    HD2  HIS  82           2HD      HIS  82  -1.665 -28.447  28.665
  652    HE1  HIS  82           1HE      HIS  82  -0.111 -30.261  32.173
  653    HE2  HIS  82           2HE      HIS  82  -0.435 -30.480  29.679