*HEADER    ISOMERASE                               28-APR-06   2GTV              
*TITLE     NMR STRUCTURE OF MONOMERIC CHORISMATE MUTASE FROM                     
*TITLE    2 METHANOCOCCUS JANNASCHII                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CHORISMATE MUTASE;                                         
*COMPND   3 CHAIN: X;                                                            
*COMPND   4 SYNONYM: CM; HYPOTHETICAL PROTEIN MJ0246;                            
*COMPND   5 EC: 5.4.99.5;                                                        
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: METHANOCOCCUS JANNASCHII;                       
*SOURCE   3 ORGANISM_COMMON: ARCHAEA;                                            
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: KA13;                                      
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID                               
*KEYWDS    FOUR-HELIX BUNDLE                                                     
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    B.R.VOGELI                                                            
*REVDAT   1   31-OCT-06 2GTV    0                                                



####### NOE constraints for protein and ligand #######

 assign(resid 34   and name   NE  ) (resid 400 and name    O1 ) 0.0 0.0  4.86
 assign(resid 34   and name   NE  ) (resid 400 and name    O2 ) 0.0 0.0  4.92
 assign(resid 34   and name   CZ  ) (resid 400 and name    C10  ) 0.0 0.0  4.01
 assign(resid 34   and name   CZ  ) (resid 400 and name    O1 ) 0.0 0.0  3.55
 assign(resid 34   and name   CZ  ) (resid 400 and name    O2 ) 0.0 0.0  3.67
 assign(resid 34   and name   NH1 ) (resid 400 and name    O1 ) 0.0 0.0  2.79
 assign(resid 34   and name   NH1 ) (resid 400 and name    O2 ) 0.0 0.0  3.64
 assign(resid 34   and name   NH2 ) (resid 400 and name    C10  ) 0.0 0.0  3.55
 assign(resid 34   and name   NH2 ) (resid 400 and name    O1 ) 0.0 0.0  3.43
 assign(resid 34   and name   NH2 ) (resid 400 and name    O2 ) 0.0 0.0  2.89
 assign(resid 45   and name   CE  ) (resid 400 and name    O7 ) 0.0 0.0  4.19
 assign(resid 45   and name   CE  ) (resid 400 and name    C8 ) 0.0 0.0  4.63
 assign(resid 45   and name   CE  ) (resid 400 and name    C11  ) 0.0 0.0  4.33
 assign(resid 45   and name   CE  ) (resid 400 and name    O4 ) 0.0 0.0  3.36
 assign(resid 45   and name   NZ  ) (resid 400 and name    C3 ) 0.0 0.0  4.89
 assign(resid 45   and name   NZ  ) (resid 400 and name    C4 ) 0.0 0.0  3.84
 assign(resid 45   and name   NZ  ) (resid 400 and name    O5 ) 0.0 0.0  4.74
 assign(resid 45   and name   NZ  ) (resid 400 and name    C5 ) 0.0 0.0  3.78
 assign(resid 45   and name   NZ  ) (resid 400 and name    O7 ) 0.0 0.0  3.09
 assign(resid 45   and name   NZ  ) (resid 400 and name    C8 ) 0.0 0.0  3.87
 assign(resid 45   and name   NZ  ) (resid 400 and name    C11  ) 0.0 0.0  3.79
 assign(resid 45   and name   NZ  ) (resid 400 and name    O3 ) 0.0 0.0  4.96
 assign(resid 45   and name   NZ  ) (resid 400 and name    O4 ) 0.0 0.0  2.86
 assign(resid 57   and name   NE  ) (resid 400 and name    O3 ) 0.0 0.0  3.90
 assign(resid 57   and name   NE  ) (resid 400 and name    O3 ) 0.0 0.0  3.90
 assign(resid 57   and name   HE  ) (resid 400 and name    O3 ) 0.0 0.0  3.20
 assign(resid 58   and name   CG  ) (resid 400 and name    C1 ) 0.0 0.0  4.96
 assign(resid 58   and name   CG  ) (resid 400 and name    C2 ) 0.0 0.0  3.90
 assign(resid 58   and name   CG  ) (resid 400 and name    C3 ) 0.0 0.0  3.67
 assign(resid 58   and name   CG  ) (resid 400 and name    C4 ) 0.0 0.0  4.34
 assign(resid 58   and name   CG  ) (resid 400 and name    O5 ) 0.0 0.0  3.66
 assign(resid 58   and name   CD  ) (resid 400 and name    C2 ) 0.0 0.0  4.67
 assign(resid 58   and name   CD  ) (resid 400 and name    C3 ) 0.0 0.0  4.32
 assign(resid 58   and name   CD  ) (resid 400 and name    O5 ) 0.0 0.0  3.43
 assign(resid 58   and name   OE1 ) (resid 400 and name    O5 ) 0.0 0.0  4.58
 assign(resid 58   and name   OE2 ) (resid 400 and name    C1 ) 0.0 0.0  4.94
 assign(resid 58   and name   OE2 ) (resid 400 and name    C2 ) 0.0 0.0  4.38
 assign(resid 58   and name   OE2 ) (resid 400 and name    C3 ) 0.0 0.0  3.90
 assign(resid 58   and name   OE2 ) (resid 400 and name    C4 ) 0.0 0.0  3.69
 assign(resid 58   and name   OE2 ) (resid 400 and name    O5 ) 0.0 0.0  2.46
 assign(resid 58   and name   OE2 ) (resid 400 and name    C5 ) 0.0 0.0  4.35
 assign(resid 58   and name   OE2 ) (resid 400 and name    C6 ) 0.0 0.0  4.20
 assign(resid 90   and name   CB  ) (resid 400 and name    C10  ) 0.0 0.0  4.33
 assign(resid 90   and name   CB  ) (resid 400 and name    O1 ) 0.0 0.0  3.20
 assign(resid 90   and name   OD1 ) (resid 400 and name    C1 ) 0.0 0.0  4.20
 assign(resid 90   and name   OD1 ) (resid 400 and name    C5 ) 0.0 0.0  4.83
 assign(resid 90   and name   OD1 ) (resid 400 and name    C6 ) 0.0 0.0  3.84
 assign(resid 90   and name   OD1 ) (resid 400 and name    O7 ) 0.0 0.0  4.75
 assign(resid 90   and name   OD1 ) (resid 400 and name    C8 ) 0.0 0.0  4.72
 assign(resid 94   and name   CG  ) (resid 400 and name    O7 ) 0.0 0.0  4.99
 assign(resid 94   and name   CD  ) (resid 400 and name    C5 ) 0.0 0.0  4.33
 assign(resid 94   and name   CD  ) (resid 400 and name    C6 ) 0.0 0.0  4.96
 assign(resid 94   and name   CD  ) (resid 400 and name    O7 ) 0.0 0.0  3.51
 assign(resid 94   and name   CD  ) (resid 400 and name    C8 ) 0.0 0.0  4.16
 assign(resid 94   and name   CD  ) (resid 400 and name    C9 ) 0.0 0.0  4.97
 assign(resid 94   and name   OE1 ) (resid 400 and name    C5 ) 0.0 0.0  4.38
 assign(resid 94   and name   OE1 ) (resid 400 and name    O7 ) 0.0 0.0  3.36
 assign(resid 94   and name   OE1 ) (resid 400 and name    C8 ) 0.0 0.0  3.94
 assign(resid 94   and name   OE1 ) (resid 400 and name    C11  ) 0.0 0.0  4.86
 assign(resid 94   and name   OE1 ) (resid 400 and name    O4 ) 0.0 0.0  4.76
 assign(resid 94   and name   NE2 ) (resid 400 and name    C1 ) 0.0 0.0  4.68
 assign(resid 94   and name   NE2 ) (resid 400 and name    C4 ) 0.0 0.0  4.86
 assign(resid 94   and name   NE2 ) (resid 400 and name    C5 ) 0.0 0.0  3.41
 assign(resid 94   and name   NE2 ) (resid 400 and name    C6 ) 0.0 0.0  3.78
 assign(resid 94   and name   NE2 ) (resid 400 and name    O7 ) 0.0 0.0  2.85
 assign(resid 94   and name   NE2 ) (resid 400 and name    C8 ) 0.0 0.0  3.58
 assign(resid 94   and name   NE2 ) (resid 400 and name    C9 ) 0.0 0.0  4.11
 assign(resid 94   and name   NE2 ) (resid 400 and name    C11  ) 0.0 0.0  4.97
 assign(resid  9   and name   NE  ) (resid 400 and name    O3 ) 0.0 0.0  2.80
 assign(resid  9   and name   HE  ) (resid 400 and name    O3 ) 0.0 0.0  1.80
 assign(resid  9   and name   NH1 ) (resid 400 and name    O4 ) 0.0 0.0  2.80
 assign(resid  9   and name   HH11 ) (resid 400 and name    O4 ) 0.0 0.0  1.80
assign(resid   400 and name HO5) (resid   58 and name OE2) 0.0 0.0   3.0   ! 
assign(resid   400 and name O5) (resid   54 and name HN) 0.0 0.0   3.0   ! 
assign(resid   400 and name O7) (resid   45 and name HZ#) 0.0 0.0   3.2   !  
assign(resid   400 and name O4) (resid   45 and name HZ#) 0.0 0.0   3.2   !  
assign(resid   400 and name O1) (resid   34 and name HH1#) 0.0 0.0   3.5   ! 
assign(resid   400 and name O2) (resid   34 and name HH2#) 0.0 0.0   3.5   ! 


assign(resid   400 and name 1H9) (resid   34 and name HH2#) 0.0 0.0   4.8   ! peak 2103 in hhn noesy
assign(resid   400 and name 2H9) (resid   34 and name HH2#) 0.0 0.0   4.8   ! peak 2103 in hhn noesy
assign(resid   400 and name 1H9) (resid   34 and name HH1#) 0.0 0.0   4.8   ! peak 2103 in hhn noesy
assign(resid   400 and name 2H9) (resid   34 and name HH1#) 0.0 0.0   4.8   ! peak 2103 in hhn noesy

assign(resid   400 and name 1H3) (resid   57 and name HN) 0.0 0.0   4.2   ! peak 2103 in hhn noesy
assign(resid   400 and name 1H3) (resid   58 and name HN) 0.0 0.0   3.9   ! peak 2090 in hhn noesy
assign(resid   400 and name HO5) (resid   54 and name HN) 0.0 0.0   4.0   ! peak 1051 in hhn noesy 
!assign(resid   400 and name H4) (resid   54 and name HN) 0.0 0.0   4.0    ! peak 1419 in hhn noesy 
assign(resid   400 and name HO5) (resid   58 and name HN) 0.0 0.0   3.8   ! peak 2104 in hhn noesy 
assign(resid   400 and name 1H6) (resid   91 and name HN) 0.0 0.0   4.3   ! peak 906 in hhn noesy
assign(resid   400 and name 1H3) (resid   54 and name HB#) 0.0 0.0   3.9   ! peak 3407 in hhc noesy 
assign(resid   400 and name HO5) (resid   54 and name HA) 0.0 0.0   3.9   ! peak 3409 in hhc noesy 
assign(resid   400 and name 1H2) (resid   57 and name HA) 0.0 0.0   5.3   ! peak 3412 in hhc noesy 
!assign(resid   400 and name 1H3) (resid   57 and name HA) 0.0 0.0   4.0   ! peak 3413 in hhc noesy 
assign(resid   400 and name 1H3) (resid   57 and name HB#) 0.0 0.0   4.4   ! peak 3414 in hhc noesy 
assign(resid   400 and name H4) (resid   57 and name HB#) 0.0 0.0   3.9   ! peak 3416 in hhc noesy 
assign(resid   400 and name 1H2) (resid   9 and name HD#) 0.0 0.0   4.5   ! peak 3371 in hhc noesy 
assign(resid   400 and name HO5) (resid   87 and name HG2#) 0.0 0.0   4.3   ! peak 2809 in hhc noesy 
assign(resid   400 and name H8) (resid   38 and name HA) 0.0 0.0   4.5   ! peak 3420 in hhc noesy 

!assign(resid   400 and name 1H2) (resid   9 and name HH1#) 0.0 0.0   4.5   ! peak 26 in hhn-arg noesy 
!assign(resid   400 and name 1H2) (resid   9 and name HH2#) 0.0 0.0   4.0   ! peak 24 in hhn-arg noesy 
!assign(resid   400 and name 1H3) (resid   9 and name HH1#) 0.0 0.0   4.3   ! peak 71 in hhn-arg noesy 
assign(resid   400 and name H8) (resid   9 and name HH11) 0.0 0.0   4.0   ! peak 72 in hhn-arg noesy 
assign(resid   400 and name H8) (resid   9 and name HE) 0.0 0.0   4.0   ! peak 72 in hhn-arg noesy 
!assign(resid   400 and name 1H9) (resid   9 and name HH1#) 0.0 0.0   4.9   ! peak 73 in hhn-arg noesy 
!assign(resid   400 and name 1H9) (resid   9 and name HH2#) 0.0 0.0   3.9   ! peak 39 in hhn-arg noesy 


assign(resid   400 and name 1H2) (resid   57 and name HE) 0.0 0.0   3.9   ! peak 75 in hhn-arg noesy 

assign(resid   400 and name 1H3) (resid   54 and name HB#) 0.0 0.0   3.9   ! peak 2114,2115 in 2D noesy 
assign(resid   400 and name 1H3) (resid   45 and name HE#) 0.0 0.0   4.2   ! peak 2114 in 2D noesy 
assign(resid   400 and name HO5) (resid   53 and name HA) 0.0 0.0   3.9   ! peak 2107 in 2D noesy 
assign(resid   400 and name HO5) (resid   58 and name HB#) 0.0 0.0   4.5   ! peak 2109 in 2D noesy 
assign(resid   400 and name 1H3) (resid   57 and name HD#) 0.0 0.0   4.5   ! peak 2115 in 2D noesy 
assign(resid   400 and name 1H2) (resid   57 and name HD#) 0.0 0.0   4.5   ! peak 2127 in 2D noesy 
assign(resid   400 and name HO5) (resid   57 and name HB#) 0.0 0.0   4.2   ! peak 2110 in 2D noesy 
assign(resid   400 and name 1H3) (resid   57 and name HB#) 0.0 0.0   3.9   ! peak 2112 in 2D noesy 
assign(resid   400 and name 1H3) (resid   57 and name HG#) 0.0 0.0   4.5   ! peak 2119 in 2D noesy 
assign(resid   400 and name 1H2) (resid   57 and name HG#) 0.0 0.0   4.0   ! peak 2122 in 2D noesy 
assign(resid   400 and name HO5) (resid   87 and name HG2#) 0.0 0.0   4.5   ! peak 2123 in 2D noesy 

assign(resid   400 and name H8) (resid   45 and name HZ#) 0.0 0.0   4.2   !   
assign(resid   400 and name H5) (resid   45 and name HZ#) 0.0 0.0   4.2   !   

assign(resid   6 and name HN) (resid   6 and name HB#) 0.0 0.0   2.82
assign(resid   8 and name HA) (resid   8 and name HG1#) 0.0 0.0   3.68
assign(resid   8 and name HA) (resid   8 and name HD1#) 0.0 0.0   3.92
assign(resid   8 and name HB) (resid   8 and name HD1#) 0.0 0.0   3.12
assign(resid  22 and name HN) (resid  22 and name HB#) 0.0 0.0   2.91
assign(resid   6 and name HB#) (resid   7 and name HN) 0.0 0.0   3.15
assign(resid   3 and name HA) (resid   6 and name HB#) 0.0 0.0   3.16
assign(resid   5 and name HD2#) (resid   6 and name HB#) 0.0 0.0   4.38
assign(resid   6 and name HB#) (resid  10 and name HB#) 0.0 0.0   5.00
assign(resid  89 and name HA) (resid  92 and name HB#) 0.0 0.0   3.16
assign(resid  92 and name HB#) (resid  93 and name HD1#) 0.0 0.0   3.84
assign(resid  42 and name HA) (resid  98 and name HD2#) 0.0 0.0   3.65
assign(resid  42 and name HN) (resid  42 and name HB#) 0.0 0.0   2.94
assign(resid  42 and name HB#) (resid  94 and name HA) 0.0 0.0   3.26
assign(resid  39 and name HA) (resid  42 and name HB#) 0.0 0.0   3.47
assign(resid  42 and name HB#) (resid  97 and name HB#) 0.0 0.0   3.49
assign(resid  42 and name HB#) (resid  94 and name HG1) 0.0 0.0   3.66
assign(resid  42 and name HB#) (resid  94 and name HB#) 0.0 0.0   3.41
assign(resid  42 and name HB#) (resid  98 and name HB2) 0.0 0.0   4.36
assign(resid  42 and name HB#) (resid  45 and name HG1) 0.0 0.0   4.16
assign(resid  42 and name HB#) (resid  52 and name HD1#) 0.0 0.0   4.37
assign(resid  42 and name HB#) (resid  97 and name HD#) 0.0 0.0   3.16
assign(resid   5 and name HA) (resid   8 and name HB) 0.0 0.0   3.87
assign(resid   8 and name HN) (resid   8 and name HD1#) 0.0 0.0   3.59
assign(resid  44 and name HN) (resid  44 and name HD1#) 0.0 0.0   3.50
assign(resid  19 and name HA) (resid  19 and name HG2#) 0.0 0.0   3.22
assign(resid  44 and name HD1#) (resid  47 and name HN) 0.0 0.0   4.86
assign(resid  51 and name HA) (resid  52 and name HN) 0.0 0.0   3.05
assign(resid  74 and name HN) (resid  74 and name HB) 0.0 0.0   3.74
assign(resid  78 and name HA) (resid  78 and name HG2#) 0.0 0.0   3.60
assign(resid  78 and name HA) (resid  78 and name HG12) 0.0 0.0   3.49
assign(resid  75 and name HB#) (resid  78 and name HB) 0.0 0.0   3.89
assign(resid  78 and name HG2#) (resid  78 and name HG12) 0.0 0.0   3.44
assign(resid  75 and name HB#) (resid  78 and name HG12) 0.0 0.0   4.36
assign(resid  78 and name HG2#) (resid  78 and name HG11) 0.0 0.0   3.49
assign(resid  44 and name HA) (resid  47 and name HB2) 0.0 0.0   4.69
assign(resid  44 and name HA) (resid  46 and name HN) 0.0 0.0   5.50
assign(resid  44 and name HB) (resid  45 and name HG2) 0.0 0.0   3.55
assign(resid   7 and name HA) (resid  10 and name HB#) 0.0 0.0   3.32
assign(resid   7 and name HA) (resid   7 and name HB#) 0.0 0.0   2.81
assign(resid   7 and name HA) (resid   7 and name HG#) 0.0 0.0   3.48
assign(resid   9 and name HA) (resid  12 and name HD1#) 0.0 0.0   4.27
assign(resid  66 and name HD1) (resid  80 and name HD1#) 0.0 0.0   4.84
assign(resid  12 and name HA) (resid  12 and name HD1#) 0.0 0.0   3.33
assign(resid  22 and name HA) (resid  24 and name HN) 0.0 0.0   4.89
assign(resid  93 and name HA) (resid  93 and name HD1#) 0.0 0.0   5.50
assign(resid  94 and name HA) (resid  97 and name HN) 0.0 0.0   4.23
assign(resid  94 and name HA) (resid  97 and name HB#) 0.0 0.0   4.05
assign(resid  94 and name HA) (resid  94 and name HG2) 0.0 0.0   4.17
assign(resid  94 and name HA) (resid  94 and name HG1) 0.0 0.0   4.04
assign(resid  97 and name HA) (resid 101 and name HN) 0.0 0.0   4.92
assign(resid  97 and name HA) (resid 100 and name HG2) 0.0 0.0   4.57
assign(resid  46 and name HB#) (resid  47 and name HA) 0.0 0.0   4.59
assign(resid  47 and name HA) (resid  47 and name HG1) 0.0 0.0   3.66
assign(resid  96 and name HA) (resid  96 and name HG2) 0.0 0.0   3.68
assign(resid 100 and name HN) (resid 100 and name HB1) 0.0 0.0   3.50
assign(resid 100 and name HB2) (resid 101 and name HN) 0.0 0.0   4.46
assign(resid 100 and name HN) (resid 100 and name HG1) 0.0 0.0   3.58
assign(resid 100 and name HN) (resid 100 and name HG2) 0.0 0.0   3.73
assign(resid 100 and name HA) (resid 100 and name HG1) 0.0 0.0   3.63
assign(resid 101 and name HA) (resid 101 and name HB) 0.0 0.0   2.92
assign(resid  98 and name HD2#) (resid 101 and name HB) 0.0 0.0   5.50
assign(resid 101 and name HN) (resid 101 and name HG2#) 0.0 0.0   3.59
assign(resid  97 and name HD#) (resid 101 and name HG2#) 0.0 0.0   4.04
assign(resid  97 and name HE#) (resid 101 and name HG2#) 0.0 0.0   3.60
assign(resid 101 and name HA) (resid 101 and name HG2#) 0.0 0.0   2.78
assign(resid 103 and name HA) (resid 103 and name HG1) 0.0 0.0   2.96
assign(resid 102 and name HN) (resid 103 and name HA) 0.0 0.0   5.37
assign(resid  77 and name HA) (resid  81 and name HN) 0.0 0.0   4.42
assign(resid  77 and name HA) (resid  80 and name HB) 0.0 0.0   3.67
assign(resid  77 and name HB2) (resid  78 and name HN) 0.0 0.0   3.91
assign(resid  97 and name HA) (resid 100 and name HB1) 0.0 0.0   4.07
assign(resid  97 and name HA) (resid 100 and name HG1) 0.0 0.0   4.64
assign(resid  75 and name HA) (resid  76 and name HN) 0.0 0.0   2.92
assign(resid  48 and name HA) (resid  48 and name HG) 0.0 0.0   3.77
assign(resid  73 and name HA) (resid  75 and name HN) 0.0 0.0   5.13
assign(resid  70 and name HA) (resid  73 and name HA) 0.0 0.0   4.08
assign(resid  73 and name HN) (resid  73 and name HB1) 0.0 0.0   4.06
assign(resid  71 and name HB2) (resid  72 and name HN) 0.0 0.0   3.25
assign(resid  71 and name HN) (resid  71 and name HG2) 0.0 0.0   4.42
assign(resid  71 and name HN) (resid  71 and name HG1) 0.0 0.0   4.42
assign(resid  71 and name HA) (resid  71 and name HG1) 0.0 0.0   3.90
assign(resid  70 and name HA) (resid  70 and name HB#) 0.0 0.0   2.91
assign(resid  70 and name HA) (resid  70 and name HG1) 0.0 0.0   3.85
assign(resid  70 and name HN) (resid  70 and name HB#) 0.0 0.0   3.36
assign(resid  70 and name HB#) (resid  71 and name HN) 0.0 0.0   3.81
assign(resid  41 and name HB) (resid  43 and name HN) 0.0 0.0   5.50
assign(resid  70 and name HA) (resid  70 and name HG2) 0.0 0.0   3.85
assign(resid  67 and name HA) (resid  70 and name HB#) 0.0 0.0   3.82
assign(resid  70 and name HN) (resid  70 and name HG2) 0.0 0.0   4.43
assign(resid  70 and name HN) (resid  70 and name HG1) 0.0 0.0   4.43
assign(resid  70 and name HA) (resid  70 and name HD2) 0.0 0.0   4.19
assign(resid  70 and name HA) (resid  70 and name HD1) 0.0 0.0   4.19
assign(resid  70 and name HN) (resid  70 and name HD2) 0.0 0.0   4.11
assign(resid  70 and name HN) (resid  70 and name HD1) 0.0 0.0   4.11
assign(resid  66 and name HA) (resid  69 and name HN) 0.0 0.0   4.32
assign(resid  66 and name HA) (resid  66 and name HG2) 0.0 0.0   4.20
assign(resid  66 and name HA) (resid  66 and name HG1) 0.0 0.0   4.20
assign(resid  65 and name HG2#) (resid  66 and name HA) 0.0 0.0   4.53
assign(resid  66 and name HB2) (resid  67 and name HN) 0.0 0.0   3.88
assign(resid  66 and name HB1) (resid  67 and name HN) 0.0 0.0   3.88
assign(resid  66 and name HN) (resid  66 and name HD1) 0.0 0.0   4.91
assign(resid  63 and name HA) (resid  66 and name HD1) 0.0 0.0   4.31
assign(resid  63 and name HA) (resid  66 and name HD2) 0.0 0.0   4.31
assign(resid  63 and name HB1) (resid  64 and name HA) 0.0 0.0   4.33
assign(resid  39 and name HA) (resid  39 and name HD1) 0.0 0.0   4.67
assign(resid  63 and name HA) (resid  66 and name HB2) 0.0 0.0   4.47
assign(resid  63 and name HA) (resid  66 and name HB1) 0.0 0.0   4.47
assign(resid  60 and name HA) (resid  63 and name HB2) 0.0 0.0   4.13
assign(resid  63 and name HN) (resid  63 and name HB2) 0.0 0.0   3.76
assign(resid  63 and name HB1) (resid  64 and name HN) 0.0 0.0   3.94
assign(resid  63 and name HN) (resid  63 and name HB1) 0.0 0.0   3.71
assign(resid  62 and name HA) (resid  62 and name HD#) 0.0 0.0   3.66
assign(resid  62 and name HA) (resid  65 and name HB) 0.0 0.0   3.81
assign(resid  62 and name HA) (resid  65 and name HG11) 0.0 0.0   4.56
assign(resid  60 and name HA) (resid  63 and name HB1) 0.0 0.0   4.13
assign(resid  59 and name HA) (resid  62 and name HN) 0.0 0.0   4.35
assign(resid  59 and name HA) (resid  62 and name HD#) 0.0 0.0   4.12
assign(resid  59 and name HA) (resid  59 and name HE2) 0.0 0.0   4.45
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assign(resid  68 and name O) (resid  71 and name N) 0.0 0.0   3.30
assign(resid  68 and name O) (resid  72 and name HN) 0.0 0.0   2.30
assign(resid  68 and name O) (resid  72 and name N) 0.0 0.0   3.30
assign(resid  70 and name O) (resid  73 and name HN) 0.0 0.0   2.30
assign(resid  70 and name O) (resid  73 and name N) 0.0 0.0   3.30
assign(resid  71 and name O) (resid  73 and name HN) 0.0 0.0   2.30
assign(resid  71 and name O) (resid  73 and name N) 0.0 0.0   3.30
assign(resid  72 and name O) (resid  74 and name HN) 0.0 0.0   2.30
assign(resid  72 and name O) (resid  74 and name N) 0.0 0.0   3.30
assign(resid  76 and name O) (resid  79 and name HN) 0.0 0.0   2.30
assign(resid  76 and name O) (resid  79 and name N) 0.0 0.0   3.30
assign(resid  76 and name O) (resid  80 and name HN) 0.0 0.0   2.30
assign(resid  76 and name O) (resid  80 and name N) 0.0 0.0   3.30
assign(resid  77 and name O) (resid  80 and name HN) 0.0 0.0   2.30
assign(resid  77 and name O) (resid  80 and name N) 0.0 0.0   3.30
assign(resid  77 and name O) (resid  81 and name HN) 0.0 0.0   2.30
assign(resid  77 and name O) (resid  81 and name N) 0.0 0.0   3.30
assign(resid  78 and name O) (resid  82 and name HN) 0.0 0.0   2.30
assign(resid  78 and name O) (resid  82 and name N) 0.0 0.0   3.30
assign(resid  79 and name O) (resid  82 and name HN) 0.0 0.0   2.30
assign(resid  79 and name O) (resid  82 and name N) 0.0 0.0   3.30
assign(resid  79 and name O) (resid  83 and name HN) 0.0 0.0   2.30
assign(resid  79 and name O) (resid  83 and name N) 0.0 0.0   3.30
assign(resid  80 and name O) (resid  84 and name HN) 0.0 0.0   2.30
assign(resid  80 and name O) (resid  84 and name N) 0.0 0.0   3.30
assign(resid  82 and name O) (resid  85 and name HN) 0.0 0.0   2.30
assign(resid  82 and name O) (resid  85 and name N) 0.0 0.0   3.30
assign(resid  82 and name O) (resid  86 and name HN) 0.0 0.0   2.30
assign(resid  82 and name O) (resid  86 and name N) 0.0 0.0   3.30
assign(resid  83 and name O) (resid  86 and name HN) 0.0 0.0   2.30
assign(resid  83 and name O) (resid  86 and name N) 0.0 0.0   3.30
assign(resid  83 and name O) (resid  87 and name HN) 0.0 0.0   2.30
assign(resid  83 and name O) (resid  87 and name N) 0.0 0.0   3.30
assign(resid  84 and name O) (resid  87 and name HN) 0.0 0.0   2.30
assign(resid  84 and name O) (resid  87 and name N) 0.0 0.0   3.30
assign(resid  84 and name O) (resid  88 and name HN) 0.0 0.0   2.30
assign(resid  84 and name O) (resid  88 and name N) 0.0 0.0   3.30
assign(resid  85 and name O) (resid  89 and name HN) 0.0 0.0   2.30
assign(resid  85 and name O) (resid  89 and name N) 0.0 0.0   3.30
assign(resid  86 and name O) (resid  90 and name HN) 0.0 0.0   2.30
assign(resid  86 and name O) (resid  90 and name N) 0.0 0.0   3.30
assign(resid  87 and name O) (resid  91 and name HN) 0.0 0.0   2.30
assign(resid  87 and name O) (resid  91 and name N) 0.0 0.0   3.30
assign(resid  88 and name O) (resid  91 and name HN) 0.0 0.0   2.30
assign(resid  88 and name O) (resid  91 and name N) 0.0 0.0   3.30
assign(resid  88 and name O) (resid  92 and name HN) 0.0 0.0   2.30
assign(resid  88 and name O) (resid  92 and name N) 0.0 0.0   3.30
assign(resid  89 and name O) (resid  93 and name HN) 0.0 0.0   2.30
assign(resid  89 and name O) (resid  93 and name N) 0.0 0.0   3.30
assign(resid  90 and name O) (resid  94 and name HN) 0.0 0.0   2.30
assign(resid  90 and name O) (resid  94 and name N) 0.0 0.0   3.30
assign(resid  91 and name O) (resid  95 and name HN) 0.0 0.0   2.30
assign(resid  91 and name O) (resid  95 and name N) 0.0 0.0   3.30
assign(resid  92 and name O) (resid  96 and name HN) 0.0 0.0   2.30
assign(resid  92 and name O) (resid  96 and name N) 0.0 0.0   3.30
assign(resid  93 and name O) (resid  97 and name HN) 0.0 0.0   2.30
assign(resid  93 and name O) (resid  97 and name N) 0.0 0.0   3.30
assign(resid  94 and name O) (resid  98 and name HN) 0.0 0.0   2.30
assign(resid  94 and name O) (resid  98 and name N) 0.0 0.0   3.30
assign(resid  95 and name O) (resid  99 and name HN) 0.0 0.0   2.30
assign(resid  95 and name O) (resid  99 and name N) 0.0 0.0   3.30
assign(resid  96 and name O) (resid 100 and name HN) 0.0 0.0   2.30
assign(resid  96 and name O) (resid 100 and name N) 0.0 0.0   3.30
assign(resid  97 and name O) (resid 100 and name HN) 0.0 0.0   2.30
assign(resid  97 and name O) (resid 100 and name N) 0.0 0.0   3.30
assign(resid  97 and name O) (resid 101 and name HN) 0.0 0.0   2.30
assign(resid  97 and name O) (resid 101 and name N) 0.0 0.0   3.30
assign(resid  98 and name O) (resid 102 and name HN) 0.0 0.0   2.30
assign(resid  98 and name O) (resid 102 and name N) 0.0 0.0   3.30
assign(resid  99 and name O) (resid 102 and name HN) 0.0 0.0   2.30
assign(resid  99 and name O) (resid 102 and name N) 0.0 0.0   3.30
assign(resid  99 and name O) (resid 103 and name HN) 0.0 0.0   2.30
assign(resid  99 and name O) (resid 103 and name N) 0.0 0.0   3.30



####### angular constraints #######

assign (resid    2 and name c)  (resid    3 and name n)
(resid    3 and name ca) (resid    3 and name c)  1.0 -80.000 60.000 2
assign (resid    3 and name c)  (resid    4 and name n)
(resid    4 and name ca) (resid    4 and name c)  1.0 -80.000 60.000 2
assign (resid    4 and name c)  (resid    5 and name n)
(resid    5 and name ca) (resid    5 and name c)  1.0 -80.000 60.000 2
assign (resid    5 and name c)  (resid    6 and name n)
(resid    6 and name ca) (resid    6 and name c)  1.0 -80.000 60.000 2
assign (resid    6 and name c)  (resid    7 and name n)
(resid    7 and name ca) (resid    7 and name c)  1.0 -80.000 60.000 2
assign (resid    7 and name c)  (resid    8 and name n)
(resid    8 and name ca) (resid    8 and name c)  1.0 -80.000 60.000 2
assign (resid    8 and name c)  (resid    9 and name n)
(resid    9 and name ca) (resid    9 and name c)  1.0 -80.000 60.000 2
assign (resid    9 and name c)  (resid   10 and name n)
(resid   10 and name ca) (resid   10 and name c)  1.0 -80.000 60.000 2
assign (resid   10 and name c)  (resid   11 and name n)
(resid   11 and name ca) (resid   11 and name c)  1.0 -80.000 60.000 2
assign (resid   11 and name c)  (resid   12 and name n)
(resid   12 and name ca) (resid   12 and name c)  1.0 -80.000 60.000 2
assign (resid   12 and name c)  (resid   13 and name n)
(resid   13 and name ca) (resid   13 and name c)  1.0 -80.000 60.000 2
assign (resid   13 and name c)  (resid   14 and name n)
(resid   14 and name ca) (resid   14 and name c)  1.0 -80.000 60.000 2
assign (resid   14 and name c)  (resid   15 and name n)
(resid   15 and name ca) (resid   15 and name c)  1.0 -80.000 60.000 2
assign (resid   15 and name c)  (resid   16 and name n)
(resid   16 and name ca) (resid   16 and name c)  1.0 -80.000 60.000 2
assign (resid   16 and name c)  (resid   17 and name n)
(resid   17 and name ca) (resid   17 and name c)  1.0 -80.000 60.000 2
assign (resid   17 and name c)  (resid   18 and name n)
(resid   18 and name ca) (resid   18 and name c)  1.0 -80.000 60.000 2
assign (resid   18 and name c)  (resid   19 and name n)
(resid   19 and name ca) (resid   19 and name c)  1.0 -80.000 60.000 2
assign (resid   19 and name c)  (resid   20 and name n)
(resid   20 and name ca) (resid   20 and name c)  1.0 -80.000 60.000 2
assign (resid   21 and name c)  (resid   22 and name n)
(resid   22 and name ca) (resid   22 and name c)  1.0 -80.000 60.000 2
assign (resid   22 and name c)  (resid   23 and name n)
(resid   23 and name ca) (resid   23 and name c)  1.0 -80.000 60.000 2
assign (resid   23 and name c)  (resid   24 and name n)
(resid   24 and name ca) (resid   24 and name c)  1.0 -80.000 60.000 2
assign (resid   31 and name c)  (resid   32 and name n)
(resid   32 and name ca) (resid   32 and name c)  1.0 -80.000 60.000 2
assign (resid   33 and name c)  (resid   34 and name n)
(resid   34 and name ca) (resid   34 and name c)  1.0 -80.000 60.000 2
assign (resid   34 and name c)  (resid   35 and name n)
(resid   35 and name ca) (resid   35 and name c)  1.0 -80.000 60.000 2
assign (resid   35 and name c)  (resid   36 and name n)
(resid   36 and name ca) (resid   36 and name c)  1.0 -80.000 60.000 2
assign (resid   37 and name c)  (resid   38 and name n)
(resid   38 and name ca) (resid   38 and name c)  1.0 -80.000 60.000 2
assign (resid   38 and name c)  (resid   39 and name n)
(resid   39 and name ca) (resid   39 and name c)  1.0 -80.000 60.000 2
assign (resid   39 and name c)  (resid   40 and name n)
(resid   40 and name ca) (resid   40 and name c)  1.0 -80.000 60.000 2
assign (resid   40 and name c)  (resid   41 and name n)
(resid   41 and name ca) (resid   41 and name c)  1.0 -80.000 60.000 2
assign (resid   41 and name c)  (resid   42 and name n)
(resid   42 and name ca) (resid   42 and name c)  1.0 -80.000 60.000 2
assign (resid   42 and name c)  (resid   43 and name n)
(resid   43 and name ca) (resid   43 and name c)  1.0 -80.000 60.000 2
assign (resid   43 and name c)  (resid   44 and name n)
(resid   44 and name ca) (resid   44 and name c)  1.0 -80.000 60.000 2
assign (resid   45 and name c)  (resid   46 and name n)
(resid   46 and name ca) (resid   46 and name c)  1.0 -80.000 60.000 2
assign (resid   46 and name c)  (resid   47 and name n)
(resid   47 and name ca) (resid   47 and name c)  1.0 -80.000 60.000 2
assign (resid   51 and name c)  (resid   52 and name n)
(resid   52 and name ca) (resid   52 and name c)  1.0 -80.000 60.000 2
assign (resid   55 and name c)  (resid   56 and name n)
(resid   56 and name ca) (resid   56 and name c)  1.0 -80.000 60.000 2
assign (resid   57 and name c)  (resid   58 and name n)
(resid   58 and name ca) (resid   58 and name c)  1.0 -80.000 60.000 2
assign (resid   58 and name c)  (resid   59 and name n)
(resid   59 and name ca) (resid   59 and name c)  1.0 -80.000 60.000 2
assign (resid   59 and name c)  (resid   60 and name n)
(resid   60 and name ca) (resid   60 and name c)  1.0 -80.000 60.000 2
assign (resid   61 and name c)  (resid   62 and name n)
(resid   62 and name ca) (resid   62 and name c)  1.0 -80.000 60.000 2
assign (resid   62 and name c)  (resid   63 and name n)
(resid   63 and name ca) (resid   63 and name c)  1.0 -80.000 60.000 2
assign (resid   63 and name c)  (resid   64 and name n)
(resid   64 and name ca) (resid   64 and name c)  1.0 -80.000 60.000 2
assign (resid   64 and name c)  (resid   65 and name n)
(resid   65 and name ca) (resid   65 and name c)  1.0 -80.000 60.000 2
assign (resid   65 and name c)  (resid   66 and name n)
(resid   66 and name ca) (resid   66 and name c)  1.0 -80.000 60.000 2
assign (resid   66 and name c)  (resid   67 and name n)
(resid   67 and name ca) (resid   67 and name c)  1.0 -80.000 60.000 2
assign (resid   67 and name c)  (resid   68 and name n)
(resid   68 and name ca) (resid   68 and name c)  1.0 -80.000 60.000 2
assign (resid   68 and name c)  (resid   69 and name n)
(resid   69 and name ca) (resid   69 and name c)  1.0 -80.000 60.000 2
assign (resid   75 and name c)  (resid   76 and name n)
(resid   76 and name ca) (resid   76 and name c)  1.0 -80.000 60.000 2
assign (resid   76 and name c)  (resid   77 and name n)
(resid   77 and name ca) (resid   77 and name c)  1.0 -80.000 60.000 2
assign (resid   77 and name c)  (resid   78 and name n)
(resid   78 and name ca) (resid   78 and name c)  1.0 -80.000 60.000 2
assign (resid   78 and name c)  (resid   79 and name n)
(resid   79 and name ca) (resid   79 and name c)  1.0 -80.000 60.000 2
assign (resid   79 and name c)  (resid   80 and name n)
(resid   80 and name ca) (resid   80 and name c)  1.0 -80.000 60.000 2
assign (resid   80 and name c)  (resid   81 and name n)
(resid   81 and name ca) (resid   81 and name c)  1.0 -80.000 60.000 2
assign (resid   84 and name c)  (resid   85 and name n)
(resid   85 and name ca) (resid   85 and name c)  1.0 -80.000 60.000 2
assign (resid   95 and name c)  (resid   96 and name n)
(resid   96 and name ca) (resid   96 and name c)  1.0 -80.000 60.000 2
assign (resid   96 and name c)  (resid   97 and name n)
(resid   97 and name ca) (resid   97 and name c)  1.0 -80.000 60.000 2
assign (resid   97 and name c)  (resid   98 and name n)
(resid   98 and name ca) (resid   98 and name c)  1.0 -80.000 60.000 2
assign (resid   98 and name c)  (resid   99 and name n)
(resid   99 and name ca) (resid   99 and name c)  1.0 -80.000 60.000 2
assign (resid   99 and name c)  (resid  100 and name n)
(resid  100 and name ca) (resid  100 and name c)  1.0 -80.000 60.000 2
assign (resid  100 and name c)  (resid  101 and name n)
(resid  101 and name ca) (resid  101 and name c)  1.0 -80.000 60.000 2
assign (resid  101 and name c)  (resid  102 and name n)
(resid  102 and name ca) (resid  102 and name c)  1.0 -80.000 60.000 2
assign (resid  102 and name c)  (resid  103 and name n)
(resid  103 and name ca) (resid  103 and name c)  1.0 -80.000 60.000 2

####### backbone HN-N residual dipolar couplings #######

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  )  6.0  0.2000    !1st = RDC; 2nd = error, only used square well potential
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  )  13.6  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  )  3.4  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  )  7.1  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  )  9.1  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  )  13.1  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  )  9.9  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  )  4.9  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  )  8.6  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  )  14.8  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  )  4.2  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  )  9.6  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  )  16.2  0.2000  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 37   and name N   )
       ( resid 37   and name HN  )  1.1  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  )  10.3  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  ) 14.6  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  ) 19.0  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  )  9.8  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  )  7.4  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  ) 20.0  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  ) 11.1  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  )  9.9  0.2000  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 48   and name N   )
       ( resid 48   and name HN  ) 14.7  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  )  2.9  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  ) 16.1  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  )  -2.5  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  )  2.6  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  )  0.1  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  )  2.9  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  )  -1.8  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  ) -2.8  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  )  8.1  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  ) 11.5  0.2000  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 72   and name N   )
       ( resid 72   and name HN  )  0.9  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  ) 17.6  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  ) 11.4  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  ) 12.6  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  )  -2.6  0.2000  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 84   and name N   )
       ( resid 84   and name HN  )  -2.5  0.2000  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 85   and name N   )
       ( resid 85   and name HN  )  0.4  0.2000  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 87   and name N   )
       ( resid 87   and name HN  )  -3.4  0.2000  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 90   and name N   )
       ( resid 90   and name HN  )  -5.9  0.2000  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 92   and name N   )
       ( resid 92   and name HN  )  -0.1  0.2000  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 94   and name N   )
       ( resid 94   and name HN  )  -4.6  0.2000  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 99   and name N   )
       ( resid 99   and name HN  )  1.0  0.2000  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 100   and name N   )
       ( resid 100   and name HN  )  -1.5  0.2000  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 101   and name N   )
       ( resid 101   and name HN  )  -5.5  0.2000  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 102   and name N   )
       ( resid 102   and name HN  )  -4.4  0.2000  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 103   and name N   )
       ( resid 103   and name HN  )  4.0  0.2000  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 104   and name N   )
       ( resid 104   and name HN  )  0.6  0.2000  
                                                   


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1HT       MET   1 -15.858 -11.339  -3.817
    2   2H    MET   1          2HT       MET   1 -17.366 -10.575  -3.652
    3   3H    MET   1          3HT       MET   1 -16.780 -10.977  -5.195
    4    HA   MET   1           HA       MET   1 -18.506 -12.475  -3.767
    5   1HB   MET   1          2HB       MET   1 -16.466 -13.339  -5.846
    6   2HB   MET   1          1HB       MET   1 -17.895 -14.270  -5.397
    7   1HG   MET   1          2HG       MET   1 -17.967 -11.438  -6.492
    8   2HG   MET   1          1HG       MET   1 -18.249 -12.887  -7.456
    9   1HE   MET   1          1HE       MET   1 -21.012 -13.880  -7.625
   10   2HE   MET   1          2HE       MET   1 -21.203 -14.576  -6.018
   11   3HE   MET   1          3HE       MET   1 -19.640 -14.657  -6.825
   12    H    ILE   2           H        ILE   2 -14.977 -12.733  -3.688
   13    HA   ILE   2           HA       ILE   2 -15.248 -14.513  -1.315
   14    HB   ILE   2           HB       ILE   2 -13.379 -15.923  -2.182
   15   1HG1  ILE   2          2HG1      ILE   2 -13.844 -14.381  -4.758
   16   2HG1  ILE   2          1HG1      ILE   2 -12.439 -14.189  -3.708
   17   1HG2  ILE   2          1HG2      ILE   2 -14.723 -17.222  -3.682
   18   2HG2  ILE   2          2HG2      ILE   2 -15.654 -15.809  -4.176
   19   3HG2  ILE   2          3HG2      ILE   2 -15.842 -16.463  -2.549
   20   1HD1  ILE   2          1HD1      ILE   2 -13.267 -16.739  -5.126
   21   2HD1  ILE   2          2HD1      ILE   2 -11.901 -16.593  -4.020
   22   3HD1  ILE   2          3HD1      ILE   2 -11.897 -15.712  -5.548
   23    H    GLU   3           H        GLU   3 -12.598 -14.874  -0.721
   24    HA   GLU   3           HA       GLU   3 -11.766 -12.483   0.496
   25   1HB   GLU   3          2HB       GLU   3  -9.483 -13.544   0.560
   26   2HB   GLU   3          1HB       GLU   3 -10.774 -14.603   1.126
   27   1HG   GLU   3          2HG       GLU   3 -10.868 -15.697  -1.071
   28   2HG   GLU   3          1HG       GLU   3  -9.605 -14.623  -1.673
   29    H    LYS   4           H        LYS   4 -12.543 -11.665  -2.046
   30    HA   LYS   4           HA       LYS   4 -10.397 -11.302  -3.904
   31   1HB   LYS   4          2HB       LYS   4 -12.896  -9.660  -3.376
   32   2HB   LYS   4          1HB       LYS   4 -11.811  -9.380  -4.739
   33   1HG   LYS   4          2HG       LYS   4 -12.206 -11.643  -5.571
   34   2HG   LYS   4          1HG       LYS   4 -13.210 -12.014  -4.168
   35   1HD   LYS   4          2HD       LYS   4 -14.780 -11.460  -5.847
   36   2HD   LYS   4          1HD       LYS   4 -14.636  -9.979  -4.902
   37   1HE   LYS   4          2HE       LYS   4 -13.187  -8.974  -6.526
   38   2HE   LYS   4          1HE       LYS   4 -12.981 -10.503  -7.380
   39   1HZ   LYS   4          1HZ       LYS   4 -15.730  -9.799  -7.133
   40   2HZ   LYS   4          2HZ       LYS   4 -14.831 -10.158  -8.529
   41   3HZ   LYS   4          3HZ       LYS   4 -14.853  -8.575  -7.914
   42    H    LEU   5           H        LEU   5 -11.499  -9.352  -1.149
   43    HA   LEU   5           HA       LEU   5  -9.784  -7.108  -1.492
   44   1HB   LEU   5          2HB       LEU   5 -11.728  -7.540   0.193
   45   2HB   LEU   5          1HB       LEU   5 -10.479  -8.256   1.206
   46    HG   LEU   5           HG       LEU   5  -9.873  -5.577   0.053
   47   1HD1  LEU   5          1HD1      LEU   5 -11.928  -6.071   2.232
   48   2HD1  LEU   5          2HD1      LEU   5 -12.181  -5.223   0.706
   49   3HD1  LEU   5          3HD1      LEU   5 -11.153  -4.511   1.949
   50   1HD2  LEU   5          1HD2      LEU   5  -8.295  -6.752   1.545
   51   2HD2  LEU   5          2HD2      LEU   5  -9.543  -6.864   2.788
   52   3HD2  LEU   5          3HD2      LEU   5  -8.900  -5.289   2.322
   53    H    ALA   6           H        ALA   6  -9.217 -10.294  -0.104
   54    HA   ALA   6           HA       ALA   6  -6.693  -9.761   1.125
   55   1HB   ALA   6          1HB       ALA   6  -7.470 -12.383  -0.158
   56   2HB   ALA   6          2HB       ALA   6  -8.171 -11.837   1.366
   57   3HB   ALA   6          3HB       ALA   6  -6.435 -12.123   1.246
   58    H    GLU   7           H        GLU   7  -7.382 -11.207  -2.092
   59    HA   GLU   7           HA       GLU   7  -4.698 -11.354  -2.970
   60   1HB   GLU   7          2HB       GLU   7  -7.220 -10.845  -4.571
   61   2HB   GLU   7          1HB       GLU   7  -5.658 -11.266  -5.277
   62   1HG   GLU   7          2HG       GLU   7  -7.123 -12.966  -3.237
   63   2HG   GLU   7          1HG       GLU   7  -7.159 -13.245  -4.978
   64    H    ILE   8           H        ILE   8  -6.894  -8.608  -2.835
   65    HA   ILE   8           HA       ILE   8  -5.431  -6.834  -4.538
   66    HB   ILE   8           HB       ILE   8  -7.246  -6.341  -2.173
   67   1HG1  ILE   8          2HG1      ILE   8  -7.650  -5.843  -5.137
   68   2HG1  ILE   8          1HG1      ILE   8  -8.180  -7.311  -4.314
   69   1HG2  ILE   8          1HG2      ILE   8  -6.148  -4.325  -2.127
   70   2HG2  ILE   8          2HG2      ILE   8  -7.243  -3.978  -3.465
   71   3HG2  ILE   8          3HG2      ILE   8  -5.583  -4.476  -3.790
   72   1HD1  ILE   8          1HD1      ILE   8  -9.405  -4.659  -4.331
   73   2HD1  ILE   8          2HD1      ILE   8  -9.146  -5.260  -2.694
   74   3HD1  ILE   8          3HD1      ILE   8 -10.093  -6.207  -3.840
   75    H    ARG   9           H        ARG   9  -5.274  -7.335  -0.998
   76    HA   ARG   9           HA       ARG   9  -3.190  -5.392  -0.582
   77   1HB   ARG   9          2HB       ARG   9  -4.614  -7.420   1.012
   78   2HB   ARG   9          1HB       ARG   9  -2.927  -7.219   1.492
   79   1HG   ARG   9          2HG       ARG   9  -4.357  -5.648   2.734
   80   2HG   ARG   9          1HG       ARG   9  -3.275  -4.760   1.662
   81   1HD   ARG   9          2HD       ARG   9  -4.993  -4.194   0.185
   82   2HD   ARG   9          1HD       ARG   9  -5.986  -5.567   0.671
   83    HE   ARG   9           HE       ARG   9  -6.071  -2.950   1.872
   84   1HH1  ARG   9          1HH2      ARG   9  -6.163  -6.330   2.539
   85   2HH1  ARG   9          2HH2      ARG   9  -6.930  -6.143   4.084
   86   1HH2  ARG   9          1HH1      ARG   9  -7.221  -2.698   3.819
   87   2HH2  ARG   9          2HH1      ARG   9  -7.504  -4.084   4.821
   88    H    LYS  10           H        LYS  10  -3.188  -8.661  -1.753
   89    HA   LYS  10           HA       LYS  10  -0.430  -9.286  -1.120
   90   1HB   LYS  10          2HB       LYS  10  -2.421 -10.400  -3.119
   91   2HB   LYS  10          1HB       LYS  10  -0.772 -11.014  -3.001
   92   1HG   LYS  10          2HG       LYS  10  -1.185 -11.433  -0.544
   93   2HG   LYS  10          1HG       LYS  10  -2.875 -11.004  -0.814
   94   1HD   LYS  10          2HD       LYS  10  -3.006 -12.800  -2.553
   95   2HD   LYS  10          1HD       LYS  10  -1.360 -13.279  -2.131
   96   1HE   LYS  10          2HE       LYS  10  -3.610 -13.148  -0.107
   97   2HE   LYS  10          1HE       LYS  10  -3.187 -14.619  -0.985
   98   1HZ   LYS  10          1HZ       LYS  10  -0.827 -14.116  -0.140
   99   2HZ   LYS  10          2HZ       LYS  10  -1.953 -14.788   0.940
  100   3HZ   LYS  10          3HZ       LYS  10  -1.599 -13.126   1.001
  101    H    LYS  11           H        LYS  11  -2.118  -7.793  -3.863
  102    HA   LYS  11           HA       LYS  11   0.163  -7.632  -5.608
  103   1HB   LYS  11          2HB       LYS  11  -2.064  -5.585  -5.565
  104   2HB   LYS  11          1HB       LYS  11  -1.154  -6.180  -6.951
  105   1HG   LYS  11          2HG       LYS  11  -2.277  -8.495  -5.967
  106   2HG   LYS  11          1HG       LYS  11  -3.542  -7.307  -5.654
  107   1HD   LYS  11          2HD       LYS  11  -2.238  -7.943  -8.315
  108   2HD   LYS  11          1HD       LYS  11  -3.929  -8.172  -7.870
  109   1HE   LYS  11          2HE       LYS  11  -3.584  -5.503  -7.344
  110   2HE   LYS  11          1HE       LYS  11  -2.531  -5.727  -8.741
  111   1HZ   LYS  11          1HZ       LYS  11  -4.350  -6.694  -9.956
  112   2HZ   LYS  11          2HZ       LYS  11  -4.827  -5.177  -9.359
  113   3HZ   LYS  11          3HZ       LYS  11  -5.367  -6.599  -8.603
  114    H    ILE  12           H        ILE  12  -1.173  -5.503  -3.106
  115    HA   ILE  12           HA       ILE  12   0.557  -3.273  -3.523
  116    HB   ILE  12           HB       ILE  12  -0.510  -4.242  -0.854
  117   1HG1  ILE  12          2HG1      ILE  12  -2.392  -4.184  -2.359
  118   2HG1  ILE  12          1HG1      ILE  12  -2.460  -2.712  -1.391
  119   1HG2  ILE  12          1HG2      ILE  12  -0.038  -1.422  -1.844
  120   2HG2  ILE  12          2HG2      ILE  12   1.178  -2.340  -0.955
  121   3HG2  ILE  12          3HG2      ILE  12  -0.361  -1.942  -0.191
  122   1HD1  ILE  12          1HD1      ILE  12  -2.812  -1.920  -3.574
  123   2HD1  ILE  12          2HD1      ILE  12  -1.643  -3.041  -4.270
  124   3HD1  ILE  12          3HD1      ILE  12  -1.085  -1.653  -3.334
  125    H    ASP  13           H        ASP  13   0.948  -6.310  -1.789
  126    HA   ASP  13           HA       ASP  13   3.342  -5.703  -0.368
  127   1HB   ASP  13          2HB       ASP  13   2.255  -8.302  -1.492
  128   2HB   ASP  13          1HB       ASP  13   3.698  -8.225  -0.483
  129    H    GLU  14           H        GLU  14   2.800  -6.956  -3.655
  130    HA   GLU  14           HA       GLU  14   5.561  -7.290  -4.341
  131   1HB   GLU  14          2HB       GLU  14   3.131  -6.697  -6.053
  132   2HB   GLU  14          1HB       GLU  14   4.718  -7.085  -6.712
  133   1HG   GLU  14          2HG       GLU  14   4.686  -9.257  -5.563
  134   2HG   GLU  14          1HG       GLU  14   3.121  -8.868  -4.847
  135    H    ILE  15           H        ILE  15   3.397  -4.515  -4.319
  136    HA   ILE  15           HA       ILE  15   5.300  -2.767  -5.703
  137    HB   ILE  15           HB       ILE  15   2.657  -2.340  -4.305
  138   1HG1  ILE  15          2HG1      ILE  15   2.270  -1.279  -6.666
  139   2HG1  ILE  15          1HG1      ILE  15   3.718  -2.179  -7.120
  140   1HG2  ILE  15          1HG2      ILE  15   3.780  -0.379  -3.649
  141   2HG2  ILE  15          2HG2      ILE  15   2.994   0.094  -5.155
  142   3HG2  ILE  15          3HG2      ILE  15   4.712  -0.303  -5.144
  143   1HD1  ILE  15          1HD1      ILE  15   1.252  -3.397  -5.834
  144   2HD1  ILE  15          2HD1      ILE  15   2.685  -4.274  -6.374
  145   3HD1  ILE  15          3HD1      ILE  15   1.640  -3.480  -7.553
  146    H    ASP  16           H        ASP  16   4.499  -3.634  -2.411
  147    HA   ASP  16           HA       ASP  16   5.680  -1.443  -1.036
  148   1HB   ASP  16          2HB       ASP  16   5.315  -4.360  -0.299
  149   2HB   ASP  16          1HB       ASP  16   5.971  -3.175   0.830
  150    H    ASN  17           H        ASN  17   7.111  -4.599  -1.930
  151    HA   ASN  17           HA       ASN  17   9.745  -4.018  -1.026
  152   1HB   ASN  17          2HB       ASN  17   8.742  -5.829  -3.243
  153   2HB   ASN  17          1HB       ASN  17  10.421  -5.777  -2.713
  154   1HD2  ASN  17          1HD2      ASN  17   8.797  -8.145  -2.435
  155   2HD2  ASN  17          2HD2      ASN  17   8.581  -8.438  -0.770
  156    H    LYS  18           H        LYS  18   8.110  -3.344  -4.085
  157    HA   LYS  18           HA       LYS  18  10.374  -2.555  -5.617
  158   1HB   LYS  18          2HB       LYS  18   8.063  -2.962  -6.505
  159   2HB   LYS  18          1HB       LYS  18   7.564  -1.429  -5.794
  160   1HG   LYS  18          2HG       LYS  18   9.217  -0.234  -7.175
  161   2HG   LYS  18          1HG       LYS  18   9.751  -1.764  -7.872
  162   1HD   LYS  18          2HD       LYS  18   7.443  -2.147  -8.732
  163   2HD   LYS  18          1HD       LYS  18   6.968  -0.572  -8.098
  164   1HE   LYS  18          2HE       LYS  18   8.577   0.545  -9.557
  165   2HE   LYS  18          1HE       LYS  18   9.174  -1.011 -10.135
  166   1HZ   LYS  18          1HZ       LYS  18   6.357  -0.862 -10.407
  167   2HZ   LYS  18          2HZ       LYS  18   7.538  -1.113 -11.604
  168   3HZ   LYS  18          3HZ       LYS  18   7.084   0.466 -11.173
  169    H    ILE  19           H        ILE  19   8.217  -0.582  -3.543
  170    HA   ILE  19           HA       ILE  19   9.660   1.874  -4.081
  171    HB   ILE  19           HB       ILE  19   7.350   1.970  -3.352
  172   1HG1  ILE  19          2HG1      ILE  19   9.350   3.557  -2.404
  173   2HG1  ILE  19          1HG1      ILE  19   7.642   3.840  -2.075
  174   1HG2  ILE  19          1HG2      ILE  19   6.842   1.329  -0.940
  175   2HG2  ILE  19          2HG2      ILE  19   8.399   0.501  -0.926
  176   3HG2  ILE  19          3HG2      ILE  19   7.133  -0.018  -2.041
  177   1HD1  ILE  19          1HD1      ILE  19   7.770   2.786   0.057
  178   2HD1  ILE  19          2HD1      ILE  19   9.189   3.828  -0.037
  179   3HD1  ILE  19          3HD1      ILE  19   9.351   2.092  -0.300
  180    H    LEU  20           H        LEU  20  10.090  -0.757  -1.821
  181    HA   LEU  20           HA       LEU  20  11.897   0.785  -0.086
  182   1HB   LEU  20          2HB       LEU  20  11.098  -2.131  -0.225
  183   2HB   LEU  20          1HB       LEU  20  12.366  -1.564   0.860
  184    HG   LEU  20           HG       LEU  20   9.527  -0.489   0.825
  185   1HD1  LEU  20          1HD1      LEU  20   9.102  -1.834   2.743
  186   2HD1  LEU  20          2HD1      LEU  20  10.807  -2.242   2.929
  187   3HD1  LEU  20          3HD1      LEU  20   9.880  -2.918   1.589
  188   1HD2  LEU  20          1HD2      LEU  20  10.521   0.174   3.234
  189   2HD2  LEU  20          2HD2      LEU  20  10.707   1.225   1.830
  190   3HD2  LEU  20          3HD2      LEU  20  12.029   0.166   2.320
  191    H    LYS  21           H        LYS  21  12.126  -0.681  -3.112
  192    HA   LYS  21           HA       LYS  21  13.954  -1.266  -4.466
  193   1HB   LYS  21          2HB       LYS  21  15.509   0.377  -2.447
  194   2HB   LYS  21          1HB       LYS  21  16.014  -0.011  -4.089
  195   1HG   LYS  21          2HG       LYS  21  14.231   1.315  -5.030
  196   2HG   LYS  21          1HG       LYS  21  13.483   1.528  -3.448
  197   1HD   LYS  21          2HD       LYS  21  14.644   3.557  -3.819
  198   2HD   LYS  21          1HD       LYS  21  15.701   2.640  -2.748
  199   1HE   LYS  21          2HE       LYS  21  17.101   1.960  -4.600
  200   2HE   LYS  21          1HE       LYS  21  15.967   2.638  -5.767
  201   1HZ   LYS  21          1HZ       LYS  21  18.108   3.920  -4.667
  202   2HZ   LYS  21          2HZ       LYS  21  16.783   4.553  -3.812
  203   3HZ   LYS  21          3HZ       LYS  21  16.830   4.652  -5.507
  204    H    ALA  22           H        ALA  22  13.688  -3.512  -3.647
  205    HA   ALA  22           HA       ALA  22  15.554  -4.340  -1.517
  206   1HB   ALA  22          1HB       ALA  22  14.505  -6.551  -1.764
  207   2HB   ALA  22          2HB       ALA  22  13.622  -5.984  -3.182
  208   3HB   ALA  22          3HB       ALA  22  13.274  -5.299  -1.593
  209    H    ARG  23           H        ARG  23  14.877  -6.036  -4.572
  210    HA   ARG  23           HA       ARG  23  17.758  -6.640  -4.809
  211   1HB   ARG  23          2HB       ARG  23  15.329  -7.555  -6.385
  212   2HB   ARG  23          1HB       ARG  23  16.978  -8.054  -6.757
  213   1HG   ARG  23          2HG       ARG  23  17.206  -8.998  -4.475
  214   2HG   ARG  23          1HG       ARG  23  15.554  -8.500  -4.111
  215   1HD   ARG  23          2HD       ARG  23  16.319 -10.426  -6.339
  216   2HD   ARG  23          1HD       ARG  23  15.706 -10.925  -4.758
  217    HE   ARG  23           HE       ARG  23  14.088  -9.969  -6.941
  218   1HH1  ARG  23          1HH2      ARG  23  14.489  -9.875  -3.518
  219   2HH1  ARG  23          2HH2      ARG  23  12.826  -9.509  -3.202
  220   1HH2  ARG  23          1HH1      ARG  23  11.905  -9.459  -6.535
  221   2HH2  ARG  23          2HH1      ARG  23  11.370  -9.274  -4.896
  222    H    TRP  24           H        TRP  24  15.291  -4.708  -6.431
  223    HA   TRP  24           HA       TRP  24  17.033  -4.058  -8.695
  224   1HB   TRP  24          2HB       TRP  24  14.440  -2.744  -7.828
  225   2HB   TRP  24          1HB       TRP  24  15.228  -2.570  -9.393
  226    HD1  TRP  24           HD       TRP  24  15.775  -5.268 -10.468
  227    HE1  TRP  24           1HE      TRP  24  13.988  -7.102 -10.780
  228    HE3  TRP  24           3HE      TRP  24  12.212  -3.584  -7.226
  229    HZ2  TRP  24           2HZ      TRP  24  11.387  -7.767  -9.780
  230    HZ3  TRP  24           3HZ      TRP  24  10.093  -4.832  -6.922
  231    HH2  TRP  24           HH       TRP  24   9.676  -6.919  -8.193
  232    HA   PRO  25           HA       PRO  25  19.351  -1.048  -6.284
  233   1HB   PRO  25          2HB       PRO  25  20.060  -0.241  -9.087
  234   2HB   PRO  25          1HB       PRO  25  21.121  -0.489  -7.684
  235   1HG   PRO  25          2HG       PRO  25  20.998  -2.313  -9.570
  236   2HG   PRO  25          1HG       PRO  25  21.031  -2.802  -7.865
  237   1HD   PRO  25          2HD       PRO  25  18.703  -2.751  -9.764
  238   2HD   PRO  25          1HD       PRO  25  19.094  -3.930  -8.492
  239    H    TRP  26           H        TRP  26  17.559  -0.096  -9.227
  240    HA   TRP  26           HA       TRP  26  16.907   2.486  -7.861
  241   1HB   TRP  26          2HB       TRP  26  18.261   2.739  -9.940
  242   2HB   TRP  26          1HB       TRP  26  16.986   1.918 -10.840
  243    HD1  TRP  26           HD       TRP  26  17.517   5.077  -8.692
  244    HE1  TRP  26           1HE      TRP  26  15.828   6.866  -9.463
  245    HE3  TRP  26           3HE      TRP  26  14.871   2.370 -12.115
  246    HZ2  TRP  26           2HZ      TRP  26  13.639   7.113 -11.293
  247    HZ3  TRP  26           3HZ      TRP  26  12.993   3.401 -13.357
  248    HH2  TRP  26           HH       TRP  26  12.373   5.768 -12.951
  249    H    ALA  27           H        ALA  27  14.707   3.295  -8.241
  250    HA   ALA  27           HA       ALA  27  12.763   1.432  -9.428
  251   1HB   ALA  27          1HB       ALA  27  11.443   1.174  -7.391
  252   2HB   ALA  27          2HB       ALA  27  12.582   2.178  -6.492
  253   3HB   ALA  27          3HB       ALA  27  13.084   0.597  -7.093
  254    H    GLU  28           H        GLU  28  10.709   2.445  -9.780
  255    HA   GLU  28           HA       GLU  28  10.810   5.422  -9.547
  256   1HB   GLU  28          2HB       GLU  28   9.124   5.404 -11.380
  257   2HB   GLU  28          1HB       GLU  28  10.623   4.605 -11.853
  258   1HG   GLU  28          2HG       GLU  28   9.615   2.409 -11.317
  259   2HG   GLU  28          1HG       GLU  28   8.110   3.215 -10.877
  260    H    LYS  29           H        LYS  29   8.804   6.503  -8.950
  261    HA   LYS  29           HA       LYS  29   7.331   5.003  -6.896
  262   1HB   LYS  29          2HB       LYS  29   7.141   7.890  -7.817
  263   2HB   LYS  29          1HB       LYS  29   6.234   7.211  -6.467
  264   1HG   LYS  29          2HG       LYS  29   8.326   6.648  -5.314
  265   2HG   LYS  29          1HG       LYS  29   9.259   7.272  -6.674
  266   1HD   LYS  29          2HD       LYS  29   8.243   9.510  -6.320
  267   2HD   LYS  29          1HD       LYS  29   7.368   8.875  -4.927
  268   1HE   LYS  29          2HE       LYS  29  10.383   8.762  -5.166
  269   2HE   LYS  29          1HE       LYS  29   9.531  10.089  -4.376
  270   1HZ   LYS  29          1HZ       LYS  29   8.975   7.301  -3.615
  271   2HZ   LYS  29          2HZ       LYS  29   8.768   8.720  -2.705
  272   3HZ   LYS  29          3HZ       LYS  29  10.327   8.101  -2.977
  273    H    LEU  30           H        LEU  30   5.272   4.207  -7.139
  274    HA   LEU  30           HA       LEU  30   3.845   4.922  -9.667
  275   1HB   LEU  30          2HB       LEU  30   2.800   2.484  -9.082
  276   2HB   LEU  30          1HB       LEU  30   4.190   2.711 -10.142
  277    HG   LEU  30           HG       LEU  30   4.652   2.471  -7.186
  278   1HD1  LEU  30          1HD1      LEU  30   4.210   0.149  -9.090
  279   2HD1  LEU  30          2HD1      LEU  30   3.158   0.585  -7.743
  280   3HD1  LEU  30          3HD1      LEU  30   4.798   0.015  -7.433
  281   1HD2  LEU  30          1HD2      LEU  30   6.253   1.251  -9.425
  282   2HD2  LEU  30          2HD2      LEU  30   6.807   1.817  -7.849
  283   3HD2  LEU  30          3HD2      LEU  30   6.374   2.980  -9.103
  284    H    ILE  31           H        ILE  31   2.801   6.622  -8.367
  285    HA   ILE  31           HA       ILE  31   1.240   6.025  -6.028
  286    HB   ILE  31           HB       ILE  31   0.735   8.233  -8.048
  287   1HG1  ILE  31          2HG1      ILE  31   3.081   8.302  -7.394
  288   2HG1  ILE  31          1HG1      ILE  31   2.222   9.586  -6.543
  289   1HG2  ILE  31          1HG2      ILE  31  -1.028   7.868  -6.339
  290   2HG2  ILE  31          2HG2      ILE  31  -0.199   9.405  -6.099
  291   3HG2  ILE  31          3HG2      ILE  31   0.186   8.025  -5.070
  292   1HD1  ILE  31          1HD1      ILE  31   1.924   7.787  -4.664
  293   2HD1  ILE  31          2HD1      ILE  31   3.472   8.614  -4.818
  294   3HD1  ILE  31          3HD1      ILE  31   3.276   6.985  -5.463
  295    H    ALA  32           H        ALA  32   0.432   6.160  -9.493
  296    HA   ALA  32           HA       ALA  32  -2.347   5.852  -9.377
  297   1HB   ALA  32          1HB       ALA  32  -0.866   6.078 -11.447
  298   2HB   ALA  32          2HB       ALA  32  -2.224   4.963 -11.592
  299   3HB   ALA  32          3HB       ALA  32  -0.596   4.338 -11.327
  300    H    GLU  33           H        GLU  33   0.077   3.207  -9.442
  301    HA   GLU  33           HA       GLU  33  -1.629   1.009  -9.277
  302   1HB   GLU  33          2HB       GLU  33   1.015   1.457  -7.858
  303   2HB   GLU  33          1HB       GLU  33   0.220  -0.111  -7.987
  304   1HG   GLU  33          2HG       GLU  33   1.003   1.600 -10.364
  305   2HG   GLU  33          1HG       GLU  33   1.970   0.261  -9.744
  306    H    ARG  34           H        ARG  34  -0.263   2.771  -6.461
  307    HA   ARG  34           HA       ARG  34  -1.796   1.414  -4.486
  308   1HB   ARG  34          2HB       ARG  34   0.112   2.861  -3.907
  309   2HB   ARG  34          1HB       ARG  34  -0.765   4.271  -4.485
  310   1HG   ARG  34          2HG       ARG  34  -0.959   4.211  -2.061
  311   2HG   ARG  34          1HG       ARG  34  -2.529   3.804  -2.756
  312   1HD   ARG  34          2HD       ARG  34  -0.816   1.497  -2.404
  313   2HD   ARG  34          1HD       ARG  34  -1.131   2.308  -0.899
  314    HE   ARG  34           HE       ARG  34  -3.644   1.948  -2.271
  315   1HH1  ARG  34          1HH2      ARG  34  -1.011   0.218  -0.909
  316   2HH1  ARG  34          2HH2      ARG  34  -1.973  -1.141  -0.434
  317   1HH2  ARG  34          1HH1      ARG  34  -4.945   0.169  -1.667
  318   2HH2  ARG  34          2HH1      ARG  34  -4.187  -1.166  -0.856
  319    H    ASN  35           H        ASN  35  -2.483   4.413  -6.284
  320    HA   ASN  35           HA       ASN  35  -4.971   4.980  -5.032
  321   1HB   ASN  35          2HB       ASN  35  -3.867   6.634  -6.474
  322   2HB   ASN  35          1HB       ASN  35  -4.047   5.558  -7.866
  323   1HD2  ASN  35          1HD2      ASN  35  -5.191   8.118  -7.984
  324   2HD2  ASN  35          2HD2      ASN  35  -6.887   7.987  -7.918
  325    H    SER  36           H        SER  36  -4.175   2.959  -7.856
  326    HA   SER  36           HA       SER  36  -6.740   2.330  -8.790
  327   1HB   SER  36          2HB       SER  36  -4.629   1.498  -9.803
  328   2HB   SER  36          1HB       SER  36  -4.420   0.401  -8.442
  329    HG   SER  36           HG       SER  36  -6.425   0.421 -10.436
  330    H    LEU  37           H        LEU  37  -5.144  -0.255  -7.003
  331    HA   LEU  37           HA       LEU  37  -7.291  -1.611  -6.020
  332   1HB   LEU  37          2HB       LEU  37  -4.818  -0.868  -4.436
  333   2HB   LEU  37          1HB       LEU  37  -5.977  -2.087  -3.925
  334    HG   LEU  37           HG       LEU  37  -4.117  -3.193  -5.006
  335   1HD1  LEU  37          1HD1      LEU  37  -6.670  -3.696  -5.621
  336   2HD1  LEU  37          2HD1      LEU  37  -5.339  -4.598  -6.348
  337   3HD1  LEU  37          3HD1      LEU  37  -6.093  -3.271  -7.233
  338   1HD2  LEU  37          1HD2      LEU  37  -3.624  -1.009  -6.375
  339   2HD2  LEU  37          2HD2      LEU  37  -4.658  -1.764  -7.589
  340   3HD2  LEU  37          3HD2      LEU  37  -3.190  -2.579  -7.049
  341    H    ALA  38           H        ALA  38  -6.187   1.530  -4.897
  342    HA   ALA  38           HA       ALA  38  -7.503   1.755  -2.430
  343   1HB   ALA  38          1HB       ALA  38  -6.027   3.445  -3.908
  344   2HB   ALA  38          2HB       ALA  38  -7.032   3.990  -2.563
  345   3HB   ALA  38          3HB       ALA  38  -7.624   4.124  -4.219
  346    H    LYS  39           H        LYS  39  -8.830   2.740  -5.609
  347    HA   LYS  39           HA       LYS  39 -11.451   3.294  -4.500
  348   1HB   LYS  39          2HB       LYS  39 -12.126   3.565  -6.854
  349   2HB   LYS  39          1HB       LYS  39 -10.603   4.395  -6.544
  350   1HG   LYS  39          2HG       LYS  39  -9.864   3.264  -8.370
  351   2HG   LYS  39          1HG       LYS  39  -9.712   1.909  -7.253
  352   1HD   LYS  39          2HD       LYS  39 -10.998   0.961  -8.950
  353   2HD   LYS  39          1HD       LYS  39 -12.245   1.511  -7.831
  354   1HE   LYS  39          2HE       LYS  39 -13.067   2.431  -9.782
  355   2HE   LYS  39          1HE       LYS  39 -12.022   3.754  -9.265
  356   1HZ   LYS  39          1HZ       LYS  39 -11.832   2.847 -11.659
  357   2HZ   LYS  39          2HZ       LYS  39 -10.936   1.594 -10.944
  358   3HZ   LYS  39          3HZ       LYS  39 -10.417   3.205 -10.798
  359    H    ASP  40           H        ASP  40 -10.071   0.569  -6.335
  360    HA   ASP  40           HA       ASP  40 -12.463  -0.929  -6.643
  361   1HB   ASP  40          2HB       ASP  40  -9.540  -1.619  -6.517
  362   2HB   ASP  40          1HB       ASP  40 -10.732  -2.919  -6.529
  363    H    VAL  41           H        VAL  41 -10.116  -0.837  -3.965
  364    HA   VAL  41           HA       VAL  41 -11.371  -2.887  -2.397
  365    HB   VAL  41           HB       VAL  41  -9.690  -0.514  -1.530
  366   1HG1  VAL  41          1HG1      VAL  41 -10.237  -1.165   0.559
  367   2HG1  VAL  41          2HG1      VAL  41  -9.343  -2.650   0.240
  368   3HG1  VAL  41          3HG1      VAL  41 -11.083  -2.591  -0.041
  369   1HG2  VAL  41          1HG2      VAL  41  -8.650  -3.305  -1.608
  370   2HG2  VAL  41          2HG2      VAL  41  -7.819  -1.788  -1.952
  371   3HG2  VAL  41          3HG2      VAL  41  -8.882  -2.504  -3.163
  372    H    ALA  42           H        ALA  42 -11.700   0.653  -2.452
  373    HA   ALA  42           HA       ALA  42 -13.422   1.052  -0.296
  374   1HB   ALA  42          1HB       ALA  42 -12.529   2.611  -2.365
  375   2HB   ALA  42          2HB       ALA  42 -13.744   3.123  -1.194
  376   3HB   ALA  42          3HB       ALA  42 -14.244   2.472  -2.755
  377    H    GLU  43           H        GLU  43 -14.284   0.028  -3.598
  378    HA   GLU  43           HA       GLU  43 -17.086  -0.137  -3.295
  379   1HB   GLU  43          2HB       GLU  43 -15.810  -0.498  -5.433
  380   2HB   GLU  43          1HB       GLU  43 -15.331  -2.083  -4.828
  381   1HG   GLU  43          2HG       GLU  43 -17.264  -2.409  -6.231
  382   2HG   GLU  43          1HG       GLU  43 -17.785  -2.621  -4.561
  383    H    ILE  44           H        ILE  44 -14.790  -2.873  -2.996
  384    HA   ILE  44           HA       ILE  44 -16.542  -4.756  -1.893
  385    HB   ILE  44           HB       ILE  44 -13.674  -4.377  -1.014
  386   1HG1  ILE  44          2HG1      ILE  44 -13.661  -4.338  -3.427
  387   2HG1  ILE  44          1HG1      ILE  44 -13.153  -5.948  -2.921
  388   1HG2  ILE  44          1HG2      ILE  44 -15.426  -6.837  -1.261
  389   2HG2  ILE  44          2HG2      ILE  44 -14.967  -6.050   0.250
  390   3HG2  ILE  44          3HG2      ILE  44 -13.739  -6.828  -0.750
  391   1HD1  ILE  44          1HD1      ILE  44 -14.725  -6.378  -4.620
  392   2HD1  ILE  44          2HD1      ILE  44 -15.800  -5.091  -4.076
  393   3HD1  ILE  44          3HD1      ILE  44 -15.660  -6.579  -3.139
  394    H    LYS  45           H        LYS  45 -14.833  -2.106  -0.277
  395    HA   LYS  45           HA       LYS  45 -15.339  -2.867   2.420
  396   1HB   LYS  45          2HB       LYS  45 -15.079  -0.108   1.172
  397   2HB   LYS  45          1HB       LYS  45 -15.118  -0.403   2.909
  398   1HG   LYS  45          2HG       LYS  45 -13.146  -1.882   1.183
  399   2HG   LYS  45          1HG       LYS  45 -12.796  -0.234   1.707
  400   1HD   LYS  45          2HD       LYS  45 -13.408  -1.083   4.084
  401   2HD   LYS  45          1HD       LYS  45 -13.200  -2.697   3.405
  402   1HE   LYS  45          2HE       LYS  45 -11.089  -2.002   4.387
  403   2HE   LYS  45          1HE       LYS  45 -10.909  -2.014   2.633
  404   1HZ   LYS  45          1HZ       LYS  45 -10.569   0.172   2.594
  405   2HZ   LYS  45          2HZ       LYS  45 -10.347   0.077   4.276
  406   3HZ   LYS  45          3HZ       LYS  45 -11.866   0.493   3.639
  407    H    ASN  46           H        ASN  46 -17.251  -0.851   0.189
  408    HA   ASN  46           HA       ASN  46 -19.374  -0.231   1.982
  409   1HB   ASN  46          2HB       ASN  46 -19.062   0.886  -0.197
  410   2HB   ASN  46          1HB       ASN  46 -19.443  -0.622  -1.027
  411   1HD2  ASN  46          1HD2      ASN  46 -21.499  -0.340  -1.906
  412   2HD2  ASN  46          2HD2      ASN  46 -22.843   0.251  -1.054
  413    H    GLN  47           H        GLN  47 -18.789  -3.014  -0.125
  414    HA   GLN  47           HA       GLN  47 -21.377  -4.229   0.462
  415   1HB   GLN  47          2HB       GLN  47 -20.837  -5.634  -1.230
  416   2HB   GLN  47          1HB       GLN  47 -19.434  -4.601  -1.491
  417   1HG   GLN  47          2HG       GLN  47 -18.192  -6.004   0.201
  418   2HG   GLN  47          1HG       GLN  47 -19.564  -7.111   0.193
  419   1HE2  GLN  47          1HE2      GLN  47 -19.277  -5.731  -2.881
  420   2HE2  GLN  47          2HE2      GLN  47 -18.390  -6.967  -3.633
  421    H    LEU  48           H        LEU  48 -18.468  -3.908   2.152
  422    HA   LEU  48           HA       LEU  48 -18.810  -6.440   3.666
  423   1HB   LEU  48          2HB       LEU  48 -16.692  -4.271   3.692
  424   2HB   LEU  48          1HB       LEU  48 -16.763  -5.520   4.932
  425    HG   LEU  48           HG       LEU  48 -16.685  -6.179   1.979
  426   1HD1  LEU  48          1HD1      LEU  48 -14.453  -5.645   3.940
  427   2HD1  LEU  48          2HD1      LEU  48 -14.641  -5.029   2.300
  428   3HD1  LEU  48          3HD1      LEU  48 -14.216  -6.720   2.563
  429   1HD2  LEU  48          1HD2      LEU  48 -15.627  -8.300   3.091
  430   2HD2  LEU  48          2HD2      LEU  48 -17.375  -8.083   3.181
  431   3HD2  LEU  48          3HD2      LEU  48 -16.365  -7.689   4.573
  432    H    GLY  49           H        GLY  49 -19.956  -3.296   3.709
  433   1HA   GLY  49          2HA       GLY  49 -21.192  -2.089   5.288
  434   2HA   GLY  49          1HA       GLY  49 -21.374  -3.608   6.159
  435    H    ILE  50           H        ILE  50 -18.499  -1.554   5.462
  436    HA   ILE  50           HA       ILE  50 -18.239  -1.028   8.360
  437    HB   ILE  50           HB       ILE  50 -15.693  -1.686   8.022
  438   1HG1  ILE  50          2HG1      ILE  50 -15.516  -3.753   6.647
  439   2HG1  ILE  50          1HG1      ILE  50 -17.165  -3.495   6.079
  440   1HG2  ILE  50          1HG2      ILE  50 -17.892  -3.722   8.483
  441   2HG2  ILE  50          2HG2      ILE  50 -17.249  -2.618   9.700
  442   3HG2  ILE  50          3HG2      ILE  50 -16.216  -3.874   9.015
  443   1HD1  ILE  50          1HD1      ILE  50 -15.180  -1.266   5.800
  444   2HD1  ILE  50          2HD1      ILE  50 -16.577  -1.646   4.794
  445   3HD1  ILE  50          3HD1      ILE  50 -15.107  -2.612   4.663
  446    HA   PRO  51           HA       PRO  51 -16.739   2.897   7.184
  447   1HB   PRO  51          2HB       PRO  51 -14.493   3.175   8.792
  448   2HB   PRO  51          1HB       PRO  51 -16.165   3.416   9.338
  449   1HG   PRO  51          2HG       PRO  51 -14.449   0.971   9.545
  450   2HG   PRO  51          1HG       PRO  51 -15.460   1.744  10.784
  451   1HD   PRO  51          2HD       PRO  51 -16.395  -0.403   9.564
  452   2HD   PRO  51          1HD       PRO  51 -17.479   0.987   9.778
  453    H    ILE  52           H        ILE  52 -15.362   3.846   5.695
  454    HA   ILE  52           HA       ILE  52 -13.699   2.184   4.066
  455    HB   ILE  52           HB       ILE  52 -13.665   5.212   4.308
  456   1HG1  ILE  52          2HG1      ILE  52 -15.278   3.487   2.409
  457   2HG1  ILE  52          1HG1      ILE  52 -15.934   4.153   3.903
  458   1HG2  ILE  52          1HG2      ILE  52 -13.056   4.902   1.807
  459   2HG2  ILE  52          2HG2      ILE  52 -12.664   3.241   2.252
  460   3HG2  ILE  52          3HG2      ILE  52 -11.799   4.582   3.002
  461   1HD1  ILE  52          1HD1      ILE  52 -15.607   6.404   3.149
  462   2HD1  ILE  52          2HD1      ILE  52 -16.361   5.540   1.809
  463   3HD1  ILE  52          3HD1      ILE  52 -14.630   5.871   1.782
  464    H    ASN  53           H        ASN  53 -12.925   4.561   6.607
  465    HA   ASN  53           HA       ASN  53 -10.080   4.269   6.343
  466   1HB   ASN  53          2HB       ASN  53 -11.431   6.129   7.584
  467   2HB   ASN  53          1HB       ASN  53 -11.430   4.999   8.939
  468   1HD2  ASN  53          1HD2      ASN  53  -9.052   3.935   9.222
  469   2HD2  ASN  53          2HD2      ASN  53  -7.774   5.060   9.206
  470    H    ASP  54           H        ASP  54  -8.636   3.119   7.769
  471    HA   ASP  54           HA       ASP  54  -9.643   1.206   9.693
  472   1HB   ASP  54          2HB       ASP  54  -9.062   0.354   6.885
  473   2HB   ASP  54          1HB       ASP  54  -8.645  -0.735   8.207
  474    HA   PRO  55           HA       PRO  55  -5.243   2.655  10.218
  475   1HB   PRO  55          2HB       PRO  55  -5.447   2.266  12.976
  476   2HB   PRO  55          1HB       PRO  55  -5.781   3.799  12.147
  477   1HG   PRO  55          2HG       PRO  55  -7.686   1.675  13.036
  478   2HG   PRO  55          1HG       PRO  55  -7.824   3.438  13.157
  479   1HD   PRO  55          2HD       PRO  55  -9.186   2.162  11.273
  480   2HD   PRO  55          1HD       PRO  55  -8.361   3.687  10.874
  481    H    GLU  56           H        GLU  56  -6.611   0.193  12.422
  482    HA   GLU  56           HA       GLU  56  -4.707  -1.556  12.977
  483   1HB   GLU  56          2HB       GLU  56  -7.228  -2.306  11.469
  484   2HB   GLU  56          1HB       GLU  56  -6.186  -3.478  12.275
  485   1HG   GLU  56          2HG       GLU  56  -6.538  -2.352  14.427
  486   2HG   GLU  56          1HG       GLU  56  -7.528  -1.122  13.641
  487    H    ARG  57           H        ARG  57  -6.141  -1.731   9.705
  488    HA   ARG  57           HA       ARG  57  -4.202  -3.371   8.500
  489   1HB   ARG  57          2HB       ARG  57  -6.194  -1.389   7.581
  490   2HB   ARG  57          1HB       ARG  57  -4.843  -1.626   6.477
  491   1HG   ARG  57          2HG       ARG  57  -6.186  -4.041   7.621
  492   2HG   ARG  57          1HG       ARG  57  -6.979  -3.174   6.308
  493   1HD   ARG  57          2HD       ARG  57  -4.164  -4.284   6.260
  494   2HD   ARG  57          1HD       ARG  57  -5.567  -4.961   5.431
  495    HE   ARG  57           HE       ARG  57  -5.549  -2.460   4.387
  496   1HH1  ARG  57          1HH2      ARG  57  -3.059  -4.791   4.956
  497   2HH1  ARG  57          2HH2      ARG  57  -2.181  -4.405   3.501
  498   1HH2  ARG  57          1HH1      ARG  57  -4.395  -1.938   2.499
  499   2HH2  ARG  57          2HH1      ARG  57  -2.948  -2.811   2.113
  500    H    GLU  58           H        GLU  58  -4.240   0.197   8.712
  501    HA   GLU  58           HA       GLU  58  -1.742   0.638   7.416
  502   1HB   GLU  58          2HB       GLU  58  -3.246   2.210   9.528
  503   2HB   GLU  58          1HB       GLU  58  -1.747   2.791   8.803
  504   1HG   GLU  58          2HG       GLU  58  -3.462   3.760   7.475
  505   2HG   GLU  58          1HG       GLU  58  -2.891   2.385   6.529
  506    H    LYS  59           H        LYS  59  -2.549  -0.015  10.824
  507    HA   LYS  59           HA       LYS  59   0.109   0.311  11.861
  508   1HB   LYS  59          2HB       LYS  59  -2.192  -1.425  12.831
  509   2HB   LYS  59          1HB       LYS  59  -0.726  -1.107  13.758
  510   1HG   LYS  59          2HG       LYS  59  -2.337   1.199  12.691
  511   2HG   LYS  59          1HG       LYS  59  -2.855   0.380  14.163
  512   1HD   LYS  59          2HD       LYS  59  -0.009   1.318  13.833
  513   2HD   LYS  59          1HD       LYS  59  -1.266   2.410  14.412
  514   1HE   LYS  59          2HE       LYS  59  -1.825   0.483  16.086
  515   2HE   LYS  59          1HE       LYS  59  -0.202  -0.090  15.706
  516   1HZ   LYS  59          1HZ       LYS  59   0.438   2.359  16.166
  517   2HZ   LYS  59          2HZ       LYS  59   0.180   1.303  17.471
  518   3HZ   LYS  59          3HZ       LYS  59  -1.028   2.408  17.018
  519    H    TYR  60           H        TYR  60  -1.668  -2.493  10.595
  520    HA   TYR  60           HA       TYR  60   0.285  -4.496  11.055
  521   1HB   TYR  60          2HB       TYR  60  -1.949  -5.096  10.331
  522   2HB   TYR  60          1HB       TYR  60  -1.758  -4.185   8.835
  523    HD1  TYR  60           1HD      TYR  60  -0.796  -7.239  10.665
  524    HD2  TYR  60           2HD      TYR  60  -0.410  -5.044   6.990
  525    HE1  TYR  60           1HE      TYR  60   0.126  -9.258   9.556
  526    HE2  TYR  60           2HE      TYR  60   0.518  -7.062   5.886
  527    HH   TYR  60           HH       TYR  60   1.006 -10.095   7.699
  528    H    ILE  61           H        ILE  61  -0.126  -2.248   8.327
  529    HA   ILE  61           HA       ILE  61   2.022  -3.259   6.720
  530    HB   ILE  61           HB       ILE  61   0.637  -0.585   6.916
  531   1HG1  ILE  61          2HG1      ILE  61  -0.303  -2.759   5.785
  532   2HG1  ILE  61          1HG1      ILE  61  -0.434  -1.222   4.936
  533   1HG2  ILE  61          1HG2      ILE  61   1.958  -0.081   4.757
  534   2HG2  ILE  61          2HG2      ILE  61   3.065  -1.344   5.295
  535   3HG2  ILE  61          3HG2      ILE  61   2.812   0.089   6.291
  536   1HD1  ILE  61          1HD1      ILE  61   1.270  -1.749   3.432
  537   2HD1  ILE  61          2HD1      ILE  61   0.504  -3.322   3.661
  538   3HD1  ILE  61          3HD1      ILE  61   1.998  -2.933   4.516
  539    H    TYR  62           H        TYR  62   1.893  -0.754   9.253
  540    HA   TYR  62           HA       TYR  62   4.478   0.315   9.022
  541   1HB   TYR  62          2HB       TYR  62   2.584  -0.096  11.318
  542   2HB   TYR  62          1HB       TYR  62   4.238   0.395  11.683
  543    HD1  TYR  62           1HD      TYR  62   4.054   2.679  12.301
  544    HD2  TYR  62           2HD      TYR  62   2.123   1.271   8.727
  545    HE1  TYR  62           1HE      TYR  62   3.510   5.017  11.669
  546    HE2  TYR  62           2HE      TYR  62   1.578   3.607   8.101
  547    HH   TYR  62           HH       TYR  62   2.849   6.051   8.841
  548    H    ASP  63           H        ASP  63   3.443  -2.571  10.841
  549    HA   ASP  63           HA       ASP  63   6.094  -3.280  11.717
  550   1HB   ASP  63          2HB       ASP  63   3.847  -4.071  12.684
  551   2HB   ASP  63          1HB       ASP  63   3.783  -5.194  11.325
  552    H    ARG  64           H        ARG  64   4.204  -3.931   8.828
  553    HA   ARG  64           HA       ARG  64   5.815  -6.099   7.809
  554   1HB   ARG  64          2HB       ARG  64   3.502  -5.598   6.997
  555   2HB   ARG  64          1HB       ARG  64   4.103  -4.113   6.263
  556   1HG   ARG  64          2HG       ARG  64   4.110  -5.686   4.485
  557   2HG   ARG  64          1HG       ARG  64   5.786  -5.632   5.024
  558   1HD   ARG  64          2HD       ARG  64   4.547  -7.579   6.636
  559   2HD   ARG  64          1HD       ARG  64   3.958  -7.885   5.002
  560    HE   ARG  64           HE       ARG  64   6.806  -7.465   4.953
  561   1HH1  ARG  64          1HH2      ARG  64   4.508  -9.585   6.162
  562   2HH1  ARG  64          2HH2      ARG  64   5.561 -10.949   6.220
  563   1HH2  ARG  64          1HH1      ARG  64   8.276  -9.195   4.953
  564   2HH2  ARG  64          2HH1      ARG  64   7.729 -10.738   5.536
  565    H    ILE  65           H        ILE  65   5.796  -2.588   7.157
  566    HA   ILE  65           HA       ILE  65   7.939  -2.612   5.269
  567    HB   ILE  65           HB       ILE  65   7.195  -0.385   7.191
  568   1HG1  ILE  65          2HG1      ILE  65   5.203  -1.037   5.979
  569   2HG1  ILE  65          1HG1      ILE  65   5.821   0.441   5.244
  570   1HG2  ILE  65          1HG2      ILE  65   9.262   0.154   6.171
  571   2HG2  ILE  65          2HG2      ILE  65   8.053   0.991   5.199
  572   3HG2  ILE  65          3HG2      ILE  65   8.765  -0.514   4.615
  573   1HD1  ILE  65          1HD1      ILE  65   5.372  -0.913   3.381
  574   2HD1  ILE  65          2HD1      ILE  65   5.932  -2.379   4.187
  575   3HD1  ILE  65          3HD1      ILE  65   7.095  -1.171   3.642
  576    H    ARG  66           H        ARG  66   7.931  -2.266   8.821
  577    HA   ARG  66           HA       ARG  66  10.666  -1.616   9.179
  578   1HB   ARG  66          2HB       ARG  66   8.762  -3.204  10.932
  579   2HB   ARG  66          1HB       ARG  66  10.392  -2.776  11.436
  580   1HG   ARG  66          2HG       ARG  66   9.880  -0.400  11.183
  581   2HG   ARG  66          1HG       ARG  66   8.264  -0.786  10.598
  582   1HD   ARG  66          2HD       ARG  66   8.185  -0.221  12.985
  583   2HD   ARG  66          1HD       ARG  66   7.736  -1.898  12.736
  584    HE   ARG  66           HE       ARG  66  10.577  -1.643  13.264
  585   1HH1  ARG  66          1HH2      ARG  66   7.568  -1.314  14.759
  586   2HH1  ARG  66          2HH2      ARG  66   8.190  -1.541  16.375
  587   1HH2  ARG  66          1HH1      ARG  66  11.456  -1.967  15.308
  588   2HH2  ARG  66          2HH1      ARG  66  10.402  -1.895  16.686
  589    H    LYS  67           H        LYS  67   9.103  -4.800   8.832
  590    HA   LYS  67           HA       LYS  67  11.448  -6.369   9.343
  591   1HB   LYS  67          2HB       LYS  67   9.127  -7.274   9.357
  592   2HB   LYS  67          1HB       LYS  67   9.055  -7.064   7.608
  593   1HG   LYS  67          2HG       LYS  67  10.918  -8.631   7.313
  594   2HG   LYS  67          1HG       LYS  67  11.080  -8.798   9.062
  595   1HD   LYS  67          2HD       LYS  67   8.784  -9.713   9.189
  596   2HD   LYS  67          1HD       LYS  67   8.627  -9.554   7.439
  597   1HE   LYS  67          2HE       LYS  67  10.469 -11.131   7.098
  598   2HE   LYS  67          1HE       LYS  67  10.721 -11.247   8.840
  599   1HZ   LYS  67          1HZ       LYS  67   9.250 -12.889   8.832
  600   2HZ   LYS  67          2HZ       LYS  67   8.843 -12.615   7.205
  601   3HZ   LYS  67          3HZ       LYS  67   8.045 -11.760   8.438
  602    H    LEU  68           H        LEU  68   9.967  -5.346   6.237
  603    HA   LEU  68           HA       LEU  68  12.072  -6.441   4.605
  604   1HB   LEU  68          2HB       LEU  68  10.128  -4.173   4.070
  605   2HB   LEU  68          1HB       LEU  68  11.181  -4.883   2.850
  606    HG   LEU  68           HG       LEU  68   9.204  -6.521   4.457
  607   1HD1  LEU  68          1HD1      LEU  68   7.905  -6.413   2.216
  608   2HD1  LEU  68          2HD1      LEU  68   8.887  -4.989   1.875
  609   3HD1  LEU  68          3HD1      LEU  68   7.818  -5.006   3.276
  610   1HD2  LEU  68          1HD2      LEU  68   9.483  -7.956   2.315
  611   2HD2  LEU  68          2HD2      LEU  68  10.822  -7.944   3.463
  612   3HD2  LEU  68          3HD2      LEU  68  10.909  -6.964   1.999
  613    H    CYS  69           H        CYS  69  11.642  -3.388   6.300
  614    HA   CYS  69           HA       CYS  69  13.609  -1.827   4.985
  615   1HB   CYS  69          2HB       CYS  69  12.409  -1.827   7.731
  616   2HB   CYS  69          1HB       CYS  69  13.818  -0.811   7.425
  617    HG   CYS  69           HG       CYS  69  12.480   0.507   5.656
  618    H    LYS  70           H        LYS  70  13.963  -3.863   7.904
  619    HA   LYS  70           HA       LYS  70  16.799  -3.494   8.131
  620   1HB   LYS  70          2HB       LYS  70  14.822  -5.485   9.195
  621   2HB   LYS  70          1HB       LYS  70  16.544  -5.826   9.350
  622   1HG   LYS  70          2HG       LYS  70  15.601  -4.632  11.342
  623   2HG   LYS  70          1HG       LYS  70  16.901  -3.741  10.553
  624   1HD   LYS  70          2HD       LYS  70  15.310  -2.305   9.420
  625   2HD   LYS  70          1HD       LYS  70  13.956  -3.267  10.016
  626   1HE   LYS  70          2HE       LYS  70  14.105  -1.343  11.450
  627   2HE   LYS  70          1HE       LYS  70  14.741  -2.707  12.371
  628   1HZ   LYS  70          1HZ       LYS  70  16.778  -1.466  10.825
  629   2HZ   LYS  70          2HZ       LYS  70  16.715  -1.740  12.500
  630   3HZ   LYS  70          3HZ       LYS  70  16.024  -0.335  11.841
  631    H    GLU  71           H        GLU  71  14.798  -5.767   6.323
  632    HA   GLU  71           HA       GLU  71  16.711  -7.739   5.690
  633   1HB   GLU  71          2HB       GLU  71  14.367  -6.649   4.130
  634   2HB   GLU  71          1HB       GLU  71  15.355  -7.978   3.525
  635   1HG   GLU  71          2HG       GLU  71  14.039  -7.997   6.250
  636   2HG   GLU  71          1HG       GLU  71  13.295  -8.687   4.808
  637    H    HIS  72           H        HIS  72  15.764  -5.135   3.408
  638    HA   HIS  72           HA       HIS  72  18.271  -5.523   1.947
  639   1HB   HIS  72          2HB       HIS  72  17.342  -3.575   0.573
  640   2HB   HIS  72          1HB       HIS  72  16.377  -5.049   0.591
  641    HD1  HIS  72           1HD      HIS  72  16.496  -1.594   2.152
  642    HD2  HIS  72           2HD      HIS  72  13.824  -4.769   1.715
  643    HE1  HIS  72           1HE      HIS  72  14.252  -0.767   2.995
  644    HE2  HIS  72           2HE      HIS  72  12.620  -2.692   2.734
  645    H    ASN  73           H        ASN  73  17.657  -4.001   4.764
  646    HA   ASN  73           HA       ASN  73  18.556  -2.089   5.847
  647   1HB   ASN  73          2HB       ASN  73  20.379  -3.843   5.756
  648   2HB   ASN  73          1HB       ASN  73  21.016  -2.998   4.338
  649   1HD2  ASN  73          1HD2      ASN  73  20.323  -2.603   7.832
  650   2HD2  ASN  73          2HD2      ASN  73  21.392  -1.298   8.068
  651    H    VAL  74           H        VAL  74  17.311  -1.359   3.348
  652    HA   VAL  74           HA       VAL  74  19.136   0.428   1.936
  653    HB   VAL  74           HB       VAL  74  16.128   0.097   1.891
  654   1HG1  VAL  74          1HG1      VAL  74  16.474   2.376   1.309
  655   2HG1  VAL  74          2HG1      VAL  74  16.353   1.522  -0.229
  656   3HG1  VAL  74          3HG1      VAL  74  17.932   2.002   0.392
  657   1HG2  VAL  74          1HG2      VAL  74  16.461  -1.280   0.094
  658   2HG2  VAL  74          2HG2      VAL  74  18.041  -1.515   0.842
  659   3HG2  VAL  74          3HG2      VAL  74  17.853  -0.363  -0.481
  660    H    ASP  75           H        ASP  75  16.571   0.796   4.380
  661    HA   ASP  75           HA       ASP  75  17.836   3.178   5.447
  662   1HB   ASP  75          2HB       ASP  75  16.060   4.775   4.937
  663   2HB   ASP  75          1HB       ASP  75  16.725   4.130   3.436
  664    H    GLU  76           H        GLU  76  15.647   4.309   6.760
  665    HA   GLU  76           HA       GLU  76  14.327   2.047   8.176
  666   1HB   GLU  76          2HB       GLU  76  16.399   2.621   9.432
  667   2HB   GLU  76          1HB       GLU  76  15.824   4.282   9.581
  668   1HG   GLU  76          2HG       GLU  76  13.849   3.517  10.814
  669   2HG   GLU  76          1HG       GLU  76  14.357   1.839  10.618
  670    H    ASN  77           H        ASN  77  14.433   5.263   9.502
  671    HA   ASN  77           HA       ASN  77  11.605   5.537   9.582
  672   1HB   ASN  77          2HB       ASN  77  12.110   7.972  10.054
  673   2HB   ASN  77          1HB       ASN  77  12.935   6.823  11.105
  674   1HD2  ASN  77          1HD2      ASN  77  13.450   9.513   9.092
  675   2HD2  ASN  77          2HD2      ASN  77  15.129   9.355   8.894
  676    H    ILE  78           H        ILE  78  13.959   6.808   7.219
  677    HA   ILE  78           HA       ILE  78  12.219   8.491   5.771
  678    HB   ILE  78           HB       ILE  78  14.337   6.713   4.532
  679   1HG1  ILE  78          2HG1      ILE  78  15.320   9.322   5.088
  680   2HG1  ILE  78          1HG1      ILE  78  14.584   8.726   6.575
  681   1HG2  ILE  78          1HG2      ILE  78  13.156   9.410   3.805
  682   2HG2  ILE  78          2HG2      ILE  78  12.983   7.904   2.904
  683   3HG2  ILE  78          3HG2      ILE  78  14.557   8.694   3.006
  684   1HD1  ILE  78          1HD1      ILE  78  15.923   6.696   6.482
  685   2HD1  ILE  78          2HD1      ILE  78  16.995   8.091   6.363
  686   3HD1  ILE  78          3HD1      ILE  78  16.586   7.166   4.918
  687    H    GLY  79           H        GLY  79  12.705   4.980   5.457
  688   1HA   GLY  79          2HA       GLY  79  11.016   4.630   3.177
  689   2HA   GLY  79          1HA       GLY  79  11.436   3.362   4.329
  690    H    ILE  80           H        ILE  80  10.304   4.322   6.669
  691    HA   ILE  80           HA       ILE  80   7.573   3.552   6.351
  692    HB   ILE  80           HB       ILE  80   8.977   5.008   8.600
  693   1HG1  ILE  80          2HG1      ILE  80   8.017   2.140   8.395
  694   2HG1  ILE  80          1HG1      ILE  80   9.667   2.640   8.023
  695   1HG2  ILE  80          1HG2      ILE  80   6.938   4.143   9.912
  696   2HG2  ILE  80          2HG2      ILE  80   6.158   3.955   8.342
  697   3HG2  ILE  80          3HG2      ILE  80   6.683   5.551   8.882
  698   1HD1  ILE  80          1HD1      ILE  80   8.328   3.238  10.672
  699   2HD1  ILE  80          2HD1      ILE  80  10.039   3.394  10.272
  700   3HD1  ILE  80          3HD1      ILE  80   9.304   1.796  10.395
  701    H    LYS  81           H        LYS  81   9.049   6.779   6.726
  702    HA   LYS  81           HA       LYS  81   6.657   8.296   6.855
  703   1HB   LYS  81          2HB       LYS  81   9.372   8.954   5.701
  704   2HB   LYS  81          1HB       LYS  81   8.071  10.138   5.823
  705   1HG   LYS  81          2HG       LYS  81   7.966   9.752   8.269
  706   2HG   LYS  81          1HG       LYS  81   9.282   8.586   8.131
  707   1HD   LYS  81          2HD       LYS  81  10.814  10.293   7.384
  708   2HD   LYS  81          1HD       LYS  81   9.514  11.478   7.257
  709   1HE   LYS  81          2HE       LYS  81  10.788  11.833   9.332
  710   2HE   LYS  81          1HE       LYS  81   9.144  11.313   9.705
  711   1HZ   LYS  81          1HZ       LYS  81  10.353   8.960   9.541
  712   2HZ   LYS  81          2HZ       LYS  81  10.236   9.839  10.990
  713   3HZ   LYS  81          3HZ       LYS  81  11.662   9.902  10.069
  714    H    ILE  82           H        ILE  82   8.414   7.056   4.022
  715    HA   ILE  82           HA       ILE  82   6.885   8.469   2.045
  716    HB   ILE  82           HB       ILE  82   8.414   5.862   1.924
  717   1HG1  ILE  82          2HG1      ILE  82   9.120   8.608   0.854
  718   2HG1  ILE  82          1HG1      ILE  82   9.643   8.025   2.435
  719   1HG2  ILE  82          1HG2      ILE  82   8.375   6.400  -0.590
  720   2HG2  ILE  82          2HG2      ILE  82   7.051   7.505  -0.220
  721   3HG2  ILE  82          3HG2      ILE  82   6.879   5.781   0.104
  722   1HD1  ILE  82          1HD1      ILE  82  10.856   6.189   1.429
  723   2HD1  ILE  82          2HD1      ILE  82  11.337   7.668   0.599
  724   3HD1  ILE  82          3HD1      ILE  82  10.194   6.563  -0.162
  725    H    PHE  83           H        PHE  83   6.481   5.211   3.457
  726    HA   PHE  83           HA       PHE  83   4.314   4.367   1.832
  727   1HB   PHE  83          2HB       PHE  83   5.278   3.684   4.589
  728   2HB   PHE  83          1HB       PHE  83   3.714   3.064   4.058
  729    HD1  PHE  83           1HD      PHE  83   3.609   1.794   1.831
  730    HD2  PHE  83           2HD      PHE  83   7.290   2.670   3.867
  731    HE1  PHE  83           1HE      PHE  83   4.755   0.031   0.515
  732    HE2  PHE  83           2HE      PHE  83   8.435   0.905   2.552
  733    HZ   PHE  83           HZ       PHE  83   7.168  -0.414   0.877
  734    H    GLN  84           H        GLN  84   4.278   6.145   4.926
  735    HA   GLN  84           HA       GLN  84   1.497   6.293   5.328
  736   1HB   GLN  84          2HB       GLN  84   3.184   7.112   6.944
  737   2HB   GLN  84          1HB       GLN  84   3.576   8.442   5.856
  738   1HG   GLN  84          2HG       GLN  84   1.324   9.341   6.066
  739   2HG   GLN  84          1HG       GLN  84   0.824   7.952   7.033
  740   1HE2  GLN  84          1HE2      GLN  84   0.642  10.605   8.094
  741   2HE2  GLN  84          2HE2      GLN  84   1.777  10.761   9.353
  742    H    ARG  85           H        ARG  85   3.590   8.315   3.287
  743    HA   ARG  85           HA       ARG  85   1.609  10.197   2.476
  744   1HB   ARG  85          2HB       ARG  85   4.093   9.162   1.075
  745   2HB   ARG  85          1HB       ARG  85   3.105  10.467   0.429
  746   1HG   ARG  85          2HG       ARG  85   3.513  11.810   2.449
  747   2HG   ARG  85          1HG       ARG  85   4.440  10.488   3.165
  748   1HD   ARG  85          2HD       ARG  85   5.981  12.124   2.159
  749   2HD   ARG  85          1HD       ARG  85   6.044  10.626   1.267
  750    HE   ARG  85           HE       ARG  85   4.088  12.304   0.034
  751   1HH1  ARG  85          1HH2      ARG  85   7.479  12.114   0.685
  752   2HH1  ARG  85          2HH2      ARG  85   7.932  13.183  -0.603
  753   1HH2  ARG  85          1HH1      ARG  85   4.696  13.681  -1.725
  754   2HH2  ARG  85          2HH1      ARG  85   6.370  14.059  -1.953
  755    H    LEU  86           H        LEU  86   2.521   7.015   1.171
  756    HA   LEU  86           HA       LEU  86   0.810   7.076  -1.130
  757   1HB   LEU  86          2HB       LEU  86   1.641   4.642   0.475
  758   2HB   LEU  86          1HB       LEU  86   1.138   4.671  -1.214
  759    HG   LEU  86           HG       LEU  86   3.596   6.042  -0.088
  760   1HD1  LEU  86          1HD1      LEU  86   3.618   3.495  -0.234
  761   2HD1  LEU  86          2HD1      LEU  86   4.881   4.325  -1.145
  762   3HD1  LEU  86          3HD1      LEU  86   3.465   3.686  -1.980
  763   1HD2  LEU  86          1HD2      LEU  86   2.934   7.322  -1.946
  764   2HD2  LEU  86          2HD2      LEU  86   2.334   5.912  -2.821
  765   3HD2  LEU  86          3HD2      LEU  86   4.071   6.168  -2.645
  766    H    ILE  87           H        ILE  87   0.284   5.974   2.213
  767    HA   ILE  87           HA       ILE  87  -2.344   4.898   1.766
  768    HB   ILE  87           HB       ILE  87  -1.217   6.075   4.324
  769   1HG1  ILE  87          2HG1      ILE  87   0.316   4.395   3.414
  770   2HG1  ILE  87          1HG1      ILE  87  -0.530   3.729   4.811
  771   1HG2  ILE  87          1HG2      ILE  87  -3.413   4.062   3.763
  772   2HG2  ILE  87          2HG2      ILE  87  -3.612   5.675   4.447
  773   3HG2  ILE  87          3HG2      ILE  87  -2.781   4.424   5.370
  774   1HD1  ILE  87          1HD1      ILE  87  -2.248   2.881   3.010
  775   2HD1  ILE  87          2HD1      ILE  87  -0.748   1.992   3.269
  776   3HD1  ILE  87          3HD1      ILE  87  -0.895   3.091   1.898
  777    H    GLU  88           H        GLU  88  -1.203   8.110   2.800
  778    HA   GLU  88           HA       GLU  88  -3.652   9.334   3.411
  779   1HB   GLU  88          2HB       GLU  88  -1.377  10.387   3.599
  780   2HB   GLU  88          1HB       GLU  88  -1.385  10.611   1.850
  781   1HG   GLU  88          2HG       GLU  88  -2.137  12.680   2.836
  782   2HG   GLU  88          1HG       GLU  88  -3.549  11.898   2.123
  783    H    HIS  89           H        HIS  89  -2.044   9.388   0.210
  784    HA   HIS  89           HA       HIS  89  -4.294  10.495  -1.166
  785   1HB   HIS  89          2HB       HIS  89  -3.022  10.241  -3.092
  786   2HB   HIS  89          1HB       HIS  89  -1.762  10.212  -1.863
  787    HD1  HIS  89           1HD      HIS  89  -0.199   8.283  -2.034
  788    HD2  HIS  89           2HD      HIS  89  -3.900   7.407  -3.747
  789    HE1  HIS  89           1HE      HIS  89   0.021   5.986  -3.083
  790    HE2  HIS  89           2HE      HIS  89  -2.225   5.444  -4.128
  791    H    ASN  90           H        ASN  90  -3.573   7.292  -0.085
  792    HA   ASN  90           HA       ASN  90  -5.347   5.875  -1.897
  793   1HB   ASN  90          2HB       ASN  90  -3.430   4.893  -0.491
  794   2HB   ASN  90          1HB       ASN  90  -4.528   4.995   0.884
  795   1HD2  ASN  90          1HD2      ASN  90  -4.320   3.605  -2.435
  796   2HD2  ASN  90          2HD2      ASN  90  -5.317   2.272  -2.098
  797    H    LYS  91           H        LYS  91  -5.623   7.087   1.453
  798    HA   LYS  91           HA       LYS  91  -8.390   6.301   1.775
  799   1HB   LYS  91          2HB       LYS  91  -6.920   6.727   3.715
  800   2HB   LYS  91          1HB       LYS  91  -6.755   8.414   3.227
  801   1HG   LYS  91          2HG       LYS  91  -9.187   8.739   3.508
  802   2HG   LYS  91          1HG       LYS  91  -9.357   7.053   3.993
  803   1HD   LYS  91          2HD       LYS  91  -7.849   7.457   5.916
  804   2HD   LYS  91          1HD       LYS  91  -7.705   9.149   5.440
  805   1HE   LYS  91          2HE       LYS  91 -10.255   7.730   6.268
  806   2HE   LYS  91          1HE       LYS  91  -9.385   8.944   7.206
  807   1HZ   LYS  91          1HZ       LYS  91  -9.731  10.469   5.262
  808   2HZ   LYS  91          2HZ       LYS  91 -11.140  10.054   6.118
  809   3HZ   LYS  91          3HZ       LYS  91 -10.798   9.314   4.626
  810    H    ALA  92           H        ALA  92  -6.834   9.453   1.195
  811    HA   ALA  92           HA       ALA  92  -8.984  11.146   0.973
  812   1HB   ALA  92          1HB       ALA  92  -6.550  11.704   0.546
  813   2HB   ALA  92          2HB       ALA  92  -7.702  12.494  -0.530
  814   3HB   ALA  92          3HB       ALA  92  -6.784  11.099  -1.095
  815    H    LEU  93           H        LEU  93  -7.704   9.420  -1.914
  816    HA   LEU  93           HA       LEU  93 -10.021  10.175  -3.460
  817   1HB   LEU  93          2HB       LEU  93  -8.834   9.431  -5.239
  818   2HB   LEU  93          1HB       LEU  93  -7.501   9.394  -4.096
  819    HG   LEU  93           HG       LEU  93  -7.505   7.303  -5.257
  820   1HD1  LEU  93          1HD1      LEU  93  -7.068   6.208  -3.355
  821   2HD1  LEU  93          2HD1      LEU  93  -8.794   6.062  -3.020
  822   3HD1  LEU  93          3HD1      LEU  93  -7.905   7.478  -2.462
  823   1HD2  LEU  93          1HD2      LEU  93  -9.363   6.316  -6.040
  824   2HD2  LEU  93          2HD2      LEU  93 -10.261   7.711  -5.440
  825   3HD2  LEU  93          3HD2      LEU  93 -10.094   6.270  -4.436
  826    H    GLN  94           H        GLN  94  -9.379   7.532  -1.334
  827    HA   GLN  94           HA       GLN  94 -11.183   5.585  -2.400
  828   1HB   GLN  94          2HB       GLN  94  -9.788   6.094   0.132
  829   2HB   GLN  94          1HB       GLN  94 -11.360   5.325   0.356
  830   1HG   GLN  94          2HG       GLN  94 -10.751   3.572  -1.262
  831   2HG   GLN  94          1HG       GLN  94  -9.174   4.328  -1.503
  832   1HE2  GLN  94          1HE2      GLN  94  -7.555   4.007   0.111
  833   2HE2  GLN  94          2HE2      GLN  94  -7.781   2.971   1.449
  834    H    LYS  95           H        LYS  95 -11.682   8.059   0.138
  835    HA   LYS  95           HA       LYS  95 -14.501   7.618   0.404
  836   1HB   LYS  95          2HB       LYS  95 -12.764  10.026   1.035
  837   2HB   LYS  95          1HB       LYS  95 -14.473   9.931   1.452
  838   1HG   LYS  95          2HG       LYS  95 -13.985   7.832   2.740
  839   2HG   LYS  95          1HG       LYS  95 -12.268   8.085   2.421
  840   1HD   LYS  95          2HD       LYS  95 -12.279  10.182   3.616
  841   2HD   LYS  95          1HD       LYS  95 -14.036  10.153   3.758
  842   1HE   LYS  95          2HE       LYS  95 -13.891   8.128   5.162
  843   2HE   LYS  95          1HE       LYS  95 -12.133   8.157   5.025
  844   1HZ   LYS  95          1HZ       LYS  95 -13.869   9.739   6.683
  845   2HZ   LYS  95          2HZ       LYS  95 -12.732  10.672   5.833
  846   3HZ   LYS  95          3HZ       LYS  95 -12.212   9.415   6.851
  847    H    GLN  96           H        GLN  96 -12.624   9.941  -1.548
  848    HA   GLN  96           HA       GLN  96 -14.892  11.324  -2.624
  849   1HB   GLN  96          2HB       GLN  96 -12.120  10.920  -3.791
  850   2HB   GLN  96          1HB       GLN  96 -13.301  12.092  -4.375
  851   1HG   GLN  96          2HG       GLN  96 -12.204  12.019  -1.546
  852   2HG   GLN  96          1HG       GLN  96 -11.633  13.103  -2.814
  853   1HE2  GLN  96          1HE2      GLN  96 -13.536  14.430  -3.894
  854   2HE2  GLN  96          2HE2      GLN  96 -14.709  15.034  -2.827
  855    H    TYR  97           H        TYR  97 -13.126   8.442  -3.661
  856    HA   TYR  97           HA       TYR  97 -14.386   8.108  -6.206
  857   1HB   TYR  97          2HB       TYR  97 -12.410   6.833  -5.721
  858   2HB   TYR  97          1HB       TYR  97 -13.135   6.147  -4.267
  859    HD1  TYR  97           1HD      TYR  97 -13.423   6.242  -7.989
  860    HD2  TYR  97           2HD      TYR  97 -14.446   4.177  -4.363
  861    HE1  TYR  97           1HE      TYR  97 -14.298   4.340  -9.320
  862    HE2  TYR  97           2HE      TYR  97 -15.322   2.277  -5.695
  863    HH   TYR  97           HH       TYR  97 -15.435   2.414  -9.243
  864    H    LEU  98           H        LEU  98 -15.148   6.613  -3.039
  865    HA   LEU  98           HA       LEU  98 -17.477   5.220  -3.933
  866   1HB   LEU  98          2HB       LEU  98 -16.674   6.249  -1.201
  867   2HB   LEU  98          1HB       LEU  98 -18.118   5.276  -1.470
  868    HG   LEU  98           HG       LEU  98 -15.304   4.409  -2.207
  869   1HD1  LEU  98          1HD1      LEU  98 -15.302   4.370   0.139
  870   2HD1  LEU  98          2HD1      LEU  98 -15.872   2.748  -0.257
  871   3HD1  LEU  98          3HD1      LEU  98 -17.022   3.993   0.228
  872   1HD2  LEU  98          1HD2      LEU  98 -16.670   2.136  -2.121
  873   2HD2  LEU  98          2HD2      LEU  98 -16.695   3.131  -3.577
  874   3HD2  LEU  98          3HD2      LEU  98 -18.041   3.197  -2.439
  875    H    GLU  99           H        GLU  99 -17.040   8.489  -2.610
  876    HA   GLU  99           HA       GLU  99 -19.832   9.148  -2.421
  877   1HB   GLU  99          2HB       GLU  99 -17.273  10.706  -2.506
  878   2HB   GLU  99          1HB       GLU  99 -18.798  11.565  -2.726
  879   1HG   GLU  99          2HG       GLU  99 -18.180  11.542  -0.347
  880   2HG   GLU  99          1HG       GLU  99 -19.640  10.585  -0.609
  881    H    GLU 100           H        GLU 100 -17.451   9.498  -5.027
  882    HA   GLU 100           HA       GLU 100 -19.171  11.017  -6.761
  883   1HB   GLU 100          2HB       GLU 100 -17.410  11.005  -8.204
  884   2HB   GLU 100          1HB       GLU 100 -16.538  10.434  -6.783
  885   1HG   GLU 100          2HG       GLU 100 -15.935   8.874  -8.430
  886   2HG   GLU 100          1HG       GLU 100 -17.249   8.056  -7.585
  887    H    THR 101           H        THR 101 -18.917   7.606  -6.080
  888    HA   THR 101           HA       THR 101 -20.366   6.799  -8.498
  889    HB   THR 101           HB       THR 101 -20.540   4.595  -7.180
  890    HG1  THR 101           1HG      THR 101 -19.762   4.591  -5.235
  891   1HG2  THR 101          1HG2      THR 101 -18.198   4.047  -7.630
  892   2HG2  THR 101          2HG2      THR 101 -17.791   5.762  -7.698
  893   3HG2  THR 101          3HG2      THR 101 -18.839   5.053  -8.928
  894    H    LEU 102           H        LEU 102 -21.120   7.629  -5.166
  895    HA   LEU 102           HA       LEU 102 -23.822   6.603  -5.173
  896   1HB   LEU 102          2HB       LEU 102 -22.500   8.768  -3.503
  897   2HB   LEU 102          1HB       LEU 102 -24.127   8.155  -3.210
  898    HG   LEU 102           HG       LEU 102 -21.649   6.409  -3.275
  899   1HD1  LEU 102          1HD1      LEU 102 -21.631   8.031  -1.379
  900   2HD1  LEU 102          2HD1      LEU 102 -21.817   6.364  -0.834
  901   3HD1  LEU 102          3HD1      LEU 102 -23.216   7.436  -0.889
  902   1HD2  LEU 102          1HD2      LEU 102 -24.577   5.980  -2.779
  903   2HD2  LEU 102          2HD2      LEU 102 -23.415   4.974  -1.915
  904   3HD2  LEU 102          3HD2      LEU 102 -23.441   4.976  -3.677
  905    H    GLU 103           H        GLU 103 -22.325   9.579  -6.268
  906    HA   GLU 103           HA       GLU 103 -24.647  11.234  -6.463
  907   1HB   GLU 103          2HB       GLU 103 -22.110  11.131  -8.123
  908   2HB   GLU 103          1HB       GLU 103 -23.315  12.409  -8.260
  909   1HG   GLU 103          2HG       GLU 103 -22.976  13.035  -5.928
  910   2HG   GLU 103          1HG       GLU 103 -21.855  11.689  -5.701
  911    H    HIS 104           H        HIS 104 -23.058   9.167  -8.872
  912    HA   HIS 104           HA       HIS 104 -25.063   9.558 -10.926
  913   1HB   HIS 104          2HB       HIS 104 -22.957   7.388 -10.535
  914   2HB   HIS 104          1HB       HIS 104 -23.958   7.536 -11.979
  915    HD1  HIS 104           1HD      HIS 104 -21.194   9.299 -10.093
  916    HD2  HIS 104           2HD      HIS 104 -23.197   9.626 -13.740
  917    HE1  HIS 104           1HE      HIS 104 -19.963  11.065 -11.433
  918    HE2  HIS 104           2HE      HIS 104 -21.174  11.273 -13.652
  919    H2   TSA 501           1H2      TSA 501  -4.416  -0.759   3.872
  920    H3   TSA 501           1H3      TSA 501  -6.316  -0.818   5.471
  921    H4   TSA 501           4H       TSA 501  -8.295   0.598   5.065
  922    HO5  TSA 501           HO5      TSA 501  -7.119   1.560   6.567
  923    H5   TSA 501           5H       TSA 501  -7.962   2.741   3.637
  924   1H6   TSA 501          1H6       TSA 501  -6.156   2.617   1.900
  925   2H6   TSA 501          2H6       TSA 501  -5.414   2.548   3.434
  926    H8   TSA 501           8H       TSA 501  -8.495  -0.062   0.812
  927   1H9   TSA 501          1H9       TSA 501  -6.072  -0.975   1.098
  928   2H9   TSA 501          2H9       TSA 501  -6.272   0.514   0.385
  Start of MODEL    2
    1   1H    MET   1          1HT       MET   1 -10.965 -18.184   4.042
    2   2H    MET   1          2HT       MET   1 -10.173 -19.341   5.000
    3   3H    MET   1          3HT       MET   1  -9.826 -19.227   3.341
    4    HA   MET   1           HA       MET   1  -9.283 -17.081   5.319
    5   1HB   MET   1          2HB       MET   1  -7.486 -19.189   4.076
    6   2HB   MET   1          1HB       MET   1  -6.881 -17.758   4.911
    7   1HG   MET   1          2HG       MET   1  -8.084 -18.446   6.962
    8   2HG   MET   1          1HG       MET   1  -8.678 -19.883   6.131
    9   1HE   MET   1          1HE       MET   1  -7.763 -20.439   8.494
   10   2HE   MET   1          2HE       MET   1  -6.178 -21.175   8.721
   11   3HE   MET   1          3HE       MET   1  -7.355 -21.945   7.660
   12    H    ILE   2           H        ILE   2  -9.889 -18.014   2.125
   13    HA   ILE   2           HA       ILE   2  -8.252 -15.814   0.974
   14    HB   ILE   2           HB       ILE   2  -9.939 -17.958  -0.360
   15   1HG1  ILE   2          2HG1      ILE   2  -6.922 -17.658  -0.259
   16   2HG1  ILE   2          1HG1      ILE   2  -7.831 -18.693   0.841
   17   1HG2  ILE   2          1HG2      ILE   2  -8.163 -15.767  -1.455
   18   2HG2  ILE   2          2HG2      ILE   2  -9.863 -16.062  -1.821
   19   3HG2  ILE   2          3HG2      ILE   2  -8.629 -17.179  -2.405
   20   1HD1  ILE   2          1HD1      ILE   2  -8.774 -19.899  -1.130
   21   2HD1  ILE   2          2HD1      ILE   2  -7.018 -20.028  -1.035
   22   3HD1  ILE   2          3HD1      ILE   2  -7.759 -18.913  -2.182
   23    H    GLU   3           H        GLU   3  -9.209 -13.855   0.742
   24    HA   GLU   3           HA       GLU   3 -12.144 -13.753   0.191
   25   1HB   GLU   3          2HB       GLU   3 -10.665 -11.911   2.095
   26   2HB   GLU   3          1HB       GLU   3 -12.392 -11.884   1.736
   27   1HG   GLU   3          2HG       GLU   3 -10.929 -14.230   2.980
   28   2HG   GLU   3          1HG       GLU   3 -11.886 -13.054   3.880
   29    H    LYS   4           H        LYS   4 -12.794 -11.770  -0.919
   30    HA   LYS   4           HA       LYS   4 -11.072 -10.977  -3.027
   31   1HB   LYS   4          2HB       LYS   4 -13.490  -9.581  -1.831
   32   2HB   LYS   4          1HB       LYS   4 -12.717  -9.094  -3.341
   33   1HG   LYS   4          2HG       LYS   4 -13.097 -11.420  -4.214
   34   2HG   LYS   4          1HG       LYS   4 -14.020 -11.771  -2.752
   35   1HD   LYS   4          2HD       LYS   4 -14.685  -9.425  -4.543
   36   2HD   LYS   4          1HD       LYS   4 -15.373 -11.026  -4.804
   37   1HE   LYS   4          2HE       LYS   4 -16.135 -10.968  -2.376
   38   2HE   LYS   4          1HE       LYS   4 -15.681  -9.264  -2.363
   39   1HZ   LYS   4          1HZ       LYS   4 -17.885  -9.175  -2.961
   40   2HZ   LYS   4          2HZ       LYS   4 -17.818 -10.604  -3.877
   41   3HZ   LYS   4          3HZ       LYS   4 -17.135  -9.171  -4.482
   42    H    LEU   5           H        LEU   5 -11.834  -9.301   0.029
   43    HA   LEU   5           HA       LEU   5 -10.042  -7.079  -0.423
   44   1HB   LEU   5          2HB       LEU   5 -11.954  -7.072   1.189
   45   2HB   LEU   5          1HB       LEU   5 -11.075  -8.223   2.190
   46    HG   LEU   5           HG       LEU   5  -9.555  -5.788   1.460
   47   1HD1  LEU   5          1HD1      LEU   5 -10.731  -4.428   3.177
   48   2HD1  LEU   5          2HD1      LEU   5 -11.937  -5.703   3.342
   49   3HD1  LEU   5          3HD1      LEU   5 -11.790  -4.819   1.823
   50   1HD2  LEU   5          1HD2      LEU   5 -10.115  -7.215   4.085
   51   2HD2  LEU   5          2HD2      LEU   5  -8.885  -5.978   3.821
   52   3HD2  LEU   5          3HD2      LEU   5  -8.744  -7.546   3.028
   53    H    ALA   6           H        ALA   6  -9.652 -10.317   0.809
   54    HA   ALA   6           HA       ALA   6  -7.128  -9.880   2.155
   55   1HB   ALA   6          1HB       ALA   6  -6.975 -12.438   1.874
   56   2HB   ALA   6          2HB       ALA   6  -8.584 -12.327   1.158
   57   3HB   ALA   6          3HB       ALA   6  -8.321 -11.809   2.824
   58    H    GLU   7           H        GLU   7  -7.802 -11.667  -0.893
   59    HA   GLU   7           HA       GLU   7  -5.114 -11.907  -1.709
   60   1HB   GLU   7          2HB       GLU   7  -7.607 -11.612  -3.406
   61   2HB   GLU   7          1HB       GLU   7  -6.036 -12.123  -4.023
   62   1HG   GLU   7          2HG       GLU   7  -7.525 -13.538  -1.793
   63   2HG   GLU   7          1HG       GLU   7  -7.561 -14.040  -3.484
   64    H    ILE   8           H        ILE   8  -7.371  -9.210  -2.151
   65    HA   ILE   8           HA       ILE   8  -5.766  -7.698  -3.978
   66    HB   ILE   8           HB       ILE   8  -7.838  -6.873  -1.939
   67   1HG1  ILE   8          2HG1      ILE   8  -7.960  -6.883  -4.965
   68   2HG1  ILE   8          1HG1      ILE   8  -8.477  -8.252  -3.982
   69   1HG2  ILE   8          1HG2      ILE   8  -6.834  -4.828  -2.147
   70   2HG2  ILE   8          2HG2      ILE   8  -7.734  -4.790  -3.665
   71   3HG2  ILE   8          3HG2      ILE   8  -6.034  -5.261  -3.658
   72   1HD1  ILE   8          1HD1      ILE   8 -10.445  -6.944  -4.415
   73   2HD1  ILE   8          2HD1      ILE   8  -9.620  -5.448  -3.979
   74   3HD1  ILE   8          3HD1      ILE   8  -9.999  -6.640  -2.736
   75    H    ARG   9           H        ARG   9  -5.982  -7.601  -0.409
   76    HA   ARG   9           HA       ARG   9  -4.006  -5.544  -0.080
   77   1HB   ARG   9          2HB       ARG   9  -5.437  -7.475   1.656
   78   2HB   ARG   9          1HB       ARG   9  -3.843  -6.999   2.245
   79   1HG   ARG   9          2HG       ARG   9  -5.218  -5.327   3.146
   80   2HG   ARG   9          1HG       ARG   9  -4.637  -4.560   1.669
   81   1HD   ARG   9          2HD       ARG   9  -6.720  -5.410   0.514
   82   2HD   ARG   9          1HD       ARG   9  -7.297  -5.937   2.093
   83    HE   ARG   9           HE       ARG   9  -7.384  -3.231   1.119
   84   1HH1  ARG   9          1HH2      ARG   9  -6.771  -5.180   3.896
   85   2HH1  ARG   9          2HH2      ARG   9  -6.989  -3.881   5.025
   86   1HH2  ARG   9          1HH1      ARG   9  -7.828  -1.557   2.593
   87   2HH2  ARG   9          2HH1      ARG   9  -7.552  -1.820   4.283
   88    H    LYS  10           H        LYS  10  -3.783  -8.992  -0.647
   89    HA   LYS  10           HA       LYS  10  -1.033  -9.329   0.157
   90   1HB   LYS  10          2HB       LYS  10  -2.816 -11.148  -0.383
   91   2HB   LYS  10          1HB       LYS  10  -2.365 -10.892  -2.068
   92   1HG   LYS  10          2HG       LYS  10  -0.879 -12.586  -1.494
   93   2HG   LYS  10          1HG       LYS  10   0.095 -11.166  -1.109
   94   1HD   LYS  10          2HD       LYS  10   0.315 -12.397   0.857
   95   2HD   LYS  10          1HD       LYS  10  -1.068 -11.376   1.250
   96   1HE   LYS  10          2HE       LYS  10  -1.889 -13.471   1.849
   97   2HE   LYS  10          1HE       LYS  10  -2.448 -13.361   0.180
   98   1HZ   LYS  10          1HZ       LYS  10  -1.031 -15.403   1.130
   99   2HZ   LYS  10          2HZ       LYS  10   0.228 -14.421   0.551
  100   3HZ   LYS  10          3HZ       LYS  10  -1.008 -14.929  -0.499
  101    H    LYS  11           H        LYS  11  -2.646  -8.239  -2.795
  102    HA   LYS  11           HA       LYS  11  -0.379  -8.221  -4.531
  103   1HB   LYS  11          2HB       LYS  11  -2.724  -6.282  -4.467
  104   2HB   LYS  11          1HB       LYS  11  -1.618  -6.507  -5.821
  105   1HG   LYS  11          2HG       LYS  11  -2.329  -9.010  -5.690
  106   2HG   LYS  11          1HG       LYS  11  -3.697  -8.408  -4.752
  107   1HD   LYS  11          2HD       LYS  11  -4.583  -8.299  -6.897
  108   2HD   LYS  11          1HD       LYS  11  -3.893  -6.682  -6.756
  109   1HE   LYS  11          2HE       LYS  11  -3.020  -7.359  -8.806
  110   2HE   LYS  11          1HE       LYS  11  -1.729  -7.849  -7.710
  111   1HZ   LYS  11          1HZ       LYS  11  -2.240  -9.655  -9.175
  112   2HZ   LYS  11          2HZ       LYS  11  -3.892  -9.574  -8.786
  113   3HZ   LYS  11          3HZ       LYS  11  -2.765 -10.069  -7.616
  114    H    ILE  12           H        ILE  12  -1.651  -5.796  -2.256
  115    HA   ILE  12           HA       ILE  12   0.222  -3.727  -2.740
  116    HB   ILE  12           HB       ILE  12  -1.333  -4.602  -0.312
  117   1HG1  ILE  12          2HG1      ILE  12  -2.397  -2.396  -0.632
  118   2HG1  ILE  12          1HG1      ILE  12  -1.299  -2.054  -1.969
  119   1HG2  ILE  12          1HG2      ILE  12  -0.454  -2.381   0.696
  120   2HG2  ILE  12          2HG2      ILE  12   0.873  -2.551  -0.453
  121   3HG2  ILE  12          3HG2      ILE  12   0.600  -3.792   0.769
  122   1HD1  ILE  12          1HD1      ILE  12  -2.258  -3.733  -3.333
  123   2HD1  ILE  12          2HD1      ILE  12  -3.643  -2.956  -2.565
  124   3HD1  ILE  12          3HD1      ILE  12  -3.057  -4.507  -1.963
  125    H    ASP  13           H        ASP  13   0.441  -6.659  -0.785
  126    HA   ASP  13           HA       ASP  13   2.879  -6.193   0.556
  127   1HB   ASP  13          2HB       ASP  13   1.289  -8.207   0.752
  128   2HB   ASP  13          1HB       ASP  13   2.115  -8.860  -0.661
  129    H    GLU  14           H        GLU  14   2.294  -7.449  -2.728
  130    HA   GLU  14           HA       GLU  14   5.074  -7.789  -3.394
  131   1HB   GLU  14          2HB       GLU  14   2.620  -7.356  -5.120
  132   2HB   GLU  14          1HB       GLU  14   4.215  -7.718  -5.772
  133   1HG   GLU  14          2HG       GLU  14   4.268  -9.836  -4.533
  134   2HG   GLU  14          1HG       GLU  14   2.701  -9.468  -3.810
  135    H    ILE  15           H        ILE  15   2.795  -5.097  -3.639
  136    HA   ILE  15           HA       ILE  15   4.588  -3.353  -5.109
  137    HB   ILE  15           HB       ILE  15   2.328  -2.477  -3.291
  138   1HG1  ILE  15          2HG1      ILE  15   1.335  -4.160  -4.672
  139   2HG1  ILE  15          1HG1      ILE  15   0.947  -2.620  -5.442
  140   1HG2  ILE  15          1HG2      ILE  15   3.856  -0.755  -4.266
  141   2HG2  ILE  15          2HG2      ILE  15   2.194  -0.601  -4.838
  142   3HG2  ILE  15          3HG2      ILE  15   3.421  -1.331  -5.875
  143   1HD1  ILE  15          1HD1      ILE  15   3.037  -4.644  -6.261
  144   2HD1  ILE  15          2HD1      ILE  15   3.093  -2.976  -6.830
  145   3HD1  ILE  15          3HD1      ILE  15   1.709  -3.996  -7.222
  146    H    ASP  16           H        ASP  16   3.773  -3.773  -1.675
  147    HA   ASP  16           HA       ASP  16   5.293  -1.614  -0.635
  148   1HB   ASP  16          2HB       ASP  16   4.520  -4.305   0.522
  149   2HB   ASP  16          1HB       ASP  16   5.365  -3.082   1.467
  150    H    ASN  17           H        ASN  17   6.236  -5.034  -1.097
  151    HA   ASN  17           HA       ASN  17   8.969  -4.664  -0.317
  152   1HB   ASN  17          2HB       ASN  17   7.915  -6.893  -0.457
  153   2HB   ASN  17          1HB       ASN  17   7.757  -6.702  -2.201
  154   1HD2  ASN  17          1HD2      ASN  17  10.631  -5.331  -0.805
  155   2HD2  ASN  17          2HD2      ASN  17  11.709  -6.549  -1.313
  156    H    LYS  18           H        LYS  18   7.281  -4.364  -3.405
  157    HA   LYS  18           HA       LYS  18   9.545  -4.204  -5.123
  158   1HB   LYS  18          2HB       LYS  18   7.149  -4.436  -5.843
  159   2HB   LYS  18          1HB       LYS  18   6.909  -2.739  -5.438
  160   1HG   LYS  18          2HG       LYS  18   8.663  -2.104  -7.066
  161   2HG   LYS  18          1HG       LYS  18   8.883  -3.804  -7.483
  162   1HD   LYS  18          2HD       LYS  18   6.178  -2.467  -7.672
  163   2HD   LYS  18          1HD       LYS  18   7.327  -2.420  -9.008
  164   1HE   LYS  18          2HE       LYS  18   7.448  -4.969  -8.809
  165   2HE   LYS  18          1HE       LYS  18   6.040  -4.853  -7.752
  166   1HZ   LYS  18          1HZ       LYS  18   5.475  -5.245 -10.109
  167   2HZ   LYS  18          2HZ       LYS  18   6.165  -3.743 -10.504
  168   3HZ   LYS  18          3HZ       LYS  18   4.800  -3.815  -9.495
  169    H    ILE  19           H        ILE  19   7.824  -1.621  -3.341
  170    HA   ILE  19           HA       ILE  19   9.536   0.477  -4.393
  171    HB   ILE  19           HB       ILE  19   7.298   1.007  -3.597
  172   1HG1  ILE  19          2HG1      ILE  19   9.535   2.472  -3.106
  173   2HG1  ILE  19          1HG1      ILE  19   7.905   3.034  -2.736
  174   1HG2  ILE  19          1HG2      ILE  19   6.903   0.927  -1.082
  175   2HG2  ILE  19          2HG2      ILE  19   8.345  -0.083  -0.978
  176   3HG2  ILE  19          3HG2      ILE  19   6.943  -0.637  -1.896
  177   1HD1  ILE  19          1HD1      ILE  19   9.630   3.204  -0.845
  178   2HD1  ILE  19          2HD1      ILE  19   9.533   1.445  -0.747
  179   3HD1  ILE  19          3HD1      ILE  19   8.099   2.426  -0.446
  180    H    LEU  20           H        LEU  20   9.756  -1.756  -1.716
  181    HA   LEU  20           HA       LEU  20  11.815  -0.227  -0.304
  182   1HB   LEU  20          2HB       LEU  20  10.832  -3.085  -0.063
  183   2HB   LEU  20          1HB       LEU  20  12.119  -2.426   0.942
  184    HG   LEU  20           HG       LEU  20   9.333  -1.239   0.747
  185   1HD1  LEU  20          1HD1      LEU  20  10.523  -2.820   3.037
  186   2HD1  LEU  20          2HD1      LEU  20   9.518  -3.562   1.792
  187   3HD1  LEU  20          3HD1      LEU  20   8.847  -2.307   2.835
  188   1HD2  LEU  20          1HD2      LEU  20  10.616   0.516   1.539
  189   2HD2  LEU  20          2HD2      LEU  20  11.854  -0.549   2.204
  190   3HD2  LEU  20          3HD2      LEU  20  10.328  -0.324   3.062
  191    H    LYS  21           H        LYS  21  11.725  -2.188  -3.087
  192    HA   LYS  21           HA       LYS  21  14.172  -3.592  -3.007
  193   1HB   LYS  21          2HB       LYS  21  14.046  -3.708  -5.374
  194   2HB   LYS  21          1HB       LYS  21  12.367  -3.600  -4.849
  195   1HG   LYS  21          2HG       LYS  21  12.517  -1.095  -5.197
  196   2HG   LYS  21          1HG       LYS  21  14.095  -1.361  -5.938
  197   1HD   LYS  21          2HD       LYS  21  13.071  -2.835  -7.622
  198   2HD   LYS  21          1HD       LYS  21  11.489  -2.597  -6.879
  199   1HE   LYS  21          2HE       LYS  21  13.192  -0.342  -7.978
  200   2HE   LYS  21          1HE       LYS  21  11.901  -1.130  -8.884
  201   1HZ   LYS  21          1HZ       LYS  21  10.667  -0.557  -6.584
  202   2HZ   LYS  21          2HZ       LYS  21  10.644   0.451  -7.951
  203   3HZ   LYS  21          3HZ       LYS  21  11.742   0.750  -6.690
  204    H    ALA  22           H        ALA  22  15.880  -2.668  -4.943
  205    HA   ALA  22           HA       ALA  22  17.422  -0.719  -3.555
  206   1HB   ALA  22          1HB       ALA  22  18.228  -2.398  -5.303
  207   2HB   ALA  22          2HB       ALA  22  18.904  -0.773  -5.433
  208   3HB   ALA  22          3HB       ALA  22  17.611  -1.281  -6.520
  209    H    ARG  23           H        ARG  23  16.059   1.103  -3.138
  210    HA   ARG  23           HA       ARG  23  14.737   2.553  -5.266
  211   1HB   ARG  23          2HB       ARG  23  15.496   3.315  -2.428
  212   2HB   ARG  23          1HB       ARG  23  14.608   4.389  -3.508
  213   1HG   ARG  23          2HG       ARG  23  12.834   2.676  -3.756
  214   2HG   ARG  23          1HG       ARG  23  13.726   1.604  -2.675
  215   1HD   ARG  23          2HD       ARG  23  12.774   4.373  -1.863
  216   2HD   ARG  23          1HD       ARG  23  11.850   2.901  -1.545
  217    HE   ARG  23           HE       ARG  23  14.367   2.367  -0.486
  218   1HH1  ARG  23          1HH2      ARG  23  11.992   4.845  -0.148
  219   2HH1  ARG  23          2HH2      ARG  23  12.388   5.180   1.505
  220   1HH2  ARG  23          1HH1      ARG  23  14.903   2.811   1.683
  221   2HH2  ARG  23          2HH1      ARG  23  14.023   4.036   2.539
  222    H    TRP  24           H        TRP  24  17.929   2.736  -3.765
  223    HA   TRP  24           HA       TRP  24  19.043   5.100  -4.327
  224   1HB   TRP  24          2HB       TRP  24  20.010   2.353  -4.752
  225   2HB   TRP  24          1HB       TRP  24  20.847   3.559  -5.726
  226    HD1  TRP  24           HD       TRP  24  21.347   5.934  -4.038
  227    HE1  TRP  24           1HE      TRP  24  22.585   5.876  -1.775
  228    HE3  TRP  24           3HE      TRP  24  20.779   1.004  -2.848
  229    HZ2  TRP  24           2HZ      TRP  24  23.243   3.983   0.272
  230    HZ3  TRP  24           3HZ      TRP  24  21.716   0.098  -0.742
  231    HH2  TRP  24           HH       TRP  24  22.947   1.580   0.819
  232    HA   PRO  25           HA       PRO  25  19.243   4.577  -9.135
  233   1HB   PRO  25          2HB       PRO  25  17.829   2.483 -10.207
  234   2HB   PRO  25          1HB       PRO  25  19.542   2.375  -9.750
  235   1HG   PRO  25          2HG       PRO  25  17.122   1.539  -8.199
  236   2HG   PRO  25          1HG       PRO  25  18.628   0.647  -8.491
  237   1HD   PRO  25          2HD       PRO  25  18.253   1.905  -6.158
  238   2HD   PRO  25          1HD       PRO  25  19.848   1.939  -6.945
  239    H    TRP  26           H        TRP  26  17.190   4.120 -10.962
  240    HA   TRP  26           HA       TRP  26  15.157   6.014  -9.999
  241   1HB   TRP  26          2HB       TRP  26  15.593   4.674 -12.683
  242   2HB   TRP  26          1HB       TRP  26  14.301   5.830 -12.358
  243    HD1  TRP  26           HD       TRP  26  17.944   5.608 -13.174
  244    HE1  TRP  26           1HE      TRP  26  18.968   7.972 -13.258
  245    HE3  TRP  26           3HE      TRP  26  14.093   8.301 -11.182
  246    HZ2  TRP  26           2HZ      TRP  26  18.244  10.655 -12.567
  247    HZ3  TRP  26           3HZ      TRP  26  14.284  10.754 -10.906
  248    HH2  TRP  26           HH       TRP  26  16.352  11.935 -11.595
  249    H    ALA  27           H        ALA  27  12.939   5.516  -9.760
  250    HA   ALA  27           HA       ALA  27  11.859   2.918 -10.450
  251   1HB   ALA  27          1HB       ALA  27  11.415   2.258  -8.033
  252   2HB   ALA  27          2HB       ALA  27  12.592   3.487  -7.567
  253   3HB   ALA  27          3HB       ALA  27  13.094   2.116  -8.554
  254    H    GLU  28           H        GLU  28  10.494   3.743  -7.547
  255    HA   GLU  28           HA       GLU  28   8.424   4.719  -7.018
  256   1HB   GLU  28          2HB       GLU  28   9.522   6.792  -8.943
  257   2HB   GLU  28          1HB       GLU  28   8.125   7.043  -7.896
  258   1HG   GLU  28          2HG       GLU  28  10.888   6.295  -6.898
  259   2HG   GLU  28          1HG       GLU  28  10.257   7.941  -6.928
  260    H    LYS  29           H        LYS  29   6.746   6.300  -8.734
  261    HA   LYS  29           HA       LYS  29   5.080   6.013 -10.359
  262   1HB   LYS  29          2HB       LYS  29   6.995   4.072 -11.682
  263   2HB   LYS  29          1HB       LYS  29   5.708   5.005 -12.446
  264   1HG   LYS  29          2HG       LYS  29   8.108   6.252 -11.078
  265   2HG   LYS  29          1HG       LYS  29   8.006   5.964 -12.815
  266   1HD   LYS  29          2HD       LYS  29   5.897   7.337 -12.849
  267   2HD   LYS  29          1HD       LYS  29   6.186   7.731 -11.155
  268   1HE   LYS  29          2HE       LYS  29   8.339   8.750 -11.730
  269   2HE   LYS  29          1HE       LYS  29   8.115   8.312 -13.422
  270   1HZ   LYS  29          1HZ       LYS  29   7.476  10.579 -13.104
  271   2HZ   LYS  29          2HZ       LYS  29   6.434  10.167 -11.828
  272   3HZ   LYS  29          3HZ       LYS  29   6.077   9.671 -13.414
  273    H    LEU  30           H        LEU  30   5.601   4.035  -8.031
  274    HA   LEU  30           HA       LEU  30   4.144   1.687  -9.132
  275   1HB   LEU  30          2HB       LEU  30   5.370   2.027  -6.376
  276   2HB   LEU  30          1HB       LEU  30   4.751   0.532  -7.075
  277    HG   LEU  30           HG       LEU  30   7.089   2.133  -8.169
  278   1HD1  LEU  30          1HD1      LEU  30   7.627   1.015  -6.041
  279   2HD1  LEU  30          2HD1      LEU  30   8.434   0.203  -7.383
  280   3HD1  LEU  30          3HD1      LEU  30   6.985  -0.504  -6.668
  281   1HD2  LEU  30          1HD2      LEU  30   7.360  -0.137  -9.431
  282   2HD2  LEU  30          2HD2      LEU  30   6.141   0.999 -10.011
  283   3HD2  LEU  30          3HD2      LEU  30   5.661  -0.384  -9.026
  284    H    ILE  31           H        ILE  31   3.460   4.616  -7.727
  285    HA   ILE  31           HA       ILE  31   1.467   3.922  -5.779
  286    HB   ILE  31           HB       ILE  31   1.772   6.389  -7.523
  287   1HG1  ILE  31          2HG1      ILE  31   2.361   5.999  -4.575
  288   2HG1  ILE  31          1HG1      ILE  31   3.583   5.810  -5.832
  289   1HG2  ILE  31          1HG2      ILE  31  -0.517   6.344  -6.848
  290   2HG2  ILE  31          2HG2      ILE  31   0.291   7.405  -5.694
  291   3HG2  ILE  31          3HG2      ILE  31  -0.107   5.747  -5.240
  292   1HD1  ILE  31          1HD1      ILE  31   3.272   8.112  -6.553
  293   2HD1  ILE  31          2HD1      ILE  31   3.576   8.100  -4.816
  294   3HD1  ILE  31          3HD1      ILE  31   1.935   8.321  -5.423
  295    H    ALA  32           H        ALA  32   1.284   4.549  -9.279
  296    HA   ALA  32           HA       ALA  32  -1.420   4.631  -9.767
  297   1HB   ALA  32          1HB       ALA  32   0.725   3.090 -11.242
  298   2HB   ALA  32          2HB       ALA  32   0.078   4.685 -11.629
  299   3HB   ALA  32          3HB       ALA  32  -0.921   3.248 -11.856
  300    H    GLU  33           H        GLU  33   0.354   1.510  -9.712
  301    HA   GLU  33           HA       GLU  33  -1.923  -0.155  -9.710
  302   1HB   GLU  33          2HB       GLU  33   0.784  -0.598  -8.408
  303   2HB   GLU  33          1HB       GLU  33  -0.420  -1.864  -8.657
  304   1HG   GLU  33          2HG       GLU  33   0.963  -2.088 -10.539
  305   2HG   GLU  33          1HG       GLU  33  -0.360  -1.095 -11.150
  306    H    ARG  34           H        ARG  34  -0.135   1.199  -6.924
  307    HA   ARG  34           HA       ARG  34  -1.664  -0.028  -4.872
  308   1HB   ARG  34          2HB       ARG  34   0.472   1.399  -4.647
  309   2HB   ARG  34          1HB       ARG  34  -0.589   2.798  -4.715
  310   1HG   ARG  34          2HG       ARG  34  -1.016   0.564  -2.715
  311   2HG   ARG  34          1HG       ARG  34   0.014   1.957  -2.377
  312   1HD   ARG  34          2HD       ARG  34  -2.214   3.143  -3.363
  313   2HD   ARG  34          1HD       ARG  34  -2.914   1.771  -2.556
  314    HE   ARG  34           HE       ARG  34  -1.983   4.142  -1.230
  315   1HH1  ARG  34          1HH2      ARG  34  -1.766   0.720  -1.182
  316   2HH1  ARG  34          2HH2      ARG  34  -1.241   0.640   0.465
  317   1HH2  ARG  34          1HH1      ARG  34  -1.210   4.082   0.924
  318   2HH2  ARG  34          2HH1      ARG  34  -0.937   2.529   1.654
  319    H    ASN  35           H        ASN  35  -2.190   3.040  -6.604
  320    HA   ASN  35           HA       ASN  35  -4.487   3.873  -5.174
  321   1HB   ASN  35          2HB       ASN  35  -3.398   5.381  -6.758
  322   2HB   ASN  35          1HB       ASN  35  -3.755   4.276  -8.092
  323   1HD2  ASN  35          1HD2      ASN  35  -4.736   7.156  -7.151
  324   2HD2  ASN  35          2HD2      ASN  35  -6.416   7.064  -7.421
  325    H    SER  36           H        SER  36  -4.163   1.675  -7.954
  326    HA   SER  36           HA       SER  36  -6.847   1.281  -8.643
  327   1HB   SER  36          2HB       SER  36  -4.788  -0.923  -8.357
  328   2HB   SER  36          1HB       SER  36  -6.197  -0.929  -9.413
  329    HG   SER  36           HG       SER  36  -5.007   0.064 -10.817
  330    H    LEU  37           H        LEU  37  -5.307  -1.289  -6.751
  331    HA   LEU  37           HA       LEU  37  -7.438  -2.469  -5.562
  332   1HB   LEU  37          2HB       LEU  37  -5.075  -1.596  -3.883
  333   2HB   LEU  37          1HB       LEU  37  -6.100  -3.001  -3.623
  334    HG   LEU  37           HG       LEU  37  -4.191  -3.925  -4.608
  335   1HD1  LEU  37          1HD1      LEU  37  -4.832  -4.695  -6.784
  336   2HD1  LEU  37          2HD1      LEU  37  -5.852  -3.280  -7.052
  337   3HD1  LEU  37          3HD1      LEU  37  -6.316  -4.489  -5.852
  338   1HD2  LEU  37          1HD2      LEU  37  -2.680  -2.553  -5.541
  339   2HD2  LEU  37          2HD2      LEU  37  -3.890  -1.277  -5.689
  340   3HD2  LEU  37          3HD2      LEU  37  -3.695  -2.463  -6.979
  341    H    ALA  38           H        ALA  38  -6.166   0.708  -4.688
  342    HA   ALA  38           HA       ALA  38  -7.484   1.183  -2.262
  343   1HB   ALA  38          1HB       ALA  38  -7.437   3.407  -4.245
  344   2HB   ALA  38          2HB       ALA  38  -5.893   2.679  -3.798
  345   3HB   ALA  38          3HB       ALA  38  -6.924   3.392  -2.559
  346    H    LYS  39           H        LYS  39  -8.742   1.917  -5.532
  347    HA   LYS  39           HA       LYS  39 -11.325   2.755  -4.488
  348   1HB   LYS  39          2HB       LYS  39 -11.972   2.858  -6.873
  349   2HB   LYS  39          1HB       LYS  39 -10.421   3.651  -6.597
  350   1HG   LYS  39          2HG       LYS  39  -9.684   2.354  -8.305
  351   2HG   LYS  39          1HG       LYS  39  -9.633   1.074  -7.094
  352   1HD   LYS  39          2HD       LYS  39 -10.905   0.102  -8.808
  353   2HD   LYS  39          1HD       LYS  39 -12.140   0.715  -7.710
  354   1HE   LYS  39          2HE       LYS  39 -12.939   1.591  -9.690
  355   2HE   LYS  39          1HE       LYS  39 -11.868   2.907  -9.209
  356   1HZ   LYS  39          1HZ       LYS  39 -10.196   2.151 -10.650
  357   2HZ   LYS  39          2HZ       LYS  39 -11.629   2.072 -11.559
  358   3HZ   LYS  39          3HZ       LYS  39 -10.956   0.656 -10.902
  359    H    ASP  40           H        ASP  40 -10.151  -0.166  -6.175
  360    HA   ASP  40           HA       ASP  40 -12.653  -1.489  -6.382
  361   1HB   ASP  40          2HB       ASP  40  -9.790  -2.410  -6.257
  362   2HB   ASP  40          1HB       ASP  40 -11.092  -3.601  -6.240
  363    H    VAL  41           H        VAL  41 -10.220  -1.564  -3.771
  364    HA   VAL  41           HA       VAL  41 -11.677  -3.416  -2.118
  365    HB   VAL  41           HB       VAL  41  -9.667  -1.294  -1.297
  366   1HG1  VAL  41          1HG1      VAL  41 -10.401  -2.003   0.749
  367   2HG1  VAL  41          2HG1      VAL  41  -9.337  -3.369   0.416
  368   3HG1  VAL  41          3HG1      VAL  41 -11.067  -3.504   0.103
  369   1HG2  VAL  41          1HG2      VAL  41  -9.072  -3.123  -3.098
  370   2HG2  VAL  41          2HG2      VAL  41  -9.037  -4.205  -1.707
  371   3HG2  VAL  41          3HG2      VAL  41  -7.953  -2.815  -1.770
  372    H    ALA  42           H        ALA  42 -11.554   0.121  -2.316
  373    HA   ALA  42           HA       ALA  42 -13.053   0.862  -0.090
  374   1HB   ALA  42          1HB       ALA  42 -13.071   2.881  -1.111
  375   2HB   ALA  42          2HB       ALA  42 -13.989   2.253  -2.479
  376   3HB   ALA  42          3HB       ALA  42 -12.231   2.105  -2.455
  377    H    GLU  43           H        GLU  43 -14.298  -0.235  -3.246
  378    HA   GLU  43           HA       GLU  43 -17.063  -0.111  -2.701
  379   1HB   GLU  43          2HB       GLU  43 -16.083  -0.696  -4.917
  380   2HB   GLU  43          1HB       GLU  43 -15.595  -2.261  -4.267
  381   1HG   GLU  43          2HG       GLU  43 -17.944  -2.826  -3.813
  382   2HG   GLU  43          1HG       GLU  43 -18.447  -1.244  -4.408
  383    H    ILE  44           H        ILE  44 -14.975  -3.007  -2.374
  384    HA   ILE  44           HA       ILE  44 -16.786  -4.664  -1.017
  385    HB   ILE  44           HB       ILE  44 -13.840  -4.480  -0.362
  386   1HG1  ILE  44          2HG1      ILE  44 -13.976  -4.557  -2.769
  387   2HG1  ILE  44          1HG1      ILE  44 -13.579  -6.181  -2.214
  388   1HG2  ILE  44          1HG2      ILE  44 -14.041  -6.822   0.168
  389   2HG2  ILE  44          2HG2      ILE  44 -15.690  -6.876  -0.456
  390   3HG2  ILE  44          3HG2      ILE  44 -15.332  -5.970   1.016
  391   1HD1  ILE  44          1HD1      ILE  44 -15.289  -6.513  -3.813
  392   2HD1  ILE  44          2HD1      ILE  44 -16.227  -5.143  -3.219
  393   3HD1  ILE  44          3HD1      ILE  44 -16.121  -6.621  -2.261
  394    H    LYS  45           H        LYS  45 -14.723  -2.082   0.274
  395    HA   LYS  45           HA       LYS  45 -15.147  -2.622   3.053
  396   1HB   LYS  45          2HB       LYS  45 -14.598   0.007   1.625
  397   2HB   LYS  45          1HB       LYS  45 -14.531  -0.211   3.374
  398   1HG   LYS  45          2HG       LYS  45 -12.965  -2.298   2.386
  399   2HG   LYS  45          1HG       LYS  45 -12.555  -0.930   1.348
  400   1HD   LYS  45          2HD       LYS  45 -12.210   0.457   3.418
  401   2HD   LYS  45          1HD       LYS  45 -12.445  -1.003   4.379
  402   1HE   LYS  45          2HE       LYS  45 -10.095  -0.843   4.141
  403   2HE   LYS  45          1HE       LYS  45 -10.570  -2.032   2.928
  404   1HZ   LYS  45          1HZ       LYS  45  -9.938   0.833   2.503
  405   2HZ   LYS  45          2HZ       LYS  45 -10.672  -0.139   1.319
  406   3HZ   LYS  45          3HZ       LYS  45  -9.115  -0.513   1.883
  407    H    ASN  46           H        ASN  46 -16.896  -0.530   0.763
  408    HA   ASN  46           HA       ASN  46 -18.833   0.452   2.630
  409   1HB   ASN  46          2HB       ASN  46 -18.506   1.523   0.466
  410   2HB   ASN  46          1HB       ASN  46 -18.973   0.045  -0.372
  411   1HD2  ASN  46          1HD2      ASN  46 -20.412   1.950   2.343
  412   2HD2  ASN  46          2HD2      ASN  46 -21.969   2.006   1.670
  413    H    GLN  47           H        GLN  47 -18.750  -2.392   0.510
  414    HA   GLN  47           HA       GLN  47 -21.425  -3.267   1.183
  415   1HB   GLN  47          2HB       GLN  47 -21.041  -4.807  -0.426
  416   2HB   GLN  47          1HB       GLN  47 -19.488  -4.014  -0.683
  417   1HG   GLN  47          2HG       GLN  47 -18.514  -5.487   1.103
  418   2HG   GLN  47          1HG       GLN  47 -20.047  -6.355   1.155
  419   1HE2  GLN  47          1HE2      GLN  47 -18.213  -8.088   0.457
  420   2HE2  GLN  47          2HE2      GLN  47 -18.082  -8.327  -1.218
  421    H    LEU  48           H        LEU  48 -18.446  -3.304   2.844
  422    HA   LEU  48           HA       LEU  48 -19.161  -5.627   4.537
  423   1HB   LEU  48          2HB       LEU  48 -16.776  -3.760   4.444
  424   2HB   LEU  48          1HB       LEU  48 -17.023  -4.883   5.781
  425    HG   LEU  48           HG       LEU  48 -17.058  -5.829   2.913
  426   1HD1  LEU  48          1HD1      LEU  48 -14.631  -6.549   3.520
  427   2HD1  LEU  48          2HD1      LEU  48 -14.719  -5.275   4.736
  428   3HD1  LEU  48          3HD1      LEU  48 -14.901  -4.877   3.027
  429   1HD2  LEU  48          1HD2      LEU  48 -16.682  -7.097   5.638
  430   2HD2  LEU  48          2HD2      LEU  48 -16.235  -7.930   4.149
  431   3HD2  LEU  48          3HD2      LEU  48 -17.912  -7.465   4.428
  432    H    GLY  49           H        GLY  49 -20.151  -2.520   4.331
  433   1HA   GLY  49          2HA       GLY  49 -21.181  -1.035   5.816
  434   2HA   GLY  49          1HA       GLY  49 -21.462  -2.447   6.831
  435    H    ILE  50           H        ILE  50 -18.501  -0.617   5.893
  436    HA   ILE  50           HA       ILE  50 -18.101   0.064   8.744
  437    HB   ILE  50           HB       ILE  50 -15.648  -0.727   8.494
  438   1HG1  ILE  50          2HG1      ILE  50 -15.527  -2.812   7.036
  439   2HG1  ILE  50          1HG1      ILE  50 -17.028  -2.272   6.283
  440   1HG2  ILE  50          1HG2      ILE  50 -16.263  -2.971   9.310
  441   2HG2  ILE  50          2HG2      ILE  50 -17.904  -2.743   8.703
  442   3HG2  ILE  50          3HG2      ILE  50 -17.302  -1.735  10.020
  443   1HD1  ILE  50          1HD1      ILE  50 -16.006  -0.546   5.175
  444   2HD1  ILE  50          2HD1      ILE  50 -14.581  -1.570   5.358
  445   3HD1  ILE  50          3HD1      ILE  50 -14.866  -0.245   6.486
  446    HA   PRO  51           HA       PRO  51 -16.458   3.848   7.277
  447   1HB   PRO  51          2HB       PRO  51 -14.112   3.341   9.076
  448   2HB   PRO  51          1HB       PRO  51 -15.160   4.771   8.966
  449   1HG   PRO  51          2HG       PRO  51 -15.479   3.116  10.964
  450   2HG   PRO  51          1HG       PRO  51 -16.908   3.723  10.103
  451   1HD   PRO  51          2HD       PRO  51 -15.570   1.033   9.850
  452   2HD   PRO  51          1HD       PRO  51 -17.304   1.413   9.947
  453    H    ILE  52           H        ILE  52 -15.119   4.606   5.658
  454    HA   ILE  52           HA       ILE  52 -13.593   2.784   4.080
  455    HB   ILE  52           HB       ILE  52 -13.364   5.811   4.176
  456   1HG1  ILE  52          2HG1      ILE  52 -15.169   4.073   2.467
  457   2HG1  ILE  52          1HG1      ILE  52 -15.707   4.953   3.896
  458   1HG2  ILE  52          1HG2      ILE  52 -11.567   4.768   2.896
  459   2HG2  ILE  52          2HG2      ILE  52 -12.714   5.507   1.778
  460   3HG2  ILE  52          3HG2      ILE  52 -12.727   3.762   2.031
  461   1HD1  ILE  52          1HD1      ILE  52 -16.054   6.110   1.622
  462   2HD1  ILE  52          2HD1      ILE  52 -14.306   6.346   1.610
  463   3HD1  ILE  52          3HD1      ILE  52 -15.284   7.061   2.892
  464    H    ASN  53           H        ASN  53 -12.600   5.220   6.486
  465    HA   ASN  53           HA       ASN  53  -9.789   4.731   6.186
  466   1HB   ASN  53          2HB       ASN  53  -9.498   6.198   7.967
  467   2HB   ASN  53          1HB       ASN  53 -11.123   6.658   7.455
  468   1HD2  ASN  53          1HD2      ASN  53  -9.314   5.491  10.123
  469   2HD2  ASN  53          2HD2      ASN  53 -10.623   5.046  11.117
  470    H    ASP  54           H        ASP  54  -8.607   3.032   6.889
  471    HA   ASP  54           HA       ASP  54  -9.713   1.372   9.102
  472   1HB   ASP  54          2HB       ASP  54 -10.112   0.429   6.743
  473   2HB   ASP  54          1HB       ASP  54  -8.371   0.168   6.691
  474    HA   PRO  55           HA       PRO  55  -5.241   2.927   9.727
  475   1HB   PRO  55          2HB       PRO  55  -5.842   2.689  12.506
  476   2HB   PRO  55          1HB       PRO  55  -5.714   4.193  11.574
  477   1HG   PRO  55          2HG       PRO  55  -8.125   2.600  12.276
  478   2HG   PRO  55          1HG       PRO  55  -7.924   4.356  12.141
  479   1HD   PRO  55          2HD       PRO  55  -9.221   3.101  10.225
  480   2HD   PRO  55          1HD       PRO  55  -7.994   4.305   9.769
  481    H    GLU  56           H        GLU  56  -6.881   0.735  12.024
  482    HA   GLU  56           HA       GLU  56  -5.034  -1.040  12.798
  483   1HB   GLU  56          2HB       GLU  56  -6.809  -2.876  11.844
  484   2HB   GLU  56          1HB       GLU  56  -7.075  -1.939  13.313
  485   1HG   GLU  56          2HG       GLU  56  -8.375  -0.292  12.113
  486   2HG   GLU  56          1HG       GLU  56  -7.958  -1.020  10.561
  487    H    ARG  57           H        ARG  57  -6.602  -1.617   9.638
  488    HA   ARG  57           HA       ARG  57  -4.735  -3.451   8.610
  489   1HB   ARG  57          2HB       ARG  57  -6.633  -3.197   7.270
  490   2HB   ARG  57          1HB       ARG  57  -6.581  -1.439   7.364
  491   1HG   ARG  57          2HG       ARG  57  -5.940  -2.099   5.123
  492   2HG   ARG  57          1HG       ARG  57  -4.512  -1.474   5.942
  493   1HD   ARG  57          2HD       ARG  57  -3.714  -3.706   6.386
  494   2HD   ARG  57          1HD       ARG  57  -5.214  -4.401   5.773
  495    HE   ARG  57           HE       ARG  57  -4.409  -3.082   3.569
  496   1HH1  ARG  57          1HH2      ARG  57  -2.738  -5.073   5.849
  497   2HH1  ARG  57          2HH2      ARG  57  -1.649  -5.743   4.665
  498   1HH2  ARG  57          1HH1      ARG  57  -2.955  -3.914   2.031
  499   2HH2  ARG  57          2HH1      ARG  57  -1.783  -5.095   2.517
  500    H    GLU  58           H        GLU  58  -4.696   0.109   8.425
  501    HA   GLU  58           HA       GLU  58  -2.258   0.321   6.934
  502   1HB   GLU  58          2HB       GLU  58  -3.373   2.269   8.982
  503   2HB   GLU  58          1HB       GLU  58  -2.223   2.643   7.697
  504   1HG   GLU  58          2HG       GLU  58  -3.903   2.049   5.997
  505   2HG   GLU  58          1HG       GLU  58  -5.056   1.640   7.269
  506    H    LYS  59           H        LYS  59  -2.943   0.143  10.426
  507    HA   LYS  59           HA       LYS  59  -0.275   0.578  11.352
  508   1HB   LYS  59          2HB       LYS  59  -2.770  -0.612  12.448
  509   2HB   LYS  59          1HB       LYS  59  -1.275  -1.155  13.208
  510   1HG   LYS  59          2HG       LYS  59  -2.121   0.819  14.385
  511   2HG   LYS  59          1HG       LYS  59  -0.622   1.229  13.553
  512   1HD   LYS  59          2HD       LYS  59  -2.040   2.068  11.626
  513   2HD   LYS  59          1HD       LYS  59  -3.446   1.871  12.671
  514   1HE   LYS  59          2HE       LYS  59  -2.695   4.175  12.830
  515   2HE   LYS  59          1HE       LYS  59  -2.334   3.365  14.354
  516   1HZ   LYS  59          1HZ       LYS  59  -0.396   3.705  12.131
  517   2HZ   LYS  59          2HZ       LYS  59  -0.072   3.066  13.672
  518   3HZ   LYS  59          3HZ       LYS  59  -0.474   4.709  13.497
  519    H    TYR  60           H        TYR  60  -2.011  -2.374  10.404
  520    HA   TYR  60           HA       TYR  60  -0.035  -4.299  10.999
  521   1HB   TYR  60          2HB       TYR  60  -2.291  -4.916  10.273
  522   2HB   TYR  60          1HB       TYR  60  -1.999  -4.208   8.686
  523    HD1  TYR  60           1HD      TYR  60  -1.622  -7.136  10.769
  524    HD2  TYR  60           2HD      TYR  60  -0.158  -5.198   7.224
  525    HE1  TYR  60           1HE      TYR  60  -0.685  -9.292   9.978
  526    HE2  TYR  60           2HE      TYR  60   0.784  -7.354   6.437
  527    HH   TYR  60           HH       TYR  60   0.917 -10.162   8.486
  528    H    ILE  61           H        ILE  61  -0.393  -2.188   8.169
  529    HA   ILE  61           HA       ILE  61   1.716  -3.308   6.591
  530    HB   ILE  61           HB       ILE  61   0.426  -0.585   6.728
  531   1HG1  ILE  61          2HG1      ILE  61  -0.576  -2.747   5.629
  532   2HG1  ILE  61          1HG1      ILE  61  -0.649  -1.222   4.748
  533   1HG2  ILE  61          1HG2      ILE  61   2.844  -1.446   5.144
  534   2HG2  ILE  61          2HG2      ILE  61   2.620   0.019   6.101
  535   3HG2  ILE  61          3HG2      ILE  61   1.775  -0.169   4.565
  536   1HD1  ILE  61          1HD1      ILE  61   1.009  -1.843   3.249
  537   2HD1  ILE  61          2HD1      ILE  61   0.248  -3.405   3.550
  538   3HD1  ILE  61          3HD1      ILE  61   1.748  -2.980   4.376
  539    H    TYR  62           H        TYR  62   1.695  -0.716   9.042
  540    HA   TYR  62           HA       TYR  62   4.340   0.197   8.816
  541   1HB   TYR  62          2HB       TYR  62   2.419  -0.064  11.119
  542   2HB   TYR  62          1HB       TYR  62   4.090   0.389  11.459
  543    HD1  TYR  62           1HD      TYR  62   1.670   1.230   8.693
  544    HD2  TYR  62           2HD      TYR  62   4.299   2.687  11.766
  545    HE1  TYR  62           1HE      TYR  62   1.172   3.566   8.019
  546    HE2  TYR  62           2HE      TYR  62   3.801   5.019  11.087
  547    HH   TYR  62           HH       TYR  62   1.230   5.809   8.978
  548    H    ASP  63           H        ASP  63   3.113  -2.607  10.638
  549    HA   ASP  63           HA       ASP  63   5.695  -3.471  11.575
  550   1HB   ASP  63          2HB       ASP  63   3.390  -4.155  12.472
  551   2HB   ASP  63          1HB       ASP  63   3.290  -5.244  11.088
  552    H    ARG  64           H        ARG  64   3.818  -4.054   8.648
  553    HA   ARG  64           HA       ARG  64   5.385  -6.235   7.618
  554   1HB   ARG  64          2HB       ARG  64   3.115  -5.609   6.754
  555   2HB   ARG  64          1HB       ARG  64   3.812  -4.149   6.058
  556   1HG   ARG  64          2HG       ARG  64   5.489  -5.818   4.912
  557   2HG   ARG  64          1HG       ARG  64   4.243  -7.012   5.257
  558   1HD   ARG  64          2HD       ARG  64   3.662  -4.433   3.799
  559   2HD   ARG  64          1HD       ARG  64   4.059  -5.934   2.964
  560    HE   ARG  64           HE       ARG  64   1.515  -5.212   4.199
  561   1HH1  ARG  64          1HH2      ARG  64   3.656  -7.741   3.696
  562   2HH1  ARG  64          2HH2      ARG  64   2.450  -8.974   3.684
  563   1HH2  ARG  64          1HH1      ARG  64  -0.157  -6.749   4.241
  564   2HH2  ARG  64          2HH1      ARG  64   0.258  -8.420   3.998
  565    H    ILE  65           H        ILE  65   5.504  -2.720   6.983
  566    HA   ILE  65           HA       ILE  65   7.694  -2.802   5.163
  567    HB   ILE  65           HB       ILE  65   7.008  -0.570   7.099
  568   1HG1  ILE  65          2HG1      ILE  65   5.011  -1.175   5.838
  569   2HG1  ILE  65          1HG1      ILE  65   5.660   0.331   5.191
  570   1HG2  ILE  65          1HG2      ILE  65   8.590  -0.731   4.534
  571   2HG2  ILE  65          2HG2      ILE  65   9.108  -0.106   6.098
  572   3HG2  ILE  65          3HG2      ILE  65   7.939   0.795   5.132
  573   1HD1  ILE  65          1HD1      ILE  65   5.201  -0.939   3.262
  574   2HD1  ILE  65          2HD1      ILE  65   5.783  -2.435   3.993
  575   3HD1  ILE  65          3HD1      ILE  65   6.928  -1.184   3.511
  576    H    ARG  66           H        ARG  66   7.633  -2.452   8.718
  577    HA   ARG  66           HA       ARG  66  10.415  -1.971   9.087
  578   1HB   ARG  66          2HB       ARG  66   8.353  -3.301  10.875
  579   2HB   ARG  66          1HB       ARG  66  10.012  -3.019  11.389
  580   1HG   ARG  66          2HG       ARG  66   9.737  -0.608  10.994
  581   2HG   ARG  66          1HG       ARG  66   8.077  -0.875  10.468
  582   1HD   ARG  66          2HD       ARG  66   9.044  -1.763  13.177
  583   2HD   ARG  66          1HD       ARG  66   8.417  -0.146  12.910
  584    HE   ARG  66           HE       ARG  66   6.539  -2.051  11.887
  585   1HH1  ARG  66          1HH2      ARG  66   7.964  -1.199  14.827
  586   2HH1  ARG  66          2HH2      ARG  66   6.673  -1.856  15.803
  587   1HH2  ARG  66          1HH1      ARG  66   4.825  -2.903  13.068
  588   2HH2  ARG  66          2HH1      ARG  66   4.900  -2.842  14.800
  589    H    LYS  67           H        LYS  67   8.598  -5.023   8.829
  590    HA   LYS  67           HA       LYS  67  10.868  -6.727   9.382
  591   1HB   LYS  67          2HB       LYS  67   8.491  -7.456   9.603
  592   2HB   LYS  67          1HB       LYS  67   8.328  -7.378   7.851
  593   1HG   LYS  67          2HG       LYS  67  10.117  -9.069   7.609
  594   2HG   LYS  67          1HG       LYS  67  10.273  -9.153   9.364
  595   1HD   LYS  67          2HD       LYS  67   7.910  -9.879   9.535
  596   2HD   LYS  67          1HD       LYS  67   7.771  -9.820   7.778
  597   1HE   LYS  67          2HE       LYS  67   9.531 -11.533   7.570
  598   2HE   LYS  67          1HE       LYS  67   9.697 -11.584   9.324
  599   1HZ   LYS  67          1HZ       LYS  67   7.940 -12.911   9.491
  600   2HZ   LYS  67          2HZ       LYS  67   7.979 -13.084   7.801
  601   3HZ   LYS  67          3HZ       LYS  67   6.984 -11.906   8.516
  602    H    LEU  68           H        LEU  68   9.250  -5.804   6.314
  603    HA   LEU  68           HA       LEU  68  11.144  -7.137   4.613
  604   1HB   LEU  68          2HB       LEU  68   9.456  -4.679   4.044
  605   2HB   LEU  68          1HB       LEU  68  10.266  -5.663   2.828
  606    HG   LEU  68           HG       LEU  68   8.161  -6.712   4.745
  607   1HD1  LEU  68          1HD1      LEU  68   6.611  -6.586   2.893
  608   2HD1  LEU  68          2HD1      LEU  68   7.893  -6.077   1.795
  609   3HD1  LEU  68          3HD1      LEU  68   7.348  -4.994   3.073
  610   1HD2  LEU  68          1HD2      LEU  68   8.141  -8.511   2.845
  611   2HD2  LEU  68          2HD2      LEU  68   9.434  -8.564   4.043
  612   3HD2  LEU  68          3HD2      LEU  68   9.736  -7.871   2.449
  613    H    CYS  69           H        CYS  69  11.155  -4.046   6.263
  614    HA   CYS  69           HA       CYS  69  13.182  -2.736   4.734
  615   1HB   CYS  69          2HB       CYS  69  12.121  -2.458   7.526
  616   2HB   CYS  69          1HB       CYS  69  13.591  -1.590   7.079
  617    HG   CYS  69           HG       CYS  69  11.895   0.065   6.246
  618    H    LYS  70           H        LYS  70  13.432  -4.690   7.715
  619    HA   LYS  70           HA       LYS  70  16.301  -4.580   7.848
  620   1HB   LYS  70          2HB       LYS  70  14.476  -6.757   8.905
  621   2HB   LYS  70          1HB       LYS  70  16.113  -6.401   9.450
  622   1HG   LYS  70          2HG       LYS  70  13.715  -4.554   9.694
  623   2HG   LYS  70          1HG       LYS  70  14.474  -5.447  11.011
  624   1HD   LYS  70          2HD       LYS  70  16.648  -4.225  10.331
  625   2HD   LYS  70          1HD       LYS  70  15.593  -3.136   9.429
  626   1HE   LYS  70          2HE       LYS  70  14.333  -2.624  11.476
  627   2HE   LYS  70          1HE       LYS  70  15.338  -3.751  12.389
  628   1HZ   LYS  70          1HZ       LYS  70  17.082  -2.342  12.394
  629   2HZ   LYS  70          2HZ       LYS  70  15.863  -1.169  12.230
  630   3HZ   LYS  70          3HZ       LYS  70  16.727  -1.696  10.866
  631    H    GLU  71           H        GLU  71  14.022  -6.717   6.213
  632    HA   GLU  71           HA       GLU  71  15.859  -8.821   5.577
  633   1HB   GLU  71          2HB       GLU  71  13.313  -7.889   4.235
  634   2HB   GLU  71          1HB       GLU  71  14.205  -9.318   3.717
  635   1HG   GLU  71          2HG       GLU  71  13.941 -10.326   5.923
  636   2HG   GLU  71          1HG       GLU  71  13.150  -8.868   6.519
  637    H    HIS  72           H        HIS  72  14.642  -6.204   3.434
  638    HA   HIS  72           HA       HIS  72  16.711  -6.799   1.461
  639   1HB   HIS  72          2HB       HIS  72  14.857  -4.409   1.587
  640   2HB   HIS  72          1HB       HIS  72  15.728  -5.001   0.175
  641    HD1  HIS  72           1HD      HIS  72  15.095  -7.656  -0.421
  642    HD2  HIS  72           2HD      HIS  72  12.301  -5.450   1.753
  643    HE1  HIS  72           1HE      HIS  72  12.883  -8.874  -0.650
  644    HE2  HIS  72           2HE      HIS  72  11.177  -7.539   0.669
  645    H    ASN  73           H        ASN  73  16.988  -5.417   4.375
  646    HA   ASN  73           HA       ASN  73  18.282  -3.640   5.279
  647   1HB   ASN  73          2HB       ASN  73  20.072  -5.024   3.268
  648   2HB   ASN  73          1HB       ASN  73  20.668  -3.822   4.420
  649   1HD2  ASN  73          1HD2      ASN  73  19.157  -4.482   6.723
  650   2HD2  ASN  73          2HD2      ASN  73  19.542  -6.062   7.229
  651    H    VAL  74           H        VAL  74  16.621  -2.820   2.949
  652    HA   VAL  74           HA       VAL  74  18.246  -1.141   1.244
  653    HB   VAL  74           HB       VAL  74  16.007  -1.950   0.576
  654   1HG1  VAL  74          1HG1      VAL  74  14.024  -1.254   1.640
  655   2HG1  VAL  74          2HG1      VAL  74  14.831   0.077   2.468
  656   3HG1  VAL  74          3HG1      VAL  74  15.112  -1.584   2.989
  657   1HG2  VAL  74          1HG2      VAL  74  15.206   0.158  -0.369
  658   2HG2  VAL  74          2HG2      VAL  74  16.968   0.128  -0.415
  659   3HG2  VAL  74          3HG2      VAL  74  16.133   1.072   0.821
  660    H    ASP  75           H        ASP  75  16.161  -0.474   4.072
  661    HA   ASP  75           HA       ASP  75  17.891   1.620   5.027
  662   1HB   ASP  75          2HB       ASP  75  15.526   2.384   3.345
  663   2HB   ASP  75          1HB       ASP  75  15.990   3.413   4.700
  664    H    GLU  76           H        GLU  76  15.979   3.177   6.403
  665    HA   GLU  76           HA       GLU  76  14.367   1.187   7.927
  666   1HB   GLU  76          2HB       GLU  76  16.384   3.127   9.092
  667   2HB   GLU  76          1HB       GLU  76  15.164   2.294  10.056
  668   1HG   GLU  76          2HG       GLU  76  16.055   0.119   9.353
  669   2HG   GLU  76          1HG       GLU  76  17.242   0.922   8.325
  670    H    ASN  77           H        ASN  77  14.479   3.874   9.766
  671    HA   ASN  77           HA       ASN  77  11.881   4.719   9.524
  672   1HB   ASN  77          2HB       ASN  77  12.709   7.028  10.200
  673   2HB   ASN  77          1HB       ASN  77  13.235   5.696  11.229
  674   1HD2  ASN  77          1HD2      ASN  77  14.326   8.137   8.942
  675   2HD2  ASN  77          2HD2      ASN  77  15.986   7.813   9.100
  676    H    ILE  78           H        ILE  78  14.550   5.777   7.407
  677    HA   ILE  78           HA       ILE  78  13.280   7.855   6.031
  678    HB   ILE  78           HB       ILE  78  14.927   5.736   4.634
  679   1HG1  ILE  78          2HG1      ILE  78  16.612   7.816   5.474
  680   2HG1  ILE  78          1HG1      ILE  78  15.624   7.442   6.887
  681   1HG2  ILE  78          1HG2      ILE  78  13.962   7.475   3.202
  682   2HG2  ILE  78          2HG2      ILE  78  15.702   7.721   3.345
  683   3HG2  ILE  78          3HG2      ILE  78  14.593   8.730   4.270
  684   1HD1  ILE  78          1HD1      ILE  78  17.306   5.506   5.275
  685   2HD1  ILE  78          2HD1      ILE  78  16.172   5.006   6.529
  686   3HD1  ILE  78          3HD1      ILE  78  17.565   6.003   6.947
  687    H    GLY  79           H        GLY  79  13.223   4.408   5.041
  688   1HA   GLY  79          2HA       GLY  79  11.342   4.758   2.939
  689   2HA   GLY  79          1HA       GLY  79  11.649   3.232   3.764
  690    H    ILE  80           H        ILE  80  10.838   3.976   6.378
  691    HA   ILE  80           HA       ILE  80   8.030   3.499   6.209
  692    HB   ILE  80           HB       ILE  80   9.715   4.557   8.490
  693   1HG1  ILE  80          2HG1      ILE  80   8.545   1.802   8.007
  694   2HG1  ILE  80          1HG1      ILE  80  10.199   2.246   7.588
  695   1HG2  ILE  80          1HG2      ILE  80   7.479   5.202   8.995
  696   2HG2  ILE  80          2HG2      ILE  80   7.729   3.687   9.862
  697   3HG2  ILE  80          3HG2      ILE  80   6.820   3.700   8.349
  698   1HD1  ILE  80          1HD1      ILE  80  10.438   3.002  10.037
  699   2HD1  ILE  80          2HD1      ILE  80  10.369   1.264   9.745
  700   3HD1  ILE  80          3HD1      ILE  80   8.941   2.116  10.332
  701    H    LYS  81           H        LYS  81   9.839   6.514   6.800
  702    HA   LYS  81           HA       LYS  81   7.639   8.214   7.336
  703   1HB   LYS  81          2HB       LYS  81  10.231   8.816   5.892
  704   2HB   LYS  81          1HB       LYS  81   9.101  10.043   6.461
  705   1HG   LYS  81          2HG       LYS  81  10.177   7.960   8.354
  706   2HG   LYS  81          1HG       LYS  81  11.111   9.410   7.987
  707   1HD   LYS  81          2HD       LYS  81   9.183  10.810   8.672
  708   2HD   LYS  81          1HD       LYS  81   8.287   9.351   9.096
  709   1HE   LYS  81          2HE       LYS  81  10.005   8.766  10.763
  710   2HE   LYS  81          1HE       LYS  81  10.933  10.200  10.320
  711   1HZ   LYS  81          1HZ       LYS  81   8.814  10.005  12.141
  712   2HZ   LYS  81          2HZ       LYS  81   8.301  10.988  10.855
  713   3HZ   LYS  81          3HZ       LYS  81   9.710  11.380  11.718
  714    H    ILE  82           H        ILE  82   9.051   7.276   4.193
  715    HA   ILE  82           HA       ILE  82   7.327   8.959   2.611
  716    HB   ILE  82           HB       ILE  82   9.072   6.579   2.072
  717   1HG1  ILE  82          2HG1      ILE  82  10.304   8.177   0.746
  718   2HG1  ILE  82          1HG1      ILE  82   8.995   9.355   0.855
  719   1HG2  ILE  82          1HG2      ILE  82   6.959   7.769   0.277
  720   2HG2  ILE  82          2HG2      ILE  82   7.331   6.069   0.568
  721   3HG2  ILE  82          3HG2      ILE  82   8.421   7.055  -0.405
  722   1HD1  ILE  82          1HD1      ILE  82  11.032   9.647   2.444
  723   2HD1  ILE  82          2HD1      ILE  82  10.330   8.303   3.346
  724   3HD1  ILE  82          3HD1      ILE  82   9.415   9.794   3.131
  725    H    PHE  83           H        PHE  83   7.089   5.545   3.618
  726    HA   PHE  83           HA       PHE  83   4.880   4.741   2.097
  727   1HB   PHE  83          2HB       PHE  83   6.034   3.984   4.716
  728   2HB   PHE  83          1HB       PHE  83   4.346   3.530   4.483
  729    HD1  PHE  83           1HD      PHE  83   7.746   2.681   3.770
  730    HD2  PHE  83           2HD      PHE  83   3.743   2.339   2.249
  731    HE1  PHE  83           1HE      PHE  83   8.451   0.778   2.344
  732    HE2  PHE  83           2HE      PHE  83   4.450   0.438   0.820
  733    HZ   PHE  83           HZ       PHE  83   6.804  -0.342   0.868
  734    H    GLN  84           H        GLN  84   4.758   6.256   5.342
  735    HA   GLN  84           HA       GLN  84   2.032   6.464   5.740
  736   1HB   GLN  84          2HB       GLN  84   3.958   7.383   7.175
  737   2HB   GLN  84          1HB       GLN  84   3.874   8.825   6.166
  738   1HG   GLN  84          2HG       GLN  84   1.482   7.678   7.630
  739   2HG   GLN  84          1HG       GLN  84   2.512   8.946   8.301
  740   1HE2  GLN  84          1HE2      GLN  84  -0.372   9.148   7.448
  741   2HE2  GLN  84          2HE2      GLN  84  -0.409  10.379   6.273
  742    H    ARG  85           H        ARG  85   4.028   8.625   3.721
  743    HA   ARG  85           HA       ARG  85   1.987  10.399   2.889
  744   1HB   ARG  85          2HB       ARG  85   4.436  10.679   2.404
  745   2HB   ARG  85          1HB       ARG  85   4.314   9.389   1.212
  746   1HG   ARG  85          2HG       ARG  85   2.635  10.721  -0.045
  747   2HG   ARG  85          1HG       ARG  85   2.786  12.022   1.141
  748   1HD   ARG  85          2HD       ARG  85   5.102  10.956  -0.510
  749   2HD   ARG  85          1HD       ARG  85   4.162  12.362  -0.939
  750    HE   ARG  85           HE       ARG  85   5.069  12.761   1.719
  751   1HH1  ARG  85          1HH2      ARG  85   6.311  12.278  -1.471
  752   2HH1  ARG  85          2HH2      ARG  85   7.837  13.035  -1.146
  753   1HH2  ARG  85          1HH1      ARG  85   7.091  13.808   2.144
  754   2HH2  ARG  85          2HH1      ARG  85   8.275  13.884   0.881
  755    H    LEU  86           H        LEU  86   2.979   7.250   1.543
  756    HA   LEU  86           HA       LEU  86   1.144   7.255  -0.668
  757   1HB   LEU  86          2HB       LEU  86   2.660   5.126   0.820
  758   2HB   LEU  86          1HB       LEU  86   1.451   4.663  -0.373
  759    HG   LEU  86           HG       LEU  86   2.616   6.112  -2.043
  760   1HD1  LEU  86          1HD1      LEU  86   4.596   6.391   0.232
  761   2HD1  LEU  86          2HD1      LEU  86   3.732   7.684  -0.599
  762   3HD1  LEU  86          3HD1      LEU  86   4.982   6.775  -1.446
  763   1HD2  LEU  86          1HD2      LEU  86   4.346   3.999  -0.726
  764   2HD2  LEU  86          2HD2      LEU  86   4.529   4.588  -2.378
  765   3HD2  LEU  86          3HD2      LEU  86   3.083   3.689  -1.916
  766    H    ILE  87           H        ILE  87   0.842   6.271   2.715
  767    HA   ILE  87           HA       ILE  87  -1.611   4.822   2.491
  768    HB   ILE  87           HB       ILE  87  -0.696   6.505   4.841
  769   1HG1  ILE  87          2HG1      ILE  87   1.124   5.033   4.158
  770   2HG1  ILE  87          1HG1      ILE  87   0.380   4.382   5.619
  771   1HG2  ILE  87          1HG2      ILE  87  -1.906   4.625   6.079
  772   2HG2  ILE  87          2HG2      ILE  87  -2.577   4.161   4.516
  773   3HG2  ILE  87          3HG2      ILE  87  -2.932   5.752   5.191
  774   1HD1  ILE  87          1HD1      ILE  87  -1.107   3.021   3.954
  775   2HD1  ILE  87          2HD1      ILE  87   0.544   2.482   4.255
  776   3HD1  ILE  87          3HD1      ILE  87   0.165   3.382   2.787
  777    H    GLU  88           H        GLU  88  -0.968   8.282   3.047
  778    HA   GLU  88           HA       GLU  88  -3.686   9.082   3.432
  779   1HB   GLU  88          2HB       GLU  88  -1.323  10.598   2.282
  780   2HB   GLU  88          1HB       GLU  88  -2.852  11.343   2.745
  781   1HG   GLU  88          2HG       GLU  88  -1.081   9.756   4.630
  782   2HG   GLU  88          1HG       GLU  88  -1.109  11.517   4.529
  783    H    HIS  89           H        HIS  89  -1.668   8.983   0.488
  784    HA   HIS  89           HA       HIS  89  -3.638   9.951  -1.318
  785   1HB   HIS  89          2HB       HIS  89  -2.021   9.592  -2.859
  786   2HB   HIS  89          1HB       HIS  89  -1.011   9.114  -1.500
  787    HD1  HIS  89           1HD      HIS  89  -0.314   6.683  -1.359
  788    HD2  HIS  89           2HD      HIS  89  -3.246   7.334  -4.256
  789    HE1  HIS  89           1HE      HIS  89  -0.489   4.538  -2.698
  790    HE2  HIS  89           2HE      HIS  89  -2.270   4.924  -4.462
  791    H    ASN  90           H        ASN  90  -3.229   6.841   0.195
  792    HA   ASN  90           HA       ASN  90  -4.897   5.320  -1.615
  793   1HB   ASN  90          2HB       ASN  90  -3.208   4.508   0.219
  794   2HB   ASN  90          1HB       ASN  90  -4.576   4.688   1.317
  795   1HD2  ASN  90          1HD2      ASN  90  -6.728   3.643   0.229
  796   2HD2  ASN  90          2HD2      ASN  90  -6.490   2.090  -0.415
  797    H    LYS  91           H        LYS  91  -5.477   6.942   1.516
  798    HA   LYS  91           HA       LYS  91  -8.302   6.336   1.598
  799   1HB   LYS  91          2HB       LYS  91  -6.610   8.440   2.988
  800   2HB   LYS  91          1HB       LYS  91  -8.328   8.214   3.313
  801   1HG   LYS  91          2HG       LYS  91  -7.948   5.934   4.057
  802   2HG   LYS  91          1HG       LYS  91  -6.254   6.017   3.577
  803   1HD   LYS  91          2HD       LYS  91  -6.507   6.349   6.017
  804   2HD   LYS  91          1HD       LYS  91  -5.858   7.792   5.241
  805   1HE   LYS  91          2HE       LYS  91  -7.817   8.056   6.954
  806   2HE   LYS  91          1HE       LYS  91  -7.877   8.970   5.448
  807   1HZ   LYS  91          1HZ       LYS  91  -9.981   7.928   5.790
  808   2HZ   LYS  91          2HZ       LYS  91  -9.259   6.409   6.038
  809   3HZ   LYS  91          3HZ       LYS  91  -9.215   7.135   4.502
  810    H    ALA  92           H        ALA  92  -6.424   9.174   0.597
  811    HA   ALA  92           HA       ALA  92  -8.394  11.027   0.032
  812   1HB   ALA  92          1HB       ALA  92  -6.033  11.510  -0.329
  813   2HB   ALA  92          2HB       ALA  92  -6.936  11.840  -1.807
  814   3HB   ALA  92          3HB       ALA  92  -5.983  10.363  -1.668
  815    H    LEU  93           H        LEU  93  -7.176   8.758  -2.481
  816    HA   LEU  93           HA       LEU  93  -9.386   9.434  -4.220
  817   1HB   LEU  93          2HB       LEU  93  -8.249   8.294  -5.832
  818   2HB   LEU  93          1HB       LEU  93  -6.925   8.486  -4.693
  819    HG   LEU  93           HG       LEU  93  -6.910   6.207  -5.396
  820   1HD1  LEU  93          1HD1      LEU  93  -8.240   5.404  -2.998
  821   2HD1  LEU  93          2HD1      LEU  93  -7.418   6.936  -2.700
  822   3HD1  LEU  93          3HD1      LEU  93  -6.509   5.550  -3.300
  823   1HD2  LEU  93          1HD2      LEU  93  -9.650   6.569  -5.741
  824   2HD2  LEU  93          2HD2      LEU  93  -9.534   5.371  -4.451
  825   3HD2  LEU  93          3HD2      LEU  93  -8.756   5.071  -6.006
  826    H    GLN  94           H        GLN  94  -8.967   7.088  -1.718
  827    HA   GLN  94           HA       GLN  94 -10.936   5.173  -2.574
  828   1HB   GLN  94          2HB       GLN  94  -9.414   5.787  -0.152
  829   2HB   GLN  94          1HB       GLN  94 -11.050   5.235   0.207
  830   1HG   GLN  94          2HG       GLN  94 -10.726   3.237  -1.152
  831   2HG   GLN  94          1HG       GLN  94  -9.123   3.791  -1.642
  832   1HE2  GLN  94          1HE2      GLN  94 -10.718   1.827   0.588
  833   2HE2  GLN  94          2HE2      GLN  94  -9.503   1.745   1.783
  834    H    LYS  95           H        LYS  95 -11.147   7.930  -0.304
  835    HA   LYS  95           HA       LYS  95 -13.983   7.764   0.074
  836   1HB   LYS  95          2HB       LYS  95 -12.055  10.092   0.381
  837   2HB   LYS  95          1HB       LYS  95 -13.741  10.141   0.892
  838   1HG   LYS  95          2HG       LYS  95 -13.338   8.233   2.413
  839   2HG   LYS  95          1HG       LYS  95 -11.647   8.193   1.908
  840   1HD   LYS  95          2HD       LYS  95 -11.324  10.484   2.747
  841   2HD   LYS  95          1HD       LYS  95 -13.021  10.561   3.217
  842   1HE   LYS  95          2HE       LYS  95 -12.665   8.664   4.771
  843   2HE   LYS  95          1HE       LYS  95 -10.961   8.625   4.320
  844   1HZ   LYS  95          1HZ       LYS  95 -11.621   9.922   6.401
  845   2HZ   LYS  95          2HZ       LYS  95 -12.219  11.100   5.332
  846   3HZ   LYS  95          3HZ       LYS  95 -10.573  10.679   5.303
  847    H    GLN  96           H        GLN  96 -11.982   9.662  -2.184
  848    HA   GLN  96           HA       GLN  96 -14.177  11.107  -3.349
  849   1HB   GLN  96          2HB       GLN  96 -11.439  10.405  -4.450
  850   2HB   GLN  96          1HB       GLN  96 -12.561  11.523  -5.226
  851   1HG   GLN  96          2HG       GLN  96 -11.526  11.841  -2.392
  852   2HG   GLN  96          1HG       GLN  96 -10.852  12.671  -3.794
  853   1HE2  GLN  96          1HE2      GLN  96 -12.456  14.083  -5.053
  854   2HE2  GLN  96          2HE2      GLN  96 -13.694  14.848  -4.179
  855    H    TYR  97           H        TYR  97 -12.622   8.023  -4.114
  856    HA   TYR  97           HA       TYR  97 -13.969   7.530  -6.592
  857   1HB   TYR  97          2HB       TYR  97 -12.046   6.201  -6.048
  858   2HB   TYR  97          1HB       TYR  97 -12.753   5.694  -4.515
  859    HD1  TYR  97           1HD      TYR  97 -14.184   3.797  -4.386
  860    HD2  TYR  97           2HD      TYR  97 -13.153   5.456  -8.213
  861    HE1  TYR  97           1HE      TYR  97 -15.243   1.857  -5.513
  862    HE2  TYR  97           2HE      TYR  97 -14.210   3.515  -9.338
  863    HH   TYR  97           HH       TYR  97 -16.312   1.465  -7.877
  864    H    LEU  98           H        LEU  98 -14.706   6.375  -3.280
  865    HA   LEU  98           HA       LEU  98 -17.098   4.988  -3.955
  866   1HB   LEU  98          2HB       LEU  98 -16.235   6.339  -1.386
  867   2HB   LEU  98          1HB       LEU  98 -17.701   5.373  -1.516
  868    HG   LEU  98           HG       LEU  98 -14.916   4.353  -2.160
  869   1HD1  LEU  98          1HD1      LEU  98 -16.622   4.252   0.325
  870   2HD1  LEU  98          2HD1      LEU  98 -14.911   4.658   0.179
  871   3HD1  LEU  98          3HD1      LEU  98 -15.440   2.987  -0.011
  872   1HD2  LEU  98          1HD2      LEU  98 -16.342   2.929  -3.329
  873   2HD2  LEU  98          2HD2      LEU  98 -17.682   3.187  -2.212
  874   3HD2  LEU  98          3HD2      LEU  98 -16.336   2.145  -1.749
  875    H    GLU  99           H        GLU  99 -16.543   8.385  -3.075
  876    HA   GLU  99           HA       GLU  99 -19.322   9.143  -2.986
  877   1HB   GLU  99          2HB       GLU  99 -16.791  10.738  -3.451
  878   2HB   GLU  99          1HB       GLU  99 -18.389  11.474  -3.321
  879   1HG   GLU  99          2HG       GLU  99 -17.172   9.681  -1.198
  880   2HG   GLU  99          1HG       GLU  99 -17.127  11.444  -1.149
  881    H    GLU 100           H        GLU 100 -16.888   9.145  -5.572
  882    HA   GLU 100           HA       GLU 100 -18.637  10.433  -7.491
  883   1HB   GLU 100          2HB       GLU 100 -16.832  10.401  -8.884
  884   2HB   GLU 100          1HB       GLU 100 -15.973  10.068  -7.382
  885   1HG   GLU 100          2HG       GLU 100 -15.178   8.382  -8.796
  886   2HG   GLU 100          1HG       GLU 100 -16.482   7.561  -7.936
  887    H    THR 101           H        THR 101 -18.269   7.168  -6.394
  888    HA   THR 101           HA       THR 101 -19.556   6.026  -8.788
  889    HB   THR 101           HB       THR 101 -19.584   3.938  -7.275
  890    HG1  THR 101           1HG      THR 101 -17.627   5.280  -5.806
  891   1HG2  THR 101          1HG2      THR 101 -17.914   4.374  -9.062
  892   2HG2  THR 101          2HG2      THR 101 -17.210   3.519  -7.690
  893   3HG2  THR 101          3HG2      THR 101 -16.921   5.248  -7.897
  894    H    LEU 102           H        LEU 102 -20.463   7.331  -5.708
  895    HA   LEU 102           HA       LEU 102 -23.162   6.104  -5.830
  896   1HB   LEU 102          2HB       LEU 102 -21.891   7.979  -3.804
  897   2HB   LEU 102          1HB       LEU 102 -23.521   7.316  -3.670
  898    HG   LEU 102           HG       LEU 102 -21.034   5.602  -3.919
  899   1HD1  LEU 102          1HD1      LEU 102 -20.948   6.862  -1.819
  900   2HD1  LEU 102          2HD1      LEU 102 -21.352   5.178  -1.486
  901   3HD1  LEU 102          3HD1      LEU 102 -22.613   6.411  -1.459
  902   1HD2  LEU 102          1HD2      LEU 102 -23.970   5.112  -3.475
  903   2HD2  LEU 102          2HD2      LEU 102 -22.789   3.973  -2.832
  904   3HD2  LEU 102          3HD2      LEU 102 -22.861   4.282  -4.566
  905    H    GLU 103           H        GLU 103 -21.534   8.922  -6.861
  906    HA   GLU 103           HA       GLU 103 -24.135  10.367  -7.227
  907   1HB   GLU 103          2HB       GLU 103 -21.293  11.407  -7.012
  908   2HB   GLU 103          1HB       GLU 103 -22.672  12.409  -7.454
  909   1HG   GLU 103          2HG       GLU 103 -23.749  11.910  -5.308
  910   2HG   GLU 103          1HG       GLU 103 -22.406  10.854  -4.863
  911    H    HIS 104           H        HIS 104 -24.638  11.057  -9.269
  912    HA   HIS 104           HA       HIS 104 -23.348   9.763 -11.534
  913   1HB   HIS 104          2HB       HIS 104 -25.499  11.919 -11.378
  914   2HB   HIS 104          1HB       HIS 104 -24.986  11.145 -12.877
  915    HD1  HIS 104           1HD      HIS 104 -27.005  10.570  -9.787
  916    HD2  HIS 104           2HD      HIS 104 -25.738   8.357 -13.090
  917    HE1  HIS 104           1HE      HIS 104 -28.290   8.385  -9.724
  918    HE2  HIS 104           2HE      HIS 104 -27.526   7.031 -11.727
  919    H2   TSA 501           1H2      TSA 501  -4.602  -0.662   4.101
  920    H3   TSA 501           1H3      TSA 501  -5.984   0.488   5.870
  921    H4   TSA 501           4H       TSA 501  -8.225   0.953   4.622
  922    HO5  TSA 501           HO5      TSA 501  -7.044   2.393   6.095
  923    H5   TSA 501           5H       TSA 501  -7.902   2.651   2.628
  924   1H6   TSA 501          1H6       TSA 501  -5.653   2.882   1.787
  925   2H6   TSA 501          2H6       TSA 501  -5.395   3.046   3.465
  926    H8   TSA 501           8H       TSA 501  -6.914   0.864   0.200
  927   1H9   TSA 501          1H9       TSA 501  -4.607  -0.421   1.257
  928   2H9   TSA 501          2H9       TSA 501  -4.669   1.088   0.561
  Start of MODEL    3
    1   1H    MET   1          1HT       MET   1 -17.134 -11.710  -3.079
    2   2H    MET   1          2HT       MET   1 -15.746 -12.361  -2.344
    3   3H    MET   1          3HT       MET   1 -15.681 -10.834  -3.087
    4    HA   MET   1           HA       MET   1 -17.179  -9.918  -1.444
    5   1HB   MET   1          2HB       MET   1 -17.061 -12.738  -0.320
    6   2HB   MET   1          1HB       MET   1 -17.773 -11.357   0.514
    7   1HG   MET   1          2HG       MET   1 -18.666 -12.363  -2.209
    8   2HG   MET   1          1HG       MET   1 -19.476 -12.746  -0.690
    9   1HE   MET   1          1HE       MET   1 -21.162  -9.797   0.551
   10   2HE   MET   1          2HE       MET   1 -19.449  -9.748   0.962
   11   3HE   MET   1          3HE       MET   1 -20.285 -11.297   0.883
   12    H    ILE   2           H        ILE   2 -15.856 -11.901   0.930
   13    HA   ILE   2           HA       ILE   2 -13.879  -9.944   1.690
   14    HB   ILE   2           HB       ILE   2 -15.049 -11.529   3.266
   15   1HG1  ILE   2          2HG1      ILE   2 -12.028 -11.793   3.352
   16   2HG1  ILE   2          1HG1      ILE   2 -12.881 -10.310   3.781
   17   1HG2  ILE   2          1HG2      ILE   2 -14.694 -13.510   1.682
   18   2HG2  ILE   2          2HG2      ILE   2 -14.390 -13.816   3.392
   19   3HG2  ILE   2          3HG2      ILE   2 -13.039 -13.565   2.288
   20   1HD1  ILE   2          1HD1      ILE   2 -12.410 -11.656   5.792
   21   2HD1  ILE   2          2HD1      ILE   2 -13.286 -13.016   5.089
   22   3HD1  ILE   2          3HD1      ILE   2 -14.146 -11.536   5.512
   23    H    GLU   3           H        GLU   3 -13.791 -12.891  -0.226
   24    HA   GLU   3           HA       GLU   3 -10.949 -13.292  -0.222
   25   1HB   GLU   3          2HB       GLU   3 -13.083 -14.002  -2.255
   26   2HB   GLU   3          1HB       GLU   3 -11.404 -14.528  -2.379
   27   1HG   GLU   3          2HG       GLU   3 -11.571 -15.677  -0.225
   28   2HG   GLU   3          1HG       GLU   3 -13.229 -15.107  -0.027
   29    H    LYS   4           H        LYS   4 -13.095 -11.319  -2.235
   30    HA   LYS   4           HA       LYS   4 -11.249 -10.566  -4.249
   31   1HB   LYS   4          2HB       LYS   4 -13.473  -8.897  -3.021
   32   2HB   LYS   4          1HB       LYS   4 -12.704  -8.599  -4.579
   33   1HG   LYS   4          2HG       LYS   4 -13.998 -11.255  -3.970
   34   2HG   LYS   4          1HG       LYS   4 -14.948  -9.899  -4.577
   35   1HD   LYS   4          2HD       LYS   4 -13.395  -9.715  -6.518
   36   2HD   LYS   4          1HD       LYS   4 -12.527 -11.133  -5.929
   37   1HE   LYS   4          2HE       LYS   4 -14.572 -12.487  -6.130
   38   2HE   LYS   4          1HE       LYS   4 -15.463 -11.071  -6.690
   39   1HZ   LYS   4          1HZ       LYS   4 -14.867 -11.836  -8.700
   40   2HZ   LYS   4          2HZ       LYS   4 -13.560 -12.741  -8.102
   41   3HZ   LYS   4          3HZ       LYS   4 -13.391 -11.071  -8.367
   42    H    LEU   5           H        LEU   5 -11.859  -9.117  -1.057
   43    HA   LEU   5           HA       LEU   5 -10.036  -6.922  -1.297
   44   1HB   LEU   5          2HB       LEU   5 -11.745  -7.055   0.464
   45   2HB   LEU   5          1HB       LEU   5 -10.950  -8.471   1.145
   46    HG   LEU   5           HG       LEU   5  -9.176  -6.136   0.822
   47   1HD1  LEU   5          1HD1      LEU   5 -10.177  -5.100   2.938
   48   2HD1  LEU   5          2HD1      LEU   5 -11.610  -6.077   2.622
   49   3HD1  LEU   5          3HD1      LEU   5 -11.101  -4.856   1.457
   50   1HD2  LEU   5          1HD2      LEU   5  -8.386  -6.873   2.973
   51   2HD2  LEU   5          2HD2      LEU   5  -8.716  -8.335   2.043
   52   3HD2  LEU   5          3HD2      LEU   5  -9.861  -7.791   3.269
   53    H    ALA   6           H        ALA   6  -9.618 -10.266  -0.219
   54    HA   ALA   6           HA       ALA   6  -6.983 -10.040   0.822
   55   1HB   ALA   6          1HB       ALA   6  -8.475 -12.024   1.090
   56   2HB   ALA   6          2HB       ALA   6  -6.852 -12.452   0.548
   57   3HB   ALA   6          3HB       ALA   6  -8.188 -12.427  -0.602
   58    H    GLU   7           H        GLU   7  -7.764 -11.571  -2.329
   59    HA   GLU   7           HA       GLU   7  -5.172 -11.563  -3.370
   60   1HB   GLU   7          2HB       GLU   7  -7.793 -11.153  -4.832
   61   2HB   GLU   7          1HB       GLU   7  -6.259 -11.499  -5.631
   62   1HG   GLU   7          2HG       GLU   7  -6.070 -13.611  -4.381
   63   2HG   GLU   7          1HG       GLU   7  -7.591 -13.266  -3.557
   64    H    ILE   8           H        ILE   8  -7.519  -8.905  -3.341
   65    HA   ILE   8           HA       ILE   8  -6.093  -7.130  -5.066
   66    HB   ILE   8           HB       ILE   8  -8.058  -6.695  -2.823
   67   1HG1  ILE   8          2HG1      ILE   8  -8.260  -6.079  -5.783
   68   2HG1  ILE   8          1HG1      ILE   8  -8.738  -7.631  -5.095
   69   1HG2  ILE   8          1HG2      ILE   8  -6.994  -4.658  -2.638
   70   2HG2  ILE   8          2HG2      ILE   8  -8.052  -4.294  -4.002
   71   3HG2  ILE   8          3HG2      ILE   8  -6.363  -4.720  -4.283
   72   1HD1  ILE   8          1HD1      ILE   8  -9.886  -4.911  -4.399
   73   2HD1  ILE   8          2HD1      ILE   8 -10.281  -6.401  -3.542
   74   3HD1  ILE   8          3HD1      ILE   8 -10.711  -6.221  -5.243
   75    H    ARG   9           H        ARG   9  -6.042  -7.431  -1.498
   76    HA   ARG   9           HA       ARG   9  -4.074  -5.356  -1.138
   77   1HB   ARG   9          2HB       ARG   9  -4.966  -7.650   0.650
   78   2HB   ARG   9          1HB       ARG   9  -3.835  -6.397   1.165
   79   1HG   ARG   9          2HG       ARG   9  -5.656  -4.719   0.370
   80   2HG   ARG   9          1HG       ARG   9  -6.753  -6.097   0.432
   81   1HD   ARG   9          2HD       ARG   9  -6.022  -6.485   2.809
   82   2HD   ARG   9          1HD       ARG   9  -5.085  -4.997   2.706
   83    HE   ARG   9           HE       ARG   9  -7.641  -4.209   1.972
   84   1HH1  ARG   9          1HH2      ARG   9  -6.287  -5.991   4.592
   85   2HH1  ARG   9          2HH2      ARG   9  -7.282  -5.238   5.798
   86   1HH2  ARG   9          1HH1      ARG   9  -8.996  -3.256   3.530
   87   2HH2  ARG   9          2HH1      ARG   9  -8.800  -3.676   5.199
   88    H    LYS  10           H        LYS  10  -3.873  -8.717  -2.016
   89    HA   LYS  10           HA       LYS  10  -1.105  -9.137  -1.292
   90   1HB   LYS  10          2HB       LYS  10  -2.938 -10.475  -3.310
   91   2HB   LYS  10          1HB       LYS  10  -1.280 -11.007  -3.029
   92   1HG   LYS  10          2HG       LYS  10  -1.853 -11.276  -0.588
   93   2HG   LYS  10          1HG       LYS  10  -3.533 -10.924  -0.999
   94   1HD   LYS  10          2HD       LYS  10  -3.545 -12.845  -2.564
   95   2HD   LYS  10          1HD       LYS  10  -1.878 -13.211  -2.116
   96   1HE   LYS  10          2HE       LYS  10  -2.581 -13.547   0.229
   97   2HE   LYS  10          1HE       LYS  10  -4.249 -13.189  -0.221
   98   1HZ   LYS  10          1HZ       LYS  10  -2.596 -15.522  -0.937
   99   2HZ   LYS  10          2HZ       LYS  10  -3.898 -15.063  -1.928
  100   3HZ   LYS  10          3HZ       LYS  10  -4.169 -15.480  -0.304
  101    H    LYS  11           H        LYS  11  -2.788  -7.778  -4.084
  102    HA   LYS  11           HA       LYS  11  -0.532  -7.610  -5.849
  103   1HB   LYS  11          2HB       LYS  11  -2.915  -5.727  -5.647
  104   2HB   LYS  11          1HB       LYS  11  -1.828  -5.871  -7.026
  105   1HG   LYS  11          2HG       LYS  11  -2.512  -8.395  -6.987
  106   2HG   LYS  11          1HG       LYS  11  -3.884  -7.831  -6.035
  107   1HD   LYS  11          2HD       LYS  11  -4.501  -6.257  -7.821
  108   2HD   LYS  11          1HD       LYS  11  -3.111  -6.777  -8.773
  109   1HE   LYS  11          2HE       LYS  11  -4.931  -8.020  -9.653
  110   2HE   LYS  11          1HE       LYS  11  -4.094  -9.150  -8.589
  111   1HZ   LYS  11          1HZ       LYS  11  -5.748  -8.117  -6.845
  112   2HZ   LYS  11          2HZ       LYS  11  -6.210  -9.412  -7.845
  113   3HZ   LYS  11          3HZ       LYS  11  -6.678  -7.825  -8.234
  114    H    ILE  12           H        ILE  12  -1.822  -5.452  -3.340
  115    HA   ILE  12           HA       ILE  12  -0.033  -3.270  -3.735
  116    HB   ILE  12           HB       ILE  12  -1.559  -4.324  -1.359
  117   1HG1  ILE  12          2HG1      ILE  12  -2.781  -2.236  -1.592
  118   2HG1  ILE  12          1HG1      ILE  12  -1.633  -1.650  -2.795
  119   1HG2  ILE  12          1HG2      ILE  12   0.543  -2.159  -1.403
  120   2HG2  ILE  12          2HG2      ILE  12   0.362  -3.488  -0.258
  121   3HG2  ILE  12          3HG2      ILE  12  -0.772  -2.138  -0.228
  122   1HD1  ILE  12          1HD1      ILE  12  -3.124  -4.229  -3.232
  123   2HD1  ILE  12          2HD1      ILE  12  -2.382  -3.167  -4.429
  124   3HD1  ILE  12          3HD1      ILE  12  -3.874  -2.682  -3.624
  125    H    ASP  13           H        ASP  13   0.264  -6.294  -1.933
  126    HA   ASP  13           HA       ASP  13   2.689  -5.755  -0.556
  127   1HB   ASP  13          2HB       ASP  13   1.511  -8.330  -1.641
  128   2HB   ASP  13          1HB       ASP  13   2.969  -8.291  -0.653
  129    H    GLU  14           H        GLU  14   2.087  -6.996  -3.834
  130    HA   GLU  14           HA       GLU  14   4.825  -7.463  -4.529
  131   1HB   GLU  14          2HB       GLU  14   2.425  -6.744  -6.236
  132   2HB   GLU  14          1HB       GLU  14   3.987  -7.219  -6.897
  133   1HG   GLU  14          2HG       GLU  14   3.840  -9.387  -5.767
  134   2HG   GLU  14          1HG       GLU  14   2.317  -8.913  -5.015
  135    H    ILE  15           H        ILE  15   2.884  -4.578  -4.291
  136    HA   ILE  15           HA       ILE  15   4.833  -2.923  -5.761
  137    HB   ILE  15           HB       ILE  15   2.232  -2.371  -4.331
  138   1HG1  ILE  15          2HG1      ILE  15   1.856  -1.267  -6.658
  139   2HG1  ILE  15          1HG1      ILE  15   3.282  -2.180  -7.153
  140   1HG2  ILE  15          1HG2      ILE  15   3.460  -0.484  -3.650
  141   2HG2  ILE  15          2HG2      ILE  15   2.699   0.057  -5.146
  142   3HG2  ILE  15          3HG2      ILE  15   4.391  -0.437  -5.146
  143   1HD1  ILE  15          1HD1      ILE  15   0.768  -3.359  -5.924
  144   2HD1  ILE  15          2HD1      ILE  15   2.199  -4.275  -6.396
  145   3HD1  ILE  15          3HD1      ILE  15   1.227  -3.462  -7.623
  146    H    ASP  16           H        ASP  16   3.857  -3.578  -2.428
  147    HA   ASP  16           HA       ASP  16   5.308  -1.527  -1.119
  148   1HB   ASP  16          2HB       ASP  16   4.577  -4.343  -0.267
  149   2HB   ASP  16          1HB       ASP  16   5.333  -3.184   0.824
  150    H    ASN  17           H        ASN  17   6.335  -4.883  -1.826
  151    HA   ASN  17           HA       ASN  17   9.032  -4.543  -0.947
  152   1HB   ASN  17          2HB       ASN  17   7.817  -6.425  -2.996
  153   2HB   ASN  17          1HB       ASN  17   9.481  -6.532  -2.424
  154   1HD2  ASN  17          1HD2      ASN  17   7.708  -8.688  -1.946
  155   2HD2  ASN  17          2HD2      ASN  17   7.367  -8.768  -0.279
  156    H    LYS  18           H        LYS  18   7.429  -3.904  -4.019
  157    HA   LYS  18           HA       LYS  18   9.728  -3.549  -5.659
  158   1HB   LYS  18          2HB       LYS  18   7.360  -3.686  -6.465
  159   2HB   LYS  18          1HB       LYS  18   7.093  -2.059  -5.843
  160   1HG   LYS  18          2HG       LYS  18   8.863  -1.194  -7.334
  161   2HG   LYS  18          1HG       LYS  18   9.134  -2.822  -7.957
  162   1HD   LYS  18          2HD       LYS  18   6.779  -2.904  -8.737
  163   2HD   LYS  18          1HD       LYS  18   6.540  -1.257  -8.155
  164   1HE   LYS  18          2HE       LYS  18   8.238  -0.424  -9.707
  165   2HE   LYS  18          1HE       LYS  18   8.588  -2.068 -10.243
  166   1HZ   LYS  18          1HZ       LYS  18   6.654  -0.336 -11.233
  167   2HZ   LYS  18          2HZ       LYS  18   5.818  -1.580 -10.434
  168   3HZ   LYS  18          3HZ       LYS  18   6.920  -1.952 -11.673
  169    H    ILE  19           H        ILE  19   7.984  -1.199  -3.602
  170    HA   ILE  19           HA       ILE  19   9.694   1.012  -4.396
  171    HB   ILE  19           HB       ILE  19   7.458   1.472  -3.592
  172   1HG1  ILE  19          2HG1      ILE  19   9.687   2.829  -2.825
  173   2HG1  ILE  19          1HG1      ILE  19   8.048   3.358  -2.447
  174   1HG2  ILE  19          1HG2      ILE  19   7.016  -0.370  -2.150
  175   2HG2  ILE  19          2HG2      ILE  19   6.984   1.058  -1.115
  176   3HG2  ILE  19          3HG2      ILE  19   8.400   0.004  -1.123
  177   1HD1  ILE  19          1HD1      ILE  19   8.142   2.427  -0.258
  178   2HD1  ILE  19          2HD1      ILE  19   9.682   3.257  -0.477
  179   3HD1  ILE  19          3HD1      ILE  19   9.595   1.502  -0.632
  180    H    LEU  20           H        LEU  20   9.854  -1.471  -1.930
  181    HA   LEU  20           HA       LEU  20  11.868  -0.105  -0.320
  182   1HB   LEU  20          2HB       LEU  20  10.956  -2.994  -0.462
  183   2HB   LEU  20          1HB       LEU  20  12.196  -2.430   0.657
  184    HG   LEU  20           HG       LEU  20   9.388  -1.288   0.521
  185   1HD1  LEU  20          1HD1      LEU  20   9.087  -3.488   1.321
  186   2HD1  LEU  20          2HD1      LEU  20   9.261  -2.534   2.794
  187   3HD1  LEU  20          3HD1      LEU  20  10.622  -3.479   2.190
  188   1HD2  LEU  20          1HD2      LEU  20  10.644   0.363   1.566
  189   2HD2  LEU  20          2HD2      LEU  20  11.835  -0.783   2.180
  190   3HD2  LEU  20          3HD2      LEU  20  10.257  -0.648   2.958
  191    H    LYS  21           H        LYS  21  11.863  -1.940  -3.250
  192    HA   LYS  21           HA       LYS  21  14.646  -2.816  -3.059
  193   1HB   LYS  21          2HB       LYS  21  12.924  -4.029  -4.414
  194   2HB   LYS  21          1HB       LYS  21  12.863  -2.649  -5.509
  195   1HG   LYS  21          2HG       LYS  21  15.296  -2.927  -5.956
  196   2HG   LYS  21          1HG       LYS  21  15.306  -4.349  -4.913
  197   1HD   LYS  21          2HD       LYS  21  13.421  -4.132  -7.260
  198   2HD   LYS  21          1HD       LYS  21  15.058  -4.760  -7.445
  199   1HE   LYS  21          2HE       LYS  21  14.512  -6.378  -5.548
  200   2HE   LYS  21          1HE       LYS  21  12.832  -5.871  -5.723
  201   1HZ   LYS  21          1HZ       LYS  21  14.522  -7.390  -7.578
  202   2HZ   LYS  21          2HZ       LYS  21  13.297  -6.401  -8.217
  203   3HZ   LYS  21          3HZ       LYS  21  12.905  -7.649  -7.132
  204    H    ALA  22           H        ALA  22  16.023  -1.046  -2.866
  205    HA   ALA  22           HA       ALA  22  16.137   0.748  -5.230
  206   1HB   ALA  22          1HB       ALA  22  16.424   2.725  -3.786
  207   2HB   ALA  22          2HB       ALA  22  16.191   1.718  -2.356
  208   3HB   ALA  22          3HB       ALA  22  14.865   1.955  -3.493
  209    H    ARG  23           H        ARG  23  17.769  -1.539  -4.163
  210    HA   ARG  23           HA       ARG  23  20.238  -0.412  -3.136
  211   1HB   ARG  23          2HB       ARG  23  19.561  -3.108  -4.358
  212   2HB   ARG  23          1HB       ARG  23  21.162  -2.703  -3.742
  213   1HG   ARG  23          2HG       ARG  23  20.218  -2.260  -1.512
  214   2HG   ARG  23          1HG       ARG  23  18.596  -2.589  -2.122
  215   1HD   ARG  23          2HD       ARG  23  20.854  -4.623  -2.181
  216   2HD   ARG  23          1HD       ARG  23  19.651  -4.543  -0.888
  217    HE   ARG  23           HE       ARG  23  18.134  -4.691  -3.213
  218   1HH1  ARG  23          1HH2      ARG  23  20.689  -6.516  -1.786
  219   2HH1  ARG  23          2HH2      ARG  23  20.165  -8.022  -2.461
  220   1HH2  ARG  23          1HH1      ARG  23  17.447  -6.668  -4.114
  221   2HH2  ARG  23          2HH1      ARG  23  18.339  -8.112  -3.767
  222    H    TRP  24           H        TRP  24  19.075  -1.346  -6.362
  223    HA   TRP  24           HA       TRP  24  21.317   0.233  -7.524
  224   1HB   TRP  24          2HB       TRP  24  20.858  -2.660  -7.814
  225   2HB   TRP  24          1HB       TRP  24  21.020  -1.810  -9.349
  226    HD1  TRP  24           HD       TRP  24  23.322  -0.421  -9.744
  227    HE1  TRP  24           1HE      TRP  24  25.684  -0.782  -8.772
  228    HE3  TRP  24           3HE      TRP  24  22.201  -3.475  -5.810
  229    HZ2  TRP  24           2HZ      TRP  24  26.933  -2.184  -6.607
  230    HZ3  TRP  24           3HZ      TRP  24  23.988  -4.306  -4.311
  231    HH2  TRP  24           HH       TRP  24  26.351  -3.667  -4.703
  232    HA   PRO  25           HA       PRO  25  17.864  -0.177 -10.891
  233   1HB   PRO  25          2HB       PRO  25  15.588  -1.529 -10.162
  234   2HB   PRO  25          1HB       PRO  25  16.974  -2.303 -10.960
  235   1HG   PRO  25          2HG       PRO  25  16.299  -2.190  -8.046
  236   2HG   PRO  25          1HG       PRO  25  16.788  -3.584  -9.028
  237   1HD   PRO  25          2HD       PRO  25  18.584  -2.360  -7.470
  238   2HD   PRO  25          1HD       PRO  25  19.046  -2.913  -9.094
  239    H    TRP  26           H        TRP  26  16.206   1.369 -11.203
  240    HA   TRP  26           HA       TRP  26  15.696   3.190  -9.048
  241   1HB   TRP  26          2HB       TRP  26  15.617   3.632 -11.595
  242   2HB   TRP  26          1HB       TRP  26  13.977   2.987 -11.521
  243    HD1  TRP  26           HD       TRP  26  12.123   4.556 -10.704
  244    HE1  TRP  26           1HE      TRP  26  12.059   6.944  -9.734
  245    HE3  TRP  26           3HE      TRP  26  17.116   5.359 -10.017
  246    HZ2  TRP  26           2HZ      TRP  26  13.889   8.934  -8.791
  247    HZ3  TRP  26           3HZ      TRP  26  17.930   7.505  -9.084
  248    HH2  TRP  26           HH       TRP  26  16.325   9.292  -8.469
  249    H    ALA  27           H        ALA  27  13.942   3.349  -7.653
  250    HA   ALA  27           HA       ALA  27  12.434   1.026  -7.041
  251   1HB   ALA  27          1HB       ALA  27  11.729   3.916  -6.434
  252   2HB   ALA  27          2HB       ALA  27  12.793   2.903  -5.458
  253   3HB   ALA  27          3HB       ALA  27  11.084   2.497  -5.608
  254    H    GLU  28           H        GLU  28  11.526   3.914  -8.919
  255    HA   GLU  28           HA       GLU  28   9.640   4.305 -10.280
  256   1HB   GLU  28          2HB       GLU  28  11.063   2.640 -11.577
  257   2HB   GLU  28          1HB       GLU  28   9.996   1.376 -10.965
  258   1HG   GLU  28          2HG       GLU  28   8.061   2.473 -11.989
  259   2HG   GLU  28          1HG       GLU  28   9.083   3.797 -12.547
  260    H    LYS  29           H        LYS  29   8.702   4.054  -7.813
  261    HA   LYS  29           HA       LYS  29   6.990   1.853  -7.233
  262   1HB   LYS  29          2HB       LYS  29   5.787   3.492  -5.741
  263   2HB   LYS  29          1HB       LYS  29   7.532   3.454  -5.494
  264   1HG   LYS  29          2HG       LYS  29   7.758   5.425  -7.005
  265   2HG   LYS  29          1HG       LYS  29   6.000   5.493  -7.135
  266   1HD   LYS  29          2HD       LYS  29   5.829   5.801  -4.690
  267   2HD   LYS  29          1HD       LYS  29   7.586   5.735  -4.561
  268   1HE   LYS  29          2HE       LYS  29   7.768   7.721  -6.018
  269   2HE   LYS  29          1HE       LYS  29   6.011   7.798  -6.131
  270   1HZ   LYS  29          1HZ       LYS  29   6.975   7.651  -3.432
  271   2HZ   LYS  29          2HZ       LYS  29   5.861   8.728  -4.129
  272   3HZ   LYS  29          3HZ       LYS  29   7.529   9.027  -4.254
  273    H    LEU  30           H        LEU  30   4.948   1.336  -7.952
  274    HA   LEU  30           HA       LEU  30   3.893   2.890 -10.211
  275   1HB   LEU  30          2HB       LEU  30   2.748   0.405  -8.897
  276   2HB   LEU  30          1HB       LEU  30   2.275   1.074 -10.457
  277    HG   LEU  30           HG       LEU  30   5.043   0.029  -9.772
  278   1HD1  LEU  30          1HD1      LEU  30   3.563  -1.844  -9.959
  279   2HD1  LEU  30          2HD1      LEU  30   4.372  -1.712 -11.521
  280   3HD1  LEU  30          3HD1      LEU  30   2.719  -1.126 -11.330
  281   1HD2  LEU  30          1HD2      LEU  30   3.809   1.311 -12.209
  282   2HD2  LEU  30          2HD2      LEU  30   5.157   0.186 -12.380
  283   3HD2  LEU  30          3HD2      LEU  30   5.357   1.665 -11.440
  284    H    ILE  31           H        ILE  31   3.170   4.837  -9.248
  285    HA   ILE  31           HA       ILE  31   1.529   4.966  -6.901
  286    HB   ILE  31           HB       ILE  31   1.791   6.869  -9.252
  287   1HG1  ILE  31          2HG1      ILE  31   2.885   7.091  -6.434
  288   2HG1  ILE  31          1HG1      ILE  31   3.806   6.398  -7.768
  289   1HG2  ILE  31          1HG2      ILE  31  -0.310   7.377  -8.243
  290   2HG2  ILE  31          2HG2      ILE  31   0.834   8.519  -7.538
  291   3HG2  ILE  31          3HG2      ILE  31   0.321   7.104  -6.620
  292   1HD1  ILE  31          1HD1      ILE  31   3.464   8.528  -9.043
  293   2HD1  ILE  31          2HD1      ILE  31   4.395   8.750  -7.561
  294   3HD1  ILE  31          3HD1      ILE  31   2.694   9.215  -7.612
  295    H    ALA  32           H        ALA  32   0.721   4.822 -10.369
  296    HA   ALA  32           HA       ALA  32  -2.101   5.087 -10.097
  297   1HB   ALA  32          1HB       ALA  32  -1.016   5.242 -12.275
  298   2HB   ALA  32          2HB       ALA  32  -2.187   3.924 -12.310
  299   3HB   ALA  32          3HB       ALA  32  -0.466   3.569 -12.154
  300    H    GLU  33           H        GLU  33  -0.156   2.085 -10.405
  301    HA   GLU  33           HA       GLU  33  -2.244   0.233 -10.067
  302   1HB   GLU  33          2HB       GLU  33   0.236  -0.218 -10.573
  303   2HB   GLU  33          1HB       GLU  33   0.497  -0.125  -8.831
  304   1HG   GLU  33          2HG       GLU  33   0.162  -2.447  -9.393
  305   2HG   GLU  33          1HG       GLU  33  -1.287  -1.891  -8.555
  306    H    ARG  34           H        ARG  34  -0.266   1.822  -7.546
  307    HA   ARG  34           HA       ARG  34  -1.497   0.589  -5.298
  308   1HB   ARG  34          2HB       ARG  34   0.506   1.902  -4.973
  309   2HB   ARG  34          1HB       ARG  34  -0.260   3.336  -5.641
  310   1HG   ARG  34          2HG       ARG  34  -0.189   3.507  -3.189
  311   2HG   ARG  34          1HG       ARG  34  -1.859   3.346  -3.737
  312   1HD   ARG  34          2HD       ARG  34  -2.072   1.264  -2.879
  313   2HD   ARG  34          1HD       ARG  34  -0.422   0.824  -3.205
  314    HE   ARG  34           HE       ARG  34  -0.275   2.673  -1.069
  315   1HH1  ARG  34          1HH2      ARG  34  -2.018  -0.176  -1.857
  316   2HH1  ARG  34          2HH2      ARG  34  -2.071  -0.758  -0.227
  317   1HH2  ARG  34          1HH1      ARG  34  -0.321   1.936   1.093
  318   2HH2  ARG  34          2HH1      ARG  34  -1.116   0.429   1.432
  319    H    ASN  35           H        ASN  35  -2.319   3.634  -6.973
  320    HA   ASN  35           HA       ASN  35  -4.635   4.153  -5.351
  321   1HB   ASN  35          2HB       ASN  35  -3.614   5.968  -6.632
  322   2HB   ASN  35          1HB       ASN  35  -3.900   5.094  -8.142
  323   1HD2  ASN  35          1HD2      ASN  35  -5.003   7.627  -7.944
  324   2HD2  ASN  35          2HD2      ASN  35  -6.691   7.524  -7.747
  325    H    SER  36           H        SER  36  -4.159   2.510  -8.475
  326    HA   SER  36           HA       SER  36  -6.746   2.103  -9.362
  327   1HB   SER  36          2HB       SER  36  -5.992   0.024 -10.338
  328   2HB   SER  36          1HB       SER  36  -4.639   1.149 -10.379
  329    HG   SER  36           HG       SER  36  -3.643   0.026  -8.851
  330    H    LEU  37           H        LEU  37  -5.300  -0.628  -7.620
  331    HA   LEU  37           HA       LEU  37  -7.558  -1.893  -6.713
  332   1HB   LEU  37          2HB       LEU  37  -4.974  -1.395  -5.229
  333   2HB   LEU  37          1HB       LEU  37  -6.246  -2.413  -4.564
  334    HG   LEU  37           HG       LEU  37  -4.643  -3.831  -5.682
  335   1HD1  LEU  37          1HD1      LEU  37  -7.286  -3.969  -6.142
  336   2HD1  LEU  37          2HD1      LEU  37  -6.142  -5.117  -6.839
  337   3HD1  LEU  37          3HD1      LEU  37  -6.726  -3.759  -7.801
  338   1HD2  LEU  37          1HD2      LEU  37  -3.818  -3.488  -7.855
  339   2HD2  LEU  37          2HD2      LEU  37  -3.883  -1.855  -7.190
  340   3HD2  LEU  37          3HD2      LEU  37  -5.146  -2.413  -8.286
  341    H    ALA  38           H        ALA  38  -5.999   0.875  -5.088
  342    HA   ALA  38           HA       ALA  38  -7.489   1.154  -2.793
  343   1HB   ALA  38          1HB       ALA  38  -6.867   3.389  -2.753
  344   2HB   ALA  38          2HB       ALA  38  -7.133   3.600  -4.485
  345   3HB   ALA  38          3HB       ALA  38  -5.707   2.738  -3.910
  346    H    LYS  39           H        LYS  39  -8.517   2.374  -5.993
  347    HA   LYS  39           HA       LYS  39 -11.080   3.310  -5.111
  348   1HB   LYS  39          2HB       LYS  39 -10.221   4.091  -7.217
  349   2HB   LYS  39          1HB       LYS  39 -10.054   2.443  -7.821
  350   1HG   LYS  39          2HG       LYS  39 -12.754   3.400  -6.936
  351   2HG   LYS  39          1HG       LYS  39 -12.148   3.887  -8.518
  352   1HD   LYS  39          2HD       LYS  39 -11.577   1.159  -8.379
  353   2HD   LYS  39          1HD       LYS  39 -13.181   1.303  -7.659
  354   1HE   LYS  39          2HE       LYS  39 -13.510   1.011 -10.020
  355   2HE   LYS  39          1HE       LYS  39 -13.842   2.707  -9.668
  356   1HZ   LYS  39          1HZ       LYS  39 -11.094   2.368 -10.192
  357   2HZ   LYS  39          2HZ       LYS  39 -12.230   3.301 -11.043
  358   3HZ   LYS  39          3HZ       LYS  39 -11.983   1.672 -11.455
  359    H    ASP  40           H        ASP  40 -10.134   0.244  -6.698
  360    HA   ASP  40           HA       ASP  40 -12.739  -0.910  -6.711
  361   1HB   ASP  40          2HB       ASP  40  -9.963  -2.117  -6.666
  362   2HB   ASP  40          1HB       ASP  40 -11.418  -3.109  -6.776
  363    H    VAL  41           H        VAL  41 -10.171  -0.926  -4.256
  364    HA   VAL  41           HA       VAL  41 -11.374  -2.778  -2.459
  365    HB   VAL  41           HB       VAL  41  -9.562  -0.400  -1.966
  366   1HG1  VAL  41          1HG1      VAL  41 -10.648  -2.505  -0.092
  367   2HG1  VAL  41          2HG1      VAL  41 -10.628  -0.755   0.122
  368   3HG1  VAL  41          3HG1      VAL  41  -9.126  -1.674   0.234
  369   1HG2  VAL  41          1HG2      VAL  41  -7.879  -2.239  -1.626
  370   2HG2  VAL  41          2HG2      VAL  41  -8.514  -2.164  -3.268
  371   3HG2  VAL  41          3HG2      VAL  41  -9.103  -3.395  -2.151
  372    H    ALA  42           H        ALA  42 -11.660   0.759  -2.717
  373    HA   ALA  42           HA       ALA  42 -13.290   1.304  -0.520
  374   1HB   ALA  42          1HB       ALA  42 -14.275   2.663  -2.905
  375   2HB   ALA  42          2HB       ALA  42 -12.514   2.669  -2.835
  376   3HB   ALA  42          3HB       ALA  42 -13.452   3.338  -1.499
  377    H    GLU  43           H        GLU  43 -14.302   0.147  -3.736
  378    HA   GLU  43           HA       GLU  43 -17.089   0.062  -3.328
  379   1HB   GLU  43          2HB       GLU  43 -15.969  -0.431  -5.494
  380   2HB   GLU  43          1HB       GLU  43 -15.390  -1.958  -4.830
  381   1HG   GLU  43          2HG       GLU  43 -17.693  -2.725  -4.506
  382   2HG   GLU  43          1HG       GLU  43 -18.307  -1.174  -5.077
  383    H    ILE  44           H        ILE  44 -14.851  -2.712  -2.955
  384    HA   ILE  44           HA       ILE  44 -16.604  -4.504  -1.721
  385    HB   ILE  44           HB       ILE  44 -13.651  -4.037  -1.382
  386   1HG1  ILE  44          2HG1      ILE  44 -13.443  -6.088  -2.633
  387   2HG1  ILE  44          1HG1      ILE  44 -15.166  -6.421  -2.473
  388   1HG2  ILE  44          1HG2      ILE  44 -14.054  -4.932   0.722
  389   2HG2  ILE  44          2HG2      ILE  44 -13.827  -6.402  -0.226
  390   3HG2  ILE  44          3HG2      ILE  44 -15.455  -5.852   0.175
  391   1HD1  ILE  44          1HD1      ILE  44 -14.474  -5.488  -4.720
  392   2HD1  ILE  44          2HD1      ILE  44 -14.071  -3.984  -3.894
  393   3HD1  ILE  44          3HD1      ILE  44 -15.735  -4.567  -3.901
  394    H    LYS  45           H        LYS  45 -14.828  -1.803  -0.263
  395    HA   LYS  45           HA       LYS  45 -15.336  -2.435   2.474
  396   1HB   LYS  45          2HB       LYS  45 -15.001   0.278   1.141
  397   2HB   LYS  45          1HB       LYS  45 -14.952  -0.000   2.882
  398   1HG   LYS  45          2HG       LYS  45 -13.149  -1.626   1.123
  399   2HG   LYS  45          1HG       LYS  45 -12.709   0.047   1.467
  400   1HD   LYS  45          2HD       LYS  45 -13.095  -0.514   3.939
  401   2HD   LYS  45          1HD       LYS  45 -13.128  -2.206   3.444
  402   1HE   LYS  45          2HE       LYS  45 -10.862  -1.550   4.170
  403   2HE   LYS  45          1HE       LYS  45 -10.876  -1.962   2.455
  404   1HZ   LYS  45          1HZ       LYS  45 -11.357   0.827   3.202
  405   2HZ   LYS  45          2HZ       LYS  45 -10.572   0.191   1.837
  406   3HZ   LYS  45          3HZ       LYS  45  -9.772   0.239   3.335
  407    H    ASN  46           H        ASN  46 -17.176  -0.472   0.144
  408    HA   ASN  46           HA       ASN  46 -19.277   0.294   1.927
  409   1HB   ASN  46          2HB       ASN  46 -18.889   1.352  -0.277
  410   2HB   ASN  46          1HB       ASN  46 -19.358  -0.150  -1.074
  411   1HD2  ASN  46          1HD2      ASN  46 -21.380   0.301  -1.982
  412   2HD2  ASN  46          2HD2      ASN  46 -22.693   0.957  -1.129
  413    H    GLN  47           H        GLN  47 -18.768  -2.549  -0.115
  414    HA   GLN  47           HA       GLN  47 -21.398  -3.670   0.434
  415   1HB   GLN  47          2HB       GLN  47 -20.828  -5.131  -1.193
  416   2HB   GLN  47          1HB       GLN  47 -19.344  -4.200  -1.387
  417   1HG   GLN  47          2HG       GLN  47 -18.293  -5.614   0.398
  418   2HG   GLN  47          1HG       GLN  47 -19.747  -6.610   0.401
  419   1HE2  GLN  47          1HE2      GLN  47 -16.786  -7.020  -0.603
  420   2HE2  GLN  47          2HE2      GLN  47 -17.005  -7.702  -2.143
  421    H    LEU  48           H        LEU  48 -18.502  -3.408   2.195
  422    HA   LEU  48           HA       LEU  48 -19.061  -5.810   3.851
  423   1HB   LEU  48          2HB       LEU  48 -16.792  -3.798   3.819
  424   2HB   LEU  48          1HB       LEU  48 -16.978  -4.988   5.106
  425    HG   LEU  48           HG       LEU  48 -16.855  -5.744   2.175
  426   1HD1  LEU  48          1HD1      LEU  48 -14.765  -4.601   2.892
  427   2HD1  LEU  48          2HD1      LEU  48 -14.500  -6.314   2.571
  428   3HD1  LEU  48          3HD1      LEU  48 -14.622  -5.737   4.233
  429   1HD2  LEU  48          1HD2      LEU  48 -16.850  -7.205   4.808
  430   2HD2  LEU  48          2HD2      LEU  48 -16.029  -7.914   3.418
  431   3HD2  LEU  48          3HD2      LEU  48 -17.756  -7.568   3.339
  432    H    GLY  49           H        GLY  49 -20.074  -2.659   3.653
  433   1HA   GLY  49          2HA       GLY  49 -21.143  -1.204   5.142
  434   2HA   GLY  49          1HA       GLY  49 -21.549  -2.657   6.050
  435    H    ILE  50           H        ILE  50 -18.469  -0.882   5.447
  436    HA   ILE  50           HA       ILE  50 -18.266  -0.402   8.362
  437    HB   ILE  50           HB       ILE  50 -15.765  -1.206   8.107
  438   1HG1  ILE  50          2HG1      ILE  50 -15.628  -3.222   6.651
  439   2HG1  ILE  50          1HG1      ILE  50 -17.229  -2.848   6.014
  440   1HG2  ILE  50          1HG2      ILE  50 -18.110  -3.107   8.388
  441   2HG2  ILE  50          2HG2      ILE  50 -17.408  -2.132   9.679
  442   3HG2  ILE  50          3HG2      ILE  50 -16.466  -3.427   8.941
  443   1HD1  ILE  50          1HD1      ILE  50 -15.118  -0.721   5.936
  444   2HD1  ILE  50          2HD1      ILE  50 -16.477  -0.984   4.844
  445   3HD1  ILE  50          3HD1      ILE  50 -15.054  -2.021   4.747
  446    HA   PRO  51           HA       PRO  51 -16.453   3.438   7.312
  447   1HB   PRO  51          2HB       PRO  51 -14.212   2.732   9.174
  448   2HB   PRO  51          1HB       PRO  51 -15.229   4.188   9.136
  449   1HG   PRO  51          2HG       PRO  51 -15.675   2.374  10.967
  450   2HG   PRO  51          1HG       PRO  51 -17.048   3.085  10.095
  451   1HD   PRO  51          2HD       PRO  51 -15.754   0.396   9.679
  452   2HD   PRO  51          1HD       PRO  51 -17.481   0.810   9.715
  453    H    ILE  52           H        ILE  52 -15.055   4.269   5.793
  454    HA   ILE  52           HA       ILE  52 -13.425   2.502   4.223
  455    HB   ILE  52           HB       ILE  52 -13.334   5.535   4.341
  456   1HG1  ILE  52          2HG1      ILE  52 -15.006   3.754   2.547
  457   2HG1  ILE  52          1HG1      ILE  52 -15.630   4.550   3.991
  458   1HG2  ILE  52          1HG2      ILE  52 -11.466   4.660   3.094
  459   2HG2  ILE  52          2HG2      ILE  52 -12.658   5.217   1.920
  460   3HG2  ILE  52          3HG2      ILE  52 -12.496   3.495   2.264
  461   1HD1  ILE  52          1HD1      ILE  52 -15.203   6.730   3.074
  462   2HD1  ILE  52          2HD1      ILE  52 -16.026   5.806   1.818
  463   3HD1  ILE  52          3HD1      ILE  52 -14.282   6.049   1.733
  464    H    ASN  53           H        ASN  53 -12.645   4.952   6.689
  465    HA   ASN  53           HA       ASN  53  -9.801   4.623   6.464
  466   1HB   ASN  53          2HB       ASN  53 -11.237   6.494   7.681
  467   2HB   ASN  53          1HB       ASN  53 -11.071   5.411   9.066
  468   1HD2  ASN  53          1HD2      ASN  53  -8.482   4.357   8.614
  469   2HD2  ASN  53          2HD2      ASN  53  -7.336   5.612   8.708
  470    H    ASP  54           H        ASP  54  -8.507   3.052   7.283
  471    HA   ASP  54           HA       ASP  54  -9.477   1.401   9.536
  472   1HB   ASP  54          2HB       ASP  54  -8.816   0.354   6.782
  473   2HB   ASP  54          1HB       ASP  54  -8.806  -0.672   8.216
  474    HA   PRO  55           HA       PRO  55  -4.967   2.652   9.720
  475   1HB   PRO  55          2HB       PRO  55  -5.050   2.742  12.496
  476   2HB   PRO  55          1HB       PRO  55  -5.366   4.136  11.444
  477   1HG   PRO  55          2HG       PRO  55  -7.306   2.290  12.769
  478   2HG   PRO  55          1HG       PRO  55  -7.361   4.054  12.602
  479   1HD   PRO  55          2HD       PRO  55  -8.872   2.531  11.022
  480   2HD   PRO  55          1HD       PRO  55  -8.047   3.959  10.357
  481    H    GLU  56           H        GLU  56  -6.662   0.517  12.038
  482    HA   GLU  56           HA       GLU  56  -4.845  -1.219  12.974
  483   1HB   GLU  56          2HB       GLU  56  -7.333  -1.997  11.425
  484   2HB   GLU  56          1HB       GLU  56  -6.399  -3.131  12.400
  485   1HG   GLU  56          2HG       GLU  56  -6.779  -1.769  14.403
  486   2HG   GLU  56          1HG       GLU  56  -7.647  -0.568  13.445
  487    H    ARG  57           H        ARG  57  -6.167  -1.889   9.723
  488    HA   ARG  57           HA       ARG  57  -4.162  -3.664   8.860
  489   1HB   ARG  57          2HB       ARG  57  -6.373  -2.910   7.699
  490   2HB   ARG  57          1HB       ARG  57  -5.385  -1.633   6.996
  491   1HG   ARG  57          2HG       ARG  57  -4.671  -4.562   6.789
  492   2HG   ARG  57          1HG       ARG  57  -5.597  -3.707   5.559
  493   1HD   ARG  57          2HD       ARG  57  -3.641  -2.009   5.583
  494   2HD   ARG  57          1HD       ARG  57  -2.748  -3.296   6.394
  495    HE   ARG  57           HE       ARG  57  -3.389  -3.260   3.582
  496   1HH1  ARG  57          1HH2      ARG  57  -3.121  -5.263   6.386
  497   2HH1  ARG  57          2HH2      ARG  57  -2.851  -6.726   5.479
  498   1HH2  ARG  57          1HH1      ARG  57  -2.975  -5.156   2.396
  499   2HH2  ARG  57          2HH1      ARG  57  -2.779  -6.660   3.233
  500    H    GLU  58           H        GLU  58  -4.280  -0.112   8.508
  501    HA   GLU  58           HA       GLU  58  -1.815   0.187   7.122
  502   1HB   GLU  58          2HB       GLU  58  -3.041   2.102   9.138
  503   2HB   GLU  58          1HB       GLU  58  -1.882   2.515   7.873
  504   1HG   GLU  58          2HG       GLU  58  -3.483   1.942   6.138
  505   2HG   GLU  58          1HG       GLU  58  -4.623   1.331   7.338
  506    H    LYS  59           H        LYS  59  -2.548  -0.084  10.587
  507    HA   LYS  59           HA       LYS  59   0.062   0.531  11.583
  508   1HB   LYS  59          2HB       LYS  59  -2.387  -0.773  12.604
  509   2HB   LYS  59          1HB       LYS  59  -0.901  -1.355  13.352
  510   1HG   LYS  59          2HG       LYS  59  -1.752   0.546  14.631
  511   2HG   LYS  59          1HG       LYS  59  -0.256   1.015  13.823
  512   1HD   LYS  59          2HD       LYS  59  -1.668   1.959  11.951
  513   2HD   LYS  59          1HD       LYS  59  -3.083   1.673  12.963
  514   1HE   LYS  59          2HE       LYS  59  -2.374   3.973  13.277
  515   2HE   LYS  59          1HE       LYS  59  -2.016   3.074  14.751
  516   1HZ   LYS  59          1HZ       LYS  59   0.099   3.044  12.788
  517   2HZ   LYS  59          2HZ       LYS  59   0.173   3.315  14.464
  518   3HZ   LYS  59          3HZ       LYS  59  -0.243   4.584  13.413
  519    H    TYR  60           H        TYR  60  -1.445  -2.542  10.608
  520    HA   TYR  60           HA       TYR  60   0.703  -4.287  11.207
  521   1HB   TYR  60          2HB       TYR  60  -1.459  -5.180  10.593
  522   2HB   TYR  60          1HB       TYR  60  -1.394  -4.389   9.021
  523    HD1  TYR  60           1HD      TYR  60  -0.159  -5.339   7.187
  524    HD2  TYR  60           2HD      TYR  60   0.076  -7.081  11.108
  525    HE1  TYR  60           1HE      TYR  60   1.004  -7.314   6.239
  526    HE2  TYR  60           2HE      TYR  60   1.233  -9.060  10.157
  527    HH   TYR  60           HH       TYR  60   2.390  -9.119   6.883
  528    H    ILE  61           H        ILE  61   0.111  -2.217   8.399
  529    HA   ILE  61           HA       ILE  61   2.174  -3.223   6.701
  530    HB   ILE  61           HB       ILE  61   1.003  -0.438   6.958
  531   1HG1  ILE  61          2HG1      ILE  61  -0.614  -2.181   6.298
  532   2HG1  ILE  61          1HG1      ILE  61  -0.276  -1.098   4.949
  533   1HG2  ILE  61          1HG2      ILE  61   3.130  -0.192   5.887
  534   2HG2  ILE  61          2HG2      ILE  61   1.925  -0.192   4.599
  535   3HG2  ILE  61          3HG2      ILE  61   2.879  -1.641   4.915
  536   1HD1  ILE  61          1HD1      ILE  61   0.464  -3.961   5.312
  537   2HD1  ILE  61          2HD1      ILE  61   1.627  -2.933   4.473
  538   3HD1  ILE  61          3HD1      ILE  61  -0.014  -3.101   3.849
  539    H    TYR  62           H        TYR  62   2.204  -0.687   9.208
  540    HA   TYR  62           HA       TYR  62   4.885   0.197   8.805
  541   1HB   TYR  62          2HB       TYR  62   3.378   0.065  11.447
  542   2HB   TYR  62          1HB       TYR  62   4.728   1.132  11.059
  543    HD1  TYR  62           1HD      TYR  62   3.744   1.624   8.115
  544    HD2  TYR  62           2HD      TYR  62   1.841   1.895  11.959
  545    HE1  TYR  62           1HE      TYR  62   2.138   3.286   7.208
  546    HE2  TYR  62           2HE      TYR  62   0.242   3.558  11.052
  547    HH   TYR  62           HH       TYR  62   0.366   5.295   8.995
  548    H    ASP  63           H        ASP  63   3.562  -2.306  10.974
  549    HA   ASP  63           HA       ASP  63   6.109  -3.135  12.015
  550   1HB   ASP  63          2HB       ASP  63   3.820  -3.617  13.020
  551   2HB   ASP  63          1HB       ASP  63   3.612  -4.832  11.759
  552    H    ARG  64           H        ARG  64   4.154  -4.141   9.240
  553    HA   ARG  64           HA       ARG  64   5.778  -6.429   8.534
  554   1HB   ARG  64          2HB       ARG  64   3.417  -6.107   7.752
  555   2HB   ARG  64          1HB       ARG  64   3.962  -4.768   6.744
  556   1HG   ARG  64          2HG       ARG  64   3.849  -6.755   5.354
  557   2HG   ARG  64          1HG       ARG  64   5.546  -6.366   5.613
  558   1HD   ARG  64          2HD       ARG  64   4.372  -8.171   7.633
  559   2HD   ARG  64          1HD       ARG  64   4.492  -8.855   6.012
  560    HE   ARG  64           HE       ARG  64   6.978  -7.596   6.691
  561   1HH1  ARG  64          1HH2      ARG  64   4.989 -10.082   7.743
  562   2HH1  ARG  64          2HH2      ARG  64   6.255 -11.012   8.453
  563   1HH2  ARG  64          1HH1      ARG  64   8.733  -8.760   7.539
  564   2HH2  ARG  64          2HH1      ARG  64   8.409 -10.263   8.349
  565    H    ILE  65           H        ILE  65   5.617  -3.083   7.293
  566    HA   ILE  65           HA       ILE  65   7.715  -3.368   5.374
  567    HB   ILE  65           HB       ILE  65   6.748  -0.928   6.895
  568   1HG1  ILE  65          2HG1      ILE  65   5.097  -2.064   5.382
  569   2HG1  ILE  65          1HG1      ILE  65   5.505  -0.429   4.867
  570   1HG2  ILE  65          1HG2      ILE  65   7.845   0.270   4.909
  571   2HG2  ILE  65          2HG2      ILE  65   8.713  -1.238   4.626
  572   3HG2  ILE  65          3HG2      ILE  65   8.928  -0.370   6.146
  573   1HD1  ILE  65          1HD1      ILE  65   6.450  -3.045   3.692
  574   2HD1  ILE  65          2HD1      ILE  65   7.282  -1.525   3.361
  575   3HD1  ILE  65          3HD1      ILE  65   5.596  -1.729   2.886
  576    H    ARG  66           H        ARG  66   7.785  -2.350   8.801
  577    HA   ARG  66           HA       ARG  66  10.506  -1.607   8.966
  578   1HB   ARG  66          2HB       ARG  66   8.614  -2.826  10.988
  579   2HB   ARG  66          1HB       ARG  66  10.285  -2.473  11.405
  580   1HG   ARG  66          2HG       ARG  66   9.983  -0.128  10.887
  581   2HG   ARG  66          1HG       ARG  66   8.359  -0.427  10.275
  582   1HD   ARG  66          2HD       ARG  66   8.235   0.435  12.563
  583   2HD   ARG  66          1HD       ARG  66   7.652  -1.218  12.509
  584    HE   ARG  66           HE       ARG  66  10.478  -1.143  13.135
  585   1HH1  ARG  66          1HH2      ARG  66   7.463  -0.353  14.433
  586   2HH1  ARG  66          2HH2      ARG  66   8.012  -0.389  16.091
  587   1HH2  ARG  66          1HH1      ARG  66  11.264  -1.219  15.241
  588   2HH2  ARG  66          2HH1      ARG  66  10.177  -0.863  16.546
  589    H    LYS  67           H        LYS  67   9.020  -4.832   9.137
  590    HA   LYS  67           HA       LYS  67  11.397  -6.261   9.875
  591   1HB   LYS  67          2HB       LYS  67   8.943  -7.171   8.336
  592   2HB   LYS  67          1HB       LYS  67  10.176  -8.256   8.976
  593   1HG   LYS  67          2HG       LYS  67   8.785  -6.286  10.786
  594   2HG   LYS  67          1HG       LYS  67   8.037  -7.838  10.407
  595   1HD   LYS  67          2HD       LYS  67  10.132  -8.982  11.170
  596   2HD   LYS  67          1HD       LYS  67  10.768  -7.412  11.661
  597   1HE   LYS  67          2HE       LYS  67   8.095  -8.374  12.674
  598   2HE   LYS  67          1HE       LYS  67   9.592  -8.869  13.464
  599   1HZ   LYS  67          1HZ       LYS  67   8.958  -6.030  12.911
  600   2HZ   LYS  67          2HZ       LYS  67  10.134  -6.657  13.964
  601   3HZ   LYS  67          3HZ       LYS  67   8.485  -6.798  14.348
  602    H    LEU  68           H        LEU  68   9.866  -5.895   6.642
  603    HA   LEU  68           HA       LEU  68  12.106  -7.049   5.234
  604   1HB   LEU  68          2HB       LEU  68   9.918  -5.170   4.288
  605   2HB   LEU  68          1HB       LEU  68  11.067  -5.971   3.219
  606    HG   LEU  68           HG       LEU  68   9.159  -7.412   5.089
  607   1HD1  LEU  68          1HD1      LEU  68   7.814  -7.868   3.155
  608   2HD1  LEU  68          2HD1      LEU  68   9.039  -7.208   2.071
  609   3HD1  LEU  68          3HD1      LEU  68   8.131  -6.132   3.133
  610   1HD2  LEU  68          1HD2      LEU  68  11.258  -8.271   3.110
  611   2HD2  LEU  68          2HD2      LEU  68   9.844  -9.291   3.372
  612   3HD2  LEU  68          3HD2      LEU  68  10.920  -8.914   4.717
  613    H    CYS  69           H        CYS  69  11.164  -3.716   6.039
  614    HA   CYS  69           HA       CYS  69  13.111  -2.322   4.546
  615   1HB   CYS  69          2HB       CYS  69  11.250  -1.257   5.830
  616   2HB   CYS  69          1HB       CYS  69  12.118  -1.612   7.324
  617    HG   CYS  69           HG       CYS  69  14.106  -0.079   6.346
  618    H    LYS  70           H        LYS  70  13.355  -3.465   7.928
  619    HA   LYS  70           HA       LYS  70  16.079  -2.725   8.310
  620   1HB   LYS  70          2HB       LYS  70  14.144  -4.534   9.629
  621   2HB   LYS  70          1HB       LYS  70  15.839  -4.946   9.872
  622   1HG   LYS  70          2HG       LYS  70  15.092  -3.428  11.649
  623   2HG   LYS  70          1HG       LYS  70  16.276  -2.617  10.624
  624   1HD   LYS  70          2HD       LYS  70  14.473  -1.501   9.387
  625   2HD   LYS  70          1HD       LYS  70  13.267  -2.334  10.369
  626   1HE   LYS  70          2HE       LYS  70  13.574  -0.111  11.289
  627   2HE   LYS  70          1HE       LYS  70  14.296  -1.268  12.407
  628   1HZ   LYS  70          1HZ       LYS  70  16.431  -0.833  11.108
  629   2HZ   LYS  70          2HZ       LYS  70  15.899   0.374  12.180
  630   3HZ   LYS  70          3HZ       LYS  70  15.644   0.545  10.508
  631    H    GLU  71           H        GLU  71  14.596  -5.626   6.930
  632    HA   GLU  71           HA       GLU  71  16.989  -7.202   6.779
  633   1HB   GLU  71          2HB       GLU  71  14.403  -7.261   5.216
  634   2HB   GLU  71          1HB       GLU  71  15.702  -8.422   4.944
  635   1HG   GLU  71          2HG       GLU  71  14.438  -7.925   7.649
  636   2HG   GLU  71          1HG       GLU  71  13.936  -9.212   6.554
  637    H    HIS  72           H        HIS  72  15.466  -4.973   4.445
  638    HA   HIS  72           HA       HIS  72  17.519  -5.507   2.432
  639   1HB   HIS  72          2HB       HIS  72  15.497  -3.254   2.507
  640   2HB   HIS  72          1HB       HIS  72  16.366  -3.857   1.096
  641    HD1  HIS  72           1HD      HIS  72  15.965  -6.693   0.879
  642    HD2  HIS  72           2HD      HIS  72  12.966  -4.345   2.582
  643    HE1  HIS  72           1HE      HIS  72  13.824  -8.041   0.726
  644    HE2  HIS  72           2HE      HIS  72  11.993  -6.620   1.758
  645    H    ASN  73           H        ASN  73  17.688  -3.916   5.278
  646    HA   ASN  73           HA       ASN  73  18.940  -2.081   6.086
  647   1HB   ASN  73          2HB       ASN  73  20.617  -3.877   5.391
  648   2HB   ASN  73          1HB       ASN  73  20.867  -2.928   3.919
  649   1HD2  ASN  73          1HD2      ASN  73  23.127  -2.498   4.696
  650   2HD2  ASN  73          2HD2      ASN  73  23.399  -1.318   5.894
  651    H    VAL  74           H        VAL  74  17.150  -1.556   3.668
  652    HA   VAL  74           HA       VAL  74  18.527   0.345   1.997
  653    HB   VAL  74           HB       VAL  74  16.166   1.114   1.459
  654   1HG1  VAL  74          1HG1      VAL  74  16.955  -0.489  -0.036
  655   2HG1  VAL  74          2HG1      VAL  74  15.533  -1.300   0.620
  656   3HG1  VAL  74          3HG1      VAL  74  17.141  -1.715   1.217
  657   1HG2  VAL  74          1HG2      VAL  74  15.540  -1.095   3.439
  658   2HG2  VAL  74          2HG2      VAL  74  14.356  -0.384   2.342
  659   3HG2  VAL  74          3HG2      VAL  74  15.108   0.607   3.593
  660    H    ASP  75           H        ASP  75  16.486   0.688   4.904
  661    HA   ASP  75           HA       ASP  75  17.917   2.985   5.838
  662   1HB   ASP  75          2HB       ASP  75  16.094   4.679   5.517
  663   2HB   ASP  75          1HB       ASP  75  16.864   4.178   4.011
  664    H    GLU  76           H        GLU  76  15.696   4.273   7.157
  665    HA   GLU  76           HA       GLU  76  14.479   2.067   8.745
  666   1HB   GLU  76          2HB       GLU  76  16.567   2.803   9.898
  667   2HB   GLU  76          1HB       GLU  76  15.918   4.441   9.971
  668   1HG   GLU  76          2HG       GLU  76  14.018   3.663  11.306
  669   2HG   GLU  76          1HG       GLU  76  14.589   1.998  11.180
  670    H    ASN  77           H        ASN  77  14.478   5.323   9.927
  671    HA   ASN  77           HA       ASN  77  11.651   5.518  10.022
  672   1HB   ASN  77          2HB       ASN  77  12.090   8.000  10.337
  673   2HB   ASN  77          1HB       ASN  77  12.938   6.932  11.454
  674   1HD2  ASN  77          1HD2      ASN  77  13.390   9.481   9.229
  675   2HD2  ASN  77          2HD2      ASN  77  15.076   9.358   9.065
  676    H    ILE  78           H        ILE  78  13.922   6.809   7.580
  677    HA   ILE  78           HA       ILE  78  12.081   8.307   6.062
  678    HB   ILE  78           HB       ILE  78  14.246   6.590   4.831
  679   1HG1  ILE  78          2HG1      ILE  78  15.356   9.078   5.314
  680   2HG1  ILE  78          1HG1      ILE  78  14.437   8.775   6.789
  681   1HG2  ILE  78          1HG2      ILE  78  13.322   9.388   4.137
  682   2HG2  ILE  78          2HG2      ILE  78  12.617   7.944   3.411
  683   3HG2  ILE  78          3HG2      ILE  78  14.324   8.308   3.167
  684   1HD1  ILE  78          1HD1      ILE  78  16.618   7.834   7.136
  685   2HD1  ILE  78          2HD1      ILE  78  16.587   7.027   5.568
  686   3HD1  ILE  78          3HD1      ILE  78  15.522   6.480   6.864
  687    H    GLY  79           H        GLY  79  12.737   4.815   5.955
  688   1HA   GLY  79          2HA       GLY  79  11.125   4.202   3.696
  689   2HA   GLY  79          1HA       GLY  79  11.510   3.067   4.989
  690    H    ILE  80           H        ILE  80  10.257   4.109   7.172
  691    HA   ILE  80           HA       ILE  80   7.531   3.358   6.748
  692    HB   ILE  80           HB       ILE  80   8.980   4.726   9.006
  693   1HG1  ILE  80          2HG1      ILE  80   8.440   2.621  10.162
  694   2HG1  ILE  80          1HG1      ILE  80   7.539   2.066   8.749
  695   1HG2  ILE  80          1HG2      ILE  80   6.854   5.722   9.222
  696   2HG2  ILE  80          2HG2      ILE  80   6.746   4.296  10.254
  697   3HG2  ILE  80          3HG2      ILE  80   6.020   4.279   8.646
  698   1HD1  ILE  80          1HD1      ILE  80   9.496   1.881   7.430
  699   2HD1  ILE  80          2HD1      ILE  80   9.979   1.243   9.001
  700   3HD1  ILE  80          3HD1      ILE  80  10.438   2.881   8.536
  701    H    LYS  81           H        LYS  81   9.049   6.568   7.065
  702    HA   LYS  81           HA       LYS  81   6.685   8.134   7.053
  703   1HB   LYS  81          2HB       LYS  81   9.437   8.710   5.939
  704   2HB   LYS  81          1HB       LYS  81   8.157   9.918   6.032
  705   1HG   LYS  81          2HG       LYS  81   8.021   9.557   8.486
  706   2HG   LYS  81          1HG       LYS  81   9.333   8.386   8.369
  707   1HD   LYS  81          2HD       LYS  81  10.840  10.117   7.510
  708   2HD   LYS  81          1HD       LYS  81   9.535  11.302   7.561
  709   1HE   LYS  81          2HE       LYS  81   9.361  11.010  10.009
  710   2HE   LYS  81          1HE       LYS  81  10.664   9.822   9.958
  711   1HZ   LYS  81          1HZ       LYS  81  10.962  12.516  10.265
  712   2HZ   LYS  81          2HZ       LYS  81  11.363  12.258   8.635
  713   3HZ   LYS  81          3HZ       LYS  81  12.189  11.417   9.858
  714    H    ILE  82           H        ILE  82   8.537   6.795   4.321
  715    HA   ILE  82           HA       ILE  82   7.087   8.129   2.244
  716    HB   ILE  82           HB       ILE  82   8.583   5.502   2.290
  717   1HG1  ILE  82          2HG1      ILE  82   9.347   8.168   1.073
  718   2HG1  ILE  82          1HG1      ILE  82   9.805   7.698   2.711
  719   1HG2  ILE  82          1HG2      ILE  82   8.608   5.895  -0.247
  720   2HG2  ILE  82          2HG2      ILE  82   7.295   7.039   0.025
  721   3HG2  ILE  82          3HG2      ILE  82   7.084   5.340   0.442
  722   1HD1  ILE  82          1HD1      ILE  82  10.497   6.180   0.176
  723   2HD1  ILE  82          2HD1      ILE  82  10.936   5.689   1.811
  724   3HD1  ILE  82          3HD1      ILE  82  11.611   7.166   1.125
  725    H    PHE  83           H        PHE  83   6.607   4.904   3.717
  726    HA   PHE  83           HA       PHE  83   4.400   4.140   2.075
  727   1HB   PHE  83          2HB       PHE  83   5.453   3.308   4.754
  728   2HB   PHE  83          1HB       PHE  83   3.852   2.749   4.268
  729    HD1  PHE  83           1HD      PHE  83   3.584   1.472   2.110
  730    HD2  PHE  83           2HD      PHE  83   7.435   2.398   3.777
  731    HE1  PHE  83           1HE      PHE  83   4.624  -0.253   0.663
  732    HE2  PHE  83           2HE      PHE  83   8.473   0.670   2.331
  733    HZ   PHE  83           HZ       PHE  83   7.068  -0.656   0.775
  734    H    GLN  84           H        GLN  84   4.472   5.729   5.273
  735    HA   GLN  84           HA       GLN  84   1.725   5.940   5.770
  736   1HB   GLN  84          2HB       GLN  84   3.839   6.795   7.100
  737   2HB   GLN  84          1HB       GLN  84   3.510   8.307   6.256
  738   1HG   GLN  84          2HG       GLN  84   1.523   6.775   7.965
  739   2HG   GLN  84          1HG       GLN  84   2.373   8.244   8.453
  740   1HE2  GLN  84          1HE2      GLN  84  -0.602   7.347   7.448
  741   2HE2  GLN  84          2HE2      GLN  84  -1.050   8.715   6.538
  742    H    ARG  85           H        ARG  85   3.741   7.832   3.570
  743    HA   ARG  85           HA       ARG  85   1.779   9.832   2.939
  744   1HB   ARG  85          2HB       ARG  85   4.161   8.767   1.389
  745   2HB   ARG  85          1HB       ARG  85   3.180  10.119   0.833
  746   1HG   ARG  85          2HG       ARG  85   3.727  11.378   2.884
  747   2HG   ARG  85          1HG       ARG  85   4.675  10.014   3.484
  748   1HD   ARG  85          2HD       ARG  85   6.181  10.241   1.506
  749   2HD   ARG  85          1HD       ARG  85   5.216  11.578   0.937
  750    HE   ARG  85           HE       ARG  85   7.279  11.676   2.978
  751   1HH1  ARG  85          1HH2      ARG  85   4.155  12.853   2.079
  752   2HH1  ARG  85          2HH2      ARG  85   4.337  14.376   2.891
  753   1HH2  ARG  85          1HH1      ARG  85   7.484  13.666   4.145
  754   2HH2  ARG  85          2HH1      ARG  85   6.204  14.829   4.046
  755    H    LEU  86           H        LEU  86   2.549   6.657   1.530
  756    HA   LEU  86           HA       LEU  86   0.638   6.823  -0.628
  757   1HB   LEU  86          2HB       LEU  86   2.183   4.619   0.697
  758   2HB   LEU  86          1HB       LEU  86   0.862   4.199  -0.389
  759    HG   LEU  86           HG       LEU  86   1.909   5.636  -2.144
  760   1HD1  LEU  86          1HD1      LEU  86   4.293   6.298  -1.780
  761   2HD1  LEU  86          2HD1      LEU  86   4.135   5.812  -0.092
  762   3HD1  LEU  86          3HD1      LEU  86   3.172   7.149  -0.718
  763   1HD2  LEU  86          1HD2      LEU  86   3.744   4.075  -2.661
  764   2HD2  LEU  86          2HD2      LEU  86   2.330   3.201  -2.072
  765   3HD2  LEU  86          3HD2      LEU  86   3.707   3.472  -1.003
  766    H    ILE  87           H        ILE  87   0.421   5.924   2.755
  767    HA   ILE  87           HA       ILE  87  -2.087   4.513   2.606
  768    HB   ILE  87           HB       ILE  87  -0.796   6.032   4.892
  769   1HG1  ILE  87          2HG1      ILE  87   0.532   4.132   4.051
  770   2HG1  ILE  87          1HG1      ILE  87  -0.135   3.768   5.642
  771   1HG2  ILE  87          1HG2      ILE  87  -3.129   5.832   5.395
  772   2HG2  ILE  87          2HG2      ILE  87  -2.316   4.543   6.282
  773   3HG2  ILE  87          3HG2      ILE  87  -3.184   4.176   4.791
  774   1HD1  ILE  87          1HD1      ILE  87  -0.719   1.824   4.544
  775   2HD1  ILE  87          2HD1      ILE  87  -0.853   2.623   2.978
  776   3HD1  ILE  87          3HD1      ILE  87  -2.142   2.798   4.169
  777    H    GLU  88           H        GLU  88  -1.257   7.927   3.184
  778    HA   GLU  88           HA       GLU  88  -3.921   8.827   3.731
  779   1HB   GLU  88          2HB       GLU  88  -1.541  10.283   2.539
  780   2HB   GLU  88          1HB       GLU  88  -3.015  11.075   3.094
  781   1HG   GLU  88          2HG       GLU  88  -1.221   9.352   4.835
  782   2HG   GLU  88          1HG       GLU  88  -1.213  11.117   4.814
  783    H    HIS  89           H        HIS  89  -2.011   8.986   0.707
  784    HA   HIS  89           HA       HIS  89  -4.085   9.995  -0.939
  785   1HB   HIS  89          2HB       HIS  89  -2.597   9.699  -2.654
  786   2HB   HIS  89          1HB       HIS  89  -1.471   9.438  -1.326
  787    HD1  HIS  89           1HD      HIS  89  -2.460   6.554  -0.546
  788    HD2  HIS  89           2HD      HIS  89  -1.516   7.795  -4.415
  789    HE1  HIS  89           1HE      HIS  89  -1.827   4.466  -1.835
  790    HE2  HIS  89           2HE      HIS  89  -1.250   5.210  -4.190
  791    H    ASN  90           H        ASN  90  -3.585   6.838   0.386
  792    HA   ASN  90           HA       ASN  90  -5.261   5.381  -1.488
  793   1HB   ASN  90          2HB       ASN  90  -3.482   4.512   0.253
  794   2HB   ASN  90          1HB       ASN  90  -4.840   4.547   1.376
  795   1HD2  ASN  90          1HD2      ASN  90  -6.841   3.278   0.646
  796   2HD2  ASN  90          2HD2      ASN  90  -6.602   1.889  -0.301
  797    H    LYS  91           H        LYS  91  -5.757   6.721   1.792
  798    HA   LYS  91           HA       LYS  91  -8.619   6.124   1.765
  799   1HB   LYS  91          2HB       LYS  91  -6.893   7.814   3.610
  800   2HB   LYS  91          1HB       LYS  91  -8.609   7.507   3.876
  801   1HG   LYS  91          2HG       LYS  91  -8.065   5.025   3.796
  802   2HG   LYS  91          1HG       LYS  91  -6.361   5.477   3.832
  803   1HD   LYS  91          2HD       LYS  91  -8.364   6.397   5.913
  804   2HD   LYS  91          1HD       LYS  91  -7.363   4.958   6.104
  805   1HE   LYS  91          2HE       LYS  91  -5.354   6.489   5.643
  806   2HE   LYS  91          1HE       LYS  91  -6.464   7.837   5.886
  807   1HZ   LYS  91          1HZ       LYS  91  -6.283   5.669   7.877
  808   2HZ   LYS  91          2HZ       LYS  91  -6.808   7.272   8.085
  809   3HZ   LYS  91          3HZ       LYS  91  -5.155   6.936   7.887
  810    H    ALA  92           H        ALA  92  -6.619   8.562   0.511
  811    HA   ALA  92           HA       ALA  92  -8.430  10.808   0.693
  812   1HB   ALA  92          1HB       ALA  92  -6.300  10.453  -1.416
  813   2HB   ALA  92          2HB       ALA  92  -5.907  10.850   0.257
  814   3HB   ALA  92          3HB       ALA  92  -6.900  11.949  -0.699
  815    H    LEU  93           H        LEU  93  -7.477   8.854  -2.176
  816    HA   LEU  93           HA       LEU  93  -9.747   9.922  -3.661
  817   1HB   LEU  93          2HB       LEU  93  -8.700   9.124  -5.512
  818   2HB   LEU  93          1HB       LEU  93  -7.322   9.028  -4.428
  819    HG   LEU  93           HG       LEU  93  -7.416   6.943  -5.557
  820   1HD1  LEU  93          1HD1      LEU  93  -7.791   7.106  -2.772
  821   2HD1  LEU  93          2HD1      LEU  93  -7.078   5.775  -3.686
  822   3HD1  LEU  93          3HD1      LEU  93  -8.803   5.770  -3.322
  823   1HD2  LEU  93          1HD2      LEU  93  -9.310   6.072  -6.385
  824   2HD2  LEU  93          2HD2      LEU  93 -10.158   7.479  -5.745
  825   3HD2  LEU  93          3HD2      LEU  93 -10.048   6.002  -4.785
  826    H    GLN  94           H        GLN  94  -9.315   7.285  -1.536
  827    HA   GLN  94           HA       GLN  94 -11.330   5.511  -2.605
  828   1HB   GLN  94          2HB       GLN  94  -9.870   5.858  -0.034
  829   2HB   GLN  94          1HB       GLN  94 -11.417   5.016   0.054
  830   1HG   GLN  94          2HG       GLN  94 -10.643   3.523  -1.814
  831   2HG   GLN  94          1HG       GLN  94  -9.050   4.275  -1.694
  832   1HE2  GLN  94          1HE2      GLN  94  -8.217   4.308   0.754
  833   2HE2  GLN  94          2HE2      GLN  94  -8.418   2.836   1.592
  834    H    LYS  95           H        LYS  95 -11.393   8.043  -0.085
  835    HA   LYS  95           HA       LYS  95 -14.211   7.830   0.444
  836   1HB   LYS  95          2HB       LYS  95 -12.265  10.120   0.889
  837   2HB   LYS  95          1HB       LYS  95 -13.910  10.082   1.519
  838   1HG   LYS  95          2HG       LYS  95 -13.379   8.012   2.770
  839   2HG   LYS  95          1HG       LYS  95 -11.725   8.074   2.158
  840   1HD   LYS  95          2HD       LYS  95 -11.400  10.271   3.234
  841   2HD   LYS  95          1HD       LYS  95 -13.057  10.226   3.835
  842   1HE   LYS  95          2HE       LYS  95 -12.539   8.195   5.134
  843   2HE   LYS  95          1HE       LYS  95 -10.882   8.224   4.527
  844   1HZ   LYS  95          1HZ       LYS  95 -11.364   9.276   6.795
  845   2HZ   LYS  95          2HZ       LYS  95 -12.032  10.566   5.913
  846   3HZ   LYS  95          3HZ       LYS  95 -10.399  10.146   5.704
  847    H    GLN  96           H        GLN  96 -12.310   9.997  -1.661
  848    HA   GLN  96           HA       GLN  96 -14.565  11.549  -2.541
  849   1HB   GLN  96          2HB       GLN  96 -13.045  12.665  -3.852
  850   2HB   GLN  96          1HB       GLN  96 -11.893  11.844  -2.801
  851   1HG   GLN  96          2HG       GLN  96 -11.865   9.941  -4.474
  852   2HG   GLN  96          1HG       GLN  96 -12.807  10.970  -5.552
  853   1HE2  GLN  96          1HE2      GLN  96 -11.173  11.362  -7.143
  854   2HE2  GLN  96          2HE2      GLN  96  -9.725  12.178  -6.798
  855    H    TYR  97           H        TYR  97 -13.098   8.551  -3.655
  856    HA   TYR  97           HA       TYR  97 -14.496   8.388  -6.170
  857   1HB   TYR  97          2HB       TYR  97 -12.549   7.020  -5.872
  858   2HB   TYR  97          1HB       TYR  97 -13.191   6.320  -4.386
  859    HD1  TYR  97           1HD      TYR  97 -14.557   4.382  -4.443
  860    HD2  TYR  97           2HD      TYR  97 -13.782   6.560  -8.063
  861    HE1  TYR  97           1HE      TYR  97 -15.649   2.584  -5.758
  862    HE2  TYR  97           2HE      TYR  97 -14.872   4.762  -9.378
  863    HH   TYR  97           HH       TYR  97 -15.771   1.723  -7.945
  864    H    LEU  98           H        LEU  98 -15.101   6.798  -3.014
  865    HA   LEU  98           HA       LEU  98 -17.517   5.501  -3.782
  866   1HB   LEU  98          2HB       LEU  98 -16.546   6.476  -1.085
  867   2HB   LEU  98          1HB       LEU  98 -18.019   5.532  -1.289
  868    HG   LEU  98           HG       LEU  98 -15.271   4.622  -2.204
  869   1HD1  LEU  98          1HD1      LEU  98 -15.113   4.585   0.140
  870   2HD1  LEU  98          2HD1      LEU  98 -15.720   2.969  -0.223
  871   3HD1  LEU  98          3HD1      LEU  98 -16.827   4.220   0.342
  872   1HD2  LEU  98          1HD2      LEU  98 -16.773   3.370  -3.474
  873   2HD2  LEU  98          2HD2      LEU  98 -18.039   3.458  -2.249
  874   3HD2  LEU  98          3HD2      LEU  98 -16.667   2.374  -2.023
  875    H    GLU  99           H        GLU  99 -16.938   8.729  -2.401
  876    HA   GLU  99           HA       GLU  99 -19.686   9.473  -2.080
  877   1HB   GLU  99          2HB       GLU  99 -17.179  11.109  -2.528
  878   2HB   GLU  99          1HB       GLU  99 -18.759  11.836  -2.234
  879   1HG   GLU  99          2HG       GLU  99 -18.932  10.684  -0.083
  880   2HG   GLU  99          1HG       GLU  99 -17.405   9.852  -0.383
  881    H    GLU 100           H        GLU 100 -17.451   9.769  -4.821
  882    HA   GLU 100           HA       GLU 100 -19.314  11.272  -6.449
  883   1HB   GLU 100          2HB       GLU 100 -17.602  11.408  -7.936
  884   2HB   GLU 100          1HB       GLU 100 -16.647  10.815  -6.581
  885   1HG   GLU 100          2HG       GLU 100 -16.048   9.347  -8.305
  886   2HG   GLU 100          1HG       GLU 100 -17.306   8.444  -7.461
  887    H    THR 101           H        THR 101 -19.026   7.934  -5.673
  888    HA   THR 101           HA       THR 101 -20.405   7.018  -8.111
  889    HB   THR 101           HB       THR 101 -20.513   4.838  -6.731
  890    HG1  THR 101           1HG      THR 101 -18.992   6.562  -5.102
  891   1HG2  THR 101          1HG2      THR 101 -18.896   5.040  -8.480
  892   2HG2  THR 101          2HG2      THR 101 -18.012   4.483  -7.060
  893   3HG2  THR 101          3HG2      THR 101 -17.925   6.177  -7.545
  894    H    LEU 102           H        LEU 102 -21.185   7.943  -4.819
  895    HA   LEU 102           HA       LEU 102 -23.888   6.846  -4.874
  896   1HB   LEU 102          2HB       LEU 102 -22.628   8.940  -3.068
  897   2HB   LEU 102          1HB       LEU 102 -24.209   8.204  -2.809
  898    HG   LEU 102           HG       LEU 102 -21.616   6.643  -2.987
  899   1HD1  LEU 102          1HD1      LEU 102 -23.220   7.637  -0.621
  900   2HD1  LEU 102          2HD1      LEU 102 -21.516   7.934  -0.967
  901   3HD1  LEU 102          3HD1      LEU 102 -22.054   6.321  -0.498
  902   1HD2  LEU 102          1HD2      LEU 102 -23.291   5.114  -3.516
  903   2HD2  LEU 102          2HD2      LEU 102 -24.508   5.962  -2.561
  904   3HD2  LEU 102          3HD2      LEU 102 -23.279   4.986  -1.757
  905    H    GLU 103           H        GLU 103 -22.353   9.831  -5.845
  906    HA   GLU 103           HA       GLU 103 -24.852  11.345  -6.083
  907   1HB   GLU 103          2HB       GLU 103 -22.038  11.843  -7.103
  908   2HB   GLU 103          1HB       GLU 103 -23.366  12.988  -7.276
  909   1HG   GLU 103          2HG       GLU 103 -23.598  13.131  -4.844
  910   2HG   GLU 103          1HG       GLU 103 -22.329  11.922  -4.632
  911    H    HIS 104           H        HIS 104 -23.205   9.024  -7.908
  912    HA   HIS 104           HA       HIS 104 -24.996   9.487 -10.236
  913   1HB   HIS 104          2HB       HIS 104 -21.970   9.152 -10.440
  914   2HB   HIS 104          1HB       HIS 104 -23.078   9.117 -11.811
  915    HD1  HIS 104           1HD      HIS 104 -20.789  11.362 -10.604
  916    HD2  HIS 104           2HD      HIS 104 -24.892  11.760 -11.252
  917    HE1  HIS 104           1HE      HIS 104 -21.261  13.850 -10.714
  918    HE2  HIS 104           2HE      HIS 104 -23.753  14.104 -11.107
  919    H2   TSA 501           1H2      TSA 501  -4.018  -0.486   4.444
  920    H3   TSA 501           1H3      TSA 501  -6.175  -0.580   5.674
  921    H4   TSA 501           4H       TSA 501  -8.153   0.566   4.730
  922    HO5  TSA 501           HO5      TSA 501  -7.037   1.687   6.364
  923    H5   TSA 501           5H       TSA 501  -7.716   2.616   3.167
  924   1H6   TSA 501          1H6       TSA 501  -5.600   2.498   1.823
  925   2H6   TSA 501          2H6       TSA 501  -5.170   2.641   3.469
  926    H8   TSA 501           8H       TSA 501  -7.495  -0.508   0.643
  927   1H9   TSA 501          1H9       TSA 501  -5.115  -1.162   1.490
  928   2H9   TSA 501          2H9       TSA 501  -5.274   0.201   0.551
  Start of MODEL    4
    1   1H    MET   1          1HT       MET   1 -12.908  -9.041   5.518
    2   2H    MET   1          2HT       MET   1 -11.674 -10.205   5.417
    3   3H    MET   1          3HT       MET   1 -12.111  -9.554   6.924
    4    HA   MET   1           HA       MET   1 -13.035 -11.747   6.737
    5   1HB   MET   1          2HB       MET   1 -15.095  -9.543   6.371
    6   2HB   MET   1          1HB       MET   1 -15.443 -11.156   6.995
    7   1HG   MET   1          2HG       MET   1 -13.476  -9.213   8.252
    8   2HG   MET   1          1HG       MET   1 -15.125  -9.472   8.818
    9   1HE   MET   1          1HE       MET   1 -15.372 -12.791  10.278
   10   2HE   MET   1          2HE       MET   1 -15.376 -12.922   8.521
   11   3HE   MET   1          3HE       MET   1 -16.116 -11.523   9.294
   12    H    ILE   2           H        ILE   2 -12.494 -10.382   3.883
   13    HA   ILE   2           HA       ILE   2 -14.218 -12.352   2.449
   14    HB   ILE   2           HB       ILE   2 -15.269 -10.132   2.211
   15   1HG1  ILE   2          2HG1      ILE   2 -15.268 -10.032  -0.260
   16   2HG1  ILE   2          1HG1      ILE   2 -13.818 -11.035  -0.297
   17   1HG2  ILE   2          1HG2      ILE   2 -12.967  -8.970   2.521
   18   2HG2  ILE   2          2HG2      ILE   2 -14.123  -8.236   1.409
   19   3HG2  ILE   2          3HG2      ILE   2 -12.784  -9.199   0.782
   20   1HD1  ILE   2          1HD1      ILE   2 -14.955 -12.949   0.343
   21   2HD1  ILE   2          2HD1      ILE   2 -16.230 -12.122  -0.550
   22   3HD1  ILE   2          3HD1      ILE   2 -16.195 -12.046   1.212
   23    H    GLU   3           H        GLU   3 -13.175 -13.350   0.709
   24    HA   GLU   3           HA       GLU   3 -10.299 -13.361   0.719
   25   1HB   GLU   3          2HB       GLU   3 -12.313 -14.458  -1.265
   26   2HB   GLU   3          1HB       GLU   3 -10.578 -14.756  -1.365
   27   1HG   GLU   3          2HG       GLU   3 -10.599 -15.805   0.848
   28   2HG   GLU   3          1HG       GLU   3 -12.321 -15.461   1.014
   29    H    LYS   4           H        LYS   4 -12.704 -11.832  -1.391
   30    HA   LYS   4           HA       LYS   4 -11.077 -10.959  -3.498
   31   1HB   LYS   4          2HB       LYS   4 -13.401  -9.561  -2.133
   32   2HB   LYS   4          1HB       LYS   4 -12.683  -9.007  -3.648
   33   1HG   LYS   4          2HG       LYS   4 -13.158 -11.245  -4.651
   34   2HG   LYS   4          1HG       LYS   4 -13.974 -11.710  -3.157
   35   1HD   LYS   4          2HD       LYS   4 -14.769  -9.236  -4.704
   36   2HD   LYS   4          1HD       LYS   4 -15.467 -10.816  -5.050
   37   1HE   LYS   4          2HE       LYS   4 -16.033 -10.955  -2.557
   38   2HE   LYS   4          1HE       LYS   4 -15.633  -9.239  -2.476
   39   1HZ   LYS   4          1HZ       LYS   4 -17.629 -10.407  -4.339
   40   2HZ   LYS   4          2HZ       LYS   4 -17.307  -8.756  -4.093
   41   3HZ   LYS   4          3HZ       LYS   4 -18.017  -9.680  -2.856
   42    H    LEU   5           H        LEU   5 -11.610  -9.365  -0.353
   43    HA   LEU   5           HA       LEU   5  -9.894  -7.110  -0.856
   44   1HB   LEU   5          2HB       LEU   5 -11.573  -7.087   0.921
   45   2HB   LEU   5          1HB       LEU   5 -10.770  -8.431   1.728
   46    HG   LEU   5           HG       LEU   5  -9.020  -6.112   1.192
   47   1HD1  LEU   5          1HD1      LEU   5  -9.984  -4.822   3.105
   48   2HD1  LEU   5          2HD1      LEU   5 -11.346  -5.942   3.136
   49   3HD1  LEU   5          3HD1      LEU   5 -11.086  -4.909   1.731
   50   1HD2  LEU   5          1HD2      LEU   5  -8.595  -8.242   2.606
   51   2HD2  LEU   5          2HD2      LEU   5  -9.636  -7.490   3.814
   52   3HD2  LEU   5          3HD2      LEU   5  -8.141  -6.695   3.320
   53    H    ALA   6           H        ALA   6  -9.353 -10.307   0.561
   54    HA   ALA   6           HA       ALA   6  -6.708  -9.883   1.523
   55   1HB   ALA   6          1HB       ALA   6  -6.508 -12.306   1.521
   56   2HB   ALA   6          2HB       ALA   6  -7.860 -12.450   0.398
   57   3HB   ALA   6          3HB       ALA   6  -8.135 -11.870   2.040
   58    H    GLU   7           H        GLU   7  -7.556 -11.697  -1.462
   59    HA   GLU   7           HA       GLU   7  -4.992 -11.815  -2.558
   60   1HB   GLU   7          2HB       GLU   7  -7.660 -11.503  -3.950
   61   2HB   GLU   7          1HB       GLU   7  -6.157 -11.851  -4.805
   62   1HG   GLU   7          2HG       GLU   7  -7.083 -13.988  -4.432
   63   2HG   GLU   7          1HG       GLU   7  -5.904 -13.814  -3.130
   64    H    ILE   8           H        ILE   8  -7.269  -9.106  -2.627
   65    HA   ILE   8           HA       ILE   8  -5.867  -7.486  -4.522
   66    HB   ILE   8           HB       ILE   8  -7.751  -6.868  -2.256
   67   1HG1  ILE   8          2HG1      ILE   8  -8.001  -6.426  -5.244
   68   2HG1  ILE   8          1HG1      ILE   8  -8.537  -7.900  -4.436
   69   1HG2  ILE   8          1HG2      ILE   8  -6.672  -4.842  -2.197
   70   2HG2  ILE   8          2HG2      ILE   8  -7.697  -4.537  -3.600
   71   3HG2  ILE   8          3HG2      ILE   8  -6.017  -5.027  -3.823
   72   1HD1  ILE   8          1HD1      ILE   8 -10.137  -6.689  -3.109
   73   2HD1  ILE   8          2HD1      ILE   8 -10.346  -6.151  -4.776
   74   3HD1  ILE   8          3HD1      ILE   8  -9.477  -5.137  -3.624
   75    H    ARG   9           H        ARG   9  -5.699  -7.555  -0.946
   76    HA   ARG   9           HA       ARG   9  -3.648  -5.534  -0.790
   77   1HB   ARG   9          2HB       ARG   9  -4.511  -7.687   1.181
   78   2HB   ARG   9          1HB       ARG   9  -3.369  -6.396   1.564
   79   1HG   ARG   9          2HG       ARG   9  -5.188  -4.760   0.768
   80   2HG   ARG   9          1HG       ARG   9  -6.302  -6.126   0.839
   81   1HD   ARG   9          2HD       ARG   9  -5.661  -6.476   3.227
   82   2HD   ARG   9          1HD       ARG   9  -4.628  -5.052   3.125
   83    HE   ARG   9           HE       ARG   9  -7.084  -4.077   2.341
   84   1HH1  ARG   9          1HH2      ARG   9  -5.949  -5.984   4.977
   85   2HH1  ARG   9          2HH2      ARG   9  -6.968  -5.214   6.152
   86   1HH2  ARG   9          1HH1      ARG   9  -8.507  -3.136   3.843
   87   2HH2  ARG   9          2HH1      ARG   9  -8.400  -3.586   5.513
   88    H    LYS  10           H        LYS  10  -3.593  -8.907  -1.560
   89    HA   LYS  10           HA       LYS  10  -0.837  -9.441  -0.868
   90   1HB   LYS  10          2HB       LYS  10  -2.986 -10.765  -2.433
   91   2HB   LYS  10          1HB       LYS  10  -1.345 -11.136  -2.962
   92   1HG   LYS  10          2HG       LYS  10  -1.932 -12.773  -1.290
   93   2HG   LYS  10          1HG       LYS  10  -0.788 -11.658  -0.542
   94   1HD   LYS  10          2HD       LYS  10  -2.690 -10.392   0.437
   95   2HD   LYS  10          1HD       LYS  10  -3.807 -11.566  -0.259
   96   1HE   LYS  10          2HE       LYS  10  -2.792 -13.362   1.055
   97   2HE   LYS  10          1HE       LYS  10  -1.593 -12.242   1.702
   98   1HZ   LYS  10          1HZ       LYS  10  -3.037 -11.449   3.179
   99   2HZ   LYS  10          2HZ       LYS  10  -3.997 -12.806   2.825
  100   3HZ   LYS  10          3HZ       LYS  10  -4.290 -11.327   2.043
  101    H    LYS  11           H        LYS  11  -2.501  -8.116  -3.703
  102    HA   LYS  11           HA       LYS  11  -0.264  -8.050  -5.482
  103   1HB   LYS  11          2HB       LYS  11  -2.574  -6.077  -5.283
  104   2HB   LYS  11          1HB       LYS  11  -1.502  -6.265  -6.668
  105   1HG   LYS  11          2HG       LYS  11  -2.275  -8.787  -6.545
  106   2HG   LYS  11          1HG       LYS  11  -3.650  -8.109  -5.673
  107   1HD   LYS  11          2HD       LYS  11  -4.114  -6.588  -7.548
  108   2HD   LYS  11          1HD       LYS  11  -2.715  -7.216  -8.420
  109   1HE   LYS  11          2HE       LYS  11  -3.753  -9.484  -8.382
  110   2HE   LYS  11          1HE       LYS  11  -5.178  -8.788  -7.610
  111   1HZ   LYS  11          1HZ       LYS  11  -5.051  -7.172  -9.637
  112   2HZ   LYS  11          2HZ       LYS  11  -5.784  -8.696  -9.794
  113   3HZ   LYS  11          3HZ       LYS  11  -4.199  -8.451 -10.354
  114    H    ILE  12           H        ILE  12  -1.433  -5.778  -3.014
  115    HA   ILE  12           HA       ILE  12   0.439  -3.686  -3.439
  116    HB   ILE  12           HB       ILE  12  -1.037  -4.693  -1.008
  117   1HG1  ILE  12          2HG1      ILE  12  -2.234  -2.601  -1.214
  118   2HG1  ILE  12          1HG1      ILE  12  -1.096  -2.008  -2.423
  119   1HG2  ILE  12          1HG2      ILE  12   0.960  -3.903  -0.001
  120   2HG2  ILE  12          2HG2      ILE  12  -0.150  -2.536   0.090
  121   3HG2  ILE  12          3HG2      ILE  12   1.108  -2.570  -1.145
  122   1HD1  ILE  12          1HD1      ILE  12  -2.721  -4.521  -2.838
  123   2HD1  ILE  12          2HD1      ILE  12  -1.850  -3.580  -4.048
  124   3HD1  ILE  12          3HD1      ILE  12  -3.315  -2.930  -3.311
  125    H    ASP  13           H        ASP  13   0.688  -6.750  -1.715
  126    HA   ASP  13           HA       ASP  13   3.179  -6.338  -0.411
  127   1HB   ASP  13          2HB       ASP  13   1.553  -8.311  -0.165
  128   2HB   ASP  13          1HB       ASP  13   2.288  -8.966  -1.627
  129    H    GLU  14           H        GLU  14   2.430  -7.557  -3.677
  130    HA   GLU  14           HA       GLU  14   5.102  -8.067  -4.508
  131   1HB   GLU  14          2HB       GLU  14   2.672  -7.171  -6.084
  132   2HB   GLU  14          1HB       GLU  14   4.187  -7.673  -6.832
  133   1HG   GLU  14          2HG       GLU  14   4.001  -9.884  -5.780
  134   2HG   GLU  14          1HG       GLU  14   2.517  -9.387  -4.967
  135    H    ILE  15           H        ILE  15   3.293  -5.100  -4.133
  136    HA   ILE  15           HA       ILE  15   5.281  -3.484  -5.583
  137    HB   ILE  15           HB       ILE  15   2.759  -2.868  -4.043
  138   1HG1  ILE  15          2HG1      ILE  15   2.331  -1.667  -6.294
  139   2HG1  ILE  15          1HG1      ILE  15   3.727  -2.565  -6.889
  140   1HG2  ILE  15          1HG2      ILE  15   3.324  -0.433  -4.782
  141   2HG2  ILE  15          2HG2      ILE  15   4.990  -1.009  -4.842
  142   3HG2  ILE  15          3HG2      ILE  15   4.089  -1.071  -3.327
  143   1HD1  ILE  15          1HD1      ILE  15   1.574  -3.753  -7.330
  144   2HD1  ILE  15          2HD1      ILE  15   1.291  -3.828  -5.591
  145   3HD1  ILE  15          3HD1      ILE  15   2.660  -4.686  -6.300
  146    H    ASP  16           H        ASP  16   4.346  -4.165  -2.236
  147    HA   ASP  16           HA       ASP  16   5.937  -2.273  -0.891
  148   1HB   ASP  16          2HB       ASP  16   4.326  -3.697   0.280
  149   2HB   ASP  16          1HB       ASP  16   5.272  -5.134  -0.104
  150    H    ASN  17           H        ASN  17   6.835  -5.627  -1.776
  151    HA   ASN  17           HA       ASN  17   9.581  -5.365  -1.002
  152   1HB   ASN  17          2HB       ASN  17   8.134  -7.222  -2.906
  153   2HB   ASN  17          1HB       ASN  17   9.871  -7.331  -2.628
  154   1HD2  ASN  17          1HD2      ASN  17   8.186  -9.486  -1.868
  155   2HD2  ASN  17          2HD2      ASN  17   8.139  -9.578  -0.168
  156    H    LYS  18           H        LYS  18   7.878  -4.787  -4.051
  157    HA   LYS  18           HA       LYS  18  10.158  -4.452  -5.729
  158   1HB   LYS  18          2HB       LYS  18   7.774  -4.694  -6.490
  159   2HB   LYS  18          1HB       LYS  18   7.490  -3.034  -5.972
  160   1HG   LYS  18          2HG       LYS  18   9.207  -2.230  -7.539
  161   2HG   LYS  18          1HG       LYS  18   9.542  -3.888  -8.038
  162   1HD   LYS  18          2HD       LYS  18   7.173  -4.113  -8.787
  163   2HD   LYS  18          1HD       LYS  18   6.904  -2.423  -8.366
  164   1HE   LYS  18          2HE       LYS  18   9.097  -3.246 -10.272
  165   2HE   LYS  18          1HE       LYS  18   7.455  -2.934 -10.831
  166   1HZ   LYS  18          1HZ       LYS  18   8.536  -0.912  -9.072
  167   2HZ   LYS  18          2HZ       LYS  18   7.681  -0.742 -10.531
  168   3HZ   LYS  18          3HZ       LYS  18   9.351  -1.055 -10.552
  169    H    ILE  19           H        ILE  19   8.315  -2.032  -3.836
  170    HA   ILE  19           HA       ILE  19   9.993   0.167  -4.722
  171    HB   ILE  19           HB       ILE  19   7.626   0.392  -3.893
  172   1HG1  ILE  19          2HG1      ILE  19   9.959   2.009  -2.998
  173   2HG1  ILE  19          1HG1      ILE  19   8.577   2.479  -3.986
  174   1HG2  ILE  19          1HG2      ILE  19   8.861   0.191  -1.144
  175   2HG2  ILE  19          2HG2      ILE  19   8.062  -1.176  -1.922
  176   3HG2  ILE  19          3HG2      ILE  19   7.149   0.289  -1.558
  177   1HD1  ILE  19          1HD1      ILE  19   8.707   2.204  -0.980
  178   2HD1  ILE  19          2HD1      ILE  19   7.174   2.283  -1.850
  179   3HD1  ILE  19          3HD1      ILE  19   8.301   3.638  -1.923
  180    H    LEU  20           H        LEU  20  10.159  -2.158  -2.109
  181    HA   LEU  20           HA       LEU  20  12.189  -0.609  -0.641
  182   1HB   LEU  20          2HB       LEU  20  11.151  -3.442  -0.298
  183   2HB   LEU  20          1HB       LEU  20  12.331  -2.684   0.769
  184    HG   LEU  20           HG       LEU  20   9.607  -1.476   0.230
  185   1HD1  LEU  20          1HD1      LEU  20   9.247  -3.665   1.225
  186   2HD1  LEU  20          2HD1      LEU  20   8.997  -2.438   2.465
  187   3HD1  LEU  20          3HD1      LEU  20  10.497  -3.364   2.433
  188   1HD2  LEU  20          1HD2      LEU  20  10.199  -0.484   2.556
  189   2HD2  LEU  20          2HD2      LEU  20  11.045   0.167   1.152
  190   3HD2  LEU  20          3HD2      LEU  20  11.848  -1.002   2.202
  191    H    LYS  21           H        LYS  21  12.141  -2.583  -3.380
  192    HA   LYS  21           HA       LYS  21  15.086  -3.001  -3.155
  193   1HB   LYS  21          2HB       LYS  21  13.853  -5.142  -2.678
  194   2HB   LYS  21          1HB       LYS  21  13.162  -5.049  -4.296
  195   1HG   LYS  21          2HG       LYS  21  15.407  -5.118  -5.287
  196   2HG   LYS  21          1HG       LYS  21  16.133  -5.129  -3.680
  197   1HD   LYS  21          2HD       LYS  21  15.008  -7.271  -3.186
  198   2HD   LYS  21          1HD       LYS  21  14.294  -7.267  -4.798
  199   1HE   LYS  21          2HE       LYS  21  16.285  -8.677  -4.816
  200   2HE   LYS  21          1HE       LYS  21  16.596  -7.229  -5.771
  201   1HZ   LYS  21          1HZ       LYS  21  18.335  -7.971  -4.060
  202   2HZ   LYS  21          2HZ       LYS  21  17.278  -7.313  -2.904
  203   3HZ   LYS  21          3HZ       LYS  21  17.924  -6.327  -4.128
  204    H    ALA  22           H        ALA  22  14.715  -0.905  -4.492
  205    HA   ALA  22           HA       ALA  22  14.719  -1.693  -7.354
  206   1HB   ALA  22          1HB       ALA  22  12.474  -0.913  -7.095
  207   2HB   ALA  22          2HB       ALA  22  13.362   0.422  -7.832
  208   3HB   ALA  22          3HB       ALA  22  12.992   0.452  -6.108
  209    H    ARG  23           H        ARG  23  17.053  -1.256  -6.122
  210    HA   ARG  23           HA       ARG  23  17.890   1.489  -5.943
  211   1HB   ARG  23          2HB       ARG  23  19.436  -1.094  -6.319
  212   2HB   ARG  23          1HB       ARG  23  20.219   0.474  -6.132
  213   1HG   ARG  23          2HG       ARG  23  19.087   0.782  -3.950
  214   2HG   ARG  23          1HG       ARG  23  18.301  -0.785  -4.142
  215   1HD   ARG  23          2HD       ARG  23  20.518  -1.895  -4.180
  216   2HD   ARG  23          1HD       ARG  23  21.311  -0.329  -3.976
  217    HE   ARG  23           HE       ARG  23  20.167  -1.892  -1.853
  218   1HH1  ARG  23          1HH2      ARG  23  20.538   1.322  -3.046
  219   2HH1  ARG  23          2HH2      ARG  23  20.326   2.062  -1.495
  220   1HH2  ARG  23          1HH1      ARG  23  19.851  -0.924   0.186
  221   2HH2  ARG  23          2HH1      ARG  23  19.941   0.802   0.325
  222    H    TRP  24           H        TRP  24  17.982  -0.889  -8.587
  223    HA   TRP  24           HA       TRP  24  19.338   1.001 -10.381
  224   1HB   TRP  24          2HB       TRP  24  18.590  -1.845 -10.432
  225   2HB   TRP  24          1HB       TRP  24  18.393  -1.033 -11.982
  226    HD1  TRP  24           HD       TRP  24  20.572  -0.071 -13.170
  227    HE1  TRP  24           1HE      TRP  24  23.085  -0.536 -12.816
  228    HE3  TRP  24           3HE      TRP  24  20.402  -2.444  -8.654
  229    HZ2  TRP  24           2HZ      TRP  24  24.796  -1.754 -10.869
  230    HZ3  TRP  24           3HZ      TRP  24  22.481  -3.244  -7.572
  231    HH2  TRP  24           HH       TRP  24  24.677  -2.903  -8.671
  232    HA   PRO  25           HA       PRO  25  15.091   0.861 -12.667
  233   1HB   PRO  25          2HB       PRO  25  12.995  -0.344 -11.383
  234   2HB   PRO  25          1HB       PRO  25  14.097  -1.214 -12.470
  235   1HG   PRO  25          2HG       PRO  25  14.149  -1.036  -9.483
  236   2HG   PRO  25          1HG       PRO  25  14.303  -2.466 -10.522
  237   1HD   PRO  25          2HD       PRO  25  16.488  -1.324  -9.461
  238   2HD   PRO  25          1HD       PRO  25  16.518  -1.957 -11.121
  239    H    TRP  26           H        TRP  26  13.518   2.518 -12.562
  240    HA   TRP  26           HA       TRP  26  13.609   4.200 -10.175
  241   1HB   TRP  26          2HB       TRP  26  12.101   5.687 -11.488
  242   2HB   TRP  26          1HB       TRP  26  13.548   5.241 -12.392
  243    HD1  TRP  26           HD       TRP  26  13.272   3.725 -14.503
  244    HE1  TRP  26           1HE      TRP  26  11.220   2.915 -15.837
  245    HE3  TRP  26           3HE      TRP  26   9.555   4.951 -11.228
  246    HZ2  TRP  26           2HZ      TRP  26   8.373   2.803 -15.550
  247    HZ3  TRP  26           3HZ      TRP  26   7.185   4.485 -11.779
  248    HH2  TRP  26           HH       TRP  26   6.590   3.413 -13.935
  249    H    ALA  27           H        ALA  27  12.207   4.038  -8.487
  250    HA   ALA  27           HA       ALA  27   9.397   3.512  -8.825
  251   1HB   ALA  27          1HB       ALA  27  10.086   1.225  -9.233
  252   2HB   ALA  27          2HB       ALA  27   9.380   1.301  -7.619
  253   3HB   ALA  27          3HB       ALA  27  11.131   1.240  -7.813
  254    H    GLU  28           H        GLU  28  10.520   5.558  -7.521
  255    HA   GLU  28           HA       GLU  28  11.124   5.127  -4.744
  256   1HB   GLU  28          2HB       GLU  28  10.100   7.563  -6.230
  257   2HB   GLU  28          1HB       GLU  28  10.584   7.587  -4.535
  258   1HG   GLU  28          2HG       GLU  28  12.842   6.861  -5.133
  259   2HG   GLU  28          1HG       GLU  28  12.373   6.734  -6.829
  260    H    LYS  29           H        LYS  29   8.125   5.823  -6.502
  261    HA   LYS  29           HA       LYS  29   6.576   4.693  -4.277
  262   1HB   LYS  29          2HB       LYS  29   5.069   6.754  -4.227
  263   2HB   LYS  29          1HB       LYS  29   6.653   6.953  -3.480
  264   1HG   LYS  29          2HG       LYS  29   7.455   7.852  -5.733
  265   2HG   LYS  29          1HG       LYS  29   5.756   7.925  -6.199
  266   1HD   LYS  29          2HD       LYS  29   6.867   9.249  -3.711
  267   2HD   LYS  29          1HD       LYS  29   6.661  10.083  -5.251
  268   1HE   LYS  29          2HE       LYS  29   4.221   9.339  -5.177
  269   2HE   LYS  29          1HE       LYS  29   4.511   8.869  -3.503
  270   1HZ   LYS  29          1HZ       LYS  29   5.213  11.132  -3.031
  271   2HZ   LYS  29          2HZ       LYS  29   3.629  11.108  -3.645
  272   3HZ   LYS  29          3HZ       LYS  29   4.924  11.580  -4.640
  273    H    LEU  30           H        LEU  30   5.244   3.318  -5.353
  274    HA   LEU  30           HA       LEU  30   4.396   4.023  -8.108
  275   1HB   LEU  30          2HB       LEU  30   3.962   1.423  -6.604
  276   2HB   LEU  30          1HB       LEU  30   3.730   1.695  -8.330
  277    HG   LEU  30           HG       LEU  30   6.382   1.945  -6.873
  278   1HD1  LEU  30          1HD1      LEU  30   5.195  -0.222  -8.624
  279   2HD1  LEU  30          2HD1      LEU  30   5.787  -0.383  -6.970
  280   3HD1  LEU  30          3HD1      LEU  30   6.922  -0.097  -8.290
  281   1HD2  LEU  30          1HD2      LEU  30   7.136   1.841  -9.377
  282   2HD2  LEU  30          2HD2      LEU  30   6.523   3.370  -8.746
  283   3HD2  LEU  30          3HD2      LEU  30   5.479   2.338  -9.723
  284    H    ILE  31           H        ILE  31   2.887   5.693  -7.373
  285    HA   ILE  31           HA       ILE  31   0.722   5.154  -5.570
  286    HB   ILE  31           HB       ILE  31   0.954   7.148  -7.848
  287   1HG1  ILE  31          2HG1      ILE  31   1.162   7.558  -4.850
  288   2HG1  ILE  31          1HG1      ILE  31   2.562   7.320  -5.896
  289   1HG2  ILE  31          1HG2      ILE  31  -1.140   6.760  -5.701
  290   2HG2  ILE  31          2HG2      ILE  31  -1.380   6.889  -7.443
  291   3HG2  ILE  31          3HG2      ILE  31  -0.904   8.308  -6.511
  292   1HD1  ILE  31          1HD1      ILE  31   2.142   9.330  -7.096
  293   2HD1  ILE  31          2HD1      ILE  31   1.915   9.754  -5.399
  294   3HD1  ILE  31          3HD1      ILE  31   0.513   9.476  -6.434
  295    H    ALA  32           H        ALA  32   0.994   4.911  -9.114
  296    HA   ALA  32           HA       ALA  32  -1.629   4.372  -9.844
  297   1HB   ALA  32          1HB       ALA  32  -0.638   2.838 -11.598
  298   2HB   ALA  32          2HB       ALA  32   0.922   3.050 -10.803
  299   3HB   ALA  32          3HB       ALA  32   0.103   4.437 -11.522
  300    H    GLU  33           H        GLU  33   0.598   1.610  -9.446
  301    HA   GLU  33           HA       GLU  33  -1.311  -0.381  -9.154
  302   1HB   GLU  33          2HB       GLU  33   1.380  -0.100  -7.787
  303   2HB   GLU  33          1HB       GLU  33   0.418  -1.576  -7.719
  304   1HG   GLU  33          2HG       GLU  33   1.841  -1.964  -9.545
  305   2HG   GLU  33          1HG       GLU  33   0.366  -1.383 -10.318
  306    H    ARG  34           H        ARG  34   0.199   1.395  -6.421
  307    HA   ARG  34           HA       ARG  34  -1.416   0.275  -4.378
  308   1HB   ARG  34          2HB       ARG  34   0.185   2.782  -4.690
  309   2HB   ARG  34          1HB       ARG  34  -0.978   2.737  -3.372
  310   1HG   ARG  34          2HG       ARG  34   0.748   0.329  -3.652
  311   2HG   ARG  34          1HG       ARG  34   1.548   1.812  -3.129
  312   1HD   ARG  34          2HD       ARG  34   0.556   0.323  -1.319
  313   2HD   ARG  34          1HD       ARG  34   0.203   2.023  -1.232
  314    HE   ARG  34           HE       ARG  34  -1.961   0.837  -2.659
  315   1HH1  ARG  34          1HH2      ARG  34  -0.286   0.502   0.318
  316   2HH1  ARG  34          2HH2      ARG  34  -1.684  -0.005   1.203
  317   1HH2  ARG  34          1HH1      ARG  34  -3.827   0.167  -1.525
  318   2HH2  ARG  34          2HH1      ARG  34  -3.677  -0.186   0.170
  319    H    ASN  35           H        ASN  35  -1.915   3.258  -6.278
  320    HA   ASN  35           HA       ASN  35  -4.429   3.902  -5.064
  321   1HB   ASN  35          2HB       ASN  35  -3.149   5.577  -6.348
  322   2HB   ASN  35          1HB       ASN  35  -3.353   4.611  -7.816
  323   1HD2  ASN  35          1HD2      ASN  35  -4.486   7.366  -6.642
  324   2HD2  ASN  35          2HD2      ASN  35  -6.123   7.291  -7.108
  325    H    SER  36           H        SER  36  -3.563   2.023  -7.964
  326    HA   SER  36           HA       SER  36  -6.031   1.585  -9.151
  327   1HB   SER  36          2HB       SER  36  -3.868   0.566  -9.890
  328   2HB   SER  36          1HB       SER  36  -3.989  -0.585  -8.562
  329    HG   SER  36           HG       SER  36  -4.996  -1.657 -10.115
  330    H    LEU  37           H        LEU  37  -4.826  -1.030  -7.074
  331    HA   LEU  37           HA       LEU  37  -7.222  -2.222  -6.409
  332   1HB   LEU  37          2HB       LEU  37  -4.833  -1.731  -4.616
  333   2HB   LEU  37          1HB       LEU  37  -6.179  -2.763  -4.151
  334    HG   LEU  37           HG       LEU  37  -4.385  -4.132  -5.051
  335   1HD1  LEU  37          1HD1      LEU  37  -6.952  -4.369  -5.778
  336   2HD1  LEU  37          2HD1      LEU  37  -5.706  -5.469  -6.367
  337   3HD1  LEU  37          3HD1      LEU  37  -6.245  -4.126  -7.375
  338   1HD2  LEU  37          1HD2      LEU  37  -3.367  -3.789  -7.153
  339   2HD2  LEU  37          2HD2      LEU  37  -3.502  -2.165  -6.476
  340   3HD2  LEU  37          3HD2      LEU  37  -4.654  -2.712  -7.693
  341    H    ALA  38           H        ALA  38  -5.776   0.596  -4.775
  342    HA   ALA  38           HA       ALA  38  -7.428   0.996  -2.617
  343   1HB   ALA  38          1HB       ALA  38  -6.933   3.330  -4.439
  344   2HB   ALA  38          2HB       ALA  38  -5.575   2.524  -3.651
  345   3HB   ALA  38          3HB       ALA  38  -6.851   3.255  -2.680
  346    H    LYS  39           H        LYS  39  -8.237   2.024  -5.946
  347    HA   LYS  39           HA       LYS  39 -10.861   2.982  -5.310
  348   1HB   LYS  39          2HB       LYS  39  -9.793   3.589  -7.407
  349   2HB   LYS  39          1HB       LYS  39  -9.711   1.896  -7.893
  350   1HG   LYS  39          2HG       LYS  39 -12.371   3.107  -7.205
  351   2HG   LYS  39          1HG       LYS  39 -11.669   3.397  -8.796
  352   1HD   LYS  39          2HD       LYS  39 -11.310   0.664  -8.402
  353   2HD   LYS  39          1HD       LYS  39 -12.915   0.979  -7.741
  354   1HE   LYS  39          2HE       LYS  39 -13.544   2.132  -9.841
  355   2HE   LYS  39          1HE       LYS  39 -11.952   1.770 -10.508
  356   1HZ   LYS  39          1HZ       LYS  39 -12.455  -0.403 -10.779
  357   2HZ   LYS  39          2HZ       LYS  39 -14.039   0.204 -10.877
  358   3HZ   LYS  39          3HZ       LYS  39 -13.472  -0.469  -9.424
  359    H    ASP  40           H        ASP  40  -9.812  -0.167  -6.659
  360    HA   ASP  40           HA       ASP  40 -12.413  -1.345  -6.680
  361   1HB   ASP  40          2HB       ASP  40  -9.608  -2.459  -6.600
  362   2HB   ASP  40          1HB       ASP  40 -11.009  -3.530  -6.541
  363    H    VAL  41           H        VAL  41  -9.892  -1.207  -4.182
  364    HA   VAL  41           HA       VAL  41 -11.109  -2.988  -2.320
  365    HB   VAL  41           HB       VAL  41  -9.379  -0.544  -1.829
  366   1HG1  VAL  41          1HG1      VAL  41 -10.515  -2.649  -0.035
  367   2HG1  VAL  41          2HG1      VAL  41 -10.214  -0.942   0.290
  368   3HG1  VAL  41          3HG1      VAL  41  -8.873  -2.088   0.281
  369   1HG2  VAL  41          1HG2      VAL  41  -7.524  -2.019  -1.880
  370   2HG2  VAL  41          2HG2      VAL  41  -8.508  -2.517  -3.255
  371   3HG2  VAL  41          3HG2      VAL  41  -8.551  -3.450  -1.759
  372    H    ALA  42           H        ALA  42 -11.420   0.530  -2.752
  373    HA   ALA  42           HA       ALA  42 -13.101   1.138  -0.597
  374   1HB   ALA  42          1HB       ALA  42 -13.340   3.145  -1.642
  375   2HB   ALA  42          2HB       ALA  42 -13.936   2.399  -3.124
  376   3HB   ALA  42          3HB       ALA  42 -12.200   2.496  -2.823
  377    H    GLU  43           H        GLU  43 -13.995  -0.137  -3.798
  378    HA   GLU  43           HA       GLU  43 -16.800  -0.203  -3.492
  379   1HB   GLU  43          2HB       GLU  43 -15.524  -0.793  -5.582
  380   2HB   GLU  43          1HB       GLU  43 -15.099  -2.332  -4.832
  381   1HG   GLU  43          2HG       GLU  43 -17.036  -2.726  -6.210
  382   2HG   GLU  43          1HG       GLU  43 -17.572  -2.761  -4.532
  383    H    ILE  44           H        ILE  44 -14.583  -2.966  -2.941
  384    HA   ILE  44           HA       ILE  44 -16.363  -4.714  -1.701
  385    HB   ILE  44           HB       ILE  44 -13.528  -4.268  -0.749
  386   1HG1  ILE  44          2HG1      ILE  44 -13.407  -4.416  -3.154
  387   2HG1  ILE  44          1HG1      ILE  44 -12.936  -5.986  -2.506
  388   1HG2  ILE  44          1HG2      ILE  44 -15.158  -6.809  -0.952
  389   2HG2  ILE  44          2HG2      ILE  44 -15.026  -5.848   0.522
  390   3HG2  ILE  44          3HG2      ILE  44 -13.591  -6.607  -0.170
  391   1HD1  ILE  44          1HD1      ILE  44 -15.428  -6.623  -2.785
  392   2HD1  ILE  44          2HD1      ILE  44 -14.438  -6.528  -4.241
  393   3HD1  ILE  44          3HD1      ILE  44 -15.533  -5.206  -3.830
  394    H    LYS  45           H        LYS  45 -14.685  -1.933  -0.281
  395    HA   LYS  45           HA       LYS  45 -15.311  -2.447   2.456
  396   1HB   LYS  45          2HB       LYS  45 -14.937   0.194   0.997
  397   2HB   LYS  45          1HB       LYS  45 -15.014   0.028   2.752
  398   1HG   LYS  45          2HG       LYS  45 -13.050  -1.617   1.170
  399   2HG   LYS  45          1HG       LYS  45 -12.668   0.053   1.591
  400   1HD   LYS  45          2HD       LYS  45 -13.327  -0.606   4.006
  401   2HD   LYS  45          1HD       LYS  45 -13.187  -2.272   3.447
  402   1HE   LYS  45          2HE       LYS  45 -11.057  -1.604   4.407
  403   2HE   LYS  45          1HE       LYS  45 -10.860  -1.750   2.661
  404   1HZ   LYS  45          1HZ       LYS  45  -9.983   0.292   2.872
  405   2HZ   LYS  45          2HZ       LYS  45 -10.765   0.606   4.347
  406   3HZ   LYS  45          3HZ       LYS  45 -11.602   0.800   2.881
  407    H    ASN  46           H        ASN  46 -17.080  -0.637  -0.045
  408    HA   ASN  46           HA       ASN  46 -19.255   0.204   1.602
  409   1HB   ASN  46          2HB       ASN  46 -18.805   1.125  -0.650
  410   2HB   ASN  46          1HB       ASN  46 -19.215  -0.434  -1.365
  411   1HD2  ASN  46          1HD2      ASN  46 -21.207  -0.085  -2.378
  412   2HD2  ASN  46          2HD2      ASN  46 -22.563   0.604  -1.623
  413    H    GLN  47           H        GLN  47 -18.669  -2.748  -0.267
  414    HA   GLN  47           HA       GLN  47 -21.303  -3.856   0.312
  415   1HB   GLN  47          2HB       GLN  47 -20.723  -5.424  -1.217
  416   2HB   GLN  47          1HB       GLN  47 -19.299  -4.432  -1.518
  417   1HG   GLN  47          2HG       GLN  47 -18.133  -5.690   0.330
  418   2HG   GLN  47          1HG       GLN  47 -19.520  -6.775   0.384
  419   1HE2  GLN  47          1HE2      GLN  47 -18.183  -5.324  -2.593
  420   2HE2  GLN  47          2HE2      GLN  47 -17.696  -6.794  -3.286
  421    H    LEU  48           H        LEU  48 -18.432  -3.484   2.078
  422    HA   LEU  48           HA       LEU  48 -18.944  -5.839   3.813
  423   1HB   LEU  48          2HB       LEU  48 -16.743  -3.754   3.738
  424   2HB   LEU  48          1HB       LEU  48 -16.912  -4.894   5.072
  425    HG   LEU  48           HG       LEU  48 -16.762  -5.815   2.196
  426   1HD1  LEU  48          1HD1      LEU  48 -14.555  -5.180   4.161
  427   2HD1  LEU  48          2HD1      LEU  48 -14.705  -4.656   2.484
  428   3HD1  LEU  48          3HD1      LEU  48 -14.323  -6.339   2.851
  429   1HD2  LEU  48          1HD2      LEU  48 -15.792  -7.849   3.511
  430   2HD2  LEU  48          2HD2      LEU  48 -17.532  -7.571   3.575
  431   3HD2  LEU  48          3HD2      LEU  48 -16.511  -7.081   4.927
  432    H    GLY  49           H        GLY  49 -20.014  -2.702   3.498
  433   1HA   GLY  49          2HA       GLY  49 -21.166  -1.241   4.919
  434   2HA   GLY  49          1HA       GLY  49 -21.563  -2.680   5.852
  435    H    ILE  50           H        ILE  50 -18.534  -0.805   5.289
  436    HA   ILE  50           HA       ILE  50 -18.407  -0.265   8.193
  437    HB   ILE  50           HB       ILE  50 -15.888  -1.044   8.026
  438   1HG1  ILE  50          2HG1      ILE  50 -15.691  -3.106   6.650
  439   2HG1  ILE  50          1HG1      ILE  50 -17.289  -2.790   5.974
  440   1HG2  ILE  50          1HG2      ILE  50 -17.607  -1.920   9.577
  441   2HG2  ILE  50          2HG2      ILE  50 -16.563  -3.205   8.969
  442   3HG2  ILE  50          3HG2      ILE  50 -18.187  -3.000   8.309
  443   1HD1  ILE  50          1HD1      ILE  50 -16.555  -0.969   4.734
  444   2HD1  ILE  50          2HD1      ILE  50 -15.102  -1.969   4.711
  445   3HD1  ILE  50          3HD1      ILE  50 -15.227  -0.621   5.840
  446    HA   PRO  51           HA       PRO  51 -16.607   3.561   7.077
  447   1HB   PRO  51          2HB       PRO  51 -14.422   2.957   9.036
  448   2HB   PRO  51          1HB       PRO  51 -15.468   4.388   8.919
  449   1HG   PRO  51          2HG       PRO  51 -15.936   2.619  10.790
  450   2HG   PRO  51          1HG       PRO  51 -17.294   3.274   9.852
  451   1HD   PRO  51          2HD       PRO  51 -15.923   0.606   9.548
  452   2HD   PRO  51          1HD       PRO  51 -17.661   0.974   9.537
  453    H    ILE  52           H        ILE  52 -15.172   4.358   5.575
  454    HA   ILE  52           HA       ILE  52 -13.449   2.562   4.139
  455    HB   ILE  52           HB       ILE  52 -13.437   5.599   4.127
  456   1HG1  ILE  52          2HG1      ILE  52 -15.009   3.672   2.390
  457   2HG1  ILE  52          1HG1      ILE  52 -15.694   4.588   3.731
  458   1HG2  ILE  52          1HG2      ILE  52 -12.590   3.566   2.039
  459   2HG2  ILE  52          2HG2      ILE  52 -11.491   4.530   3.024
  460   3HG2  ILE  52          3HG2      ILE  52 -12.544   5.319   1.850
  461   1HD1  ILE  52          1HD1      ILE  52 -16.017   5.650   1.454
  462   2HD1  ILE  52          2HD1      ILE  52 -14.270   5.884   1.393
  463   3HD1  ILE  52          3HD1      ILE  52 -15.223   6.682   2.643
  464    H    ASN  53           H        ASN  53 -12.813   5.143   6.512
  465    HA   ASN  53           HA       ASN  53  -9.962   4.904   6.400
  466   1HB   ASN  53          2HB       ASN  53 -11.516   6.737   7.534
  467   2HB   ASN  53          1HB       ASN  53 -11.332   5.693   8.947
  468   1HD2  ASN  53          1HD2      ASN  53  -8.823   4.864   9.084
  469   2HD2  ASN  53          2HD2      ASN  53  -7.681   6.122   8.972
  470    H    ASP  54           H        ASP  54  -8.539   3.792   7.825
  471    HA   ASP  54           HA       ASP  54  -9.494   2.036   9.901
  472   1HB   ASP  54          2HB       ASP  54 -10.250   0.894   7.746
  473   2HB   ASP  54          1HB       ASP  54  -8.540   0.635   7.408
  474    HA   PRO  55           HA       PRO  55  -5.007   3.297   9.976
  475   1HB   PRO  55          2HB       PRO  55  -5.003   3.499  12.733
  476   2HB   PRO  55          1HB       PRO  55  -5.425   4.841  11.651
  477   1HG   PRO  55          2HG       PRO  55  -7.225   2.956  13.115
  478   2HG   PRO  55          1HG       PRO  55  -7.356   4.712  12.914
  479   1HD   PRO  55          2HD       PRO  55  -8.867   3.077  11.434
  480   2HD   PRO  55          1HD       PRO  55  -8.155   4.541  10.715
  481    H    GLU  56           H        GLU  56  -6.546   1.283  12.504
  482    HA   GLU  56           HA       GLU  56  -4.619  -0.395  13.361
  483   1HB   GLU  56          2HB       GLU  56  -7.263  -1.299  12.177
  484   2HB   GLU  56          1HB       GLU  56  -6.239  -2.298  13.210
  485   1HG   GLU  56          2HG       GLU  56  -7.372   0.400  14.019
  486   2HG   GLU  56          1HG       GLU  56  -8.071  -1.153  14.478
  487    H    ARG  57           H        ARG  57  -6.333  -1.198  10.328
  488    HA   ARG  57           HA       ARG  57  -4.536  -3.131   9.362
  489   1HB   ARG  57          2HB       ARG  57  -6.795  -1.820   8.387
  490   2HB   ARG  57          1HB       ARG  57  -5.530  -1.363   7.249
  491   1HG   ARG  57          2HG       ARG  57  -6.008  -4.229   8.071
  492   2HG   ARG  57          1HG       ARG  57  -6.789  -3.499   6.672
  493   1HD   ARG  57          2HD       ARG  57  -3.808  -3.354   7.005
  494   2HD   ARG  57          1HD       ARG  57  -4.575  -4.791   6.327
  495    HE   ARG  57           HE       ARG  57  -5.691  -2.783   4.823
  496   1HH1  ARG  57          1HH2      ARG  57  -2.474  -3.662   5.732
  497   2HH1  ARG  57          2HH2      ARG  57  -1.778  -3.225   4.195
  498   1HH2  ARG  57          1HH1      ARG  57  -4.786  -2.202   2.821
  499   2HH2  ARG  57          2HH1      ARG  57  -3.089  -2.427   2.553
  500    H    GLU  58           H        GLU  58  -4.477   0.400   8.843
  501    HA   GLU  58           HA       GLU  58  -2.086   0.434   7.264
  502   1HB   GLU  58          2HB       GLU  58  -3.197   2.578   9.112
  503   2HB   GLU  58          1HB       GLU  58  -1.994   2.834   7.846
  504   1HG   GLU  58          2HG       GLU  58  -3.591   2.171   6.128
  505   2HG   GLU  58          1HG       GLU  58  -4.787   1.754   7.356
  506    H    LYS  59           H        LYS  59  -2.665   0.563  10.768
  507    HA   LYS  59           HA       LYS  59   0.032   1.121  11.561
  508   1HB   LYS  59          2HB       LYS  59  -2.122  -0.466  13.009
  509   2HB   LYS  59          1HB       LYS  59  -0.649   0.152  13.753
  510   1HG   LYS  59          2HG       LYS  59  -2.781   1.864  12.430
  511   2HG   LYS  59          1HG       LYS  59  -2.592   1.646  14.169
  512   1HD   LYS  59          2HD       LYS  59  -0.156   2.452  13.795
  513   2HD   LYS  59          1HD       LYS  59  -0.744   3.046  12.243
  514   1HE   LYS  59          2HE       LYS  59  -2.459   4.385  13.376
  515   2HE   LYS  59          1HE       LYS  59  -1.931   3.765  14.940
  516   1HZ   LYS  59          1HZ       LYS  59  -1.040   6.028  13.998
  517   2HZ   LYS  59          2HZ       LYS  59   0.067   5.012  13.204
  518   3HZ   LYS  59          3HZ       LYS  59  -0.036   4.997  14.899
  519    H    TYR  60           H        TYR  60  -1.718  -1.899  10.927
  520    HA   TYR  60           HA       TYR  60   0.296  -3.749  11.682
  521   1HB   TYR  60          2HB       TYR  60  -1.922  -4.547  11.180
  522   2HB   TYR  60          1HB       TYR  60  -1.857  -3.874   9.553
  523    HD1  TYR  60           1HD      TYR  60  -0.655  -6.571  11.766
  524    HD2  TYR  60           2HD      TYR  60  -0.595  -4.973   7.777
  525    HE1  TYR  60           1HE      TYR  60   0.280  -8.708  10.924
  526    HE2  TYR  60           2HE      TYR  60   0.347  -7.109   6.938
  527    HH   TYR  60           HH       TYR  60   0.665  -9.928   9.028
  528    H    ILE  61           H        ILE  61  -0.223  -1.987   8.646
  529    HA   ILE  61           HA       ILE  61   1.827  -3.267   7.112
  530    HB   ILE  61           HB       ILE  61   0.511  -0.556   6.988
  531   1HG1  ILE  61          2HG1      ILE  61  -0.529  -2.829   6.209
  532   2HG1  ILE  61          1HG1      ILE  61  -0.644  -1.429   5.144
  533   1HG2  ILE  61          1HG2      ILE  61   2.677  -0.032   6.193
  534   2HG2  ILE  61          2HG2      ILE  61   1.749  -0.380   4.733
  535   3HG2  ILE  61          3HG2      ILE  61   2.848  -1.592   5.390
  536   1HD1  ILE  61          1HD1      ILE  61   1.735  -3.235   4.902
  537   2HD1  ILE  61          2HD1      ILE  61   0.958  -2.248   3.666
  538   3HD1  ILE  61          3HD1      ILE  61   0.202  -3.749   4.201
  539    H    TYR  62           H        TYR  62   1.883  -0.472   9.312
  540    HA   TYR  62           HA       TYR  62   4.497   0.466   8.809
  541   1HB   TYR  62          2HB       TYR  62   2.714   0.459  11.240
  542   2HB   TYR  62          1HB       TYR  62   4.382   1.009  11.398
  543    HD1  TYR  62           1HD      TYR  62   1.937   1.371   8.567
  544    HD2  TYR  62           2HD      TYR  62   4.331   3.349  11.539
  545    HE1  TYR  62           1HE      TYR  62   1.293   3.576   7.625
  546    HE2  TYR  62           2HE      TYR  62   3.689   5.550  10.592
  547    HH   TYR  62           HH       TYR  62   1.140   5.927   8.386
  548    H    ASP  63           H        ASP  63   3.407  -2.105  11.017
  549    HA   ASP  63           HA       ASP  63   6.044  -2.756  11.980
  550   1HB   ASP  63          2HB       ASP  63   3.786  -3.348  13.053
  551   2HB   ASP  63          1HB       ASP  63   3.678  -4.639  11.858
  552    H    ARG  64           H        ARG  64   4.095  -3.795   9.237
  553    HA   ARG  64           HA       ARG  64   5.656  -6.106   8.519
  554   1HB   ARG  64          2HB       ARG  64   3.413  -5.832   7.603
  555   2HB   ARG  64          1HB       ARG  64   3.862  -4.303   6.850
  556   1HG   ARG  64          2HG       ARG  64   5.509  -5.495   5.428
  557   2HG   ARG  64          1HG       ARG  64   5.032  -7.017   6.171
  558   1HD   ARG  64          2HD       ARG  64   3.098  -5.220   4.700
  559   2HD   ARG  64          1HD       ARG  64   3.922  -6.582   3.944
  560    HE   ARG  64           HE       ARG  64   1.617  -6.677   5.731
  561   1HH1  ARG  64          1HH2      ARG  64   4.495  -8.211   4.954
  562   2HH1  ARG  64          2HH2      ARG  64   3.960  -9.791   5.394
  563   1HH2  ARG  64          1HH1      ARG  64   0.809  -8.702   6.364
  564   2HH2  ARG  64          2HH1      ARG  64   1.846 -10.088   6.203
  565    H    ILE  65           H        ILE  65   5.648  -2.772   7.216
  566    HA   ILE  65           HA       ILE  65   7.850  -3.154   5.440
  567    HB   ILE  65           HB       ILE  65   7.051  -0.584   6.838
  568   1HG1  ILE  65          2HG1      ILE  65   5.074  -1.483   5.777
  569   2HG1  ILE  65          1HG1      ILE  65   5.698  -0.204   4.738
  570   1HG2  ILE  65          1HG2      ILE  65   7.889   0.277   4.518
  571   2HG2  ILE  65          2HG2      ILE  65   8.725  -1.272   4.439
  572   3HG2  ILE  65          3HG2      ILE  65   9.075  -0.148   5.752
  573   1HD1  ILE  65          1HD1      ILE  65   5.845  -3.186   4.341
  574   2HD1  ILE  65          2HD1      ILE  65   6.977  -2.110   3.520
  575   3HD1  ILE  65          3HD1      ILE  65   5.244  -1.954   3.233
  576    H    ARG  66           H        ARG  66   7.742  -2.005   8.824
  577    HA   ARG  66           HA       ARG  66  10.447  -1.285   9.138
  578   1HB   ARG  66          2HB       ARG  66   8.699  -0.973  10.902
  579   2HB   ARG  66          1HB       ARG  66   8.721  -2.706  11.198
  580   1HG   ARG  66          2HG       ARG  66  11.071  -2.597  11.857
  581   2HG   ARG  66          1HG       ARG  66  11.114  -0.872  11.498
  582   1HD   ARG  66          2HD       ARG  66   9.349  -0.509  13.210
  583   2HD   ARG  66          1HD       ARG  66   9.372  -2.222  13.586
  584    HE   ARG  66           HE       ARG  66  12.024  -1.117  13.833
  585   1HH1  ARG  66          1HH2      ARG  66   8.972  -0.917  15.262
  586   2HH1  ARG  66          2HH2      ARG  66   9.573  -0.328  16.792
  587   1HH2  ARG  66          1HH1      ARG  66  12.882  -0.377  15.776
  588   2HH2  ARG  66          2HH1      ARG  66  11.794  -0.004  17.075
  589    H    LYS  67           H        LYS  67   8.954  -4.510   9.299
  590    HA   LYS  67           HA       LYS  67  11.302  -5.915  10.168
  591   1HB   LYS  67          2HB       LYS  67   8.984  -6.846  10.242
  592   2HB   LYS  67          1HB       LYS  67   9.004  -6.965   8.484
  593   1HG   LYS  67          2HG       LYS  67  10.911  -8.509   8.585
  594   2HG   LYS  67          1HG       LYS  67  10.962  -8.355  10.342
  595   1HD   LYS  67          2HD       LYS  67   8.666  -9.280  10.484
  596   2HD   LYS  67          1HD       LYS  67   8.638  -9.459   8.730
  597   1HE   LYS  67          2HE       LYS  67  10.722 -10.766  10.500
  598   2HE   LYS  67          1HE       LYS  67   9.237 -11.571   9.993
  599   1HZ   LYS  67          1HZ       LYS  67  11.637 -11.222   8.551
  600   2HZ   LYS  67          2HZ       LYS  67  10.369 -10.457   7.718
  601   3HZ   LYS  67          3HZ       LYS  67  10.255 -12.105   8.115
  602    H    LEU  68           H        LEU  68   9.863  -5.834   6.872
  603    HA   LEU  68           HA       LEU  68  12.182  -6.957   5.605
  604   1HB   LEU  68          2HB       LEU  68   9.962  -5.208   4.499
  605   2HB   LEU  68          1HB       LEU  68  11.184  -5.990   3.500
  606    HG   LEU  68           HG       LEU  68   9.330  -7.484   5.379
  607   1HD1  LEU  68          1HD1      LEU  68   8.285  -8.198   3.139
  608   2HD1  LEU  68          2HD1      LEU  68   9.141  -6.827   2.434
  609   3HD1  LEU  68          3HD1      LEU  68   7.930  -6.559   3.687
  610   1HD2  LEU  68          1HD2      LEU  68  10.085  -9.339   3.666
  611   2HD2  LEU  68          2HD2      LEU  68  11.160  -8.896   4.992
  612   3HD2  LEU  68          3HD2      LEU  68  11.442  -8.250   3.376
  613    H    CYS  69           H        CYS  69  11.113  -3.598   6.114
  614    HA   CYS  69           HA       CYS  69  13.232  -2.349   4.657
  615   1HB   CYS  69          2HB       CYS  69  11.082  -1.270   5.521
  616   2HB   CYS  69          1HB       CYS  69  11.873  -1.182   7.095
  617    HG   CYS  69           HG       CYS  69  13.661   0.409   6.083
  618    H    LYS  70           H        LYS  70  13.159  -3.895   7.742
  619    HA   LYS  70           HA       LYS  70  15.658  -2.583   8.633
  620   1HB   LYS  70          2HB       LYS  70  14.128  -2.938  10.419
  621   2HB   LYS  70          1HB       LYS  70  13.776  -4.582   9.892
  622   1HG   LYS  70          2HG       LYS  70  16.619  -3.990  10.539
  623   2HG   LYS  70          1HG       LYS  70  15.498  -4.022  11.899
  624   1HD   LYS  70          2HD       LYS  70  14.672  -6.261  11.007
  625   2HD   LYS  70          1HD       LYS  70  16.056  -6.236   9.914
  626   1HE   LYS  70          2HE       LYS  70  17.600  -6.119  11.800
  627   2HE   LYS  70          1HE       LYS  70  16.253  -6.001  12.932
  628   1HZ   LYS  70          1HZ       LYS  70  17.445  -8.307  11.930
  629   2HZ   LYS  70          2HZ       LYS  70  15.879  -8.243  11.278
  630   3HZ   LYS  70          3HZ       LYS  70  16.104  -8.194  12.961
  631    H    GLU  71           H        GLU  71  14.500  -5.630   7.324
  632    HA   GLU  71           HA       GLU  71  16.835  -7.201   7.894
  633   1HB   GLU  71          2HB       GLU  71  14.676  -7.445   5.793
  634   2HB   GLU  71          1HB       GLU  71  15.977  -8.622   5.962
  635   1HG   GLU  71          2HG       GLU  71  14.128  -7.831   8.225
  636   2HG   GLU  71          1HG       GLU  71  13.870  -9.236   7.193
  637    H    HIS  72           H        HIS  72  15.898  -5.299   5.017
  638    HA   HIS  72           HA       HIS  72  18.426  -5.972   3.681
  639   1HB   HIS  72          2HB       HIS  72  16.282  -3.992   2.869
  640   2HB   HIS  72          1HB       HIS  72  17.577  -4.611   1.846
  641    HD1  HIS  72           1HD      HIS  72  17.543  -7.351   1.558
  642    HD2  HIS  72           2HD      HIS  72  13.988  -5.550   2.788
  643    HE1  HIS  72           1HE      HIS  72  15.698  -9.034   1.121
  644    HE2  HIS  72           2HE      HIS  72  13.531  -7.947   1.866
  645    H    ASN  73           H        ASN  73  17.934  -4.109   6.223
  646    HA   ASN  73           HA       ASN  73  18.782  -2.035   7.003
  647   1HB   ASN  73          2HB       ASN  73  21.071  -3.329   5.504
  648   2HB   ASN  73          1HB       ASN  73  21.275  -1.891   6.513
  649   1HD2  ASN  73          1HD2      ASN  73  22.082  -4.915   6.832
  650   2HD2  ASN  73          2HD2      ASN  73  21.579  -5.282   8.418
  651    H    VAL  74           H        VAL  74  17.391  -1.825   4.397
  652    HA   VAL  74           HA       VAL  74  18.990  -0.100   2.694
  653    HB   VAL  74           HB       VAL  74  16.670   0.435   1.707
  654   1HG1  VAL  74          1HG1      VAL  74  17.875  -2.327   1.861
  655   2HG1  VAL  74          2HG1      VAL  74  17.990  -1.151   0.552
  656   3HG1  VAL  74          3HG1      VAL  74  16.469  -1.995   0.848
  657   1HG2  VAL  74          1HG2      VAL  74  15.424  -0.144   3.783
  658   2HG2  VAL  74          2HG2      VAL  74  15.917  -1.826   3.586
  659   3HG2  VAL  74          3HG2      VAL  74  14.862  -1.070   2.391
  660    H    ASP  75           H        ASP  75  16.414   0.455   5.102
  661    HA   ASP  75           HA       ASP  75  17.398   2.788   6.224
  662   1HB   ASP  75          2HB       ASP  75  15.905   4.490   4.907
  663   2HB   ASP  75          1HB       ASP  75  17.482   4.041   4.257
  664    H    GLU  76           H        GLU  76  16.234   2.008   7.998
  665    HA   GLU  76           HA       GLU  76  13.490   1.223   7.946
  666   1HB   GLU  76          2HB       GLU  76  15.080   0.672   9.789
  667   2HB   GLU  76          1HB       GLU  76  15.048   2.364  10.286
  668   1HG   GLU  76          2HG       GLU  76  12.634   2.228  10.693
  669   2HG   GLU  76          1HG       GLU  76  12.617   0.556  10.129
  670    H    ASN  77           H        ASN  77  14.683   4.121   9.654
  671    HA   ASN  77           HA       ASN  77  12.305   5.461   9.986
  672   1HB   ASN  77          2HB       ASN  77  13.809   7.603   9.482
  673   2HB   ASN  77          1HB       ASN  77  14.051   6.626  10.930
  674   1HD2  ASN  77          1HD2      ASN  77  14.953   5.454   7.706
  675   2HD2  ASN  77          2HD2      ASN  77  16.631   5.503   7.966
  676    H    ILE  78           H        ILE  78  14.415   6.444   7.251
  677    HA   ILE  78           HA       ILE  78  12.498   7.925   5.872
  678    HB   ILE  78           HB       ILE  78  14.528   6.130   4.517
  679   1HG1  ILE  78          2HG1      ILE  78  15.097   8.979   5.237
  680   2HG1  ILE  78          1HG1      ILE  78  15.229   7.765   6.510
  681   1HG2  ILE  78          1HG2      ILE  78  13.180   8.742   3.771
  682   2HG2  ILE  78          2HG2      ILE  78  13.002   7.186   2.961
  683   3HG2  ILE  78          3HG2      ILE  78  14.538   8.048   2.884
  684   1HD1  ILE  78          1HD1      ILE  78  16.897   6.552   5.337
  685   2HD1  ILE  78          2HD1      ILE  78  17.357   8.244   5.144
  686   3HD1  ILE  78          3HD1      ILE  78  16.557   7.393   3.824
  687    H    GLY  79           H        GLY  79  13.032   4.413   5.690
  688   1HA   GLY  79          2HA       GLY  79  11.326   3.742   3.587
  689   2HA   GLY  79          1HA       GLY  79  11.556   2.717   5.003
  690    H    ILE  80           H        ILE  80  10.307   3.773   7.030
  691    HA   ILE  80           HA       ILE  80   7.516   3.544   6.409
  692    HB   ILE  80           HB       ILE  80   8.926   4.589   8.876
  693   1HG1  ILE  80          2HG1      ILE  80   7.498   1.958   8.405
  694   2HG1  ILE  80          1HG1      ILE  80   9.236   2.163   8.179
  695   1HG2  ILE  80          1HG2      ILE  80   6.641   4.039   9.927
  696   2HG2  ILE  80          2HG2      ILE  80   6.009   4.072   8.281
  697   3HG2  ILE  80          3HG2      ILE  80   6.743   5.520   8.975
  698   1HD1  ILE  80          1HD1      ILE  80   7.853   2.914  10.762
  699   2HD1  ILE  80          2HD1      ILE  80   9.579   2.677  10.482
  700   3HD1  ILE  80          3HD1      ILE  80   8.485   1.293  10.473
  701    H    LYS  81           H        LYS  81   9.661   6.308   6.638
  702    HA   LYS  81           HA       LYS  81   7.722   8.367   6.990
  703   1HB   LYS  81          2HB       LYS  81  10.201   8.678   7.118
  704   2HB   LYS  81          1HB       LYS  81  10.271   8.530   5.364
  705   1HG   LYS  81          2HG       LYS  81   8.766  10.481   5.145
  706   2HG   LYS  81          1HG       LYS  81   8.706  10.623   6.901
  707   1HD   LYS  81          2HD       LYS  81  11.392  10.576   5.587
  708   2HD   LYS  81          1HD       LYS  81  10.439  12.055   5.476
  709   1HE   LYS  81          2HE       LYS  81  10.897  10.648   8.112
  710   2HE   LYS  81          1HE       LYS  81  12.023  11.856   7.491
  711   1HZ   LYS  81          1HZ       LYS  81   9.703  13.123   7.171
  712   2HZ   LYS  81          2HZ       LYS  81  10.662  13.263   8.567
  713   3HZ   LYS  81          3HZ       LYS  81   9.341  12.197   8.545
  714    H    ILE  82           H        ILE  82   8.755   6.633   4.083
  715    HA   ILE  82           HA       ILE  82   7.139   8.409   2.354
  716    HB   ILE  82           HB       ILE  82   8.686   5.918   1.613
  717   1HG1  ILE  82          2HG1      ILE  82  10.212   7.488   2.674
  718   2HG1  ILE  82          1HG1      ILE  82  10.466   7.556   0.930
  719   1HG2  ILE  82          1HG2      ILE  82   7.691   8.303   0.018
  720   2HG2  ILE  82          2HG2      ILE  82   7.059   6.658  -0.067
  721   3HG2  ILE  82          3HG2      ILE  82   8.695   7.004  -0.627
  722   1HD1  ILE  82          1HD1      ILE  82  10.353   9.827   1.513
  723   2HD1  ILE  82          2HD1      ILE  82   9.088   9.555   2.712
  724   3HD1  ILE  82          3HD1      ILE  82   8.704   9.481   0.992
  725    H    PHE  83           H        PHE  83   7.126   5.024   3.466
  726    HA   PHE  83           HA       PHE  83   5.039   4.039   1.849
  727   1HB   PHE  83          2HB       PHE  83   6.239   3.326   4.455
  728   2HB   PHE  83          1HB       PHE  83   4.593   2.739   4.212
  729    HD1  PHE  83           1HD      PHE  83   4.119   0.968   2.684
  730    HD2  PHE  83           2HD      PHE  83   8.022   2.763   2.759
  731    HE1  PHE  83           1HE      PHE  83   4.972  -0.826   1.199
  732    HE2  PHE  83           2HE      PHE  83   8.875   0.967   1.276
  733    HZ   PHE  83           HZ       PHE  83   7.350  -0.828   0.496
  734    H    GLN  84           H        GLN  84   4.829   5.754   4.966
  735    HA   GLN  84           HA       GLN  84   2.019   5.625   5.312
  736   1HB   GLN  84          2HB       GLN  84   2.288   7.514   6.799
  737   2HB   GLN  84          1HB       GLN  84   3.713   6.493   6.975
  738   1HG   GLN  84          2HG       GLN  84   4.855   7.979   5.258
  739   2HG   GLN  84          1HG       GLN  84   3.480   9.075   5.411
  740   1HE2  GLN  84          1HE2      GLN  84   5.728   7.293   7.623
  741   2HE2  GLN  84          2HE2      GLN  84   5.907   8.589   8.711
  742    H    ARG  85           H        ARG  85   4.017   7.939   3.493
  743    HA   ARG  85           HA       ARG  85   2.006   9.746   2.695
  744   1HB   ARG  85          2HB       ARG  85   4.487   9.953   2.225
  745   2HB   ARG  85          1HB       ARG  85   4.286   8.764   0.942
  746   1HG   ARG  85          2HG       ARG  85   4.072  10.755  -0.257
  747   2HG   ARG  85          1HG       ARG  85   2.381  10.419   0.127
  748   1HD   ARG  85          2HD       ARG  85   2.978  12.783   0.644
  749   2HD   ARG  85          1HD       ARG  85   2.515  11.906   2.078
  750    HE   ARG  85           HE       ARG  85   5.328  11.667   1.863
  751   1HH1  ARG  85          1HH2      ARG  85   2.898  14.111   2.146
  752   2HH1  ARG  85          2HH2      ARG  85   3.962  15.289   2.843
  753   1HH2  ARG  85          1HH1      ARG  85   6.736  13.220   2.847
  754   2HH2  ARG  85          2HH1      ARG  85   6.113  14.791   3.227
  755    H    LEU  86           H        LEU  86   2.944   6.619   1.263
  756    HA   LEU  86           HA       LEU  86   1.195   6.694  -0.990
  757   1HB   LEU  86          2HB       LEU  86   2.514   4.509   0.589
  758   2HB   LEU  86          1HB       LEU  86   1.297   4.081  -0.610
  759    HG   LEU  86           HG       LEU  86   2.560   5.305  -2.334
  760   1HD1  LEU  86          1HD1      LEU  86   3.609   7.010  -0.960
  761   2HD1  LEU  86          2HD1      LEU  86   4.875   6.083  -1.764
  762   3HD1  LEU  86          3HD1      LEU  86   4.510   5.787  -0.065
  763   1HD2  LEU  86          1HD2      LEU  86   4.483   3.483  -0.886
  764   2HD2  LEU  86          2HD2      LEU  86   4.270   3.687  -2.625
  765   3HD2  LEU  86          3HD2      LEU  86   3.036   2.858  -1.676
  766    H    ILE  87           H        ILE  87   0.685   5.519   2.337
  767    HA   ILE  87           HA       ILE  87  -1.940   4.460   1.911
  768    HB   ILE  87           HB       ILE  87  -0.879   5.695   4.467
  769   1HG1  ILE  87          2HG1      ILE  87   0.783   4.124   3.648
  770   2HG1  ILE  87          1HG1      ILE  87  -0.100   3.359   4.969
  771   1HG2  ILE  87          1HG2      ILE  87  -3.300   5.095   4.389
  772   2HG2  ILE  87          2HG2      ILE  87  -2.394   4.126   5.551
  773   3HG2  ILE  87          3HG2      ILE  87  -2.847   3.439   3.991
  774   1HD1  ILE  87          1HD1      ILE  87  -0.072   1.677   3.333
  775   2HD1  ILE  87          2HD1      ILE  87  -0.295   2.825   2.013
  776   3HD1  ILE  87          3HD1      ILE  87  -1.645   2.432   3.077
  777    H    GLU  88           H        GLU  88  -0.800   7.708   2.774
  778    HA   GLU  88           HA       GLU  88  -3.259   8.915   3.449
  779   1HB   GLU  88          2HB       GLU  88  -0.900  10.076   1.934
  780   2HB   GLU  88          1HB       GLU  88  -2.203  11.034   2.635
  781   1HG   GLU  88          2HG       GLU  88  -0.606   9.095   4.312
  782   2HG   GLU  88          1HG       GLU  88  -0.054  10.749   4.040
  783    H    HIS  89           H        HIS  89  -1.716   8.784   0.220
  784    HA   HIS  89           HA       HIS  89  -3.954   9.956  -1.144
  785   1HB   HIS  89          2HB       HIS  89  -2.754   9.538  -3.118
  786   2HB   HIS  89          1HB       HIS  89  -1.481   9.669  -1.909
  787    HD1  HIS  89           1HD      HIS  89  -3.712   6.671  -2.673
  788    HD2  HIS  89           2HD      HIS  89   0.324   7.726  -2.712
  789    HE1  HIS  89           1HE      HIS  89  -2.418   4.545  -3.151
  790    HE2  HIS  89           2HE      HIS  89   0.038   5.175  -3.177
  791    H    ASN  90           H        ASN  90  -3.350   6.788   0.059
  792    HA   ASN  90           HA       ASN  90  -5.052   5.281  -1.711
  793   1HB   ASN  90          2HB       ASN  90  -3.311   4.458   0.055
  794   2HB   ASN  90          1HB       ASN  90  -4.635   4.622   1.206
  795   1HD2  ASN  90          1HD2      ASN  90  -3.497   2.785  -1.602
  796   2HD2  ASN  90          2HD2      ASN  90  -4.675   1.567  -1.501
  797    H    LYS  91           H        LYS  91  -5.596   6.938   1.398
  798    HA   LYS  91           HA       LYS  91  -8.435   6.254   1.473
  799   1HB   LYS  91          2HB       LYS  91  -6.771   8.256   3.044
  800   2HB   LYS  91          1HB       LYS  91  -8.471   7.912   3.370
  801   1HG   LYS  91          2HG       LYS  91  -7.885   5.515   3.731
  802   2HG   LYS  91          1HG       LYS  91  -6.184   5.920   3.497
  803   1HD   LYS  91          2HD       LYS  91  -7.870   7.335   5.569
  804   2HD   LYS  91          1HD       LYS  91  -7.043   5.820   5.932
  805   1HE   LYS  91          2HE       LYS  91  -4.905   6.921   5.103
  806   2HE   LYS  91          1HE       LYS  91  -5.794   8.443   5.080
  807   1HZ   LYS  91          1HZ       LYS  91  -6.397   7.568   7.511
  808   2HZ   LYS  91          2HZ       LYS  91  -5.052   8.555   7.188
  809   3HZ   LYS  91          3HZ       LYS  91  -4.859   6.873   7.341
  810    H    ALA  92           H        ALA  92  -6.560   8.479  -0.220
  811    HA   ALA  92           HA       ALA  92  -8.379  10.725  -0.295
  812   1HB   ALA  92          1HB       ALA  92  -5.983  10.955  -0.825
  813   2HB   ALA  92          2HB       ALA  92  -6.992  11.500  -2.165
  814   3HB   ALA  92          3HB       ALA  92  -6.204   9.925  -2.240
  815    H    LEU  93           H        LEU  93  -7.544   8.379  -2.893
  816    HA   LEU  93           HA       LEU  93  -9.884   9.203  -4.410
  817   1HB   LEU  93          2HB       LEU  93  -9.105   7.747  -6.116
  818   2HB   LEU  93          1HB       LEU  93  -7.671   8.453  -5.390
  819    HG   LEU  93           HG       LEU  93  -7.227   6.127  -5.705
  820   1HD1  LEU  93          1HD1      LEU  93  -8.007   6.398  -2.798
  821   2HD1  LEU  93          2HD1      LEU  93  -6.578   7.158  -3.500
  822   3HD1  LEU  93          3HD1      LEU  93  -6.723   5.401  -3.482
  823   1HD2  LEU  93          1HD2      LEU  93  -9.932   5.781  -5.514
  824   2HD2  LEU  93          2HD2      LEU  93  -9.387   5.103  -3.980
  825   3HD2  LEU  93          3HD2      LEU  93  -8.758   4.465  -5.499
  826    H    GLN  94           H        GLN  94  -9.377   6.948  -1.905
  827    HA   GLN  94           HA       GLN  94 -11.408   5.016  -2.630
  828   1HB   GLN  94          2HB       GLN  94  -9.972   5.790  -0.106
  829   2HB   GLN  94          1HB       GLN  94 -11.386   4.740  -0.006
  830   1HG   GLN  94          2HG       GLN  94 -10.361   3.162  -1.579
  831   2HG   GLN  94          1HG       GLN  94  -8.951   4.211  -1.743
  832   1HE2  GLN  94          1HE2      GLN  94  -9.676   4.693   1.386
  833   2HE2  GLN  94          2HE2      GLN  94  -8.777   3.437   2.112
  834    H    LYS  95           H        LYS  95 -11.400   7.800  -0.383
  835    HA   LYS  95           HA       LYS  95 -14.225   7.675   0.165
  836   1HB   LYS  95          2HB       LYS  95 -12.242   9.961   0.444
  837   2HB   LYS  95          1HB       LYS  95 -13.882   9.982   1.087
  838   1HG   LYS  95          2HG       LYS  95 -13.317   7.912   2.407
  839   2HG   LYS  95          1HG       LYS  95 -11.645   8.090   1.872
  840   1HD   LYS  95          2HD       LYS  95 -11.513  10.305   2.907
  841   2HD   LYS  95          1HD       LYS  95 -13.210  10.213   3.372
  842   1HE   LYS  95          2HE       LYS  95 -12.151   9.547   5.342
  843   2HE   LYS  95          1HE       LYS  95 -12.469   7.992   4.573
  844   1HZ   LYS  95          1HZ       LYS  95 -10.115   8.608   3.496
  845   2HZ   LYS  95          2HZ       LYS  95 -10.279   7.703   4.924
  846   3HZ   LYS  95          3HZ       LYS  95  -9.947   9.368   5.004
  847    H    GLN  96           H        GLN  96 -12.270   9.586  -2.122
  848    HA   GLN  96           HA       GLN  96 -14.484  11.148  -3.105
  849   1HB   GLN  96          2HB       GLN  96 -11.724  10.521  -4.154
  850   2HB   GLN  96          1HB       GLN  96 -12.869  11.458  -5.112
  851   1HG   GLN  96          2HG       GLN  96 -12.120  12.164  -2.262
  852   2HG   GLN  96          1HG       GLN  96 -11.313  12.846  -3.674
  853   1HE2  GLN  96          1HE2      GLN  96 -14.075  13.152  -1.624
  854   2HE2  GLN  96          2HE2      GLN  96 -14.896  14.322  -2.538
  855    H    TYR  97           H        TYR  97 -12.946   8.139  -4.192
  856    HA   TYR  97           HA       TYR  97 -14.419   7.813  -6.613
  857   1HB   TYR  97          2HB       TYR  97 -12.454   6.463  -6.190
  858   2HB   TYR  97          1HB       TYR  97 -13.177   5.788  -4.730
  859    HD1  TYR  97           1HD      TYR  97 -14.423   3.794  -4.846
  860    HD2  TYR  97           2HD      TYR  97 -13.732   6.073  -8.423
  861    HE1  TYR  97           1HE      TYR  97 -15.479   1.998  -6.195
  862    HE2  TYR  97           2HE      TYR  97 -14.785   4.277  -9.769
  863    HH   TYR  97           HH       TYR  97 -15.583   2.185  -9.742
  864    H    LEU  98           H        LEU  98 -15.014   6.392  -3.376
  865    HA   LEU  98           HA       LEU  98 -17.460   5.099  -4.066
  866   1HB   LEU  98          2HB       LEU  98 -16.449   6.162  -1.417
  867   2HB   LEU  98          1HB       LEU  98 -17.924   5.216  -1.575
  868    HG   LEU  98           HG       LEU  98 -15.189   4.266  -2.484
  869   1HD1  LEU  98          1HD1      LEU  98 -15.025   4.342  -0.132
  870   2HD1  LEU  98          2HD1      LEU  98 -15.583   2.697  -0.441
  871   3HD1  LEU  98          3HD1      LEU  98 -16.726   3.931   0.089
  872   1HD2  LEU  98          1HD2      LEU  98 -16.737   2.993  -3.692
  873   2HD2  LEU  98          2HD2      LEU  98 -17.957   3.088  -2.422
  874   3HD2  LEU  98          3HD2      LEU  98 -16.563   2.027  -2.226
  875    H    GLU  99           H        GLU  99 -16.811   8.361  -2.799
  876    HA   GLU  99           HA       GLU  99 -19.565   9.138  -2.504
  877   1HB   GLU  99          2HB       GLU  99 -17.010  10.716  -2.859
  878   2HB   GLU  99          1HB       GLU  99 -18.581  11.491  -2.653
  879   1HG   GLU  99          2HG       GLU  99 -18.896  10.384  -0.501
  880   2HG   GLU  99          1HG       GLU  99 -17.393   9.485  -0.716
  881    H    GLU 100           H        GLU 100 -17.258   9.410  -5.188
  882    HA   GLU 100           HA       GLU 100 -19.084  10.931  -6.853
  883   1HB   GLU 100          2HB       GLU 100 -17.343  11.074  -8.319
  884   2HB   GLU 100          1HB       GLU 100 -16.420  10.562  -6.909
  885   1HG   GLU 100          2HG       GLU 100 -15.697   9.071  -8.569
  886   2HG   GLU 100          1HG       GLU 100 -16.944   8.142  -7.736
  887    H    THR 101           H        THR 101 -18.823   7.605  -6.073
  888    HA   THR 101           HA       THR 101 -20.146   6.724  -8.568
  889    HB   THR 101           HB       THR 101 -20.171   4.488  -7.289
  890    HG1  THR 101           1HG      THR 101 -19.083   4.412  -5.434
  891   1HG2  THR 101          1HG2      THR 101 -17.800   4.096  -7.774
  892   2HG2  THR 101          2HG2      THR 101 -17.509   5.834  -7.829
  893   3HG2  THR 101          3HG2      THR 101 -18.527   5.071  -9.051
  894    H    LEU 102           H        LEU 102 -20.951   7.694  -5.334
  895    HA   LEU 102           HA       LEU 102 -23.668   6.525  -5.501
  896   1HB   LEU 102          2HB       LEU 102 -22.345   8.226  -3.357
  897   2HB   LEU 102          1HB       LEU 102 -23.960   7.527  -3.236
  898    HG   LEU 102           HG       LEU 102 -21.455   5.885  -3.698
  899   1HD1  LEU 102          1HD1      LEU 102 -21.337   6.961  -1.498
  900   2HD1  LEU 102          2HD1      LEU 102 -21.699   5.246  -1.304
  901   3HD1  LEU 102          3HD1      LEU 102 -22.983   6.443  -1.138
  902   1HD2  LEU 102          1HD2      LEU 102 -23.268   4.587  -4.411
  903   2HD2  LEU 102          2HD2      LEU 102 -24.372   5.305  -3.237
  904   3HD2  LEU 102          3HD2      LEU 102 -23.158   4.139  -2.710
  905    H    GLU 103           H        GLU 103 -22.029   9.441  -6.261
  906    HA   GLU 103           HA       GLU 103 -24.510  11.074  -6.207
  907   1HB   GLU 103          2HB       GLU 103 -21.623  11.721  -6.874
  908   2HB   GLU 103          1HB       GLU 103 -22.935  12.892  -6.974
  909   1HG   GLU 103          2HG       GLU 103 -23.398  12.624  -4.588
  910   2HG   GLU 103          1HG       GLU 103 -22.153  11.378  -4.465
  911    H    HIS 104           H        HIS 104 -25.712  11.268  -7.986
  912    HA   HIS 104           HA       HIS 104 -24.612  10.376 -10.617
  913   1HB   HIS 104          2HB       HIS 104 -27.480  10.824  -9.676
  914   2HB   HIS 104          1HB       HIS 104 -27.034  10.327 -11.308
  915    HD1  HIS 104           1HD      HIS 104 -25.550   7.995 -11.380
  916    HD2  HIS 104           2HD      HIS 104 -27.786   8.690  -7.925
  917    HE1  HIS 104           1HE      HIS 104 -25.842   5.745 -10.248
  918    HE2  HIS 104           2HE      HIS 104 -27.200   6.156  -8.147
  919    H2   TSA 501           1H2      TSA 501  -4.421  -0.403   4.772
  920    H3   TSA 501           1H3      TSA 501  -6.588  -0.359   5.995
  921    H4   TSA 501           4H       TSA 501  -8.480   0.926   5.072
  922    HO5  TSA 501           HO5      TSA 501  -7.225   1.989   6.661
  923    H5   TSA 501           5H       TSA 501  -7.909   2.909   3.467
  924   1H6   TSA 501          1H6       TSA 501  -5.827   2.612   2.089
  925   2H6   TSA 501          2H6       TSA 501  -5.369   2.766   3.725
  926    H8   TSA 501           8H       TSA 501  -7.914  -0.209   0.940
  927   1H9   TSA 501          1H9       TSA 501  -5.608  -1.069   1.868
  928   2H9   TSA 501          2H9       TSA 501  -5.641   0.273   0.883
  Start of MODEL    5
    1   1H    MET   1          1HT       MET   1 -15.600 -14.412  -0.586
    2   2H    MET   1          2HT       MET   1 -15.360 -12.826  -1.148
    3   3H    MET   1          3HT       MET   1 -16.912 -13.518  -1.182
    4    HA   MET   1           HA       MET   1 -16.923 -12.068   0.651
    5   1HB   MET   1          2HB       MET   1 -16.389 -14.932   1.502
    6   2HB   MET   1          1HB       MET   1 -17.027 -13.692   2.583
    7   1HG   MET   1          2HG       MET   1 -18.968 -13.378   1.096
    8   2HG   MET   1          1HG       MET   1 -18.328 -14.589  -0.013
    9   1HE   MET   1          1HE       MET   1 -18.983 -14.053   3.828
   10   2HE   MET   1          2HE       MET   1 -20.345 -15.150   4.041
   11   3HE   MET   1          3HE       MET   1 -20.477 -13.802   2.915
   12    H    ILE   2           H        ILE   2 -15.234 -10.625   0.942
   13    HA   ILE   2           HA       ILE   2 -13.259  -9.752   1.865
   14    HB   ILE   2           HB       ILE   2 -13.435 -12.259   3.569
   15   1HG1  ILE   2          2HG1      ILE   2 -14.379  -9.453   4.220
   16   2HG1  ILE   2          1HG1      ILE   2 -15.446 -10.698   3.572
   17   1HG2  ILE   2          1HG2      ILE   2 -11.244 -11.341   3.800
   18   2HG2  ILE   2          2HG2      ILE   2 -12.157 -10.752   5.189
   19   3HG2  ILE   2          3HG2      ILE   2 -11.860  -9.688   3.815
   20   1HD1  ILE   2          1HD1      ILE   2 -14.780 -12.174   5.497
   21   2HD1  ILE   2          2HD1      ILE   2 -15.650 -10.720   5.984
   22   3HD1  ILE   2          3HD1      ILE   2 -13.899 -10.805   6.174
   23    H    GLU   3           H        GLU   3 -13.384 -12.793   0.351
   24    HA   GLU   3           HA       GLU   3 -10.623 -13.579   0.469
   25   1HB   GLU   3          2HB       GLU   3 -12.785 -14.093  -1.593
   26   2HB   GLU   3          1HB       GLU   3 -11.189 -14.841  -1.650
   27   1HG   GLU   3          2HG       GLU   3 -11.550 -15.872   0.533
   28   2HG   GLU   3          1HG       GLU   3 -13.108 -15.060   0.688
   29    H    LYS   4           H        LYS   4 -12.447 -11.646  -1.912
   30    HA   LYS   4           HA       LYS   4 -10.239 -11.136  -3.660
   31   1HB   LYS   4          2HB       LYS   4 -12.783  -9.565  -3.126
   32   2HB   LYS   4          1HB       LYS   4 -11.654  -9.187  -4.427
   33   1HG   LYS   4          2HG       LYS   4 -11.966 -11.443  -5.371
   34   2HG   LYS   4          1HG       LYS   4 -13.085 -11.840  -4.066
   35   1HD   LYS   4          2HD       LYS   4 -14.572  -9.988  -4.796
   36   2HD   LYS   4          1HD       LYS   4 -13.467  -9.644  -6.126
   37   1HE   LYS   4          2HE       LYS   4 -14.783 -12.341  -5.712
   38   2HE   LYS   4          1HE       LYS   4 -15.445 -11.087  -6.761
   39   1HZ   LYS   4          1HZ       LYS   4 -13.951 -11.530  -8.332
   40   2HZ   LYS   4          2HZ       LYS   4 -13.612 -12.961  -7.482
   41   3HZ   LYS   4          3HZ       LYS   4 -12.662 -11.575  -7.232
   42    H    LEU   5           H        LEU   5 -11.480  -9.380  -0.833
   43    HA   LEU   5           HA       LEU   5  -9.804  -7.078  -1.012
   44   1HB   LEU   5          2HB       LEU   5 -11.776  -7.318   0.499
   45   2HB   LEU   5          1HB       LEU   5 -10.858  -8.463   1.473
   46    HG   LEU   5           HG       LEU   5  -9.508  -5.872   0.973
   47   1HD1  LEU   5          1HD1      LEU   5 -11.746  -5.012   1.292
   48   2HD1  LEU   5          2HD1      LEU   5 -10.877  -4.803   2.813
   49   3HD1  LEU   5          3HD1      LEU   5 -12.035  -6.121   2.634
   50   1HD2  LEU   5          1HD2      LEU   5  -8.584  -7.615   2.462
   51   2HD2  LEU   5          2HD2      LEU   5 -10.050  -7.562   3.442
   52   3HD2  LEU   5          3HD2      LEU   5  -8.978  -6.163   3.381
   53    H    ALA   6           H        ALA   6  -9.237 -10.312   0.246
   54    HA   ALA   6           HA       ALA   6  -6.756  -9.669   1.597
   55   1HB   ALA   6          1HB       ALA   6  -7.984 -11.623   2.292
   56   2HB   ALA   6          2HB       ALA   6  -6.459 -12.171   1.596
   57   3HB   ALA   6          3HB       ALA   6  -7.948 -12.288   0.661
   58    H    GLU   7           H        GLU   7  -7.334 -11.611  -1.376
   59    HA   GLU   7           HA       GLU   7  -4.638 -11.804  -2.163
   60   1HB   GLU   7          2HB       GLU   7  -7.125 -11.625  -3.882
   61   2HB   GLU   7          1HB       GLU   7  -5.536 -12.099  -4.484
   62   1HG   GLU   7          2HG       GLU   7  -6.959 -13.509  -2.210
   63   2HG   GLU   7          1HG       GLU   7  -7.022 -14.044  -3.889
   64    H    ILE   8           H        ILE   8  -6.952  -9.178  -2.722
   65    HA   ILE   8           HA       ILE   8  -5.370  -7.687  -4.580
   66    HB   ILE   8           HB       ILE   8  -7.467  -6.848  -2.573
   67   1HG1  ILE   8          2HG1      ILE   8  -7.573  -6.921  -5.599
   68   2HG1  ILE   8          1HG1      ILE   8  -8.057  -8.289  -4.595
   69   1HG2  ILE   8          1HG2      ILE   8  -7.389  -4.805  -4.348
   70   2HG2  ILE   8          2HG2      ILE   8  -5.680  -5.241  -4.315
   71   3HG2  ILE   8          3HG2      ILE   8  -6.505  -4.788  -2.823
   72   1HD1  ILE   8          1HD1      ILE   8 -10.042  -6.990  -5.108
   73   2HD1  ILE   8          2HD1      ILE   8  -9.257  -5.504  -4.571
   74   3HD1  ILE   8          3HD1      ILE   8  -9.660  -6.762  -3.402
   75    H    ARG   9           H        ARG   9  -5.584  -7.504  -1.016
   76    HA   ARG   9           HA       ARG   9  -3.666  -5.362  -0.787
   77   1HB   ARG   9          2HB       ARG   9  -4.724  -7.413   1.188
   78   2HB   ARG   9          1HB       ARG   9  -3.563  -6.166   1.646
   79   1HG   ARG   9          2HG       ARG   9  -5.176  -4.447   0.703
   80   2HG   ARG   9          1HG       ARG   9  -6.365  -5.742   0.550
   81   1HD   ARG   9          2HD       ARG   9  -6.236  -6.175   2.962
   82   2HD   ARG   9          1HD       ARG   9  -4.976  -4.955   3.124
   83    HE   ARG   9           HE       ARG   9  -7.048  -3.517   2.027
   84   1HH1  ARG   9          1HH2      ARG   9  -6.829  -5.776   4.621
   85   2HH1  ARG   9          2HH2      ARG   9  -7.867  -4.872   5.678
   86   1HH2  ARG   9          1HH1      ARG   9  -8.491  -2.372   3.358
   87   2HH2  ARG   9          2HH1      ARG   9  -8.793  -2.935   4.969
   88    H    LYS  10           H        LYS  10  -3.373  -8.796  -1.239
   89    HA   LYS  10           HA       LYS  10  -0.651  -9.069  -0.292
   90   1HB   LYS  10          2HB       LYS  10  -2.352 -10.684  -2.220
   91   2HB   LYS  10          1HB       LYS  10  -0.698 -11.138  -1.809
   92   1HG   LYS  10          2HG       LYS  10  -1.367 -11.137   0.619
   93   2HG   LYS  10          1HG       LYS  10  -3.034 -10.861   0.108
   94   1HD   LYS  10          2HD       LYS  10  -2.971 -12.951  -1.217
   95   2HD   LYS  10          1HD       LYS  10  -1.315 -13.234  -0.680
   96   1HE   LYS  10          2HE       LYS  10  -2.097 -13.293   1.670
   97   2HE   LYS  10          1HE       LYS  10  -3.754 -13.048   1.117
   98   1HZ   LYS  10          1HZ       LYS  10  -2.782 -15.440   1.531
   99   2HZ   LYS  10          2HZ       LYS  10  -2.225 -15.246  -0.063
  100   3HZ   LYS  10          3HZ       LYS  10  -3.886 -15.140   0.277
  101    H    LYS  11           H        LYS  11  -2.177  -8.106  -3.329
  102    HA   LYS  11           HA       LYS  11   0.150  -8.110  -4.989
  103   1HB   LYS  11          2HB       LYS  11  -2.146  -6.121  -5.111
  104   2HB   LYS  11          1HB       LYS  11  -1.070  -6.575  -6.430
  105   1HG   LYS  11          2HG       LYS  11  -1.926  -8.915  -6.278
  106   2HG   LYS  11          1HG       LYS  11  -3.064  -8.388  -5.037
  107   1HD   LYS  11          2HD       LYS  11  -4.193  -8.416  -7.206
  108   2HD   LYS  11          1HD       LYS  11  -4.018  -6.748  -6.661
  109   1HE   LYS  11          2HE       LYS  11  -1.798  -7.852  -8.306
  110   2HE   LYS  11          1HE       LYS  11  -3.318  -7.532  -9.139
  111   1HZ   LYS  11          1HZ       LYS  11  -3.138  -5.316  -8.819
  112   2HZ   LYS  11          2HZ       LYS  11  -1.479  -5.677  -8.761
  113   3HZ   LYS  11          3HZ       LYS  11  -2.357  -5.466  -7.322
  114    H    ILE  12           H        ILE  12  -1.205  -5.695  -2.765
  115    HA   ILE  12           HA       ILE  12   0.650  -3.594  -3.279
  116    HB   ILE  12           HB       ILE  12  -1.002  -4.394  -0.887
  117   1HG1  ILE  12          2HG1      ILE  12  -2.076  -2.211  -1.347
  118   2HG1  ILE  12          1HG1      ILE  12  -0.941  -1.932  -2.668
  119   1HG2  ILE  12          1HG2      ILE  12  -0.206  -2.121   0.065
  120   2HG2  ILE  12          2HG2      ILE  12   1.167  -2.302  -1.029
  121   3HG2  ILE  12          3HG2      ILE  12   0.878  -3.503   0.230
  122   1HD1  ILE  12          1HD1      ILE  12  -2.547  -4.462  -2.644
  123   2HD1  ILE  12          2HD1      ILE  12  -1.902  -3.565  -4.017
  124   3HD1  ILE  12          3HD1      ILE  12  -3.322  -2.965  -3.159
  125    H    ASP  13           H        ASP  13   0.820  -6.479  -1.264
  126    HA   ASP  13           HA       ASP  13   3.154  -5.904   0.227
  127   1HB   ASP  13          2HB       ASP  13   1.583  -7.936   0.402
  128   2HB   ASP  13          1HB       ASP  13   2.515  -8.632  -0.921
  129    H    GLU  14           H        GLU  14   2.796  -7.305  -3.030
  130    HA   GLU  14           HA       GLU  14   5.592  -7.697  -3.518
  131   1HB   GLU  14          2HB       GLU  14   3.274  -7.196  -5.407
  132   2HB   GLU  14          1HB       GLU  14   4.897  -7.615  -5.950
  133   1HG   GLU  14          2HG       GLU  14   4.798  -9.725  -4.702
  134   2HG   GLU  14          1HG       GLU  14   3.202  -9.301  -4.082
  135    H    ILE  15           H        ILE  15   3.460  -4.911  -3.791
  136    HA   ILE  15           HA       ILE  15   5.434  -3.253  -5.171
  137    HB   ILE  15           HB       ILE  15   2.758  -2.733  -3.876
  138   1HG1  ILE  15          2HG1      ILE  15   2.438  -1.770  -6.274
  139   2HG1  ILE  15          1HG1      ILE  15   3.916  -2.652  -6.661
  140   1HG2  ILE  15          1HG2      ILE  15   3.883  -0.762  -3.251
  141   2HG2  ILE  15          2HG2      ILE  15   3.158  -0.334  -4.802
  142   3HG2  ILE  15          3HG2      ILE  15   4.869  -0.754  -4.713
  143   1HD1  ILE  15          1HD1      ILE  15   1.417  -3.872  -5.442
  144   2HD1  ILE  15          2HD1      ILE  15   2.890  -4.745  -5.865
  145   3HD1  ILE  15          3HD1      ILE  15   1.901  -4.018  -7.132
  146    H    ASP  16           H        ASP  16   4.282  -3.662  -1.843
  147    HA   ASP  16           HA       ASP  16   5.654  -1.512  -0.626
  148   1HB   ASP  16          2HB       ASP  16   4.904  -4.264   0.400
  149   2HB   ASP  16          1HB       ASP  16   5.603  -3.023   1.438
  150    H    ASN  17           H        ASN  17   6.753  -4.893  -1.044
  151    HA   ASN  17           HA       ASN  17   9.398  -4.437  -0.042
  152   1HB   ASN  17          2HB       ASN  17   8.285  -6.691  -0.391
  153   2HB   ASN  17          1HB       ASN  17   8.585  -6.483  -2.115
  154   1HD2  ASN  17          1HD2      ASN  17  10.260  -6.727   1.043
  155   2HD2  ASN  17          2HD2      ASN  17  11.752  -7.232   0.393
  156    H    LYS  18           H        LYS  18   7.956  -4.128  -3.245
  157    HA   LYS  18           HA       LYS  18  10.335  -3.875  -4.784
  158   1HB   LYS  18          2HB       LYS  18   8.008  -4.135  -5.692
  159   2HB   LYS  18          1HB       LYS  18   7.696  -2.456  -5.256
  160   1HG   LYS  18          2HG       LYS  18   9.530  -1.722  -6.735
  161   2HG   LYS  18          1HG       LYS  18   9.859  -3.403  -7.165
  162   1HD   LYS  18          2HD       LYS  18   7.519  -3.599  -8.027
  163   2HD   LYS  18          1HD       LYS  18   7.285  -1.883  -7.695
  164   1HE   LYS  18          2HE       LYS  18   9.551  -2.860  -9.437
  165   2HE   LYS  18          1HE       LYS  18   7.952  -2.520 -10.100
  166   1HZ   LYS  18          1HZ       LYS  18   8.888  -0.479 -10.314
  167   2HZ   LYS  18          2HZ       LYS  18   9.944  -0.685  -8.999
  168   3HZ   LYS  18          3HZ       LYS  18   8.307  -0.312  -8.729
  169    H    ILE  19           H        ILE  19   8.421  -1.365  -3.094
  170    HA   ILE  19           HA       ILE  19  10.128   0.797  -3.998
  171    HB   ILE  19           HB       ILE  19   7.849   1.275  -3.341
  172   1HG1  ILE  19          2HG1      ILE  19  10.015   2.749  -2.599
  173   2HG1  ILE  19          1HG1      ILE  19   8.350   3.274  -2.357
  174   1HG2  ILE  19          1HG2      ILE  19   7.272   1.082  -0.860
  175   2HG2  ILE  19          2HG2      ILE  19   8.706   0.067  -0.706
  176   3HG2  ILE  19          3HG2      ILE  19   7.375  -0.437  -1.751
  177   1HD1  ILE  19          1HD1      ILE  19   8.342   2.543  -0.087
  178   2HD1  ILE  19          2HD1      ILE  19   9.867   3.402  -0.303
  179   3HD1  ILE  19          3HD1      ILE  19   9.842   1.639  -0.297
  180    H    LEU  20           H        LEU  20  10.218  -1.424  -1.286
  181    HA   LEU  20           HA       LEU  20  12.106   0.128   0.289
  182   1HB   LEU  20          2HB       LEU  20  11.328  -2.803   0.311
  183   2HB   LEU  20          1HB       LEU  20  12.492  -2.112   1.438
  184    HG   LEU  20           HG       LEU  20   9.646  -1.113   1.107
  185   1HD1  LEU  20          1HD1      LEU  20  10.826  -2.809   3.326
  186   2HD1  LEU  20          2HD1      LEU  20   9.835  -3.453   2.018
  187   3HD1  LEU  20          3HD1      LEU  20   9.146  -2.302   3.162
  188   1HD2  LEU  20          1HD2      LEU  20  10.760   0.672   2.080
  189   2HD2  LEU  20          2HD2      LEU  20  11.999  -0.356   2.799
  190   3HD2  LEU  20          3HD2      LEU  20  10.395  -0.265   3.529
  191    H    LYS  21           H        LYS  21  12.328  -2.086  -2.405
  192    HA   LYS  21           HA       LYS  21  15.293  -1.759  -2.357
  193   1HB   LYS  21          2HB       LYS  21  14.722  -4.011  -1.465
  194   2HB   LYS  21          1HB       LYS  21  13.845  -4.360  -2.955
  195   1HG   LYS  21          2HG       LYS  21  15.910  -4.085  -4.259
  196   2HG   LYS  21          1HG       LYS  21  16.796  -3.668  -2.792
  197   1HD   LYS  21          2HD       LYS  21  16.273  -5.897  -1.851
  198   2HD   LYS  21          1HD       LYS  21  15.424  -6.318  -3.338
  199   1HE   LYS  21          2HE       LYS  21  17.501  -6.026  -4.625
  200   2HE   LYS  21          1HE       LYS  21  18.355  -5.559  -3.155
  201   1HZ   LYS  21          1HZ       LYS  21  17.605  -7.783  -2.250
  202   2HZ   LYS  21          2HZ       LYS  21  18.813  -7.815  -3.444
  203   3HZ   LYS  21          3HZ       LYS  21  17.207  -8.194  -3.846
  204    H    ALA  22           H        ALA  22  16.073  -1.147  -4.334
  205    HA   ALA  22           HA       ALA  22  14.480  -1.788  -6.756
  206   1HB   ALA  22          1HB       ALA  22  14.700   0.553  -7.555
  207   2HB   ALA  22          2HB       ALA  22  15.424   0.996  -6.008
  208   3HB   ALA  22          3HB       ALA  22  13.748   0.448  -6.074
  209    H    ARG  23           H        ARG  23  15.945  -2.955  -7.919
  210    HA   ARG  23           HA       ARG  23  18.815  -2.319  -7.760
  211   1HB   ARG  23          2HB       ARG  23  17.253  -4.454  -9.251
  212   2HB   ARG  23          1HB       ARG  23  19.005  -4.280  -9.358
  213   1HG   ARG  23          2HG       ARG  23  19.205  -4.598  -6.921
  214   2HG   ARG  23          1HG       ARG  23  17.449  -4.720  -6.786
  215   1HD   ARG  23          2HD       ARG  23  17.466  -6.744  -8.200
  216   2HD   ARG  23          1HD       ARG  23  19.219  -6.623  -8.382
  217    HE   ARG  23           HE       ARG  23  18.831  -6.707  -5.630
  218   1HH1  ARG  23          1HH2      ARG  23  17.882  -8.627  -8.334
  219   2HH1  ARG  23          2HH2      ARG  23  17.873 -10.111  -7.442
  220   1HH2  ARG  23          1HH1      ARG  23  18.818  -8.656  -4.451
  221   2HH2  ARG  23          2HH1      ARG  23  18.408 -10.133  -5.260
  222    H    TRP  24           H        TRP  24  16.782  -2.965 -10.637
  223    HA   TRP  24           HA       TRP  24  18.383  -0.955 -12.117
  224   1HB   TRP  24          2HB       TRP  24  16.231  -2.437 -13.517
  225   2HB   TRP  24          1HB       TRP  24  17.894  -2.130 -14.011
  226    HD1  TRP  24           HD       TRP  24  19.563  -3.467 -11.819
  227    HE1  TRP  24           1HE      TRP  24  19.488  -6.013 -11.406
  228    HE3  TRP  24           3HE      TRP  24  15.076  -4.578 -13.982
  229    HZ2  TRP  24           2HZ      TRP  24  17.748  -8.229 -11.927
  230    HZ3  TRP  24           3HZ      TRP  24  14.232  -6.907 -14.011
  231    HH2  TRP  24           HH       TRP  24  15.560  -8.733 -12.987
  232    HA   PRO  25           HA       PRO  25  13.639   0.337 -12.611
  233   1HB   PRO  25          2HB       PRO  25  12.862  -0.348  -9.807
  234   2HB   PRO  25          1HB       PRO  25  11.915  -0.476 -11.304
  235   1HG   PRO  25          2HG       PRO  25  12.896  -2.641 -10.179
  236   2HG   PRO  25          1HG       PRO  25  12.952  -2.451 -11.941
  237   1HD   PRO  25          2HD       PRO  25  15.176  -2.097  -9.941
  238   2HD   PRO  25          1HD       PRO  25  15.217  -2.873 -11.539
  239    H    TRP  26           H        TRP  26  13.212   2.513 -12.249
  240    HA   TRP  26           HA       TRP  26  14.975   3.951 -10.413
  241   1HB   TRP  26          2HB       TRP  26  12.791   4.841 -12.310
  242   2HB   TRP  26          1HB       TRP  26  13.692   5.964 -11.290
  243    HD1  TRP  26           HD       TRP  26  13.957   3.916 -14.432
  244    HE1  TRP  26           1HE      TRP  26  16.242   4.340 -15.549
  245    HE3  TRP  26           3HE      TRP  26  16.272   6.540 -10.719
  246    HZ2  TRP  26           2HZ      TRP  26  18.727   5.627 -14.941
  247    HZ3  TRP  26           3HZ      TRP  26  18.593   7.354 -11.010
  248    HH2  TRP  26           HH       TRP  26  19.823   6.901 -13.115
  249    H    ALA  27           H        ALA  27  12.169   2.284  -9.924
  250    HA   ALA  27           HA       ALA  27  10.611   2.291  -8.172
  251   1HB   ALA  27          1HB       ALA  27  11.331   3.128  -6.103
  252   2HB   ALA  27          2HB       ALA  27  12.194   4.479  -6.840
  253   3HB   ALA  27          3HB       ALA  27  12.855   2.847  -6.943
  254    H    GLU  28           H        GLU  28   9.733   3.672 -10.282
  255    HA   GLU  28           HA       GLU  28   9.197   6.431 -10.044
  256   1HB   GLU  28          2HB       GLU  28   7.210   5.984 -11.469
  257   2HB   GLU  28          1HB       GLU  28   8.645   5.154 -12.070
  258   1HG   GLU  28          2HG       GLU  28   7.912   3.082 -10.920
  259   2HG   GLU  28          1HG       GLU  28   6.457   3.916 -10.374
  260    H    LYS  29           H        LYS  29   6.542   6.925  -9.851
  261    HA   LYS  29           HA       LYS  29   6.067   6.730  -6.994
  262   1HB   LYS  29          2HB       LYS  29   4.317   7.729  -9.265
  263   2HB   LYS  29          1HB       LYS  29   3.900   7.869  -7.557
  264   1HG   LYS  29          2HG       LYS  29   5.957   9.177  -7.160
  265   2HG   LYS  29          1HG       LYS  29   6.365   9.051  -8.872
  266   1HD   LYS  29          2HD       LYS  29   4.289  10.238  -9.466
  267   2HD   LYS  29          1HD       LYS  29   3.857  10.344  -7.759
  268   1HE   LYS  29          2HE       LYS  29   5.876  11.675  -7.316
  269   2HE   LYS  29          1HE       LYS  29   6.338  11.557  -9.013
  270   1HZ   LYS  29          1HZ       LYS  29   4.958  13.581  -8.054
  271   2HZ   LYS  29          2HZ       LYS  29   3.661  12.551  -8.430
  272   3HZ   LYS  29          3HZ       LYS  29   4.756  13.020  -9.642
  273    H    LEU  30           H        LEU  30   4.755   5.284  -5.915
  274    HA   LEU  30           HA       LEU  30   3.658   3.055  -7.528
  275   1HB   LEU  30          2HB       LEU  30   4.227   3.408  -4.581
  276   2HB   LEU  30          1HB       LEU  30   3.253   2.065  -5.174
  277    HG   LEU  30           HG       LEU  30   5.697   1.511  -4.914
  278   1HD1  LEU  30          1HD1      LEU  30   5.649   0.114  -6.752
  279   2HD1  LEU  30          2HD1      LEU  30   5.131   1.398  -7.845
  280   3HD1  LEU  30          3HD1      LEU  30   3.964   0.640  -6.762
  281   1HD2  LEU  30          1HD2      LEU  30   7.326   2.517  -6.325
  282   2HD2  LEU  30          2HD2      LEU  30   6.369   3.873  -5.729
  283   3HD2  LEU  30          3HD2      LEU  30   6.096   3.249  -7.356
  284    H    ILE  31           H        ILE  31   2.494   5.923  -6.956
  285    HA   ILE  31           HA       ILE  31   0.053   5.556  -5.504
  286    HB   ILE  31           HB       ILE  31   0.761   7.483  -7.739
  287   1HG1  ILE  31          2HG1      ILE  31   0.498   7.962  -4.758
  288   2HG1  ILE  31          1HG1      ILE  31   2.033   7.581  -5.537
  289   1HG2  ILE  31          1HG2      ILE  31  -1.667   7.284  -5.943
  290   2HG2  ILE  31          2HG2      ILE  31  -1.626   7.356  -7.705
  291   3HG2  ILE  31          3HG2      ILE  31  -1.210   8.782  -6.754
  292   1HD1  ILE  31          1HD1      ILE  31   0.249   9.948  -6.184
  293   2HD1  ILE  31          2HD1      ILE  31   1.751   9.554  -7.021
  294   3HD1  ILE  31          3HD1      ILE  31   1.784  10.014  -5.318
  295    H    ALA  32           H        ALA  32   0.828   5.222  -8.965
  296    HA   ALA  32           HA       ALA  32  -1.739   4.775  -9.999
  297   1HB   ALA  32          1HB       ALA  32  -0.559   3.294 -11.688
  298   2HB   ALA  32          2HB       ALA  32   0.910   3.506 -10.734
  299   3HB   ALA  32          3HB       ALA  32   0.143   4.902 -11.494
  300    H    GLU  33           H        GLU  33   0.457   2.014  -9.438
  301    HA   GLU  33           HA       GLU  33  -1.534   0.039  -9.366
  302   1HB   GLU  33          2HB       GLU  33   1.096   0.146  -7.853
  303   2HB   GLU  33          1HB       GLU  33   0.117  -1.308  -8.037
  304   1HG   GLU  33          2HG       GLU  33   1.223   0.316 -10.346
  305   2HG   GLU  33          1HG       GLU  33   1.957  -1.162  -9.722
  306    H    ARG  34           H        ARG  34  -0.079   1.721  -6.548
  307    HA   ARG  34           HA       ARG  34  -1.688   0.534  -4.550
  308   1HB   ARG  34          2HB       ARG  34   0.237   1.979  -4.016
  309   2HB   ARG  34          1HB       ARG  34  -0.611   3.371  -4.674
  310   1HG   ARG  34          2HG       ARG  34  -0.860   3.462  -2.269
  311   2HG   ARG  34          1HG       ARG  34  -2.416   2.978  -2.947
  312   1HD   ARG  34          2HD       ARG  34  -2.325   0.983  -1.959
  313   2HD   ARG  34          1HD       ARG  34  -0.689   0.699  -2.474
  314    HE   ARG  34           HE       ARG  34  -0.433   2.481  -0.310
  315   1HH1  ARG  34          1HH2      ARG  34  -2.142  -0.420  -0.979
  316   2HH1  ARG  34          2HH2      ARG  34  -2.004  -1.033   0.634
  317   1HH2  ARG  34          1HH1      ARG  34  -0.209   1.693   1.823
  318   2HH2  ARG  34          2HH1      ARG  34  -0.920   0.156   2.212
  319    H    ASN  35           H        ASN  35  -2.305   3.438  -6.520
  320    HA   ASN  35           HA       ASN  35  -4.787   4.124  -5.311
  321   1HB   ASN  35          2HB       ASN  35  -3.683   5.705  -6.803
  322   2HB   ASN  35          1HB       ASN  35  -3.779   4.555  -8.141
  323   1HD2  ASN  35          1HD2      ASN  35  -5.242   7.290  -7.014
  324   2HD2  ASN  35          2HD2      ASN  35  -6.816   7.056  -7.623
  325    H    SER  36           H        SER  36  -4.086   2.098  -8.178
  326    HA   SER  36           HA       SER  36  -6.662   1.431  -8.996
  327   1HB   SER  36          2HB       SER  36  -4.995   0.430 -10.281
  328   2HB   SER  36          1HB       SER  36  -4.088  -0.112  -8.873
  329    HG   SER  36           HG       SER  36  -5.198  -1.890  -8.899
  330    H    LEU  37           H        LEU  37  -5.066  -1.190  -7.290
  331    HA   LEU  37           HA       LEU  37  -7.085  -2.552  -6.175
  332   1HB   LEU  37          2HB       LEU  37  -4.788  -1.553  -4.468
  333   2HB   LEU  37          1HB       LEU  37  -5.780  -2.967  -4.137
  334    HG   LEU  37           HG       LEU  37  -3.926  -3.946  -5.123
  335   1HD1  LEU  37          1HD1      LEU  37  -5.497  -3.229  -7.605
  336   2HD1  LEU  37          2HD1      LEU  37  -6.023  -4.446  -6.441
  337   3HD1  LEU  37          3HD1      LEU  37  -4.520  -4.673  -7.337
  338   1HD2  LEU  37          1HD2      LEU  37  -3.723  -1.835  -7.264
  339   2HD2  LEU  37          2HD2      LEU  37  -2.476  -2.939  -6.680
  340   3HD2  LEU  37          3HD2      LEU  37  -3.003  -1.590  -5.673
  341    H    ALA  38           H        ALA  38  -5.931   0.530  -4.796
  342    HA   ALA  38           HA       ALA  38  -7.613   0.732  -2.571
  343   1HB   ALA  38          1HB       ALA  38  -5.779   2.354  -3.541
  344   2HB   ALA  38          2HB       ALA  38  -7.066   2.983  -2.512
  345   3HB   ALA  38          3HB       ALA  38  -7.170   3.161  -4.263
  346    H    LYS  39           H        LYS  39  -8.355   1.758  -5.909
  347    HA   LYS  39           HA       LYS  39 -11.012   2.683  -5.290
  348   1HB   LYS  39          2HB       LYS  39  -9.916   3.440  -7.313
  349   2HB   LYS  39          1HB       LYS  39  -9.740   1.782  -7.886
  350   1HG   LYS  39          2HG       LYS  39 -12.482   2.802  -7.234
  351   2HG   LYS  39          1HG       LYS  39 -11.736   3.273  -8.762
  352   1HD   LYS  39          2HD       LYS  39 -11.215   0.565  -8.658
  353   2HD   LYS  39          1HD       LYS  39 -12.821   0.673  -7.938
  354   1HE   LYS  39          2HE       LYS  39 -12.990   0.396 -10.377
  355   2HE   LYS  39          1HE       LYS  39 -13.603   1.977  -9.892
  356   1HZ   LYS  39          1HZ       LYS  39 -10.768   1.733 -10.594
  357   2HZ   LYS  39          2HZ       LYS  39 -11.822   3.052 -10.789
  358   3HZ   LYS  39          3HZ       LYS  39 -11.907   1.728 -11.851
  359    H    ASP  40           H        ASP  40  -9.889  -0.343  -6.852
  360    HA   ASP  40           HA       ASP  40 -12.460  -1.535  -7.068
  361   1HB   ASP  40          2HB       ASP  40  -9.664  -2.669  -6.888
  362   2HB   ASP  40          1HB       ASP  40 -11.074  -3.719  -7.042
  363    H    VAL  41           H        VAL  41 -10.069  -1.612  -4.437
  364    HA   VAL  41           HA       VAL  41 -11.491  -3.513  -2.814
  365    HB   VAL  41           HB       VAL  41  -9.543  -1.335  -1.995
  366   1HG1  VAL  41          1HG1      VAL  41 -10.493  -2.007   0.022
  367   2HG1  VAL  41          2HG1      VAL  41  -9.177  -3.171  -0.134
  368   3HG1  VAL  41          3HG1      VAL  41 -10.822  -3.639  -0.561
  369   1HG2  VAL  41          1HG2      VAL  41  -7.812  -2.806  -2.444
  370   2HG2  VAL  41          2HG2      VAL  41  -8.943  -3.291  -3.706
  371   3HG2  VAL  41          3HG2      VAL  41  -8.824  -4.234  -2.220
  372    H    ALA  42           H        ALA  42 -11.457   0.033  -2.956
  373    HA   ALA  42           HA       ALA  42 -13.027   0.693  -0.758
  374   1HB   ALA  42          1HB       ALA  42 -12.059   2.152  -2.752
  375   2HB   ALA  42          2HB       ALA  42 -13.437   2.722  -1.814
  376   3HB   ALA  42          3HB       ALA  42 -13.694   1.970  -3.389
  377    H    GLU  43           H        GLU  43 -14.188  -0.328  -3.974
  378    HA   GLU  43           HA       GLU  43 -16.962  -0.299  -3.471
  379   1HB   GLU  43          2HB       GLU  43 -15.949  -0.773  -5.692
  380   2HB   GLU  43          1HB       GLU  43 -15.400  -2.337  -5.095
  381   1HG   GLU  43          2HG       GLU  43 -17.721  -3.027  -4.695
  382   2HG   GLU  43          1HG       GLU  43 -18.294  -1.443  -5.217
  383    H    ILE  44           H        ILE  44 -14.806  -3.152  -3.220
  384    HA   ILE  44           HA       ILE  44 -16.573  -4.917  -1.964
  385    HB   ILE  44           HB       ILE  44 -13.663  -4.628  -1.199
  386   1HG1  ILE  44          2HG1      ILE  44 -13.712  -4.633  -3.610
  387   2HG1  ILE  44          1HG1      ILE  44 -13.265  -6.258  -3.091
  388   1HG2  ILE  44          1HG2      ILE  44 -13.766  -6.938  -0.656
  389   2HG2  ILE  44          2HG2      ILE  44 -15.315  -7.142  -1.477
  390   3HG2  ILE  44          3HG2      ILE  44 -15.229  -6.234   0.034
  391   1HD1  ILE  44          1HD1      ILE  44 -15.790  -6.786  -3.233
  392   2HD1  ILE  44          2HD1      ILE  44 -14.905  -6.623  -4.750
  393   3HD1  ILE  44          3HD1      ILE  44 -15.915  -5.298  -4.171
  394    H    LYS  45           H        LYS  45 -14.655  -2.308  -0.510
  395    HA   LYS  45           HA       LYS  45 -15.130  -2.930   2.227
  396   1HB   LYS  45          2HB       LYS  45 -14.619  -0.315   0.786
  397   2HB   LYS  45          1HB       LYS  45 -14.841  -0.384   2.534
  398   1HG   LYS  45          2HG       LYS  45 -12.892  -2.289   1.301
  399   2HG   LYS  45          1HG       LYS  45 -12.415  -0.597   1.443
  400   1HD   LYS  45          2HD       LYS  45 -13.154  -0.738   3.890
  401   2HD   LYS  45          1HD       LYS  45 -13.225  -2.486   3.665
  402   1HE   LYS  45          2HE       LYS  45 -11.045  -2.044   4.533
  403   2HE   LYS  45          1HE       LYS  45 -10.816  -2.329   2.808
  404   1HZ   LYS  45          1HZ       LYS  45 -11.380   0.391   3.212
  405   2HZ   LYS  45          2HZ       LYS  45  -9.955  -0.315   2.613
  406   3HZ   LYS  45          3HZ       LYS  45 -10.143  -0.057   4.282
  407    H    ASN  46           H        ASN  46 -16.981  -0.906  -0.044
  408    HA   ASN  46           HA       ASN  46 -19.015  -0.092   1.784
  409   1HB   ASN  46          2HB       ASN  46 -18.659   0.922  -0.456
  410   2HB   ASN  46          1HB       ASN  46 -19.216  -0.573  -1.206
  411   1HD2  ASN  46          1HD2      ASN  46 -21.282  -0.156  -1.999
  412   2HD2  ASN  46          2HD2      ASN  46 -22.522   0.604  -1.124
  413    H    GLN  47           H        GLN  47 -18.680  -2.943  -0.295
  414    HA   GLN  47           HA       GLN  47 -21.299  -4.006   0.342
  415   1HB   GLN  47          2HB       GLN  47 -20.776  -5.548  -1.231
  416   2HB   GLN  47          1HB       GLN  47 -19.302  -4.619  -1.498
  417   1HG   GLN  47          2HG       GLN  47 -18.210  -5.971   0.324
  418   2HG   GLN  47          1HG       GLN  47 -19.652  -6.984   0.358
  419   1HE2  GLN  47          1HE2      GLN  47 -19.270  -5.922  -2.805
  420   2HE2  GLN  47          2HE2      GLN  47 -18.424  -7.254  -3.431
  421    H    LEU  48           H        LEU  48 -18.406  -3.743   2.093
  422    HA   LEU  48           HA       LEU  48 -18.992  -6.104   3.801
  423   1HB   LEU  48          2HB       LEU  48 -16.682  -4.152   3.652
  424   2HB   LEU  48          1HB       LEU  48 -16.894  -5.217   5.040
  425    HG   LEU  48           HG       LEU  48 -16.960  -6.383   2.272
  426   1HD1  LEU  48          1HD1      LEU  48 -14.551  -5.431   3.819
  427   2HD1  LEU  48          2HD1      LEU  48 -14.917  -5.206   2.109
  428   3HD1  LEU  48          3HD1      LEU  48 -14.429  -6.793   2.705
  429   1HD2  LEU  48          1HD2      LEU  48 -17.477  -7.616   4.501
  430   2HD2  LEU  48          2HD2      LEU  48 -15.742  -7.506   4.799
  431   3HD2  LEU  48          3HD2      LEU  48 -16.340  -8.382   3.390
  432    H    GLY  49           H        GLY  49 -19.888  -2.902   3.543
  433   1HA   GLY  49          2HA       GLY  49 -20.955  -1.411   4.997
  434   2HA   GLY  49          1HA       GLY  49 -21.383  -2.834   5.940
  435    H    ILE  50           H        ILE  50 -18.360  -0.970   5.300
  436    HA   ILE  50           HA       ILE  50 -18.116  -0.559   8.223
  437    HB   ILE  50           HB       ILE  50 -15.913  -1.448   8.409
  438   1HG1  ILE  50          2HG1      ILE  50 -14.947  -0.726   6.314
  439   2HG1  ILE  50          1HG1      ILE  50 -14.774  -2.478   6.404
  440   1HG2  ILE  50          1HG2      ILE  50 -17.490  -3.391   6.700
  441   2HG2  ILE  50          2HG2      ILE  50 -17.796  -3.095   8.413
  442   3HG2  ILE  50          3HG2      ILE  50 -16.261  -3.797   7.900
  443   1HD1  ILE  50          1HD1      ILE  50 -16.676  -0.853   4.728
  444   2HD1  ILE  50          2HD1      ILE  50 -17.058  -2.527   5.135
  445   3HD1  ILE  50          3HD1      ILE  50 -15.594  -2.153   4.226
  446    HA   PRO  51           HA       PRO  51 -16.478   3.381   7.190
  447   1HB   PRO  51          2HB       PRO  51 -14.202   2.840   9.049
  448   2HB   PRO  51          1HB       PRO  51 -15.378   4.172   9.059
  449   1HG   PRO  51          2HG       PRO  51 -15.599   2.263  10.836
  450   2HG   PRO  51          1HG       PRO  51 -17.051   2.846   9.997
  451   1HD   PRO  51          2HD       PRO  51 -15.444   0.351   9.429
  452   2HD   PRO  51          1HD       PRO  51 -17.204   0.522   9.597
  453    H    ILE  52           H        ILE  52 -15.112   4.292   5.689
  454    HA   ILE  52           HA       ILE  52 -13.367   2.630   4.131
  455    HB   ILE  52           HB       ILE  52 -13.459   5.663   4.278
  456   1HG1  ILE  52          2HG1      ILE  52 -14.986   3.754   2.481
  457   2HG1  ILE  52          1HG1      ILE  52 -15.682   4.613   3.855
  458   1HG2  ILE  52          1HG2      ILE  52 -12.576   3.788   2.059
  459   2HG2  ILE  52          2HG2      ILE  52 -11.487   4.708   3.100
  460   3HG2  ILE  52          3HG2      ILE  52 -12.571   5.552   1.994
  461   1HD1  ILE  52          1HD1      ILE  52 -15.269   6.752   2.820
  462   2HD1  ILE  52          2HD1      ILE  52 -16.066   5.735   1.620
  463   3HD1  ILE  52          3HD1      ILE  52 -14.325   6.005   1.532
  464    H    ASN  53           H        ASN  53 -12.748   5.107   6.617
  465    HA   ASN  53           HA       ASN  53  -9.876   4.816   6.448
  466   1HB   ASN  53          2HB       ASN  53 -11.323   6.777   7.475
  467   2HB   ASN  53          1HB       ASN  53 -11.242   5.792   8.939
  468   1HD2  ASN  53          1HD2      ASN  53  -8.724   4.739   8.970
  469   2HD2  ASN  53          2HD2      ASN  53  -7.534   5.955   8.920
  470    H    ASP  54           H        ASP  54  -8.583   3.355   7.470
  471    HA   ASP  54           HA       ASP  54  -9.635   1.828   9.765
  472   1HB   ASP  54          2HB       ASP  54 -10.296   0.658   7.597
  473   2HB   ASP  54          1HB       ASP  54  -8.576   0.377   7.343
  474    HA   PRO  55           HA       PRO  55  -5.152   3.100  10.109
  475   1HB   PRO  55          2HB       PRO  55  -5.371   3.043  12.897
  476   2HB   PRO  55          1HB       PRO  55  -5.591   4.490  11.893
  477   1HG   PRO  55          2HG       PRO  55  -7.644   2.637  13.018
  478   2HG   PRO  55          1HG       PRO  55  -7.658   4.405  12.909
  479   1HD   PRO  55          2HD       PRO  55  -9.106   2.993  11.193
  480   2HD   PRO  55          1HD       PRO  55  -8.175   4.391  10.607
  481    H    GLU  56           H        GLU  56  -6.786   0.909  12.422
  482    HA   GLU  56           HA       GLU  56  -4.928  -0.842  13.242
  483   1HB   GLU  56          2HB       GLU  56  -7.497  -1.602  11.821
  484   2HB   GLU  56          1HB       GLU  56  -6.519  -2.741  12.748
  485   1HG   GLU  56          2HG       GLU  56  -6.796  -1.383  14.769
  486   2HG   GLU  56          1HG       GLU  56  -7.703  -0.174  13.858
  487    H    ARG  57           H        ARG  57  -6.399  -1.347  10.020
  488    HA   ARG  57           HA       ARG  57  -4.502  -3.170   9.011
  489   1HB   ARG  57          2HB       ARG  57  -6.728  -1.921   8.007
  490   2HB   ARG  57          1HB       ARG  57  -5.450  -1.144   7.078
  491   1HG   ARG  57          2HG       ARG  57  -5.520  -4.136   7.364
  492   2HG   ARG  57          1HG       ARG  57  -6.482  -3.329   6.129
  493   1HD   ARG  57          2HD       ARG  57  -3.755  -2.327   6.196
  494   2HD   ARG  57          1HD       ARG  57  -3.817  -4.067   5.918
  495    HE   ARG  57           HE       ARG  57  -5.726  -3.091   4.174
  496   1HH1  ARG  57          1HH2      ARG  57  -2.406  -2.406   4.853
  497   2HH1  ARG  57          2HH2      ARG  57  -1.973  -2.174   3.181
  498   1HH2  ARG  57          1HH1      ARG  57  -5.169  -2.778   1.992
  499   2HH2  ARG  57          2HH1      ARG  57  -3.533  -2.385   1.576
  500    H    GLU  58           H        GLU  58  -4.468   0.394   8.889
  501    HA   GLU  58           HA       GLU  58  -2.033   0.698   7.454
  502   1HB   GLU  58          2HB       GLU  58  -3.055   2.490   9.684
  503   2HB   GLU  58          1HB       GLU  58  -1.971   2.950   8.371
  504   1HG   GLU  58          2HG       GLU  58  -4.788   1.915   7.933
  505   2HG   GLU  58          1HG       GLU  58  -4.377   3.630   8.006
  506    H    LYS  59           H        LYS  59  -2.662   0.251  10.933
  507    HA   LYS  59           HA       LYS  59   0.027   0.591  11.841
  508   1HB   LYS  59          2HB       LYS  59  -2.471  -0.611  12.894
  509   2HB   LYS  59          1HB       LYS  59  -0.988  -1.289  13.564
  510   1HG   LYS  59          2HG       LYS  59  -1.703   0.598  14.944
  511   2HG   LYS  59          1HG       LYS  59  -0.216   1.029  14.099
  512   1HD   LYS  59          2HD       LYS  59  -1.670   2.092  12.309
  513   2HD   LYS  59          1HD       LYS  59  -3.039   1.861  13.394
  514   1HE   LYS  59          2HE       LYS  59  -2.152   4.114  13.696
  515   2HE   LYS  59          1HE       LYS  59  -1.826   3.163  15.145
  516   1HZ   LYS  59          1HZ       LYS  59   0.235   2.982  13.146
  517   2HZ   LYS  59          2HZ       LYS  59   0.362   3.276  14.815
  518   3HZ   LYS  59          3HZ       LYS  59   0.020   4.553  13.748
  519    H    TYR  60           H        TYR  60  -1.767  -2.299  10.791
  520    HA   TYR  60           HA       TYR  60   0.210  -4.262  11.180
  521   1HB   TYR  60          2HB       TYR  60  -2.041  -4.864  10.490
  522   2HB   TYR  60          1HB       TYR  60  -1.854  -3.986   8.974
  523    HD1  TYR  60           1HD      TYR  60  -0.619  -4.924   7.118
  524    HD2  TYR  60           2HD      TYR  60  -0.792  -6.970  10.893
  525    HE1  TYR  60           1HE      TYR  60   0.352  -6.948   6.064
  526    HE2  TYR  60           2HE      TYR  60   0.173  -8.996   9.835
  527    HH   TYR  60           HH       TYR  60   1.789  -9.281   7.538
  528    H    ILE  61           H        ILE  61  -0.229  -2.007   8.470
  529    HA   ILE  61           HA       ILE  61   1.882  -3.011   6.815
  530    HB   ILE  61           HB       ILE  61   0.694  -0.237   7.099
  531   1HG1  ILE  61          2HG1      ILE  61  -0.664  -2.277   6.216
  532   2HG1  ILE  61          1HG1      ILE  61  -0.669  -0.794   5.263
  533   1HG2  ILE  61          1HG2      ILE  61   2.864   0.105   6.177
  534   2HG2  ILE  61          2HG2      ILE  61   1.765   0.086   4.797
  535   3HG2  ILE  61          3HG2      ILE  61   2.740  -1.336   5.168
  536   1HD1  ILE  61          1HD1      ILE  61   1.488  -2.771   4.694
  537   2HD1  ILE  61          2HD1      ILE  61   0.627  -1.703   3.586
  538   3HD1  ILE  61          3HD1      ILE  61  -0.142  -3.181   4.162
  539    H    TYR  62           H        TYR  62   1.833  -0.519   9.369
  540    HA   TYR  62           HA       TYR  62   4.507   0.381   9.128
  541   1HB   TYR  62          2HB       TYR  62   2.449   0.342  11.287
  542   2HB   TYR  62          1HB       TYR  62   4.119   0.538  11.819
  543    HD1  TYR  62           1HD      TYR  62   4.755   2.767  12.112
  544    HD2  TYR  62           2HD      TYR  62   2.045   1.766   8.930
  545    HE1  TYR  62           1HE      TYR  62   4.704   5.145  11.403
  546    HE2  TYR  62           2HE      TYR  62   1.992   4.143   8.227
  547    HH   TYR  62           HH       TYR  62   2.426   6.451   9.515
  548    H    ASP  63           H        ASP  63   3.181  -2.290  11.086
  549    HA   ASP  63           HA       ASP  63   5.734  -3.150  12.102
  550   1HB   ASP  63          2HB       ASP  63   3.392  -3.699  13.019
  551   2HB   ASP  63          1HB       ASP  63   3.297  -4.904  11.736
  552    H    ARG  64           H        ARG  64   3.828  -3.952   9.239
  553    HA   ARG  64           HA       ARG  64   5.414  -6.219   8.406
  554   1HB   ARG  64          2HB       ARG  64   3.076  -5.693   7.583
  555   2HB   ARG  64          1HB       ARG  64   3.764  -4.373   6.639
  556   1HG   ARG  64          2HG       ARG  64   3.806  -6.063   5.049
  557   2HG   ARG  64          1HG       ARG  64   5.388  -6.299   5.784
  558   1HD   ARG  64          2HD       ARG  64   2.975  -7.750   6.844
  559   2HD   ARG  64          1HD       ARG  64   3.889  -8.396   5.483
  560    HE   ARG  64           HE       ARG  64   5.720  -7.768   7.579
  561   1HH1  ARG  64          1HH2      ARG  64   3.047  -9.717   7.045
  562   2HH1  ARG  64          2HH2      ARG  64   3.471 -10.901   8.225
  563   1HH2  ARG  64          1HH1      ARG  64   6.403  -9.278   9.131
  564   2HH2  ARG  64          2HH1      ARG  64   5.392 -10.660   9.433
  565    H    ILE  65           H        ILE  65   5.389  -2.791   7.394
  566    HA   ILE  65           HA       ILE  65   7.553  -2.995   5.545
  567    HB   ILE  65           HB       ILE  65   6.650  -0.634   7.223
  568   1HG1  ILE  65          2HG1      ILE  65   4.909  -1.519   5.707
  569   2HG1  ILE  65          1HG1      ILE  65   5.482   0.056   5.162
  570   1HG2  ILE  65          1HG2      ILE  65   8.850  -0.130   6.490
  571   2HG2  ILE  65          2HG2      ILE  65   7.787   0.650   5.320
  572   3HG2  ILE  65          3HG2      ILE  65   8.580  -0.871   4.912
  573   1HD1  ILE  65          1HD1      ILE  65   5.485  -1.190   3.180
  574   2HD1  ILE  65          2HD1      ILE  65   6.032  -2.662   3.986
  575   3HD1  ILE  65          3HD1      ILE  65   7.159  -1.332   3.716
  576    H    ARG  66           H        ARG  66   7.528  -2.250   9.041
  577    HA   ARG  66           HA       ARG  66  10.278  -1.628   9.335
  578   1HB   ARG  66          2HB       ARG  66   8.577  -1.355  11.153
  579   2HB   ARG  66          1HB       ARG  66   8.521  -3.103  11.332
  580   1HG   ARG  66          2HG       ARG  66  10.890  -3.145  11.941
  581   2HG   ARG  66          1HG       ARG  66  11.001  -1.402  11.708
  582   1HD   ARG  66          2HD       ARG  66   9.270  -1.101  13.475
  583   2HD   ARG  66          1HD       ARG  66   9.256  -2.836  13.735
  584    HE   ARG  66           HE       ARG  66  11.942  -1.821  13.993
  585   1HH1  ARG  66          1HH2      ARG  66   8.930  -1.644  15.508
  586   2HH1  ARG  66          2HH2      ARG  66   9.581  -1.167  17.056
  587   1HH2  ARG  66          1HH1      ARG  66  12.862  -1.214  15.952
  588   2HH2  ARG  66          2HH1      ARG  66  11.815  -0.906  17.302
  589    H    LYS  67           H        LYS  67   8.628  -4.788   9.376
  590    HA   LYS  67           HA       LYS  67  10.882  -6.374  10.102
  591   1HB   LYS  67          2HB       LYS  67   8.546  -7.215  10.074
  592   2HB   LYS  67          1HB       LYS  67   8.546  -7.131   8.314
  593   1HG   LYS  67          2HG       LYS  67  10.380  -8.768   8.216
  594   2HG   LYS  67          1HG       LYS  67  10.437  -8.827   9.978
  595   1HD   LYS  67          2HD       LYS  67   8.095  -9.643  10.021
  596   2HD   LYS  67          1HD       LYS  67   8.061  -9.612   8.259
  597   1HE   LYS  67          2HE       LYS  67   9.840 -11.281   8.152
  598   2HE   LYS  67          1HE       LYS  67  10.009 -11.254   9.907
  599   1HZ   LYS  67          1HZ       LYS  67   7.915 -12.450   8.256
  600   2HZ   LYS  67          2HZ       LYS  67   7.444 -11.787   9.748
  601   3HZ   LYS  67          3HZ       LYS  67   8.617 -13.016   9.693
  602    H    LEU  68           H        LEU  68   9.625  -5.546   6.847
  603    HA   LEU  68           HA       LEU  68  11.776  -6.850   5.434
  604   1HB   LEU  68          2HB       LEU  68   9.975  -4.557   4.589
  605   2HB   LEU  68          1HB       LEU  68  11.039  -5.447   3.504
  606    HG   LEU  68           HG       LEU  68   8.814  -6.714   5.133
  607   1HD1  LEU  68          1HD1      LEU  68   7.663  -6.874   2.915
  608   2HD1  LEU  68          2HD1      LEU  68   8.944  -5.883   2.218
  609   3HD1  LEU  68          3HD1      LEU  68   7.881  -5.207   3.450
  610   1HD2  LEU  68          1HD2      LEU  68   9.251  -8.498   3.254
  611   2HD2  LEU  68          2HD2      LEU  68  10.335  -8.434   4.645
  612   3HD2  LEU  68          3HD2      LEU  68  10.821  -7.703   3.115
  613    H    CYS  69           H        CYS  69  11.362  -3.663   6.863
  614    HA   CYS  69           HA       CYS  69  13.499  -2.311   5.546
  615   1HB   CYS  69          2HB       CYS  69  13.083  -0.605   7.026
  616   2HB   CYS  69          1HB       CYS  69  11.620  -1.543   7.329
  617    HG   CYS  69           HG       CYS  69  12.511  -1.447   9.675
  618    H    LYS  70           H        LYS  70  13.452  -4.214   8.558
  619    HA   LYS  70           HA       LYS  70  16.251  -3.861   9.138
  620   1HB   LYS  70          2HB       LYS  70  14.436  -6.161   9.921
  621   2HB   LYS  70          1HB       LYS  70  15.963  -5.730  10.689
  622   1HG   LYS  70          2HG       LYS  70  13.472  -3.994  10.600
  623   2HG   LYS  70          1HG       LYS  70  14.063  -4.882  12.004
  624   1HD   LYS  70          2HD       LYS  70  16.266  -3.565  11.659
  625   2HD   LYS  70          1HD       LYS  70  15.300  -2.495  10.640
  626   1HE   LYS  70          2HE       LYS  70  13.746  -2.092  12.503
  627   2HE   LYS  70          1HE       LYS  70  14.668  -3.195  13.525
  628   1HZ   LYS  70          1HZ       LYS  70  15.310  -0.935  13.970
  629   2HZ   LYS  70          2HZ       LYS  70  15.656  -0.664  12.329
  630   3HZ   LYS  70          3HZ       LYS  70  16.604  -1.747  13.231
  631    H    GLU  71           H        GLU  71  14.432  -6.130   7.153
  632    HA   GLU  71           HA       GLU  71  16.392  -8.155   6.833
  633   1HB   GLU  71          2HB       GLU  71  14.244  -7.148   4.957
  634   2HB   GLU  71          1HB       GLU  71  15.244  -8.556   4.604
  635   1HG   GLU  71          2HG       GLU  71  13.588  -8.257   7.121
  636   2HG   GLU  71          1HG       GLU  71  13.043  -9.114   5.679
  637    H    HIS  72           H        HIS  72  15.667  -5.635   4.380
  638    HA   HIS  72           HA       HIS  72  18.306  -6.084   3.179
  639   1HB   HIS  72          2HB       HIS  72  17.495  -4.227   1.613
  640   2HB   HIS  72          1HB       HIS  72  16.557  -5.719   1.614
  641    HD1  HIS  72           1HD      HIS  72  16.452  -2.171   2.934
  642    HD2  HIS  72           2HD      HIS  72  13.908  -5.450   2.513
  643    HE1  HIS  72           1HE      HIS  72  14.123  -1.353   3.516
  644    HE2  HIS  72           2HE      HIS  72  12.568  -3.341   3.263
  645    H    ASN  73           H        ASN  73  17.578  -4.561   5.886
  646    HA   ASN  73           HA       ASN  73  18.279  -2.518   6.918
  647   1HB   ASN  73          2HB       ASN  73  20.114  -4.263   7.091
  648   2HB   ASN  73          1HB       ASN  73  20.885  -3.468   5.711
  649   1HD2  ASN  73          1HD2      ASN  73  20.211  -3.204   9.153
  650   2HD2  ASN  73          2HD2      ASN  73  21.076  -1.760   9.414
  651    H    VAL  74           H        VAL  74  17.189  -1.785   4.446
  652    HA   VAL  74           HA       VAL  74  19.136  -0.209   2.948
  653    HB   VAL  74           HB       VAL  74  16.130  -0.445   2.896
  654   1HG1  VAL  74          1HG1      VAL  74  17.920   1.537   1.497
  655   2HG1  VAL  74          2HG1      VAL  74  16.414   1.839   2.362
  656   3HG1  VAL  74          3HG1      VAL  74  16.383   1.037   0.792
  657   1HG2  VAL  74          1HG2      VAL  74  17.925  -2.087   1.839
  658   2HG2  VAL  74          2HG2      VAL  74  17.985  -0.854   0.579
  659   3HG2  VAL  74          3HG2      VAL  74  16.462  -1.665   0.948
  660    H    ASP  75           H        ASP  75  16.640   0.444   5.394
  661    HA   ASP  75           HA       ASP  75  18.036   2.780   6.355
  662   1HB   ASP  75          2HB       ASP  75  16.366   4.480   5.713
  663   2HB   ASP  75          1HB       ASP  75  17.125   3.764   4.290
  664    H    GLU  76           H        GLU  76  15.855   4.167   7.475
  665    HA   GLU  76           HA       GLU  76  14.394   2.075   9.023
  666   1HB   GLU  76          2HB       GLU  76  16.113   4.310  10.102
  667   2HB   GLU  76          1HB       GLU  76  14.813   3.608  11.065
  668   1HG   GLU  76          2HG       GLU  76  16.783   2.380  11.642
  669   2HG   GLU  76          1HG       GLU  76  15.855   1.331  10.568
  670    H    ASN  77           H        ASN  77  14.434   5.430   9.955
  671    HA   ASN  77           HA       ASN  77  11.594   5.675   9.808
  672   1HB   ASN  77          2HB       ASN  77  12.049   8.136  10.131
  673   2HB   ASN  77          1HB       ASN  77  12.812   7.086  11.324
  674   1HD2  ASN  77          1HD2      ASN  77  13.428   9.569   9.050
  675   2HD2  ASN  77          2HD2      ASN  77  15.122   9.447   9.023
  676    H    ILE  78           H        ILE  78  14.131   6.930   7.610
  677    HA   ILE  78           HA       ILE  78  12.551   8.425   5.870
  678    HB   ILE  78           HB       ILE  78  14.653   6.499   4.862
  679   1HG1  ILE  78          2HG1      ILE  78  15.979   8.845   5.386
  680   2HG1  ILE  78          1HG1      ILE  78  14.880   8.749   6.762
  681   1HG2  ILE  78          1HG2      ILE  78  13.323   7.906   3.250
  682   2HG2  ILE  78          2HG2      ILE  78  15.055   8.241   3.223
  683   3HG2  ILE  78          3HG2      ILE  78  13.957   9.339   4.060
  684   1HD1  ILE  78          1HD1      ILE  78  15.661   6.302   6.986
  685   2HD1  ILE  78          2HD1      ILE  78  16.807   7.557   7.463
  686   3HD1  ILE  78          3HD1      ILE  78  16.977   6.754   5.902
  687    H    GLY  79           H        GLY  79  12.927   4.891   5.923
  688   1HA   GLY  79          2HA       GLY  79  11.337   4.430   3.562
  689   2HA   GLY  79          1HA       GLY  79  11.748   3.216   4.773
  690    H    ILE  80           H        ILE  80  10.546   3.981   7.035
  691    HA   ILE  80           HA       ILE  80   7.788   3.374   6.572
  692    HB   ILE  80           HB       ILE  80   9.194   4.508   9.001
  693   1HG1  ILE  80          2HG1      ILE  80   8.116   1.723   8.488
  694   2HG1  ILE  80          1HG1      ILE  80   9.786   2.181   8.151
  695   1HG2  ILE  80          1HG2      ILE  80   7.090   3.596  10.164
  696   2HG2  ILE  80          2HG2      ILE  80   6.345   3.600   8.565
  697   3HG2  ILE  80          3HG2      ILE  80   6.912   5.111   9.280
  698   1HD1  ILE  80          1HD1      ILE  80   9.275   1.120  10.459
  699   2HD1  ILE  80          2HD1      ILE  80   8.551   2.678  10.860
  700   3HD1  ILE  80          3HD1      ILE  80  10.260   2.583  10.433
  701    H    LYS  81           H        LYS  81   9.411   6.459   7.332
  702    HA   LYS  81           HA       LYS  81   7.109   8.086   7.583
  703   1HB   LYS  81          2HB       LYS  81   9.582   8.704   7.942
  704   2HB   LYS  81          1HB       LYS  81   9.626   9.014   6.206
  705   1HG   LYS  81          2HG       LYS  81   9.047  11.124   6.990
  706   2HG   LYS  81          1HG       LYS  81   7.448  10.427   6.741
  707   1HD   LYS  81          2HD       LYS  81   7.329   9.789   9.105
  708   2HD   LYS  81          1HD       LYS  81   8.950  10.427   9.377
  709   1HE   LYS  81          2HE       LYS  81   8.163  12.682   8.708
  710   2HE   LYS  81          1HE       LYS  81   6.539  12.035   8.474
  711   1HZ   LYS  81          1HZ       LYS  81   6.850  13.086  10.663
  712   2HZ   LYS  81          2HZ       LYS  81   8.042  11.934  11.035
  713   3HZ   LYS  81          3HZ       LYS  81   6.434  11.446  10.784
  714    H    ILE  82           H        ILE  82   8.846   7.073   4.644
  715    HA   ILE  82           HA       ILE  82   7.356   8.722   2.821
  716    HB   ILE  82           HB       ILE  82   8.854   6.123   2.439
  717   1HG1  ILE  82          2HG1      ILE  82   9.953   8.420   3.122
  718   2HG1  ILE  82          1HG1      ILE  82  10.683   7.451   1.841
  719   1HG2  ILE  82          1HG2      ILE  82   8.822   6.972  -0.018
  720   2HG2  ILE  82          2HG2      ILE  82   7.439   7.941   0.491
  721   3HG2  ILE  82          3HG2      ILE  82   7.372   6.183   0.602
  722   1HD1  ILE  82          1HD1      ILE  82   9.826   8.833   0.138
  723   2HD1  ILE  82          2HD1      ILE  82  10.284   9.987   1.392
  724   3HD1  ILE  82          3HD1      ILE  82   8.594   9.524   1.194
  725    H    PHE  83           H        PHE  83   6.887   5.347   3.894
  726    HA   PHE  83           HA       PHE  83   4.763   4.647   2.178
  727   1HB   PHE  83          2HB       PHE  83   5.659   3.797   4.893
  728   2HB   PHE  83          1HB       PHE  83   4.040   3.310   4.391
  729    HD1  PHE  83           1HD      PHE  83   7.555   2.634   4.111
  730    HD2  PHE  83           2HD      PHE  83   3.795   2.173   2.083
  731    HE1  PHE  83           1HE      PHE  83   8.528   0.825   2.719
  732    HE2  PHE  83           2HE      PHE  83   4.770   0.365   0.691
  733    HZ   PHE  83           HZ       PHE  83   7.136  -0.308   1.009
  734    H    GLN  84           H        GLN  84   4.576   6.196   5.394
  735    HA   GLN  84           HA       GLN  84   1.822   6.421   5.709
  736   1HB   GLN  84          2HB       GLN  84   3.524   7.248   7.329
  737   2HB   GLN  84          1HB       GLN  84   3.861   8.604   6.254
  738   1HG   GLN  84          2HG       GLN  84   2.308   9.313   8.002
  739   2HG   GLN  84          1HG       GLN  84   1.470   9.299   6.448
  740   1HE2  GLN  84          1HE2      GLN  84  -0.656   8.792   7.232
  741   2HE2  GLN  84          2HE2      GLN  84  -1.023   7.330   8.020
  742    H    ARG  85           H        ARG  85   3.927   8.676   3.897
  743    HA   ARG  85           HA       ARG  85   1.921  10.414   2.938
  744   1HB   ARG  85          2HB       ARG  85   4.504   9.484   1.643
  745   2HB   ARG  85          1HB       ARG  85   3.502  10.769   0.978
  746   1HG   ARG  85          2HG       ARG  85   3.762  12.061   3.075
  747   2HG   ARG  85          1HG       ARG  85   4.761  10.771   3.749
  748   1HD   ARG  85          2HD       ARG  85   6.387  11.120   1.877
  749   2HD   ARG  85          1HD       ARG  85   5.378  12.404   1.264
  750    HE   ARG  85           HE       ARG  85   7.284  12.594   3.446
  751   1HH1  ARG  85          1HH2      ARG  85   4.152  13.577   2.356
  752   2HH1  ARG  85          2HH2      ARG  85   4.169  15.084   3.216
  753   1HH2  ARG  85          1HH1      ARG  85   7.268  14.563   4.667
  754   2HH2  ARG  85          2HH1      ARG  85   5.921  15.639   4.498
  755    H    LEU  86           H        LEU  86   3.055   7.301   1.626
  756    HA   LEU  86           HA       LEU  86   1.424   7.292  -0.727
  757   1HB   LEU  86          2HB       LEU  86   3.346   5.721  -0.207
  758   2HB   LEU  86          1HB       LEU  86   2.259   4.861   0.880
  759    HG   LEU  86           HG       LEU  86   0.673   4.824  -1.223
  760   1HD1  LEU  86          1HD1      LEU  86   3.347   4.820  -2.621
  761   2HD1  LEU  86          2HD1      LEU  86   2.395   6.296  -2.467
  762   3HD1  LEU  86          3HD1      LEU  86   1.734   4.909  -3.331
  763   1HD2  LEU  86          1HD2      LEU  86   1.912   2.707  -1.985
  764   2HD2  LEU  86          2HD2      LEU  86   1.437   2.775  -0.288
  765   3HD2  LEU  86          3HD2      LEU  86   3.108   3.097  -0.748
  766    H    ILE  87           H        ILE  87   0.820   6.150   2.590
  767    HA   ILE  87           HA       ILE  87  -1.701   4.905   2.085
  768    HB   ILE  87           HB       ILE  87  -0.836   6.324   4.621
  769   1HG1  ILE  87          2HG1      ILE  87   0.915   4.774   3.970
  770   2HG1  ILE  87          1HG1      ILE  87  -0.008   4.041   5.282
  771   1HG2  ILE  87          1HG2      ILE  87  -2.678   3.954   4.213
  772   2HG2  ILE  87          2HG2      ILE  87  -3.238   5.613   4.430
  773   3HG2  ILE  87          3HG2      ILE  87  -2.362   4.802   5.727
  774   1HD1  ILE  87          1HD1      ILE  87  -0.024   3.359   2.351
  775   2HD1  ILE  87          2HD1      ILE  87  -1.423   2.980   3.355
  776   3HD1  ILE  87          3HD1      ILE  87   0.150   2.282   3.737
  777    H    GLU  88           H        GLU  88  -0.862   8.257   2.940
  778    HA   GLU  88           HA       GLU  88  -3.431   9.314   3.359
  779   1HB   GLU  88          2HB       GLU  88  -1.042  10.564   1.967
  780   2HB   GLU  88          1HB       GLU  88  -2.463  11.465   2.491
  781   1HG   GLU  88          2HG       GLU  88  -0.711   9.811   4.335
  782   2HG   GLU  88          1HG       GLU  88  -0.590  11.560   4.144
  783    H    HIS  89           H        HIS  89  -1.678   8.981   0.262
  784    HA   HIS  89           HA       HIS  89  -3.833   9.996  -1.347
  785   1HB   HIS  89          2HB       HIS  89  -2.378   9.703  -3.071
  786   2HB   HIS  89          1HB       HIS  89  -1.207   9.394  -1.795
  787    HD1  HIS  89           1HD      HIS  89  -3.921   7.168  -3.318
  788    HD2  HIS  89           2HD      HIS  89   0.182   7.141  -2.558
  789    HE1  HIS  89           1HE      HIS  89  -3.083   4.868  -3.978
  790    HE2  HIS  89           2HE      HIS  89  -0.589   4.842  -3.520
  791    H    ASN  90           H        ASN  90  -3.231   6.938   0.141
  792    HA   ASN  90           HA       ASN  90  -4.904   5.315  -1.579
  793   1HB   ASN  90          2HB       ASN  90  -3.116   4.649   0.259
  794   2HB   ASN  90          1HB       ASN  90  -4.505   4.718   1.342
  795   1HD2  ASN  90          1HD2      ASN  90  -3.011   2.893  -1.262
  796   2HD2  ASN  90          2HD2      ASN  90  -4.148   1.633  -1.288
  797    H    LYS  91           H        LYS  91  -5.425   6.941   1.563
  798    HA   LYS  91           HA       LYS  91  -8.262   6.302   1.650
  799   1HB   LYS  91          2HB       LYS  91  -6.562   8.313   3.166
  800   2HB   LYS  91          1HB       LYS  91  -8.271   8.032   3.498
  801   1HG   LYS  91          2HG       LYS  91  -7.791   5.655   3.972
  802   2HG   LYS  91          1HG       LYS  91  -6.082   5.936   3.646
  803   1HD   LYS  91          2HD       LYS  91  -5.951   7.524   5.503
  804   2HD   LYS  91          1HD       LYS  91  -7.680   7.349   5.804
  805   1HE   LYS  91          2HE       LYS  91  -6.442   5.957   7.383
  806   2HE   LYS  91          1HE       LYS  91  -7.319   4.920   6.258
  807   1HZ   LYS  91          1HZ       LYS  91  -4.943   5.352   5.014
  808   2HZ   LYS  91          2HZ       LYS  91  -5.359   3.960   5.896
  809   3HZ   LYS  91          3HZ       LYS  91  -4.491   5.216   6.643
  810    H    ALA  92           H        ALA  92  -6.400   8.498  -0.100
  811    HA   ALA  92           HA       ALA  92  -8.289  10.702  -0.228
  812   1HB   ALA  92          1HB       ALA  92  -6.029  10.019  -2.126
  813   2HB   ALA  92          2HB       ALA  92  -5.852  10.957  -0.644
  814   3HB   ALA  92          3HB       ALA  92  -6.839  11.578  -1.965
  815    H    LEU  93           H        LEU  93  -7.292   8.265  -2.681
  816    HA   LEU  93           HA       LEU  93  -9.532   9.018  -4.380
  817   1HB   LEU  93          2HB       LEU  93  -8.603   7.622  -5.991
  818   2HB   LEU  93          1HB       LEU  93  -7.193   8.118  -5.070
  819    HG   LEU  93           HG       LEU  93  -6.977   5.776  -5.419
  820   1HD1  LEU  93          1HD1      LEU  93  -6.555   5.130  -3.270
  821   2HD1  LEU  93          2HD1      LEU  93  -8.159   5.596  -2.708
  822   3HD1  LEU  93          3HD1      LEU  93  -6.917   6.825  -2.943
  823   1HD2  LEU  93          1HD2      LEU  93  -8.698   4.322  -5.572
  824   2HD2  LEU  93          2HD2      LEU  93  -9.716   5.761  -5.617
  825   3HD2  LEU  93          3HD2      LEU  93  -9.452   4.915  -4.092
  826    H    GLN  94           H        GLN  94  -9.185   6.906  -1.729
  827    HA   GLN  94           HA       GLN  94 -11.220   4.973  -2.478
  828   1HB   GLN  94          2HB       GLN  94  -9.680   5.695  -0.043
  829   2HB   GLN  94          1HB       GLN  94 -11.255   4.951   0.239
  830   1HG   GLN  94          2HG       GLN  94 -10.661   3.055  -1.181
  831   2HG   GLN  94          1HG       GLN  94  -9.110   3.799  -1.576
  832   1HE2  GLN  94          1HE2      GLN  94  -7.568   2.565  -0.489
  833   2HE2  GLN  94          2HE2      GLN  94  -7.653   2.136   1.160
  834    H    LYS  95           H        LYS  95 -11.234   7.720  -0.182
  835    HA   LYS  95           HA       LYS  95 -14.072   7.696   0.225
  836   1HB   LYS  95          2HB       LYS  95 -12.019   9.904   0.593
  837   2HB   LYS  95          1HB       LYS  95 -13.693  10.018   1.131
  838   1HG   LYS  95          2HG       LYS  95 -13.369   8.037   2.574
  839   2HG   LYS  95          1HG       LYS  95 -11.690   7.926   2.039
  840   1HD   LYS  95          2HD       LYS  95 -11.256  10.190   2.940
  841   2HD   LYS  95          1HD       LYS  95 -12.928  10.289   3.488
  842   1HE   LYS  95          2HE       LYS  95 -12.568   8.331   4.947
  843   2HE   LYS  95          1HE       LYS  95 -10.894   8.229   4.401
  844   1HZ   LYS  95          1HZ       LYS  95 -10.998  10.771   5.154
  845   2HZ   LYS  95          2HZ       LYS  95 -10.556   9.512   6.207
  846   3HZ   LYS  95          3HZ       LYS  95 -12.141  10.121   6.226
  847    H    GLN  96           H        GLN  96 -11.986   9.479  -2.034
  848    HA   GLN  96           HA       GLN  96 -14.109  11.131  -3.086
  849   1HB   GLN  96          2HB       GLN  96 -11.337  10.401  -4.023
  850   2HB   GLN  96          1HB       GLN  96 -12.415  11.340  -5.053
  851   1HG   GLN  96          2HG       GLN  96 -11.805  12.115  -2.190
  852   2HG   GLN  96          1HG       GLN  96 -10.862  12.703  -3.560
  853   1HE2  GLN  96          1HE2      GLN  96 -13.766  13.199  -1.746
  854   2HE2  GLN  96          2HE2      GLN  96 -14.451  14.379  -2.756
  855    H    TYR  97           H        TYR  97 -12.669   8.044  -4.074
  856    HA   TYR  97           HA       TYR  97 -14.071   7.758  -6.549
  857   1HB   TYR  97          2HB       TYR  97 -12.176   6.339  -6.083
  858   2HB   TYR  97          1HB       TYR  97 -12.933   5.721  -4.616
  859    HD1  TYR  97           1HD      TYR  97 -14.304   3.801  -4.693
  860    HD2  TYR  97           2HD      TYR  97 -13.386   5.906  -8.323
  861    HE1  TYR  97           1HE      TYR  97 -15.406   2.011  -6.011
  862    HE2  TYR  97           2HE      TYR  97 -14.485   4.116  -9.639
  863    HH   TYR  97           HH       TYR  97 -16.561   1.942  -8.408
  864    H    LEU  98           H        LEU  98 -14.819   6.438  -3.302
  865    HA   LEU  98           HA       LEU  98 -17.274   5.186  -4.070
  866   1HB   LEU  98          2HB       LEU  98 -16.336   6.242  -1.389
  867   2HB   LEU  98          1HB       LEU  98 -17.807   5.299  -1.603
  868    HG   LEU  98           HG       LEU  98 -15.033   4.349  -2.387
  869   1HD1  LEU  98          1HD1      LEU  98 -15.041   4.440  -0.013
  870   2HD1  LEU  98          2HD1      LEU  98 -15.486   2.775  -0.389
  871   3HD1  LEU  98          3HD1      LEU  98 -16.727   3.934   0.080
  872   1HD2  LEU  98          1HD2      LEU  98 -16.490   3.073  -3.688
  873   2HD2  LEU  98          2HD2      LEU  98 -17.802   3.191  -2.515
  874   3HD2  LEU  98          3HD2      LEU  98 -16.442   2.111  -2.211
  875    H    GLU  99           H        GLU  99 -16.576   8.428  -2.770
  876    HA   GLU  99           HA       GLU  99 -19.279   9.300  -2.474
  877   1HB   GLU  99          2HB       GLU  99 -17.302  10.506  -1.551
  878   2HB   GLU  99          1HB       GLU  99 -16.857  10.975  -3.192
  879   1HG   GLU  99          2HG       GLU  99 -18.983  12.174  -3.456
  880   2HG   GLU  99          1HG       GLU  99 -19.483  11.666  -1.842
  881    H    GLU 100           H        GLU 100 -17.069   9.422  -5.252
  882    HA   GLU 100           HA       GLU 100 -18.977  10.915  -6.878
  883   1HB   GLU 100          2HB       GLU 100 -17.334  10.714  -8.643
  884   2HB   GLU 100          1HB       GLU 100 -16.504  11.103  -7.139
  885   1HG   GLU 100          2HG       GLU 100 -15.870   8.774  -6.827
  886   2HG   GLU 100          1HG       GLU 100 -16.793   8.293  -8.252
  887    H    THR 101           H        THR 101 -18.516   7.595  -6.123
  888    HA   THR 101           HA       THR 101 -19.776   6.612  -8.594
  889    HB   THR 101           HB       THR 101 -19.790   4.421  -7.293
  890    HG1  THR 101           1HG      THR 101 -19.489   5.942  -5.289
  891   1HG2  THR 101          1HG2      THR 101 -17.212   4.322  -7.300
  892   2HG2  THR 101          2HG2      THR 101 -17.279   5.995  -7.854
  893   3HG2  THR 101          3HG2      THR 101 -18.010   4.713  -8.822
  894    H    LEU 102           H        LEU 102 -20.743   7.687  -5.438
  895    HA   LEU 102           HA       LEU 102 -23.449   6.495  -5.747
  896   1HB   LEU 102          2HB       LEU 102 -22.268   8.128  -3.470
  897   2HB   LEU 102          1HB       LEU 102 -23.846   7.341  -3.459
  898    HG   LEU 102           HG       LEU 102 -21.213   5.884  -3.826
  899   1HD1  LEU 102          1HD1      LEU 102 -21.611   6.943  -1.540
  900   2HD1  LEU 102          2HD1      LEU 102 -21.397   5.193  -1.537
  901   3HD1  LEU 102          3HD1      LEU 102 -23.013   5.885  -1.394
  902   1HD2  LEU 102          1HD2      LEU 102 -22.856   3.957  -3.130
  903   2HD2  LEU 102          2HD2      LEU 102 -22.862   4.527  -4.800
  904   3HD2  LEU 102          3HD2      LEU 102 -24.107   5.072  -3.676
  905    H    GLU 103           H        GLU 103 -21.757   9.393  -6.377
  906    HA   GLU 103           HA       GLU 103 -24.325  10.925  -6.591
  907   1HB   GLU 103          2HB       GLU 103 -21.465  11.867  -6.224
  908   2HB   GLU 103          1HB       GLU 103 -22.819  12.947  -6.549
  909   1HG   GLU 103          2HG       GLU 103 -23.928  12.216  -4.490
  910   2HG   GLU 103          1HG       GLU 103 -22.620  11.072  -4.172
  911    H    HIS 104           H        HIS 104 -24.790  11.879  -8.534
  912    HA   HIS 104           HA       HIS 104 -24.810  12.087 -10.878
  913   1HB   HIS 104          2HB       HIS 104 -21.822  12.470 -10.388
  914   2HB   HIS 104          1HB       HIS 104 -22.698  12.962 -11.838
  915    HD1  HIS 104           1HD      HIS 104 -24.785  14.718 -11.296
  916    HD2  HIS 104           2HD      HIS 104 -21.741  14.454  -8.453
  917    HE1  HIS 104           1HE      HIS 104 -24.900  16.845  -9.921
  918    HE2  HIS 104           2HE      HIS 104 -23.052  16.695  -8.191
  919    H2   TSA 501           1H2      TSA 501  -4.422  -0.251   5.006
  920    H3   TSA 501           1H3      TSA 501  -6.759  -0.368   5.913
  921    H4   TSA 501           4H       TSA 501  -8.485   1.144   5.179
  922    HO5  TSA 501           HO5      TSA 501  -6.983   2.245   6.532
  923    H5   TSA 501           5H       TSA 501  -8.057   2.585   3.111
  924   1H6   TSA 501          1H6       TSA 501  -5.888   2.438   1.982
  925   2H6   TSA 501          2H6       TSA 501  -5.488   2.822   3.596
  926    H8   TSA 501           8H       TSA 501  -7.251   0.527   0.707
  927   1H9   TSA 501          1H9       TSA 501  -5.326  -1.115   2.156
  928   2H9   TSA 501          2H9       TSA 501  -5.010   0.108   1.073
  Start of MODEL    6
    1   1H    MET   1          1HT       MET   1 -16.512 -13.230   0.559
    2   2H    MET   1          2HT       MET   1 -17.351 -13.749  -0.825
    3   3H    MET   1          3HT       MET   1 -17.953 -12.459   0.104
    4    HA   MET   1           HA       MET   1 -15.943 -12.463  -1.962
    5   1HB   MET   1          2HB       MET   1 -17.667 -10.357  -0.615
    6   2HB   MET   1          1HB       MET   1 -16.637 -10.052  -2.013
    7   1HG   MET   1          2HG       MET   1 -17.891 -11.736  -3.314
    8   2HG   MET   1          1HG       MET   1 -18.918 -12.059  -1.917
    9   1HE   MET   1          1HE       MET   1 -21.210 -11.506  -2.949
   10   2HE   MET   1          2HE       MET   1 -20.281 -11.540  -4.446
   11   3HE   MET   1          3HE       MET   1 -21.427 -10.233  -4.158
   12    H    ILE   2           H        ILE   2 -15.532 -12.667   1.239
   13    HA   ILE   2           HA       ILE   2 -13.858 -10.418   1.882
   14    HB   ILE   2           HB       ILE   2 -14.877 -11.996   3.557
   15   1HG1  ILE   2          2HG1      ILE   2 -12.835 -12.090   5.013
   16   2HG1  ILE   2          1HG1      ILE   2 -11.864 -11.638   3.612
   17   1HG2  ILE   2          1HG2      ILE   2 -12.605 -13.840   2.787
   18   2HG2  ILE   2          2HG2      ILE   2 -14.251 -14.052   2.191
   19   3HG2  ILE   2          3HG2      ILE   2 -13.918 -14.163   3.919
   20   1HD1  ILE   2          1HD1      ILE   2 -12.651  -9.472   3.588
   21   2HD1  ILE   2          2HD1      ILE   2 -12.817  -9.803   5.312
   22   3HD1  ILE   2          3HD1      ILE   2 -14.221  -9.924   4.251
   23    H    GLU   3           H        GLU   3 -13.278 -13.483   0.257
   24    HA   GLU   3           HA       GLU   3 -10.432 -13.554   0.413
   25   1HB   GLU   3          2HB       GLU   3 -10.586 -14.934  -1.672
   26   2HB   GLU   3          1HB       GLU   3 -11.693 -15.468  -0.409
   27   1HG   GLU   3          2HG       GLU   3 -13.523 -14.191  -1.479
   28   2HG   GLU   3          1HG       GLU   3 -12.419 -13.695  -2.760
   29    H    LYS   4           H        LYS   4 -12.623 -11.815  -1.743
   30    HA   LYS   4           HA       LYS   4 -10.739 -10.961  -3.692
   31   1HB   LYS   4          2HB       LYS   4 -13.245  -9.613  -2.630
   32   2HB   LYS   4          1HB       LYS   4 -12.352  -9.051  -4.045
   33   1HG   LYS   4          2HG       LYS   4 -12.727 -11.175  -5.183
   34   2HG   LYS   4          1HG       LYS   4 -13.513 -11.840  -3.749
   35   1HD   LYS   4          2HD       LYS   4 -15.328 -11.160  -5.098
   36   2HD   LYS   4          1HD       LYS   4 -15.136  -9.822  -3.965
   37   1HE   LYS   4          2HE       LYS   4 -13.960  -8.501  -5.594
   38   2HE   LYS   4          1HE       LYS   4 -13.826  -9.872  -6.695
   39   1HZ   LYS   4          1HZ       LYS   4 -16.448  -9.792  -6.390
   40   2HZ   LYS   4          2HZ       LYS   4 -15.640  -8.902  -7.590
   41   3HZ   LYS   4          3HZ       LYS   4 -16.109  -8.149  -6.142
   42    H    LEU   5           H        LEU   5 -11.665  -9.494  -0.585
   43    HA   LEU   5           HA       LEU   5 -10.001  -7.160  -0.815
   44   1HB   LEU   5          2HB       LEU   5 -11.873  -7.367   0.791
   45   2HB   LEU   5          1HB       LEU   5 -10.989  -8.623   1.653
   46    HG   LEU   5           HG       LEU   5  -9.470  -6.120   1.259
   47   1HD1  LEU   5          1HD1      LEU   5 -12.033  -6.233   2.866
   48   2HD1  LEU   5          2HD1      LEU   5 -11.565  -5.039   1.657
   49   3HD1  LEU   5          3HD1      LEU   5 -10.750  -5.076   3.221
   50   1HD2  LEU   5          1HD2      LEU   5 -10.127  -7.857   3.665
   51   2HD2  LEU   5          2HD2      LEU   5  -8.930  -6.562   3.639
   52   3HD2  LEU   5          3HD2      LEU   5  -8.689  -8.006   2.656
   53    H    ALA   6           H        ALA   6  -9.441 -10.434   0.359
   54    HA   ALA   6           HA       ALA   6  -6.889  -9.902   1.593
   55   1HB   ALA   6          1HB       ALA   6  -6.676 -12.276   1.767
   56   2HB   ALA   6          2HB       ALA   6  -7.807 -12.541   0.439
   57   3HB   ALA   6          3HB       ALA   6  -8.388 -11.920   1.984
   58    H    GLU   7           H        GLU   7  -7.569 -11.719  -1.435
   59    HA   GLU   7           HA       GLU   7  -4.934 -11.852  -2.372
   60   1HB   GLU   7          2HB       GLU   7  -7.501 -11.528  -3.946
   61   2HB   GLU   7          1HB       GLU   7  -5.947 -11.946  -4.670
   62   1HG   GLU   7          2HG       GLU   7  -5.816 -13.964  -3.282
   63   2HG   GLU   7          1HG       GLU   7  -7.337 -13.540  -2.497
   64    H    ILE   8           H        ILE   8  -7.222  -9.158  -2.613
   65    HA   ILE   8           HA       ILE   8  -5.717  -7.549  -4.432
   66    HB   ILE   8           HB       ILE   8  -7.729  -6.912  -2.282
   67   1HG1  ILE   8          2HG1      ILE   8  -7.835  -6.489  -5.278
   68   2HG1  ILE   8          1HG1      ILE   8  -8.362  -7.985  -4.507
   69   1HG2  ILE   8          1HG2      ILE   8  -6.627  -4.889  -2.202
   70   2HG2  ILE   8          2HG2      ILE   8  -7.631  -4.598  -3.622
   71   3HG2  ILE   8          3HG2      ILE   8  -5.945  -5.078  -3.816
   72   1HD1  ILE   8          1HD1      ILE   8 -10.302  -6.548  -4.803
   73   2HD1  ILE   8          2HD1      ILE   8  -9.473  -5.206  -4.013
   74   3HD1  ILE   8          3HD1      ILE   8  -9.926  -6.635  -3.083
   75    H    ARG   9           H        ARG   9  -5.753  -7.582  -0.852
   76    HA   ARG   9           HA       ARG   9  -3.750  -5.525  -0.599
   77   1HB   ARG   9          2HB       ARG   9  -4.724  -7.665   1.332
   78   2HB   ARG   9          1HB       ARG   9  -3.584  -6.393   1.778
   79   1HG   ARG   9          2HG       ARG   9  -5.320  -4.722   0.898
   80   2HG   ARG   9          1HG       ARG   9  -6.462  -6.065   0.873
   81   1HD   ARG   9          2HD       ARG   9  -5.954  -6.463   3.300
   82   2HD   ARG   9          1HD       ARG   9  -4.944  -5.019   3.276
   83    HE   ARG   9           HE       ARG   9  -7.389  -4.116   2.332
   84   1HH1  ARG   9          1HH2      ARG   9  -6.333  -5.942   5.057
   85   2HH1  ARG   9          2HH2      ARG   9  -7.390  -5.143   6.176
   86   1HH2  ARG   9          1HH1      ARG   9  -8.848  -3.122   3.765
   87   2HH2  ARG   9          2HH1      ARG   9  -8.799  -3.532   5.447
   88    H    LYS  10           H        LYS  10  -3.599  -8.943  -1.230
   89    HA   LYS  10           HA       LYS  10  -0.860  -9.365  -0.403
   90   1HB   LYS  10          2HB       LYS  10  -2.684 -10.811  -2.353
   91   2HB   LYS  10          1HB       LYS  10  -1.038 -11.350  -2.017
   92   1HG   LYS  10          2HG       LYS  10  -1.647 -11.429   0.433
   93   2HG   LYS  10          1HG       LYS  10  -3.316 -11.095  -0.030
   94   1HD   LYS  10          2HD       LYS  10  -3.338 -13.125  -1.436
   95   2HD   LYS  10          1HD       LYS  10  -1.670 -13.464  -0.971
   96   1HE   LYS  10          2HE       LYS  10  -2.365 -13.626   1.397
   97   2HE   LYS  10          1HE       LYS  10  -4.035 -13.308   0.924
   98   1HZ   LYS  10          1HZ       LYS  10  -3.152 -15.740   1.189
   99   2HZ   LYS  10          2HZ       LYS  10  -2.594 -15.494  -0.397
  100   3HZ   LYS  10          3HZ       LYS  10  -4.249 -15.347  -0.044
  101    H    LYS  11           H        LYS  11  -2.446  -8.268  -3.377
  102    HA   LYS  11           HA       LYS  11  -0.138  -8.257  -5.067
  103   1HB   LYS  11          2HB       LYS  11  -2.463  -6.297  -5.129
  104   2HB   LYS  11          1HB       LYS  11  -1.377  -6.677  -6.463
  105   1HG   LYS  11          2HG       LYS  11  -2.314  -9.171  -5.718
  106   2HG   LYS  11          1HG       LYS  11  -3.729  -8.143  -5.497
  107   1HD   LYS  11          2HD       LYS  11  -2.043  -8.171  -8.017
  108   2HD   LYS  11          1HD       LYS  11  -3.529  -9.099  -7.818
  109   1HE   LYS  11          2HE       LYS  11  -4.862  -7.150  -7.657
  110   2HE   LYS  11          1HE       LYS  11  -3.465  -6.121  -7.342
  111   1HZ   LYS  11          1HZ       LYS  11  -3.509  -7.608  -9.856
  112   2HZ   LYS  11          2HZ       LYS  11  -2.890  -6.062  -9.519
  113   3HZ   LYS  11          3HZ       LYS  11  -4.562  -6.287  -9.718
  114    H    ILE  12           H        ILE  12  -1.465  -5.886  -2.784
  115    HA   ILE  12           HA       ILE  12   0.360  -3.761  -3.286
  116    HB   ILE  12           HB       ILE  12  -1.275  -4.633  -0.923
  117   1HG1  ILE  12          2HG1      ILE  12  -2.202  -2.334  -1.223
  118   2HG1  ILE  12          1HG1      ILE  12  -1.094  -2.087  -2.572
  119   1HG2  ILE  12          1HG2      ILE  12   0.987  -2.639  -0.909
  120   2HG2  ILE  12          2HG2      ILE  12   0.635  -3.911   0.262
  121   3HG2  ILE  12          3HG2      ILE  12  -0.380  -2.470   0.190
  122   1HD1  ILE  12          1HD1      ILE  12  -3.532  -2.902  -3.062
  123   2HD1  ILE  12          2HD1      ILE  12  -2.923  -4.475  -2.545
  124   3HD1  ILE  12          3HD1      ILE  12  -2.189  -3.655  -3.924
  125    H    ASP  13           H        ASP  13   0.616  -6.701  -1.365
  126    HA   ASP  13           HA       ASP  13   3.020  -6.129   0.037
  127   1HB   ASP  13          2HB       ASP  13   1.440  -8.147   0.298
  128   2HB   ASP  13          1HB       ASP  13   2.297  -8.855  -1.070
  129    H    GLU  14           H        GLU  14   2.477  -7.507  -3.202
  130    HA   GLU  14           HA       GLU  14   5.232  -7.954  -3.838
  131   1HB   GLU  14          2HB       GLU  14   2.844  -7.353  -5.608
  132   2HB   GLU  14          1HB       GLU  14   4.425  -7.824  -6.227
  133   1HG   GLU  14          2HG       GLU  14   4.304  -9.944  -5.000
  134   2HG   GLU  14          1HG       GLU  14   2.755  -9.469  -4.300
  135    H    ILE  15           H        ILE  15   3.174  -5.107  -3.932
  136    HA   ILE  15           HA       ILE  15   5.151  -3.490  -5.379
  137    HB   ILE  15           HB       ILE  15   2.505  -2.895  -4.043
  138   1HG1  ILE  15          2HG1      ILE  15   2.171  -1.991  -6.479
  139   2HG1  ILE  15          1HG1      ILE  15   3.584  -2.978  -6.855
  140   1HG2  ILE  15          1HG2      ILE  15   4.628  -0.992  -5.030
  141   2HG2  ILE  15          2HG2      ILE  15   3.714  -0.935  -3.522
  142   3HG2  ILE  15          3HG2      ILE  15   2.922  -0.542  -5.047
  143   1HD1  ILE  15          1HD1      ILE  15   2.464  -4.971  -5.961
  144   2HD1  ILE  15          2HD1      ILE  15   1.460  -4.228  -7.207
  145   3HD1  ILE  15          3HD1      ILE  15   1.066  -3.999  -5.503
  146    H    ASP  16           H        ASP  16   4.123  -4.021  -2.048
  147    HA   ASP  16           HA       ASP  16   5.435  -1.847  -0.796
  148   1HB   ASP  16          2HB       ASP  16   4.855  -4.666   0.157
  149   2HB   ASP  16          1HB       ASP  16   5.508  -3.415   1.214
  150    H    ASN  17           H        ASN  17   6.661  -5.169  -1.331
  151    HA   ASN  17           HA       ASN  17   9.307  -4.670  -0.406
  152   1HB   ASN  17          2HB       ASN  17   8.134  -6.667  -2.346
  153   2HB   ASN  17          1HB       ASN  17   9.862  -6.620  -2.005
  154   1HD2  ASN  17          1HD2      ASN  17   9.753  -5.932   0.785
  155   2HD2  ASN  17          2HD2      ASN  17   9.068  -7.247   1.626
  156    H    LYS  18           H        LYS  18   7.784  -4.188  -3.552
  157    HA   LYS  18           HA       LYS  18  10.124  -3.724  -5.104
  158   1HB   LYS  18          2HB       LYS  18   7.813  -4.040  -6.009
  159   2HB   LYS  18          1HB       LYS  18   7.405  -2.424  -5.437
  160   1HG   LYS  18          2HG       LYS  18   9.164  -1.462  -6.874
  161   2HG   LYS  18          1HG       LYS  18   9.591  -3.079  -7.440
  162   1HD   LYS  18          2HD       LYS  18   7.257  -3.356  -8.291
  163   2HD   LYS  18          1HD       LYS  18   6.918  -1.692  -7.819
  164   1HE   LYS  18          2HE       LYS  18   9.207  -2.389  -9.664
  165   2HE   LYS  18          1HE       LYS  18   7.581  -2.080 -10.273
  166   1HZ   LYS  18          1HZ       LYS  18   8.192   0.051 -10.257
  167   2HZ   LYS  18          2HZ       LYS  18   9.545  -0.236  -9.270
  168   3HZ   LYS  18          3HZ       LYS  18   8.010  -0.016  -8.572
  169    H    ILE  19           H        ILE  19   8.105  -1.416  -3.252
  170    HA   ILE  19           HA       ILE  19   9.705   0.873  -4.030
  171    HB   ILE  19           HB       ILE  19   7.408   1.199  -3.340
  172   1HG1  ILE  19          2HG1      ILE  19   9.501   2.738  -2.530
  173   2HG1  ILE  19          1HG1      ILE  19   7.814   3.162  -2.244
  174   1HG2  ILE  19          1HG2      ILE  19   7.025  -0.613  -1.849
  175   2HG2  ILE  19          2HG2      ILE  19   6.861   0.841  -0.866
  176   3HG2  ILE  19          3HG2      ILE  19   8.339  -0.119  -0.784
  177   1HD1  ILE  19          1HD1      ILE  19   9.361   3.248  -0.206
  178   2HD1  ILE  19          2HD1      ILE  19   9.401   1.486  -0.290
  179   3HD1  ILE  19          3HD1      ILE  19   7.871   2.322  -0.016
  180    H    LEU  20           H        LEU  20   9.934  -1.511  -1.475
  181    HA   LEU  20           HA       LEU  20  11.709   0.029   0.227
  182   1HB   LEU  20          2HB       LEU  20  11.161  -2.943  -0.016
  183   2HB   LEU  20          1HB       LEU  20  12.274  -2.269   1.172
  184    HG   LEU  20           HG       LEU  20   9.363  -1.450   0.925
  185   1HD1  LEU  20          1HD1      LEU  20   9.289  -2.768   3.169
  186   2HD1  LEU  20          2HD1      LEU  20  10.759  -3.546   2.583
  187   3HD1  LEU  20          3HD1      LEU  20   9.261  -3.686   1.663
  188   1HD2  LEU  20          1HD2      LEU  20  11.654  -0.738   2.727
  189   2HD2  LEU  20          2HD2      LEU  20  10.030  -0.784   3.413
  190   3HD2  LEU  20          3HD2      LEU  20  10.390   0.301   2.070
  191    H    LYS  21           H        LYS  21  12.105  -1.953  -2.632
  192    HA   LYS  21           HA       LYS  21  14.805  -2.687  -2.499
  193   1HB   LYS  21          2HB       LYS  21  13.148  -1.736  -4.846
  194   2HB   LYS  21          1HB       LYS  21  14.791  -2.347  -5.032
  195   1HG   LYS  21          2HG       LYS  21  14.123  -4.482  -3.991
  196   2HG   LYS  21          1HG       LYS  21  12.483  -3.870  -3.779
  197   1HD   LYS  21          2HD       LYS  21  12.198  -3.672  -6.191
  198   2HD   LYS  21          1HD       LYS  21  13.873  -4.153  -6.459
  199   1HE   LYS  21          2HE       LYS  21  12.405  -6.079  -6.818
  200   2HE   LYS  21          1HE       LYS  21  13.386  -6.343  -5.376
  201   1HZ   LYS  21          1HZ       LYS  21  11.143  -6.922  -4.883
  202   2HZ   LYS  21          2HZ       LYS  21  10.561  -5.441  -5.477
  203   3HZ   LYS  21          3HZ       LYS  21  11.495  -5.482  -4.058
  204    H    ALA  22           H        ALA  22  16.612  -1.558  -3.846
  205    HA   ALA  22           HA       ALA  22  17.236   0.928  -2.625
  206   1HB   ALA  22          1HB       ALA  22  19.172   0.955  -4.002
  207   2HB   ALA  22          2HB       ALA  22  18.374   0.035  -5.278
  208   3HB   ALA  22          3HB       ALA  22  18.815  -0.755  -3.764
  209    H    ARG  23           H        ARG  23  18.148   2.144  -5.299
  210    HA   ARG  23           HA       ARG  23  15.502   3.271  -6.119
  211   1HB   ARG  23          2HB       ARG  23  18.099   4.794  -5.691
  212   2HB   ARG  23          1HB       ARG  23  16.616   5.483  -6.347
  213   1HG   ARG  23          2HG       ARG  23  16.519   4.060  -3.700
  214   2HG   ARG  23          1HG       ARG  23  17.138   5.709  -3.770
  215   1HD   ARG  23          2HD       ARG  23  14.424   4.823  -4.821
  216   2HD   ARG  23          1HD       ARG  23  14.687   5.673  -3.294
  217    HE   ARG  23           HE       ARG  23  15.877   7.313  -5.200
  218   1HH1  ARG  23          1HH2      ARG  23  12.784   5.852  -4.757
  219   2HH1  ARG  23          2HH2      ARG  23  11.921   7.136  -5.537
  220   1HH2  ARG  23          1HH1      ARG  23  14.748   9.006  -6.226
  221   2HH2  ARG  23          2HH1      ARG  23  13.022   8.911  -6.364
  222    H    TRP  24           H        TRP  24  17.581   1.245  -7.235
  223    HA   TRP  24           HA       TRP  24  18.383   2.559  -9.748
  224   1HB   TRP  24          2HB       TRP  24  19.426   0.451  -8.273
  225   2HB   TRP  24          1HB       TRP  24  18.659  -0.355  -9.639
  226    HD1  TRP  24           HD       TRP  24  19.605   0.153 -12.076
  227    HE1  TRP  24           1HE      TRP  24  21.830   1.176 -12.889
  228    HE3  TRP  24           3HE      TRP  24  21.295   2.175  -7.704
  229    HZ2  TRP  24           2HZ      TRP  24  24.036   2.659 -11.820
  230    HZ3  TRP  24           3HZ      TRP  24  23.453   3.386  -7.627
  231    HH2  TRP  24           HH       TRP  24  24.827   3.632  -9.677
  232    HA   PRO  25           HA       PRO  25  15.128  -0.842 -11.170
  233   1HB   PRO  25          2HB       PRO  25  13.335  -0.686  -8.794
  234   2HB   PRO  25          1HB       PRO  25  13.818  -2.100  -9.753
  235   1HG   PRO  25          2HG       PRO  25  14.826  -1.725  -7.349
  236   2HG   PRO  25          1HG       PRO  25  15.856  -2.300  -8.673
  237   1HD   PRO  25          2HD       PRO  25  15.660   0.479  -7.519
  238   2HD   PRO  25          1HD       PRO  25  17.108  -0.445  -7.976
  239    H    TRP  26           H        TRP  26  13.343  -0.191 -12.416
  240    HA   TRP  26           HA       TRP  26  12.678   2.569 -12.533
  241   1HB   TRP  26          2HB       TRP  26  12.336   1.038 -14.434
  242   2HB   TRP  26          1HB       TRP  26  11.079   0.192 -13.533
  243    HD1  TRP  26           HD       TRP  26  11.824   3.597 -15.142
  244    HE1  TRP  26           1HE      TRP  26   9.585   4.796 -15.585
  245    HE3  TRP  26           3HE      TRP  26   8.617   0.328 -12.890
  246    HZ2  TRP  26           2HZ      TRP  26   6.797   4.415 -15.052
  247    HZ3  TRP  26           3HZ      TRP  26   6.179   0.767 -12.871
  248    HH2  TRP  26           HH       TRP  26   5.265   2.804 -13.948
  249    H    ALA  27           H        ALA  27  11.789   3.560 -10.749
  250    HA   ALA  27           HA       ALA  27   9.087   2.769  -9.956
  251   1HB   ALA  27          1HB       ALA  27  10.352   1.253  -8.534
  252   2HB   ALA  27          2HB       ALA  27   9.695   2.548  -7.532
  253   3HB   ALA  27          3HB       ALA  27  11.395   2.571  -7.998
  254    H    GLU  28           H        GLU  28  10.703   5.109 -11.000
  255    HA   GLU  28           HA       GLU  28  10.857   7.143  -8.993
  256   1HB   GLU  28          2HB       GLU  28  10.389   7.365 -11.983
  257   2HB   GLU  28          1HB       GLU  28  10.777   8.724 -10.930
  258   1HG   GLU  28          2HG       GLU  28  12.515   6.263 -11.278
  259   2HG   GLU  28          1HG       GLU  28  12.793   7.810 -12.078
  260    H    LYS  29           H        LYS  29   8.253   6.147 -11.194
  261    HA   LYS  29           HA       LYS  29   6.406   7.952  -9.687
  262   1HB   LYS  29          2HB       LYS  29   6.176   6.770 -12.475
  263   2HB   LYS  29          1HB       LYS  29   4.899   7.691 -11.681
  264   1HG   LYS  29          2HG       LYS  29   6.383   9.638 -11.502
  265   2HG   LYS  29          1HG       LYS  29   7.694   8.724 -12.248
  266   1HD   LYS  29          2HD       LYS  29   6.295   8.428 -14.285
  267   2HD   LYS  29          1HD       LYS  29   5.039   9.418 -13.540
  268   1HE   LYS  29          2HE       LYS  29   7.876  10.390 -13.958
  269   2HE   LYS  29          1HE       LYS  29   6.582  10.665 -15.124
  270   1HZ   LYS  29          1HZ       LYS  29   6.462  11.473 -12.273
  271   2HZ   LYS  29          2HZ       LYS  29   5.340  11.856 -13.490
  272   3HZ   LYS  29          3HZ       LYS  29   6.909  12.511 -13.538
  273    H    LEU  30           H        LEU  30   7.158   5.495  -8.524
  274    HA   LEU  30           HA       LEU  30   5.089   3.516  -9.160
  275   1HB   LEU  30          2HB       LEU  30   7.528   3.103  -8.254
  276   2HB   LEU  30          1HB       LEU  30   6.788   3.395  -6.681
  277    HG   LEU  30           HG       LEU  30   6.724   1.007  -7.123
  278   1HD1  LEU  30          1HD1      LEU  30   4.402   0.616  -6.789
  279   2HD1  LEU  30          2HD1      LEU  30   3.946   2.032  -7.739
  280   3HD1  LEU  30          3HD1      LEU  30   4.683   2.235  -6.149
  281   1HD2  LEU  30          1HD2      LEU  30   6.656   1.653  -9.751
  282   2HD2  LEU  30          2HD2      LEU  30   4.946   1.299  -9.495
  283   3HD2  LEU  30          3HD2      LEU  30   6.164   0.071  -9.145
  284    H    ILE  31           H        ILE  31   3.041   4.087  -8.565
  285    HA   ILE  31           HA       ILE  31   2.344   4.286  -5.784
  286    HB   ILE  31           HB       ILE  31   3.313   6.566  -6.077
  287   1HG1  ILE  31          2HG1      ILE  31   0.291   6.669  -5.839
  288   2HG1  ILE  31          1HG1      ILE  31   1.343   6.078  -4.553
  289   1HG2  ILE  31          1HG2      ILE  31   2.355   8.132  -7.619
  290   2HG2  ILE  31          2HG2      ILE  31   1.025   7.040  -8.001
  291   3HG2  ILE  31          3HG2      ILE  31   2.660   6.661  -8.541
  292   1HD1  ILE  31          1HD1      ILE  31   2.397   8.201  -4.298
  293   2HD1  ILE  31          2HD1      ILE  31   0.672   8.545  -4.407
  294   3HD1  ILE  31          3HD1      ILE  31   1.713   8.804  -5.808
  295    H    ALA  32           H        ALA  32   1.555   4.576  -9.162
  296    HA   ALA  32           HA       ALA  32  -1.290   4.843  -8.929
  297   1HB   ALA  32          1HB       ALA  32  -1.363   4.172 -11.247
  298   2HB   ALA  32          2HB       ALA  32   0.222   3.408 -11.126
  299   3HB   ALA  32          3HB       ALA  32   0.081   5.164 -11.031
  300    H    GLU  33           H        GLU  33   0.799   1.958  -9.246
  301    HA   GLU  33           HA       GLU  33  -1.155  -0.036  -9.390
  302   1HB   GLU  33          2HB       GLU  33   1.449  -0.077  -7.829
  303   2HB   GLU  33          1HB       GLU  33   0.499  -1.508  -8.228
  304   1HG   GLU  33          2HG       GLU  33   2.093  -1.435  -9.953
  305   2HG   GLU  33          1HG       GLU  33   0.689  -0.661 -10.685
  306    H    ARG  34           H        ARG  34   0.282   1.266  -6.367
  307    HA   ARG  34           HA       ARG  34  -1.444  -0.133  -4.590
  308   1HB   ARG  34          2HB       ARG  34   0.681   1.292  -4.080
  309   2HB   ARG  34          1HB       ARG  34  -0.431   2.655  -4.022
  310   1HG   ARG  34          2HG       ARG  34  -1.789   1.364  -2.306
  311   2HG   ARG  34          1HG       ARG  34  -0.474   0.187  -2.275
  312   1HD   ARG  34          2HD       ARG  34   1.008   2.281  -1.888
  313   2HD   ARG  34          1HD       ARG  34  -0.474   3.047  -1.396
  314    HE   ARG  34           HE       ARG  34   1.092   1.202   0.214
  315   1HH1  ARG  34          1HH2      ARG  34  -2.082   1.980  -0.833
  316   2HH1  ARG  34          2HH2      ARG  34  -2.857   1.274   0.544
  317   1HH2  ARG  34          1HH1      ARG  34   0.106   0.266   2.051
  318   2HH2  ARG  34          2HH1      ARG  34  -1.626   0.322   2.174
  319    H    ASN  35           H        ASN  35  -1.782   3.057  -6.127
  320    HA   ASN  35           HA       ASN  35  -4.239   3.758  -4.862
  321   1HB   ASN  35          2HB       ASN  35  -2.949   5.438  -6.089
  322   2HB   ASN  35          1HB       ASN  35  -3.142   4.521  -7.588
  323   1HD2  ASN  35          1HD2      ASN  35  -4.279   7.238  -6.234
  324   2HD2  ASN  35          2HD2      ASN  35  -5.889   7.226  -6.790
  325    H    SER  36           H        SER  36  -3.551   1.981  -7.875
  326    HA   SER  36           HA       SER  36  -6.082   1.692  -8.977
  327   1HB   SER  36          2HB       SER  36  -3.987   0.642  -9.857
  328   2HB   SER  36          1HB       SER  36  -4.099  -0.574  -8.590
  329    HG   SER  36           HG       SER  36  -5.792  -0.104 -10.794
  330    H    LEU  37           H        LEU  37  -4.856  -1.025  -7.035
  331    HA   LEU  37           HA       LEU  37  -7.194  -2.253  -6.320
  332   1HB   LEU  37          2HB       LEU  37  -4.860  -1.649  -4.487
  333   2HB   LEU  37          1HB       LEU  37  -6.153  -2.769  -4.077
  334    HG   LEU  37           HG       LEU  37  -4.263  -4.020  -4.942
  335   1HD1  LEU  37          1HD1      LEU  37  -6.031  -4.048  -7.337
  336   2HD1  LEU  37          2HD1      LEU  37  -6.782  -4.390  -5.778
  337   3HD1  LEU  37          3HD1      LEU  37  -5.448  -5.391  -6.354
  338   1HD2  LEU  37          1HD2      LEU  37  -3.481  -1.940  -6.307
  339   2HD2  LEU  37          2HD2      LEU  37  -4.493  -2.611  -7.589
  340   3HD2  LEU  37          3HD2      LEU  37  -3.148  -3.551  -6.942
  341    H    ALA  38           H        ALA  38  -5.828   0.590  -4.651
  342    HA   ALA  38           HA       ALA  38  -7.549   0.980  -2.551
  343   1HB   ALA  38          1HB       ALA  38  -6.956   3.218  -2.576
  344   2HB   ALA  38          2HB       ALA  38  -7.082   3.340  -4.331
  345   3HB   ALA  38          3HB       ALA  38  -5.693   2.537  -3.599
  346    H    LYS  39           H        LYS  39  -8.280   1.939  -5.916
  347    HA   LYS  39           HA       LYS  39 -10.926   2.895  -5.363
  348   1HB   LYS  39          2HB       LYS  39  -9.756   3.444  -7.446
  349   2HB   LYS  39          1HB       LYS  39  -9.753   1.742  -7.908
  350   1HG   LYS  39          2HG       LYS  39 -12.349   3.120  -7.274
  351   2HG   LYS  39          1HG       LYS  39 -11.620   3.300  -8.870
  352   1HD   LYS  39          2HD       LYS  39 -11.424   0.577  -8.396
  353   2HD   LYS  39          1HD       LYS  39 -12.992   0.992  -7.704
  354   1HE   LYS  39          2HE       LYS  39 -13.521   2.205  -9.858
  355   2HE   LYS  39          1HE       LYS  39 -12.044   1.517 -10.533
  356   1HZ   LYS  39          1HZ       LYS  39 -14.364   0.007  -9.460
  357   2HZ   LYS  39          2HZ       LYS  39 -12.917  -0.699 -10.002
  358   3HZ   LYS  39          3HZ       LYS  39 -13.917   0.140 -11.090
  359    H    ASP  40           H        ASP  40  -9.839  -0.261  -6.670
  360    HA   ASP  40           HA       ASP  40 -12.431  -1.454  -6.712
  361   1HB   ASP  40          2HB       ASP  40  -9.634  -2.595  -6.528
  362   2HB   ASP  40          1HB       ASP  40 -11.061  -3.631  -6.588
  363    H    VAL  41           H        VAL  41  -9.940  -1.301  -4.182
  364    HA   VAL  41           HA       VAL  41 -11.197  -3.063  -2.325
  365    HB   VAL  41           HB       VAL  41  -9.412  -0.655  -1.865
  366   1HG1  VAL  41          1HG1      VAL  41 -10.433  -0.989   0.226
  367   2HG1  VAL  41          2HG1      VAL  41  -8.980  -1.982   0.335
  368   3HG1  VAL  41          3HG1      VAL  41 -10.539  -2.736  -0.001
  369   1HG2  VAL  41          1HG2      VAL  41  -7.640  -2.319  -1.638
  370   2HG2  VAL  41          2HG2      VAL  41  -8.449  -2.551  -3.188
  371   3HG2  VAL  41          3HG2      VAL  41  -8.803  -3.630  -1.840
  372    H    ALA  42           H        ALA  42 -11.428   0.466  -2.739
  373    HA   ALA  42           HA       ALA  42 -13.108   1.102  -0.601
  374   1HB   ALA  42          1HB       ALA  42 -12.216   2.405  -2.901
  375   2HB   ALA  42          2HB       ALA  42 -13.208   3.115  -1.630
  376   3HB   ALA  42          3HB       ALA  42 -13.973   2.422  -3.060
  377    H    GLU  43           H        GLU  43 -14.042  -0.110  -3.818
  378    HA   GLU  43           HA       GLU  43 -16.842  -0.123  -3.505
  379   1HB   GLU  43          2HB       GLU  43 -15.660  -0.706  -5.617
  380   2HB   GLU  43          1HB       GLU  43 -15.140  -2.224  -4.888
  381   1HG   GLU  43          2HG       GLU  43 -17.482  -2.914  -4.607
  382   2HG   GLU  43          1HG       GLU  43 -18.024  -1.379  -5.284
  383    H    ILE  44           H        ILE  44 -14.671  -2.922  -2.955
  384    HA   ILE  44           HA       ILE  44 -16.498  -4.654  -1.754
  385    HB   ILE  44           HB       ILE  44 -13.665  -4.278  -0.771
  386   1HG1  ILE  44          2HG1      ILE  44 -13.539  -4.378  -3.184
  387   2HG1  ILE  44          1HG1      ILE  44 -13.070  -5.956  -2.552
  388   1HG2  ILE  44          1HG2      ILE  44 -13.784  -6.650  -0.276
  389   2HG2  ILE  44          2HG2      ILE  44 -15.382  -6.763  -1.016
  390   3HG2  ILE  44          3HG2      ILE  44 -15.161  -5.844   0.474
  391   1HD1  ILE  44          1HD1      ILE  44 -14.559  -6.489  -4.295
  392   2HD1  ILE  44          2HD1      ILE  44 -15.646  -5.159  -3.896
  393   3HD1  ILE  44          3HD1      ILE  44 -15.573  -6.581  -2.854
  394    H    LYS  45           H        LYS  45 -14.785  -1.916  -0.297
  395    HA   LYS  45           HA       LYS  45 -15.427  -2.443   2.432
  396   1HB   LYS  45          2HB       LYS  45 -15.032   0.210   0.998
  397   2HB   LYS  45          1HB       LYS  45 -15.105   0.025   2.750
  398   1HG   LYS  45          2HG       LYS  45 -13.156  -1.607   1.134
  399   2HG   LYS  45          1HG       LYS  45 -12.762   0.048   1.599
  400   1HD   LYS  45          2HD       LYS  45 -13.444  -0.681   3.995
  401   2HD   LYS  45          1HD       LYS  45 -13.282  -2.327   3.387
  402   1HE   LYS  45          2HE       LYS  45 -11.162  -1.709   4.359
  403   2HE   LYS  45          1HE       LYS  45 -10.954  -1.717   2.608
  404   1HZ   LYS  45          1HZ       LYS  45 -11.838   0.819   3.311
  405   2HZ   LYS  45          2HZ       LYS  45 -10.297   0.377   2.747
  406   3HZ   LYS  45          3HZ       LYS  45 -10.614   0.419   4.416
  407    H    ASN  46           H        ASN  46 -17.173  -0.598  -0.061
  408    HA   ASN  46           HA       ASN  46 -19.347   0.250   1.582
  409   1HB   ASN  46          2HB       ASN  46 -18.859   1.154  -0.682
  410   2HB   ASN  46          1HB       ASN  46 -19.338  -0.391  -1.384
  411   1HD2  ASN  46          1HD2      ASN  46 -21.254   0.277  -2.463
  412   2HD2  ASN  46          2HD2      ASN  46 -22.601   0.923  -1.656
  413    H    GLN  47           H        GLN  47 -18.784  -2.697  -0.301
  414    HA   GLN  47           HA       GLN  47 -21.432  -3.779   0.267
  415   1HB   GLN  47          2HB       GLN  47 -20.876  -5.331  -1.287
  416   2HB   GLN  47          1HB       GLN  47 -19.436  -4.356  -1.574
  417   1HG   GLN  47          2HG       GLN  47 -18.284  -5.658   0.248
  418   2HG   GLN  47          1HG       GLN  47 -19.692  -6.717   0.304
  419   1HE2  GLN  47          1HE2      GLN  47 -17.905  -8.361  -0.379
  420   2HE2  GLN  47          2HE2      GLN  47 -17.626  -8.538  -2.043
  421    H    LEU  48           H        LEU  48 -18.550  -3.468   2.028
  422    HA   LEU  48           HA       LEU  48 -19.090  -5.839   3.734
  423   1HB   LEU  48          2HB       LEU  48 -16.856  -3.788   3.677
  424   2HB   LEU  48          1HB       LEU  48 -17.035  -4.948   4.992
  425    HG   LEU  48           HG       LEU  48 -16.910  -5.817   2.098
  426   1HD1  LEU  48          1HD1      LEU  48 -14.490  -6.389   2.696
  427   2HD1  LEU  48          2HD1      LEU  48 -14.678  -5.316   4.083
  428   3HD1  LEU  48          3HD1      LEU  48 -14.833  -4.677   2.446
  429   1HD2  LEU  48          1HD2      LEU  48 -17.712  -7.590   3.435
  430   2HD2  LEU  48          2HD2      LEU  48 -16.695  -7.139   4.801
  431   3HD2  LEU  48          3HD2      LEU  48 -15.975  -7.893   3.380
  432    H    GLY  49           H        GLY  49 -20.101  -2.674   3.467
  433   1HA   GLY  49          2HA       GLY  49 -21.220  -1.214   4.913
  434   2HA   GLY  49          1HA       GLY  49 -21.647  -2.661   5.822
  435    H    ILE  50           H        ILE  50 -18.573  -0.853   5.290
  436    HA   ILE  50           HA       ILE  50 -18.439  -0.354   8.200
  437    HB   ILE  50           HB       ILE  50 -15.938  -1.189   8.026
  438   1HG1  ILE  50          2HG1      ILE  50 -15.791  -3.237   6.622
  439   2HG1  ILE  50          1HG1      ILE  50 -17.377  -2.867   5.944
  440   1HG2  ILE  50          1HG2      ILE  50 -18.299  -3.073   8.286
  441   2HG2  ILE  50          2HG2      ILE  50 -17.659  -2.048   9.570
  442   3HG2  ILE  50          3HG2      ILE  50 -16.678  -3.361   8.920
  443   1HD1  ILE  50          1HD1      ILE  50 -15.179  -2.094   4.691
  444   2HD1  ILE  50          2HD1      ILE  50 -15.238  -0.765   5.850
  445   3HD1  ILE  50          3HD1      ILE  50 -16.588  -1.034   4.747
  446    HA   PRO  51           HA       PRO  51 -16.536   3.447   7.165
  447   1HB   PRO  51          2HB       PRO  51 -14.334   2.710   9.062
  448   2HB   PRO  51          1HB       PRO  51 -15.320   4.187   8.998
  449   1HG   PRO  51          2HG       PRO  51 -15.833   2.401  10.838
  450   2HG   PRO  51          1HG       PRO  51 -17.177   3.129   9.938
  451   1HD   PRO  51          2HD       PRO  51 -15.927   0.412   9.564
  452   2HD   PRO  51          1HD       PRO  51 -17.647   0.858   9.574
  453    H    ILE  52           H        ILE  52 -15.120   4.232   5.643
  454    HA   ILE  52           HA       ILE  52 -13.492   2.416   4.123
  455    HB   ILE  52           HB       ILE  52 -13.390   5.451   4.169
  456   1HG1  ILE  52          2HG1      ILE  52 -15.050   3.636   2.397
  457   2HG1  ILE  52          1HG1      ILE  52 -15.687   4.456   3.822
  458   1HG2  ILE  52          1HG2      ILE  52 -11.528   4.644   2.932
  459   2HG2  ILE  52          2HG2      ILE  52 -12.754   4.996   1.714
  460   3HG2  ILE  52          3HG2      ILE  52 -12.468   3.331   2.222
  461   1HD1  ILE  52          1HD1      ILE  52 -16.050   5.664   1.607
  462   2HD1  ILE  52          2HD1      ILE  52 -14.307   5.936   1.572
  463   3HD1  ILE  52          3HD1      ILE  52 -15.281   6.616   2.876
  464    H    ASN  53           H        ASN  53 -12.707   4.949   6.508
  465    HA   ASN  53           HA       ASN  53  -9.863   4.561   6.308
  466   1HB   ASN  53          2HB       ASN  53 -11.216   6.551   7.372
  467   2HB   ASN  53          1HB       ASN  53 -11.181   5.548   8.826
  468   1HD2  ASN  53          1HD2      ASN  53  -8.781   4.490   9.101
  469   2HD2  ASN  53          2HD2      ASN  53  -7.512   5.617   8.970
  470    H    ASP  54           H        ASP  54  -8.474   3.496   7.847
  471    HA   ASP  54           HA       ASP  54  -9.557   1.829   9.946
  472   1HB   ASP  54          2HB       ASP  54 -10.168   0.632   7.758
  473   2HB   ASP  54          1HB       ASP  54  -8.441   0.326   7.587
  474    HA   PRO  55           HA       PRO  55  -5.115   3.095  10.410
  475   1HB   PRO  55          2HB       PRO  55  -5.977   2.728  13.244
  476   2HB   PRO  55          1HB       PRO  55  -5.109   4.088  12.502
  477   1HG   PRO  55          2HG       PRO  55  -7.669   4.305  13.190
  478   2HG   PRO  55          1HG       PRO  55  -7.041   5.069  11.718
  479   1HD   PRO  55          2HD       PRO  55  -8.689   2.575  11.988
  480   2HD   PRO  55          1HD       PRO  55  -8.743   3.836  10.734
  481    H    GLU  56           H        GLU  56  -6.587   0.886  12.805
  482    HA   GLU  56           HA       GLU  56  -4.691  -0.855  13.498
  483   1HB   GLU  56          2HB       GLU  56  -7.310  -1.673  12.203
  484   2HB   GLU  56          1HB       GLU  56  -6.276  -2.772  13.116
  485   1HG   GLU  56          2HG       GLU  56  -7.377  -0.182  14.249
  486   2HG   GLU  56          1HG       GLU  56  -8.150  -1.752  14.473
  487    H    ARG  57           H        ARG  57  -6.317  -1.371  10.353
  488    HA   ARG  57           HA       ARG  57  -4.470  -3.215   9.282
  489   1HB   ARG  57          2HB       ARG  57  -6.688  -1.686   8.341
  490   2HB   ARG  57          1HB       ARG  57  -5.368  -1.450   7.200
  491   1HG   ARG  57          2HG       ARG  57  -6.187  -4.191   8.161
  492   2HG   ARG  57          1HG       ARG  57  -6.892  -3.445   6.731
  493   1HD   ARG  57          2HD       ARG  57  -3.915  -3.763   7.108
  494   2HD   ARG  57          1HD       ARG  57  -4.921  -4.978   6.318
  495    HE   ARG  57           HE       ARG  57  -5.596  -2.750   4.904
  496   1HH1  ARG  57          1HH2      ARG  57  -2.585  -4.111   5.924
  497   2HH1  ARG  57          2HH2      ARG  57  -1.742  -3.680   4.461
  498   1HH2  ARG  57          1HH1      ARG  57  -4.493  -2.164   3.003
  499   2HH2  ARG  57          2HH1      ARG  57  -2.825  -2.596   2.817
  500    H    GLU  58           H        GLU  58  -4.473   0.347   9.057
  501    HA   GLU  58           HA       GLU  58  -2.052   0.525   7.516
  502   1HB   GLU  58          2HB       GLU  58  -3.247   2.556   9.434
  503   2HB   GLU  58          1HB       GLU  58  -2.059   2.894   8.174
  504   1HG   GLU  58          2HG       GLU  58  -3.612   2.418   6.432
  505   2HG   GLU  58          1HG       GLU  58  -4.739   1.643   7.546
  506    H    LYS  59           H        LYS  59  -2.734   0.369  10.988
  507    HA   LYS  59           HA       LYS  59  -0.106   1.019  11.926
  508   1HB   LYS  59          2HB       LYS  59  -2.224  -0.797  13.137
  509   2HB   LYS  59          1HB       LYS  59  -0.795  -0.219  13.991
  510   1HG   LYS  59          2HG       LYS  59  -2.764   1.683  12.702
  511   2HG   LYS  59          1HG       LYS  59  -2.970   1.107  14.356
  512   1HD   LYS  59          2HD       LYS  59  -0.711   1.964  14.921
  513   2HD   LYS  59          1HD       LYS  59  -0.553   2.587  13.280
  514   1HE   LYS  59          2HE       LYS  59  -2.487   4.048  13.613
  515   2HE   LYS  59          1HE       LYS  59  -2.732   3.390  15.230
  516   1HZ   LYS  59          1HZ       LYS  59  -1.359   5.583  14.812
  517   2HZ   LYS  59          2HZ       LYS  59  -0.093   4.470  14.595
  518   3HZ   LYS  59          3HZ       LYS  59  -0.958   4.504  16.058
  519    H    TYR  60           H        TYR  60  -1.638  -2.043  10.988
  520    HA   TYR  60           HA       TYR  60   0.500  -3.800  11.645
  521   1HB   TYR  60          2HB       TYR  60  -1.671  -4.700  11.085
  522   2HB   TYR  60          1HB       TYR  60  -1.632  -3.942   9.495
  523    HD1  TYR  60           1HD      TYR  60  -0.442  -4.939   7.658
  524    HD2  TYR  60           2HD      TYR  60  -0.127  -6.595  11.611
  525    HE1  TYR  60           1HE      TYR  60   0.696  -6.938   6.730
  526    HE2  TYR  60           2HE      TYR  60   1.004  -8.596  10.680
  527    HH   TYR  60           HH       TYR  60   1.514  -8.959   7.171
  528    H    ILE  61           H        ILE  61  -0.090  -1.762   8.822
  529    HA   ILE  61           HA       ILE  61   1.927  -2.827   7.101
  530    HB   ILE  61           HB       ILE  61   0.821  -0.015   7.359
  531   1HG1  ILE  61          2HG1      ILE  61  -0.842  -1.718   6.723
  532   2HG1  ILE  61          1HG1      ILE  61  -0.487  -0.660   5.358
  533   1HG2  ILE  61          1HG2      ILE  61   2.670  -1.264   5.319
  534   2HG2  ILE  61          2HG2      ILE  61   2.925   0.207   6.259
  535   3HG2  ILE  61          3HG2      ILE  61   1.716   0.179   4.975
  536   1HD1  ILE  61          1HD1      ILE  61  -0.302  -2.692   4.292
  537   2HD1  ILE  61          2HD1      ILE  61   0.211  -3.536   5.754
  538   3HD1  ILE  61          3HD1      ILE  61   1.357  -2.528   4.868
  539    H    TYR  62           H        TYR  62   2.049  -0.261   9.578
  540    HA   TYR  62           HA       TYR  62   4.761   0.519   9.139
  541   1HB   TYR  62          2HB       TYR  62   3.269   0.531  11.791
  542   2HB   TYR  62          1HB       TYR  62   4.637   1.551  11.344
  543    HD1  TYR  62           1HD      TYR  62   1.689   2.331  12.216
  544    HD2  TYR  62           2HD      TYR  62   3.707   2.028   8.433
  545    HE1  TYR  62           1HE      TYR  62   0.148   4.021  11.254
  546    HE2  TYR  62           2HE      TYR  62   2.163   3.713   7.474
  547    HH   TYR  62           HH       TYR  62   0.708   5.710   8.578
  548    H    ASP  63           H        ASP  63   3.342  -1.854  11.392
  549    HA   ASP  63           HA       ASP  63   5.880  -2.742  12.433
  550   1HB   ASP  63          2HB       ASP  63   3.048  -3.755  12.511
  551   2HB   ASP  63          1HB       ASP  63   4.357  -4.807  13.045
  552    H    ARG  64           H        ARG  64   3.741  -3.857   9.829
  553    HA   ARG  64           HA       ARG  64   5.192  -6.255   9.188
  554   1HB   ARG  64          2HB       ARG  64   2.873  -5.815   8.391
  555   2HB   ARG  64          1HB       ARG  64   3.481  -4.515   7.367
  556   1HG   ARG  64          2HG       ARG  64   3.231  -6.515   6.004
  557   2HG   ARG  64          1HG       ARG  64   4.948  -6.196   6.216
  558   1HD   ARG  64          2HD       ARG  64   3.821  -7.902   8.321
  559   2HD   ARG  64          1HD       ARG  64   3.727  -8.625   6.716
  560    HE   ARG  64           HE       ARG  64   6.356  -7.542   7.118
  561   1HH1  ARG  64          1HH2      ARG  64   4.303  -9.860   8.404
  562   2HH1  ARG  64          2HH2      ARG  64   5.562 -10.876   9.003
  563   1HH2  ARG  64          1HH1      ARG  64   8.096  -8.825   7.811
  564   2HH2  ARG  64          2HH1      ARG  64   7.744 -10.294   8.669
  565    H    ILE  65           H        ILE  65   5.243  -3.015   7.665
  566    HA   ILE  65           HA       ILE  65   7.392  -3.575   5.869
  567    HB   ILE  65           HB       ILE  65   6.498  -0.958   7.113
  568   1HG1  ILE  65          2HG1      ILE  65   4.789  -2.035   5.710
  569   2HG1  ILE  65          1HG1      ILE  65   5.431  -0.606   4.902
  570   1HG2  ILE  65          1HG2      ILE  65   7.699  -0.064   4.989
  571   2HG2  ILE  65          2HG2      ILE  65   8.555  -1.604   5.014
  572   3HG2  ILE  65          3HG2      ILE  65   8.682  -0.502   6.386
  573   1HD1  ILE  65          1HD1      ILE  65   5.797  -3.493   4.226
  574   2HD1  ILE  65          2HD1      ILE  65   7.128  -2.389   3.877
  575   3HD1  ILE  65          3HD1      ILE  65   5.541  -2.114   3.159
  576    H    ARG  66           H        ARG  66   7.353  -2.702   9.276
  577    HA   ARG  66           HA       ARG  66  10.020  -1.792   9.588
  578   1HB   ARG  66          2HB       ARG  66   8.048  -2.039  11.344
  579   2HB   ARG  66          1HB       ARG  66   8.800  -3.597  11.662
  580   1HG   ARG  66          2HG       ARG  66   9.984  -2.318  13.158
  581   2HG   ARG  66          1HG       ARG  66  11.004  -2.075  11.743
  582   1HD   ARG  66          2HD       ARG  66   9.310  -0.090  11.288
  583   2HD   ARG  66          1HD       ARG  66   9.033  -0.209  13.016
  584    HE   ARG  66           HE       ARG  66  11.269   1.044  11.747
  585   1HH1  ARG  66          1HH2      ARG  66  10.639  -1.240  14.154
  586   2HH1  ARG  66          2HH2      ARG  66  12.069  -0.861  15.081
  587   1HH2  ARG  66          1HH1      ARG  66  13.148   1.570  12.865
  588   2HH2  ARG  66          2HH1      ARG  66  13.477   0.760  14.364
  589    H    LYS  67           H        LYS  67   8.735  -5.129   9.705
  590    HA   LYS  67           HA       LYS  67  11.250  -6.402  10.226
  591   1HB   LYS  67          2HB       LYS  67   8.722  -7.417   8.892
  592   2HB   LYS  67          1HB       LYS  67  10.089  -8.452   9.301
  593   1HG   LYS  67          2HG       LYS  67   9.861  -7.801  11.681
  594   2HG   LYS  67          1HG       LYS  67   8.475  -6.792  11.266
  595   1HD   LYS  67          2HD       LYS  67   7.257  -8.766  10.444
  596   2HD   LYS  67          1HD       LYS  67   8.648  -9.788  10.805
  597   1HE   LYS  67          2HE       LYS  67   8.455  -9.211  13.199
  598   2HE   LYS  67          1HE       LYS  67   7.067  -8.185  12.841
  599   1HZ   LYS  67          1HZ       LYS  67   6.388 -10.521  11.676
  600   2HZ   LYS  67          2HZ       LYS  67   5.886 -10.026  13.222
  601   3HZ   LYS  67          3HZ       LYS  67   7.227 -11.056  13.049
  602    H    LEU  68           H        LEU  68   9.524  -5.787   7.148
  603    HA   LEU  68           HA       LEU  68  11.587  -6.917   5.479
  604   1HB   LEU  68          2HB       LEU  68   9.504  -4.797   4.869
  605   2HB   LEU  68          1HB       LEU  68  10.503  -5.594   3.657
  606    HG   LEU  68           HG       LEU  68   8.671  -7.093   5.551
  607   1HD1  LEU  68          1HD1      LEU  68   7.283  -7.319   3.381
  608   2HD1  LEU  68          2HD1      LEU  68   8.213  -5.938   2.799
  609   3HD1  LEU  68          3HD1      LEU  68   7.200  -5.777   4.233
  610   1HD2  LEU  68          1HD2      LEU  68  10.327  -7.800   3.126
  611   2HD2  LEU  68          2HD2      LEU  68   8.925  -8.771   3.574
  612   3HD2  LEU  68          3HD2      LEU  68  10.276  -8.604   4.695
  613    H    CYS  69           H        CYS  69  10.953  -3.651   6.720
  614    HA   CYS  69           HA       CYS  69  12.948  -2.268   5.237
  615   1HB   CYS  69          2HB       CYS  69  11.467  -1.796   7.781
  616   2HB   CYS  69          1HB       CYS  69  12.928  -0.843   7.516
  617    HG   CYS  69           HG       CYS  69  10.533  -0.853   5.495
  618    H    LYS  70           H        LYS  70  13.236  -4.557   7.782
  619    HA   LYS  70           HA       LYS  70  16.020  -3.688   8.385
  620   1HB   LYS  70          2HB       LYS  70  13.934  -5.199   9.833
  621   2HB   LYS  70          1HB       LYS  70  15.564  -5.847  10.000
  622   1HG   LYS  70          2HG       LYS  70  15.178  -4.231  11.783
  623   2HG   LYS  70          1HG       LYS  70  16.355  -3.563  10.652
  624   1HD   LYS  70          2HD       LYS  70  14.599  -2.247   9.560
  625   2HD   LYS  70          1HD       LYS  70  13.386  -2.946  10.635
  626   1HE   LYS  70          2HE       LYS  70  14.552  -1.973  12.585
  627   2HE   LYS  70          1HE       LYS  70  15.758  -1.267  11.508
  628   1HZ   LYS  70          1HZ       LYS  70  14.208   0.422  11.909
  629   2HZ   LYS  70          2HZ       LYS  70  12.878  -0.617  11.708
  630   3HZ   LYS  70          3HZ       LYS  70  13.813  -0.162  10.366
  631    H    GLU  71           H        GLU  71  14.158  -6.165   6.801
  632    HA   GLU  71           HA       GLU  71  16.124  -8.251   6.770
  633   1HB   GLU  71          2HB       GLU  71  13.769  -7.593   5.004
  634   2HB   GLU  71          1HB       GLU  71  14.827  -8.959   4.651
  635   1HG   GLU  71          2HG       GLU  71  14.371  -9.923   6.848
  636   2HG   GLU  71          1HG       GLU  71  13.397  -8.521   7.283
  637    H    HIS  72           H        HIS  72  15.257  -5.933   4.162
  638    HA   HIS  72           HA       HIS  72  17.584  -6.710   2.598
  639   1HB   HIS  72          2HB       HIS  72  16.882  -4.798   1.136
  640   2HB   HIS  72          1HB       HIS  72  15.594  -5.961   1.442
  641    HD1  HIS  72           1HD      HIS  72  16.794  -3.113   3.678
  642    HD2  HIS  72           2HD      HIS  72  13.356  -4.326   1.650
  643    HE1  HIS  72           1HE      HIS  72  14.958  -1.497   4.346
  644    HE2  HIS  72           2HE      HIS  72  12.862  -2.228   3.118
  645    H    ASN  73           H        ASN  73  17.415  -5.003   5.377
  646    HA   ASN  73           HA       ASN  73  18.663  -3.207   6.303
  647   1HB   ASN  73          2HB       ASN  73  20.663  -4.888   4.774
  648   2HB   ASN  73          1HB       ASN  73  21.142  -3.590   5.876
  649   1HD2  ASN  73          1HD2      ASN  73  19.219  -3.921   7.942
  650   2HD2  ASN  73          2HD2      ASN  73  19.427  -5.445   8.673
  651    H    VAL  74           H        VAL  74  17.410  -2.472   3.767
  652    HA   VAL  74           HA       VAL  74  19.485  -0.948   2.330
  653    HB   VAL  74           HB       VAL  74  16.533  -1.397   1.948
  654   1HG1  VAL  74          1HG1      VAL  74  18.276   0.746   0.738
  655   2HG1  VAL  74          2HG1      VAL  74  16.668   0.908   1.443
  656   3HG1  VAL  74          3HG1      VAL  74  16.870   0.115  -0.120
  657   1HG2  VAL  74          1HG2      VAL  74  18.831  -1.678   0.003
  658   2HG2  VAL  74          2HG2      VAL  74  17.224  -2.395  -0.111
  659   3HG2  VAL  74          3HG2      VAL  74  18.367  -2.975   1.102
  660    H    ASP  75           H        ASP  75  16.886  -0.404   4.645
  661    HA   ASP  75           HA       ASP  75  18.010   2.102   5.501
  662   1HB   ASP  75          2HB       ASP  75  16.256   3.625   4.735
  663   2HB   ASP  75          1HB       ASP  75  17.029   2.858   3.348
  664    H    GLU  76           H        GLU  76  15.969   3.339   6.740
  665    HA   GLU  76           HA       GLU  76  14.380   1.246   8.141
  666   1HB   GLU  76          2HB       GLU  76  16.227   3.258   9.456
  667   2HB   GLU  76          1HB       GLU  76  14.988   2.358  10.332
  668   1HG   GLU  76          2HG       GLU  76  16.019   0.236   9.668
  669   2HG   GLU  76          1HG       GLU  76  17.226   1.102   8.714
  670    H    ASN  77           H        ASN  77  14.799   4.488   9.367
  671    HA   ASN  77           HA       ASN  77  12.059   5.083   9.522
  672   1HB   ASN  77          2HB       ASN  77  12.868   7.529   9.519
  673   2HB   ASN  77          1HB       ASN  77  13.507   6.466  10.771
  674   1HD2  ASN  77          1HD2      ASN  77  14.467   8.740   8.501
  675   2HD2  ASN  77          2HD2      ASN  77  16.086   8.263   8.311
  676    H    ILE  78           H        ILE  78  14.324   5.999   6.898
  677    HA   ILE  78           HA       ILE  78  12.596   7.548   5.340
  678    HB   ILE  78           HB       ILE  78  14.511   5.462   4.257
  679   1HG1  ILE  78          2HG1      ILE  78  15.501   8.186   4.349
  680   2HG1  ILE  78          1HG1      ILE  78  15.052   7.638   5.965
  681   1HG2  ILE  78          1HG2      ILE  78  13.084   6.408   2.533
  682   2HG2  ILE  78          2HG2      ILE  78  14.686   7.130   2.386
  683   3HG2  ILE  78          3HG2      ILE  78  13.374   8.040   3.135
  684   1HD1  ILE  78          1HD1      ILE  78  17.436   7.106   5.295
  685   2HD1  ILE  78          2HD1      ILE  78  16.776   6.009   4.082
  686   3HD1  ILE  78          3HD1      ILE  78  16.482   5.709   5.794
  687    H    GLY  79           H        GLY  79  12.797   3.998   5.470
  688   1HA   GLY  79          2HA       GLY  79  10.962   3.435   3.380
  689   2HA   GLY  79          1HA       GLY  79  11.276   2.367   4.748
  690    H    ILE  80           H        ILE  80  10.295   3.635   6.901
  691    HA   ILE  80           HA       ILE  80   7.461   3.329   6.620
  692    HB   ILE  80           HB       ILE  80   9.149   4.575   8.797
  693   1HG1  ILE  80          2HG1      ILE  80   8.442   2.461   9.983
  694   2HG1  ILE  80          1HG1      ILE  80   7.729   1.917   8.464
  695   1HG2  ILE  80          1HG2      ILE  80   6.167   4.155   8.588
  696   2HG2  ILE  80          2HG2      ILE  80   7.033   5.617   9.061
  697   3HG2  ILE  80          3HG2      ILE  80   6.980   4.230  10.151
  698   1HD1  ILE  80          1HD1      ILE  80  10.593   2.837   8.529
  699   2HD1  ILE  80          2HD1      ILE  80   9.810   1.727   7.404
  700   3HD1  ILE  80          3HD1      ILE  80  10.183   1.200   9.045
  701    H    LYS  81           H        LYS  81   9.508   6.241   6.818
  702    HA   LYS  81           HA       LYS  81   7.468   8.193   6.936
  703   1HB   LYS  81          2HB       LYS  81   9.912   8.656   7.131
  704   2HB   LYS  81          1HB       LYS  81  10.066   8.404   5.394
  705   1HG   LYS  81          2HG       LYS  81   8.491  10.258   4.981
  706   2HG   LYS  81          1HG       LYS  81   8.311  10.493   6.719
  707   1HD   LYS  81          2HD       LYS  81  10.724  10.992   6.903
  708   2HD   LYS  81          1HD       LYS  81  10.899  10.781   5.160
  709   1HE   LYS  81          2HE       LYS  81   9.321  12.636   4.768
  710   2HE   LYS  81          1HE       LYS  81   9.116  12.836   6.509
  711   1HZ   LYS  81          1HZ       LYS  81  11.214  13.777   4.820
  712   2HZ   LYS  81          2HZ       LYS  81  11.825  12.869   6.118
  713   3HZ   LYS  81          3HZ       LYS  81  10.835  14.218   6.413
  714    H    ILE  82           H        ILE  82   8.616   6.316   4.181
  715    HA   ILE  82           HA       ILE  82   7.209   7.965   2.213
  716    HB   ILE  82           HB       ILE  82   8.546   5.257   2.045
  717   1HG1  ILE  82          2HG1      ILE  82   9.382   7.936   0.900
  718   2HG1  ILE  82          1HG1      ILE  82   9.951   7.334   2.457
  719   1HG2  ILE  82          1HG2      ILE  82   7.178   6.968  -0.041
  720   2HG2  ILE  82          2HG2      ILE  82   6.918   5.259   0.309
  721   3HG2  ILE  82          3HG2      ILE  82   8.410   5.781  -0.470
  722   1HD1  ILE  82          1HD1      ILE  82  11.056   5.479   1.453
  723   2HD1  ILE  82          2HD1      ILE  82  11.458   6.860   0.433
  724   3HD1  ILE  82          3HD1      ILE  82  10.220   5.716  -0.082
  725    H    PHE  83           H        PHE  83   6.654   4.789   3.742
  726    HA   PHE  83           HA       PHE  83   4.365   4.064   2.210
  727   1HB   PHE  83          2HB       PHE  83   5.488   3.290   4.870
  728   2HB   PHE  83          1HB       PHE  83   3.827   2.817   4.510
  729    HD1  PHE  83           1HD      PHE  83   3.387   1.609   2.271
  730    HD2  PHE  83           2HD      PHE  83   7.299   2.059   3.992
  731    HE1  PHE  83           1HE      PHE  83   4.225  -0.248   0.853
  732    HE2  PHE  83           2HE      PHE  83   8.133   0.202   2.577
  733    HZ   PHE  83           HZ       PHE  83   6.597  -0.952   1.008
  734    H    GLN  84           H        GLN  84   4.507   5.597   5.445
  735    HA   GLN  84           HA       GLN  84   1.797   5.966   5.936
  736   1HB   GLN  84          2HB       GLN  84   2.438   7.927   7.264
  737   2HB   GLN  84          1HB       GLN  84   3.631   6.648   7.474
  738   1HG   GLN  84          2HG       GLN  84   5.118   8.314   7.005
  739   2HG   GLN  84          1HG       GLN  84   4.682   7.963   5.330
  740   1HE2  GLN  84          1HE2      GLN  84   4.597  10.396   7.787
  741   2HE2  GLN  84          2HE2      GLN  84   3.642  11.522   6.943
  742    H    ARG  85           H        ARG  85   3.883   7.833   3.768
  743    HA   ARG  85           HA       ARG  85   1.947   9.858   3.121
  744   1HB   ARG  85          2HB       ARG  85   4.347   8.794   1.594
  745   2HB   ARG  85          1HB       ARG  85   3.394  10.177   1.063
  746   1HG   ARG  85          2HG       ARG  85   3.933  11.373   3.149
  747   2HG   ARG  85          1HG       ARG  85   4.845   9.977   3.733
  748   1HD   ARG  85          2HD       ARG  85   6.402  11.612   2.762
  749   2HD   ARG  85          1HD       ARG  85   6.354  10.185   1.760
  750    HE   ARG  85           HE       ARG  85   4.413  12.033   0.765
  751   1HH1  ARG  85          1HH2      ARG  85   7.819  11.630   1.192
  752   2HH1  ARG  85          2HH2      ARG  85   8.253  12.772  -0.039
  753   1HH2  ARG  85          1HH1      ARG  85   4.988  13.524  -0.910
  754   2HH2  ARG  85          2HH1      ARG  85   6.665  13.835  -1.212
  755    H    LEU  86           H        LEU  86   2.695   6.670   1.748
  756    HA   LEU  86           HA       LEU  86   0.902   6.865  -0.503
  757   1HB   LEU  86          2HB       LEU  86   1.892   4.408   0.975
  758   2HB   LEU  86          1HB       LEU  86   1.141   4.409  -0.619
  759    HG   LEU  86           HG       LEU  86   3.707   5.856   0.095
  760   1HD1  LEU  86          1HD1      LEU  86   4.884   4.117  -1.029
  761   2HD1  LEU  86          2HD1      LEU  86   3.395   3.422  -1.672
  762   3HD1  LEU  86          3HD1      LEU  86   3.755   3.295   0.049
  763   1HD2  LEU  86          1HD2      LEU  86   2.026   5.620  -2.381
  764   2HD2  LEU  86          2HD2      LEU  86   3.773   5.803  -2.538
  765   3HD2  LEU  86          3HD2      LEU  86   2.827   7.042  -1.712
  766    H    ILE  87           H        ILE  87   0.499   5.873   2.861
  767    HA   ILE  87           HA       ILE  87  -2.060   4.612   2.578
  768    HB   ILE  87           HB       ILE  87  -0.986   6.113   4.984
  769   1HG1  ILE  87          2HG1      ILE  87   0.658   4.472   4.252
  770   2HG1  ILE  87          1HG1      ILE  87  -0.161   3.852   5.686
  771   1HG2  ILE  87          1HG2      ILE  87  -3.344   5.571   5.196
  772   2HG2  ILE  87          2HG2      ILE  87  -2.417   4.471   6.217
  773   3HG2  ILE  87          3HG2      ILE  87  -3.048   3.914   4.666
  774   1HD1  ILE  87          1HD1      ILE  87  -1.784   2.737   3.960
  775   2HD1  ILE  87          2HD1      ILE  87  -0.210   2.000   4.254
  776   3HD1  ILE  87          3HD1      ILE  87  -0.464   2.991   2.818
  777    H    GLU  88           H        GLU  88  -1.139   7.980   3.299
  778    HA   GLU  88           HA       GLU  88  -3.773   9.004   3.677
  779   1HB   GLU  88          2HB       GLU  88  -1.257  10.314   2.604
  780   2HB   GLU  88          1HB       GLU  88  -2.727  11.201   3.005
  781   1HG   GLU  88          2HG       GLU  88  -2.586  10.449   5.331
  782   2HG   GLU  88          1HG       GLU  88  -1.172   9.466   4.947
  783    H    HIS  89           H        HIS  89  -1.761   8.786   0.737
  784    HA   HIS  89           HA       HIS  89  -3.706   9.916  -1.036
  785   1HB   HIS  89          2HB       HIS  89  -2.042   9.651  -2.533
  786   2HB   HIS  89          1HB       HIS  89  -1.084   8.961  -1.229
  787    HD1  HIS  89           1HD      HIS  89  -2.256   6.223  -0.858
  788    HD2  HIS  89           2HD      HIS  89  -1.701   7.896  -4.639
  789    HE1  HIS  89           1HE      HIS  89  -2.092   4.285  -2.483
  790    HE2  HIS  89           2HE      HIS  89  -1.755   5.293  -4.786
  791    H    ASN  90           H        ASN  90  -3.312   6.729   0.330
  792    HA   ASN  90           HA       ASN  90  -4.975   5.271  -1.508
  793   1HB   ASN  90          2HB       ASN  90  -3.403   4.319   0.273
  794   2HB   ASN  90          1HB       ASN  90  -4.651   4.711   1.455
  795   1HD2  ASN  90          1HD2      ASN  90  -6.857   3.674   1.045
  796   2HD2  ASN  90          2HD2      ASN  90  -6.903   2.159   0.280
  797    H    LYS  91           H        LYS  91  -5.645   6.986   1.547
  798    HA   LYS  91           HA       LYS  91  -8.469   6.380   1.595
  799   1HB   LYS  91          2HB       LYS  91  -6.860   8.614   2.885
  800   2HB   LYS  91          1HB       LYS  91  -8.560   8.295   3.229
  801   1HG   LYS  91          2HG       LYS  91  -7.985   6.020   3.995
  802   2HG   LYS  91          1HG       LYS  91  -6.285   6.329   3.644
  803   1HD   LYS  91          2HD       LYS  91  -6.305   8.207   5.271
  804   2HD   LYS  91          1HD       LYS  91  -7.986   7.839   5.654
  805   1HE   LYS  91          2HE       LYS  91  -7.327   5.582   6.406
  806   2HE   LYS  91          1HE       LYS  91  -5.645   5.941   6.016
  807   1HZ   LYS  91          1HZ       LYS  91  -7.135   6.636   8.332
  808   2HZ   LYS  91          2HZ       LYS  91  -6.502   8.028   7.593
  809   3HZ   LYS  91          3HZ       LYS  91  -5.467   6.762   8.054
  810    H    ALA  92           H        ALA  92  -6.584   9.173   0.481
  811    HA   ALA  92           HA       ALA  92  -8.545  10.986  -0.214
  812   1HB   ALA  92          1HB       ALA  92  -6.071  11.266  -0.563
  813   2HB   ALA  92          2HB       ALA  92  -7.059  11.834  -1.909
  814   3HB   ALA  92          3HB       ALA  92  -6.226  10.285  -2.021
  815    H    LEU  93           H        LEU  93  -7.275   8.637  -2.626
  816    HA   LEU  93           HA       LEU  93  -9.477   9.203  -4.405
  817   1HB   LEU  93          2HB       LEU  93  -8.344   7.948  -5.950
  818   2HB   LEU  93          1HB       LEU  93  -7.021   8.288  -4.847
  819    HG   LEU  93           HG       LEU  93  -6.911   5.962  -5.360
  820   1HD1  LEU  93          1HD1      LEU  93  -6.521   5.407  -3.225
  821   2HD1  LEU  93          2HD1      LEU  93  -8.248   5.377  -2.876
  822   3HD1  LEU  93          3HD1      LEU  93  -7.349   6.887  -2.741
  823   1HD2  LEU  93          1HD2      LEU  93  -8.701   4.694  -5.849
  824   2HD2  LEU  93          2HD2      LEU  93  -9.659   6.169  -5.729
  825   3HD2  LEU  93          3HD2      LEU  93  -9.500   5.106  -4.332
  826    H    GLN  94           H        GLN  94  -9.061   6.964  -1.803
  827    HA   GLN  94           HA       GLN  94 -11.066   5.044  -2.609
  828   1HB   GLN  94          2HB       GLN  94  -9.489   5.670  -0.207
  829   2HB   GLN  94          1HB       GLN  94 -11.103   5.058   0.154
  830   1HG   GLN  94          2HG       GLN  94 -10.720   3.107  -1.277
  831   2HG   GLN  94          1HG       GLN  94  -9.121   3.715  -1.715
  832   1HE2  GLN  94          1HE2      GLN  94  -9.464   4.651   1.432
  833   2HE2  GLN  94          2HE2      GLN  94  -8.767   3.302   2.212
  834    H    LYS  95           H        LYS  95 -11.187   7.684  -0.192
  835    HA   LYS  95           HA       LYS  95 -14.028   7.579   0.156
  836   1HB   LYS  95          2HB       LYS  95 -12.042   9.823   0.653
  837   2HB   LYS  95          1HB       LYS  95 -13.725   9.865   1.173
  838   1HG   LYS  95          2HG       LYS  95 -13.354   7.818   2.519
  839   2HG   LYS  95          1HG       LYS  95 -11.662   7.803   2.016
  840   1HD   LYS  95          2HD       LYS  95 -11.333  10.027   3.040
  841   2HD   LYS  95          1HD       LYS  95 -13.022  10.046   3.543
  842   1HE   LYS  95          2HE       LYS  95 -12.633   8.025   4.914
  843   2HE   LYS  95          1HE       LYS  95 -10.939   8.024   4.425
  844   1HZ   LYS  95          1HZ       LYS  95 -12.237  10.328   5.767
  845   2HZ   LYS  95          2HZ       LYS  95 -10.577  10.079   5.508
  846   3HZ   LYS  95          3HZ       LYS  95 -11.421   9.105   6.614
  847    H    GLN  96           H        GLN  96 -11.955   9.598  -1.927
  848    HA   GLN  96           HA       GLN  96 -14.081  11.224  -2.961
  849   1HB   GLN  96          2HB       GLN  96 -11.368  10.492  -4.098
  850   2HB   GLN  96          1HB       GLN  96 -12.444  11.681  -4.832
  851   1HG   GLN  96          2HG       GLN  96 -11.459  11.829  -1.967
  852   2HG   GLN  96          1HG       GLN  96 -10.714  12.691  -3.312
  853   1HE2  GLN  96          1HE2      GLN  96 -12.301  14.159  -4.593
  854   2HE2  GLN  96          2HE2      GLN  96 -13.494  14.966  -3.694
  855    H    TYR  97           H        TYR  97 -12.659   8.159  -4.019
  856    HA   TYR  97           HA       TYR  97 -14.061   7.952  -6.510
  857   1HB   TYR  97          2HB       TYR  97 -12.161   6.526  -6.111
  858   2HB   TYR  97          1HB       TYR  97 -12.892   5.870  -4.647
  859    HD1  TYR  97           1HD      TYR  97 -14.286   3.961  -4.746
  860    HD2  TYR  97           2HD      TYR  97 -13.373   6.124  -8.343
  861    HE1  TYR  97           1HE      TYR  97 -15.400   2.198  -6.088
  862    HE2  TYR  97           2HE      TYR  97 -14.485   4.359  -9.686
  863    HH   TYR  97           HH       TYR  97 -15.360   2.287  -9.633
  864    H    LEU  98           H        LEU  98 -14.775   6.495  -3.314
  865    HA   LEU  98           HA       LEU  98 -17.222   5.256  -4.078
  866   1HB   LEU  98          2HB       LEU  98 -16.273   6.302  -1.399
  867   2HB   LEU  98          1HB       LEU  98 -17.765   5.388  -1.601
  868    HG   LEU  98           HG       LEU  98 -15.012   4.386  -2.400
  869   1HD1  LEU  98          1HD1      LEU  98 -14.991   4.443  -0.035
  870   2HD1  LEU  98          2HD1      LEU  98 -15.528   2.804  -0.405
  871   3HD1  LEU  98          3HD1      LEU  98 -16.701   4.029   0.076
  872   1HD2  LEU  98          1HD2      LEU  98 -16.489   3.139  -3.703
  873   2HD2  LEU  98          2HD2      LEU  98 -17.804   3.286  -2.536
  874   3HD2  LEU  98          3HD2      LEU  98 -16.469   2.176  -2.226
  875    H    GLU  99           H        GLU  99 -16.553   8.513  -2.811
  876    HA   GLU  99           HA       GLU  99 -19.290   9.352  -2.586
  877   1HB   GLU  99          2HB       GLU  99 -16.707  10.881  -2.957
  878   2HB   GLU  99          1HB       GLU  99 -18.268  11.680  -2.766
  879   1HG   GLU  99          2HG       GLU  99 -18.598  10.604  -0.597
  880   2HG   GLU  99          1HG       GLU  99 -17.098   9.697  -0.793
  881    H    GLU 100           H        GLU 100 -16.937   9.546  -5.241
  882    HA   GLU 100           HA       GLU 100 -18.669  11.083  -6.967
  883   1HB   GLU 100          2HB       GLU 100 -16.909  11.082  -8.407
  884   2HB   GLU 100          1HB       GLU 100 -16.030  10.491  -7.001
  885   1HG   GLU 100          2HG       GLU 100 -15.449   8.944  -8.666
  886   2HG   GLU 100          1HG       GLU 100 -16.763   8.126  -7.821
  887    H    THR 101           H        THR 101 -18.571   7.743  -6.128
  888    HA   THR 101           HA       THR 101 -19.966   6.880  -8.580
  889    HB   THR 101           HB       THR 101 -20.174   4.708  -7.194
  890    HG1  THR 101           1HG      THR 101 -19.518   6.194  -5.283
  891   1HG2  THR 101          1HG2      THR 101 -17.464   5.865  -7.896
  892   2HG2  THR 101          2HG2      THR 101 -18.532   4.978  -8.982
  893   3HG2  THR 101          3HG2      THR 101 -17.781   4.154  -7.614
  894    H    LEU 102           H        LEU 102 -20.715   7.842  -5.293
  895    HA   LEU 102           HA       LEU 102 -23.441   6.843  -5.292
  896   1HB   LEU 102          2HB       LEU 102 -22.080   8.988  -3.628
  897   2HB   LEU 102          1HB       LEU 102 -23.720   8.408  -3.340
  898    HG   LEU 102           HG       LEU 102 -21.287   6.603  -3.393
  899   1HD1  LEU 102          1HD1      LEU 102 -22.804   7.664  -0.992
  900   2HD1  LEU 102          2HD1      LEU 102 -21.235   8.275  -1.518
  901   3HD1  LEU 102          3HD1      LEU 102 -21.394   6.608  -0.964
  902   1HD2  LEU 102          1HD2      LEU 102 -24.222   6.266  -2.858
  903   2HD2  LEU 102          2HD2      LEU 102 -23.078   5.235  -1.999
  904   3HD2  LEU 102          3HD2      LEU 102 -23.127   5.220  -3.762
  905    H    GLU 103           H        GLU 103 -21.864   9.770  -6.402
  906    HA   GLU 103           HA       GLU 103 -24.129  11.490  -6.633
  907   1HB   GLU 103          2HB       GLU 103 -21.607  11.263  -8.302
  908   2HB   GLU 103          1HB       GLU 103 -22.771  12.574  -8.469
  909   1HG   GLU 103          2HG       GLU 103 -22.407  13.241  -6.148
  910   2HG   GLU 103          1HG       GLU 103 -21.314  11.876  -5.903
  911    H    HIS 104           H        HIS 104 -22.646   9.280  -8.978
  912    HA   HIS 104           HA       HIS 104 -24.781   9.679 -10.952
  913   1HB   HIS 104          2HB       HIS 104 -22.406   7.781 -10.793
  914   2HB   HIS 104          1HB       HIS 104 -23.564   7.745 -12.121
  915    HD1  HIS 104           1HD      HIS 104 -20.883   9.914 -10.582
  916    HD2  HIS 104           2HD      HIS 104 -23.330   9.897 -13.962
  917    HE1  HIS 104           1HE      HIS 104 -20.078  11.809 -12.062
  918    HE2  HIS 104           2HE      HIS 104 -21.560  11.809 -14.119
  919    H2   TSA 501           1H2      TSA 501  -4.488  -0.433   4.869
  920    H3   TSA 501           1H3      TSA 501  -6.665  -0.477   6.073
  921    H4   TSA 501           4H       TSA 501  -8.569   0.818   5.177
  922    HO5  TSA 501           HO5      TSA 501  -7.104   1.808   6.795
  923    H5   TSA 501           5H       TSA 501  -7.997   2.893   3.679
  924   1H6   TSA 501          1H6       TSA 501  -5.914   2.658   2.290
  925   2H6   TSA 501          2H6       TSA 501  -5.457   2.755   3.931
  926    H8   TSA 501           8H       TSA 501  -7.996  -0.141   1.045
  927   1H9   TSA 501          1H9       TSA 501  -5.678  -1.011   1.909
  928   2H9   TSA 501          2H9       TSA 501  -5.727   0.375   0.989
  Start of MODEL    7
    1   1H    MET   1          1HT       MET   1 -15.999 -16.353   1.940
    2   2H    MET   1          2HT       MET   1 -14.611 -15.793   1.137
    3   3H    MET   1          3HT       MET   1 -16.045 -16.072   0.269
    4    HA   MET   1           HA       MET   1 -16.538 -13.934   0.536
    5   1HB   MET   1          2HB       MET   1 -16.662 -14.825   3.441
    6   2HB   MET   1          1HB       MET   1 -17.285 -13.281   2.857
    7   1HG   MET   1          2HG       MET   1 -19.171 -14.713   2.853
    8   2HG   MET   1          1HG       MET   1 -18.651 -14.670   1.169
    9   1HE   MET   1          1HE       MET   1 -19.465 -17.390   4.127
   10   2HE   MET   1          2HE       MET   1 -18.282 -16.139   4.495
   11   3HE   MET   1          3HE       MET   1 -17.758 -17.812   4.324
   12    H    ILE   2           H        ILE   2 -15.765 -11.804   1.382
   13    HA   ILE   2           HA       ILE   2 -13.987 -10.309   1.755
   14    HB   ILE   2           HB       ILE   2 -13.305 -12.460   3.797
   15   1HG1  ILE   2          2HG1      ILE   2 -14.780  -9.837   4.198
   16   2HG1  ILE   2          1HG1      ILE   2 -15.611 -11.366   3.917
   17   1HG2  ILE   2          1HG2      ILE   2 -11.367 -11.162   3.699
   18   2HG2  ILE   2          2HG2      ILE   2 -12.306 -10.297   4.915
   19   3HG2  ILE   2          3HG2      ILE   2 -12.247  -9.697   3.259
   20   1HD1  ILE   2          1HD1      ILE   2 -14.460 -12.331   5.904
   21   2HD1  ILE   2          2HD1      ILE   2 -15.465 -10.944   6.329
   22   3HD1  ILE   2          3HD1      ILE   2 -13.714 -10.763   6.209
   23    H    GLU   3           H        GLU   3 -13.570 -13.202   0.286
   24    HA   GLU   3           HA       GLU   3 -10.713 -13.555   0.287
   25   1HB   GLU   3          2HB       GLU   3 -12.847 -14.346  -1.722
   26   2HB   GLU   3          1HB       GLU   3 -11.157 -14.827  -1.862
   27   1HG   GLU   3          2HG       GLU   3 -11.274 -15.960   0.314
   28   2HG   GLU   3          1HG       GLU   3 -12.949 -15.443   0.509
   29    H    LYS   4           H        LYS   4 -12.935 -11.701  -1.772
   30    HA   LYS   4           HA       LYS   4 -11.101 -10.895  -3.782
   31   1HB   LYS   4          2HB       LYS   4 -13.481  -9.420  -2.609
   32   2HB   LYS   4          1HB       LYS   4 -12.659  -8.951  -4.097
   33   1HG   LYS   4          2HG       LYS   4 -14.154 -10.321  -5.131
   34   2HG   LYS   4          1HG       LYS   4 -13.145 -11.633  -4.524
   35   1HD   LYS   4          2HD       LYS   4 -15.275 -12.238  -3.750
   36   2HD   LYS   4          1HD       LYS   4 -14.583 -11.414  -2.354
   37   1HE   LYS   4          2HE       LYS   4 -15.748  -9.351  -2.936
   38   2HE   LYS   4          1HE       LYS   4 -16.354 -10.077  -4.424
   39   1HZ   LYS   4          1HZ       LYS   4 -17.381 -10.275  -1.777
   40   2HZ   LYS   4          2HZ       LYS   4 -17.077 -11.817  -2.424
   41   3HZ   LYS   4          3HZ       LYS   4 -18.098 -10.734  -3.244
   42    H    LEU   5           H        LEU   5 -11.872  -9.382  -0.650
   43    HA   LEU   5           HA       LEU   5 -10.172  -7.093  -0.918
   44   1HB   LEU   5          2HB       LEU   5 -11.961  -7.358   0.803
   45   2HB   LEU   5          1HB       LEU   5 -10.994  -8.598   1.593
   46    HG   LEU   5           HG       LEU   5  -9.581  -6.040   1.122
   47   1HD1  LEU   5          1HD1      LEU   5 -11.678  -5.039   1.707
   48   2HD1  LEU   5          2HD1      LEU   5 -10.738  -5.074   3.198
   49   3HD1  LEU   5          3HD1      LEU   5 -12.003  -6.271   2.927
   50   1HD2  LEU   5          1HD2      LEU   5  -9.991  -7.637   3.666
   51   2HD2  LEU   5          2HD2      LEU   5  -8.674  -6.527   3.290
   52   3HD2  LEU   5          3HD2      LEU   5  -8.786  -8.076   2.455
   53    H    ALA   6           H        ALA   6  -9.592 -10.390   0.226
   54    HA   ALA   6           HA       ALA   6  -6.970  -9.927   1.290
   55   1HB   ALA   6          1HB       ALA   6  -6.732 -12.348   1.246
   56   2HB   ALA   6          2HB       ALA   6  -8.066 -12.492   0.102
   57   3HB   ALA   6          3HB       ALA   6  -8.374 -11.951   1.753
   58    H    GLU   7           H        GLU   7  -7.854 -11.567  -1.775
   59    HA   GLU   7           HA       GLU   7  -5.289 -11.716  -2.870
   60   1HB   GLU   7          2HB       GLU   7  -7.926 -11.237  -4.290
   61   2HB   GLU   7          1HB       GLU   7  -6.425 -11.656  -5.119
   62   1HG   GLU   7          2HG       GLU   7  -6.290 -13.760  -3.874
   63   2HG   GLU   7          1HG       GLU   7  -7.736 -13.335  -2.957
   64    H    ILE   8           H        ILE   8  -7.506  -8.964  -2.879
   65    HA   ILE   8           HA       ILE   8  -6.032  -7.303  -4.670
   66    HB   ILE   8           HB       ILE   8  -7.933  -6.691  -2.399
   67   1HG1  ILE   8          2HG1      ILE   8  -8.210  -6.273  -5.391
   68   2HG1  ILE   8          1HG1      ILE   8  -8.733  -7.745  -4.573
   69   1HG2  ILE   8          1HG2      ILE   8  -7.853  -4.385  -3.819
   70   2HG2  ILE   8          2HG2      ILE   8  -6.169  -4.889  -3.962
   71   3HG2  ILE   8          3HG2      ILE   8  -6.887  -4.654  -2.368
   72   1HD1  ILE   8          1HD1      ILE   8 -10.245  -6.421  -3.143
   73   2HD1  ILE   8          2HD1      ILE   8 -10.615  -6.158  -4.848
   74   3HD1  ILE   8          3HD1      ILE   8  -9.711  -4.944  -3.943
   75    H    ARG   9           H        ARG   9  -5.956  -7.522  -1.105
   76    HA   ARG   9           HA       ARG   9  -3.860  -5.569  -0.769
   77   1HB   ARG   9          2HB       ARG   9  -4.840  -7.809   1.039
   78   2HB   ARG   9          1HB       ARG   9  -3.654  -6.604   1.532
   79   1HG   ARG   9          2HG       ARG   9  -5.461  -4.872   0.757
   80   2HG   ARG   9          1HG       ARG   9  -6.575  -6.227   0.878
   81   1HD   ARG   9          2HD       ARG   9  -5.823  -6.575   3.257
   82   2HD   ARG   9          1HD       ARG   9  -4.836  -5.123   3.110
   83    HE   ARG   9           HE       ARG   9  -7.409  -4.302   2.374
   84   1HH1  ARG   9          1HH2      ARG   9  -6.146  -6.170   4.957
   85   2HH1  ARG   9          2HH2      ARG   9  -6.957  -5.277   6.206
   86   1HH2  ARG   9          1HH1      ARG   9  -8.640  -3.217   3.973
   87   2HH2  ARG   9          2HH1      ARG   9  -8.339  -3.568   5.640
   88    H    LYS  10           H        LYS  10  -3.892  -8.913  -1.678
   89    HA   LYS  10           HA       LYS  10  -1.170  -9.584  -0.980
   90   1HB   LYS  10          2HB       LYS  10  -2.976 -11.243  -1.574
   91   2HB   LYS  10          1HB       LYS  10  -2.859 -10.693  -3.244
   92   1HG   LYS  10          2HG       LYS  10  -0.463 -11.333  -3.272
   93   2HG   LYS  10          1HG       LYS  10  -0.618 -11.937  -1.623
   94   1HD   LYS  10          2HD       LYS  10  -2.424 -12.935  -3.824
   95   2HD   LYS  10          1HD       LYS  10  -0.835 -13.651  -3.554
   96   1HE   LYS  10          2HE       LYS  10  -1.513 -13.985  -1.131
   97   2HE   LYS  10          1HE       LYS  10  -3.146 -13.511  -1.598
   98   1HZ   LYS  10          1HZ       LYS  10  -3.305 -15.341  -3.066
   99   2HZ   LYS  10          2HZ       LYS  10  -2.695 -15.958  -1.605
  100   3HZ   LYS  10          3HZ       LYS  10  -1.655 -15.705  -2.924
  101    H    LYS  11           H        LYS  11  -2.712  -8.155  -3.853
  102    HA   LYS  11           HA       LYS  11  -0.425  -8.093  -5.561
  103   1HB   LYS  11          2HB       LYS  11  -2.569  -5.948  -5.421
  104   2HB   LYS  11          1HB       LYS  11  -1.592  -6.394  -6.818
  105   1HG   LYS  11          2HG       LYS  11  -2.690  -8.780  -6.412
  106   2HG   LYS  11          1HG       LYS  11  -3.933  -7.821  -5.609
  107   1HD   LYS  11          2HD       LYS  11  -4.183  -6.435  -7.642
  108   2HD   LYS  11          1HD       LYS  11  -2.948  -7.401  -8.447
  109   1HE   LYS  11          2HE       LYS  11  -4.362  -9.424  -8.142
  110   2HE   LYS  11          1HE       LYS  11  -5.614  -8.416  -7.416
  111   1HZ   LYS  11          1HZ       LYS  11  -4.874  -8.728 -10.185
  112   2HZ   LYS  11          2HZ       LYS  11  -5.081  -7.111  -9.708
  113   3HZ   LYS  11          3HZ       LYS  11  -6.345  -8.228  -9.506
  114    H    ILE  12           H        ILE  12  -1.593  -5.793  -3.100
  115    HA   ILE  12           HA       ILE  12   0.374  -3.766  -3.499
  116    HB   ILE  12           HB       ILE  12  -0.823  -4.559  -0.825
  117   1HG1  ILE  12          2HG1      ILE  12  -2.695  -4.411  -2.325
  118   2HG1  ILE  12          1HG1      ILE  12  -2.626  -2.871  -1.470
  119   1HG2  ILE  12          1HG2      ILE  12  -0.282  -1.774  -1.825
  120   2HG2  ILE  12          2HG2      ILE  12   1.039  -2.744  -1.171
  121   3HG2  ILE  12          3HG2      ILE  12  -0.359  -2.365  -0.165
  122   1HD1  ILE  12          1HD1      ILE  12  -1.174  -2.071  -3.473
  123   2HD1  ILE  12          2HD1      ILE  12  -2.913  -2.235  -3.724
  124   3HD1  ILE  12          3HD1      ILE  12  -1.816  -3.486  -4.308
  125    H    ASP  13           H        ASP  13   0.393  -6.757  -1.601
  126    HA   ASP  13           HA       ASP  13   2.781  -6.418  -0.138
  127   1HB   ASP  13          2HB       ASP  13   1.135  -8.357  -0.012
  128   2HB   ASP  13          1HB       ASP  13   1.914  -9.003  -1.456
  129    H    GLU  14           H        GLU  14   2.330  -7.654  -3.455
  130    HA   GLU  14           HA       GLU  14   5.101  -8.134  -4.002
  131   1HB   GLU  14          2HB       GLU  14   2.825  -7.419  -5.882
  132   2HB   GLU  14          1HB       GLU  14   4.403  -8.006  -6.400
  133   1HG   GLU  14          2HG       GLU  14   2.538  -9.520  -4.547
  134   2HG   GLU  14          1HG       GLU  14   2.686  -9.821  -6.279
  135    H    ILE  15           H        ILE  15   3.146  -5.231  -3.985
  136    HA   ILE  15           HA       ILE  15   5.165  -3.627  -5.409
  137    HB   ILE  15           HB       ILE  15   2.516  -3.030  -4.092
  138   1HG1  ILE  15          2HG1      ILE  15   2.242  -1.981  -6.469
  139   2HG1  ILE  15          1HG1      ILE  15   3.654  -2.951  -6.886
  140   1HG2  ILE  15          1HG2      ILE  15   3.725  -1.123  -3.427
  141   2HG2  ILE  15          2HG2      ILE  15   3.023  -0.631  -4.967
  142   3HG2  ILE  15          3HG2      ILE  15   4.713  -1.127  -4.889
  143   1HD1  ILE  15          1HD1      ILE  15   1.581  -4.175  -7.394
  144   2HD1  ILE  15          2HD1      ILE  15   1.059  -4.004  -5.719
  145   3HD1  ILE  15          3HD1      ILE  15   2.474  -4.983  -6.106
  146    H    ASP  16           H        ASP  16   3.878  -3.913  -2.097
  147    HA   ASP  16           HA       ASP  16   5.314  -1.915  -0.785
  148   1HB   ASP  16          2HB       ASP  16   4.598  -4.716   0.121
  149   2HB   ASP  16          1HB       ASP  16   5.290  -3.507   1.202
  150    H    ASN  17           H        ASN  17   6.434  -5.291  -1.264
  151    HA   ASN  17           HA       ASN  17   9.094  -4.834  -0.291
  152   1HB   ASN  17          2HB       ASN  17   7.950  -7.078  -0.630
  153   2HB   ASN  17          1HB       ASN  17   8.282  -6.884  -2.353
  154   1HD2  ASN  17          1HD2      ASN  17   9.931  -8.514  -2.546
  155   2HD2  ASN  17          2HD2      ASN  17  11.400  -8.440  -1.676
  156    H    LYS  18           H        LYS  18   7.659  -4.596  -3.518
  157    HA   LYS  18           HA       LYS  18  10.058  -4.313  -5.015
  158   1HB   LYS  18          2HB       LYS  18   7.730  -4.665  -5.930
  159   2HB   LYS  18          1HB       LYS  18   7.404  -2.966  -5.598
  160   1HG   LYS  18          2HG       LYS  18   9.256  -2.309  -7.097
  161   2HG   LYS  18          1HG       LYS  18   9.601  -4.009  -7.419
  162   1HD   LYS  18          2HD       LYS  18   7.259  -4.266  -8.290
  163   2HD   LYS  18          1HD       LYS  18   7.041  -2.527  -8.101
  164   1HE   LYS  18          2HE       LYS  18   9.254  -3.756  -9.769
  165   2HE   LYS  18          1HE       LYS  18   7.701  -3.254 -10.435
  166   1HZ   LYS  18          1HZ       LYS  18   8.724  -1.177  -8.844
  167   2HZ   LYS  18          2HZ       LYS  18   8.426  -1.179 -10.516
  168   3HZ   LYS  18          3HZ       LYS  18   9.939  -1.670  -9.920
  169    H    ILE  19           H        ILE  19   8.027  -1.824  -3.450
  170    HA   ILE  19           HA       ILE  19   9.653   0.380  -4.357
  171    HB   ILE  19           HB       ILE  19   7.347   0.745  -3.669
  172   1HG1  ILE  19          2HG1      ILE  19   9.457   2.353  -3.055
  173   2HG1  ILE  19          1HG1      ILE  19   7.775   2.809  -2.793
  174   1HG2  ILE  19          1HG2      ILE  19   6.841   0.619  -1.170
  175   2HG2  ILE  19          2HG2      ILE  19   8.328  -0.317  -1.012
  176   3HG2  ILE  19          3HG2      ILE  19   7.003  -0.922  -2.008
  177   1HD1  ILE  19          1HD1      ILE  19   9.337   3.123  -0.799
  178   2HD1  ILE  19          2HD1      ILE  19   9.413   1.365  -0.702
  179   3HD1  ILE  19          3HD1      ILE  19   7.872   2.192  -0.480
  180    H    LEU  20           H        LEU  20   9.804  -1.763  -1.580
  181    HA   LEU  20           HA       LEU  20  11.645  -0.177  -0.021
  182   1HB   LEU  20          2HB       LEU  20  10.931  -3.113  -0.076
  183   2HB   LEU  20          1HB       LEU  20  12.204  -2.505   0.978
  184    HG   LEU  20           HG       LEU  20   9.368  -1.425   0.971
  185   1HD1  LEU  20          1HD1      LEU  20   9.202  -3.685   1.717
  186   2HD1  LEU  20          2HD1      LEU  20   9.271  -2.711   3.186
  187   3HD1  LEU  20          3HD1      LEU  20  10.706  -3.573   2.631
  188   1HD2  LEU  20          1HD2      LEU  20  11.865  -0.914   2.556
  189   2HD2  LEU  20          2HD2      LEU  20  10.310  -0.805   3.380
  190   3HD2  LEU  20          3HD2      LEU  20  10.647   0.230   1.992
  191    H    LYS  21           H        LYS  21  11.997  -2.528  -2.632
  192    HA   LYS  21           HA       LYS  21  14.942  -2.515  -2.382
  193   1HB   LYS  21          2HB       LYS  21  13.763  -4.634  -2.952
  194   2HB   LYS  21          1HB       LYS  21  13.164  -3.881  -4.428
  195   1HG   LYS  21          2HG       LYS  21  15.458  -3.562  -5.233
  196   2HG   LYS  21          1HG       LYS  21  16.094  -4.250  -3.739
  197   1HD   LYS  21          2HD       LYS  21  14.944  -6.392  -4.246
  198   2HD   LYS  21          1HD       LYS  21  14.352  -5.703  -5.758
  199   1HE   LYS  21          2HE       LYS  21  17.294  -5.904  -5.053
  200   2HE   LYS  21          1HE       LYS  21  16.437  -7.112  -6.008
  201   1HZ   LYS  21          1HZ       LYS  21  15.767  -4.760  -7.194
  202   2HZ   LYS  21          2HZ       LYS  21  16.955  -5.841  -7.746
  203   3HZ   LYS  21          3HZ       LYS  21  17.392  -4.517  -6.774
  204    H    ALA  22           H        ALA  22  15.714  -0.523  -3.040
  205    HA   ALA  22           HA       ALA  22  15.218   0.190  -5.884
  206   1HB   ALA  22          1HB       ALA  22  14.949   2.585  -5.255
  207   2HB   ALA  22          2HB       ALA  22  14.973   2.120  -3.555
  208   3HB   ALA  22          3HB       ALA  22  13.659   1.577  -4.599
  209    H    ARG  23           H        ARG  23  17.507  -1.063  -4.869
  210    HA   ARG  23           HA       ARG  23  19.604   0.756  -4.112
  211   1HB   ARG  23          2HB       ARG  23  19.677  -1.995  -5.408
  212   2HB   ARG  23          1HB       ARG  23  21.132  -1.129  -4.926
  213   1HG   ARG  23          2HG       ARG  23  20.394  -1.081  -2.598
  214   2HG   ARG  23          1HG       ARG  23  18.855  -1.827  -3.033
  215   1HD   ARG  23          2HD       ARG  23  20.355  -3.518  -2.063
  216   2HD   ARG  23          1HD       ARG  23  20.143  -3.874  -3.785
  217    HE   ARG  23           HE       ARG  23  22.450  -2.263  -3.687
  218   1HH1  ARG  23          1HH2      ARG  23  21.314  -5.168  -2.166
  219   2HH1  ARG  23          2HH2      ARG  23  22.876  -5.917  -2.095
  220   1HH2  ARG  23          1HH1      ARG  23  24.519  -3.252  -3.581
  221   2HH2  ARG  23          2HH1      ARG  23  24.684  -4.834  -2.890
  222    H    TRP  24           H        TRP  24  18.545  -0.550  -7.264
  223    HA   TRP  24           HA       TRP  24  20.276   1.506  -8.594
  224   1HB   TRP  24          2HB       TRP  24  20.237  -1.253  -8.977
  225   2HB   TRP  24          1HB       TRP  24  19.252  -0.642 -10.303
  226    HD1  TRP  24           HD       TRP  24  22.724   0.046  -8.717
  227    HE1  TRP  24           1HE      TRP  24  24.326   0.753 -10.613
  228    HE3  TRP  24           3HE      TRP  24  19.467   0.083 -12.639
  229    HZ2  TRP  24           2HZ      TRP  24  24.228   1.266 -13.433
  230    HZ3  TRP  24           3HZ      TRP  24  20.238   0.682 -14.914
  231    HH2  TRP  24           HH       TRP  24  22.611   1.273 -15.317
  232    HA   PRO  25           HA       PRO  25  15.908   1.202 -10.879
  233   1HB   PRO  25          2HB       PRO  25  14.294   0.437  -8.494
  234   2HB   PRO  25          1HB       PRO  25  14.130  -0.081 -10.183
  235   1HG   PRO  25          2HG       PRO  25  15.117  -1.737  -8.390
  236   2HG   PRO  25          1HG       PRO  25  15.836  -1.637 -10.008
  237   1HD   PRO  25          2HD       PRO  25  16.840  -0.434  -7.432
  238   2HD   PRO  25          1HD       PRO  25  17.752  -1.272  -8.707
  239    H    TRP  26           H        TRP  26  14.787   3.135 -11.057
  240    HA   TRP  26           HA       TRP  26  14.983   4.997  -8.749
  241   1HB   TRP  26          2HB       TRP  26  14.156   5.705 -11.569
  242   2HB   TRP  26          1HB       TRP  26  14.761   6.782 -10.309
  243    HD1  TRP  26           HD       TRP  26  17.226   5.019  -9.348
  244    HE1  TRP  26           1HE      TRP  26  19.297   4.812 -10.873
  245    HE3  TRP  26           3HE      TRP  26  15.139   6.262 -13.835
  246    HZ2  TRP  26           2HZ      TRP  26  19.975   5.132 -13.637
  247    HZ3  TRP  26           3HZ      TRP  26  16.515   6.306 -15.896
  248    HH2  TRP  26           HH       TRP  26  18.928   5.745 -15.803
  249    H    ALA  27           H        ALA  27  12.774   2.924 -10.169
  250    HA   ALA  27           HA       ALA  27  10.443   2.712  -9.983
  251   1HB   ALA  27          1HB       ALA  27  11.179   3.037  -7.549
  252   2HB   ALA  27          2HB       ALA  27   9.493   3.403  -7.914
  253   3HB   ALA  27          3HB       ALA  27  10.660   4.712  -7.731
  254    H    GLU  28           H        GLU  28   9.732   3.700 -11.872
  255    HA   GLU  28           HA       GLU  28   9.707   6.516 -12.370
  256   1HB   GLU  28          2HB       GLU  28   7.952   4.305 -13.495
  257   2HB   GLU  28          1HB       GLU  28   8.031   5.946 -14.137
  258   1HG   GLU  28          2HG       GLU  28  10.417   4.091 -13.882
  259   2HG   GLU  28          1HG       GLU  28   9.514   4.358 -15.374
  260    H    LYS  29           H        LYS  29   7.056   4.327 -11.327
  261    HA   LYS  29           HA       LYS  29   5.973   6.240  -9.468
  262   1HB   LYS  29          2HB       LYS  29   5.326   7.366 -11.601
  263   2HB   LYS  29          1HB       LYS  29   4.446   5.914 -12.077
  264   1HG   LYS  29          2HG       LYS  29   2.984   6.131 -10.107
  265   2HG   LYS  29          1HG       LYS  29   3.876   7.562  -9.592
  266   1HD   LYS  29          2HD       LYS  29   3.239   8.712 -11.696
  267   2HD   LYS  29          1HD       LYS  29   2.323   7.288 -12.189
  268   1HE   LYS  29          2HE       LYS  29   0.860   7.532 -10.217
  269   2HE   LYS  29          1HE       LYS  29   1.791   8.936  -9.694
  270   1HZ   LYS  29          1HZ       LYS  29  -0.364   9.266 -11.070
  271   2HZ   LYS  29          2HZ       LYS  29   0.627   8.889 -12.398
  272   3HZ   LYS  29          3HZ       LYS  29   0.996  10.220 -11.409
  273    H    LEU  30           H        LEU  30   5.751   4.465  -8.077
  274    HA   LEU  30           HA       LEU  30   4.195   2.128  -9.012
  275   1HB   LEU  30          2HB       LEU  30   5.589   2.624  -6.362
  276   2HB   LEU  30          1HB       LEU  30   4.804   1.119  -6.832
  277    HG   LEU  30           HG       LEU  30   7.136   2.382  -8.307
  278   1HD1  LEU  30          1HD1      LEU  30   8.510   0.668  -7.287
  279   2HD1  LEU  30          2HD1      LEU  30   7.098  -0.081  -6.544
  280   3HD1  LEU  30          3HD1      LEU  30   7.649   1.500  -5.990
  281   1HD2  LEU  30          1HD2      LEU  30   5.501  -0.127  -8.661
  282   2HD2  LEU  30          2HD2      LEU  30   7.179  -0.081  -9.200
  283   3HD2  LEU  30          3HD2      LEU  30   6.002   1.042  -9.883
  284    H    ILE  31           H        ILE  31   3.528   5.120  -7.745
  285    HA   ILE  31           HA       ILE  31   1.601   4.570  -5.700
  286    HB   ILE  31           HB       ILE  31   1.800   6.876  -7.662
  287   1HG1  ILE  31          2HG1      ILE  31   2.485   6.762  -4.707
  288   2HG1  ILE  31          1HG1      ILE  31   3.676   6.484  -5.976
  289   1HG2  ILE  31          1HG2      ILE  31  -0.005   6.391  -5.285
  290   2HG2  ILE  31          2HG2      ILE  31  -0.463   6.856  -6.924
  291   3HG2  ILE  31          3HG2      ILE  31   0.352   8.014  -5.874
  292   1HD1  ILE  31          1HD1      ILE  31   3.826   8.808  -5.350
  293   2HD1  ILE  31          2HD1      ILE  31   2.080   9.012  -5.484
  294   3HD1  ILE  31          3HD1      ILE  31   3.049   8.745  -6.932
  295    H    ALA  32           H        ALA  32   1.281   4.919  -9.224
  296    HA   ALA  32           HA       ALA  32  -1.455   4.855  -9.593
  297   1HB   ALA  32          1HB       ALA  32  -1.048   3.665 -11.700
  298   2HB   ALA  32          2HB       ALA  32   0.544   3.167 -11.129
  299   3HB   ALA  32          3HB       ALA  32   0.211   4.871 -11.433
  300    H    GLU  33           H        GLU  33   0.498   1.841  -9.518
  301    HA   GLU  33           HA       GLU  33  -1.605   0.001  -9.367
  302   1HB   GLU  33          2HB       GLU  33   1.115  -0.101  -8.019
  303   2HB   GLU  33          1HB       GLU  33   0.024  -1.480  -8.142
  304   1HG   GLU  33          2HG       GLU  33   0.098  -1.377 -10.582
  305   2HG   GLU  33          1HG       GLU  33   1.096   0.076 -10.516
  306    H    ARG  34           H        ARG  34   0.077   1.558  -6.626
  307    HA   ARG  34           HA       ARG  34  -1.483   0.416  -4.552
  308   1HB   ARG  34          2HB       ARG  34   0.569   1.651  -4.060
  309   2HB   ARG  34          1HB       ARG  34  -0.138   3.131  -4.706
  310   1HG   ARG  34          2HG       ARG  34  -0.256   3.130  -2.227
  311   2HG   ARG  34          1HG       ARG  34  -1.879   3.080  -2.939
  312   1HD   ARG  34          2HD       ARG  34  -2.246   0.895  -2.062
  313   2HD   ARG  34          1HD       ARG  34  -0.611   0.415  -2.449
  314    HE   ARG  34           HE       ARG  34  -0.502   2.251  -0.292
  315   1HH1  ARG  34          1HH2      ARG  34  -2.051  -0.489  -1.220
  316   2HH1  ARG  34          2HH2      ARG  34  -2.181  -1.342   0.274
  317   1HH2  ARG  34          1HH1      ARG  34  -0.486   1.173   1.975
  318   2HH2  ARG  34          2HH1      ARG  34  -1.240  -0.389   2.135
  319    H    ASN  35           H        ASN  35  -1.967   3.451  -6.375
  320    HA   ASN  35           HA       ASN  35  -4.390   4.172  -5.035
  321   1HB   ASN  35          2HB       ASN  35  -3.163   5.774  -6.318
  322   2HB   ASN  35          1HB       ASN  35  -3.407   4.840  -7.803
  323   1HD2  ASN  35          1HD2      ASN  35  -4.470   7.600  -6.478
  324   2HD2  ASN  35          2HD2      ASN  35  -6.112   7.548  -6.952
  325    H    SER  36           H        SER  36  -3.793   2.300  -7.982
  326    HA   SER  36           HA       SER  36  -6.360   1.931  -8.956
  327   1HB   SER  36          2HB       SER  36  -4.263  -0.235  -8.613
  328   2HB   SER  36          1HB       SER  36  -5.619  -0.285  -9.736
  329    HG   SER  36           HG       SER  36  -3.353   0.575 -10.358
  330    H    LEU  37           H        LEU  37  -5.069  -0.813  -7.138
  331    HA   LEU  37           HA       LEU  37  -7.382  -1.988  -6.284
  332   1HB   LEU  37          2HB       LEU  37  -4.874  -1.526  -4.642
  333   2HB   LEU  37          1HB       LEU  37  -6.173  -2.595  -4.132
  334    HG   LEU  37           HG       LEU  37  -4.499  -3.967  -5.162
  335   1HD1  LEU  37          1HD1      LEU  37  -7.028  -4.127  -5.918
  336   2HD1  LEU  37          2HD1      LEU  37  -5.794  -5.138  -6.670
  337   3HD1  LEU  37          3HD1      LEU  37  -6.356  -3.678  -7.485
  338   1HD2  LEU  37          1HD2      LEU  37  -4.645  -2.362  -7.706
  339   2HD2  LEU  37          2HD2      LEU  37  -3.414  -3.518  -7.201
  340   3HD2  LEU  37          3HD2      LEU  37  -3.506  -1.935  -6.427
  341    H    ALA  38           H        ALA  38  -5.846   0.835  -4.751
  342    HA   ALA  38           HA       ALA  38  -7.315   1.185  -2.454
  343   1HB   ALA  38          1HB       ALA  38  -5.580   2.760  -3.708
  344   2HB   ALA  38          2HB       ALA  38  -6.694   3.420  -2.508
  345   3HB   ALA  38          3HB       ALA  38  -7.051   3.582  -4.228
  346    H    LYS  39           H        LYS  39  -8.389   2.222  -5.693
  347    HA   LYS  39           HA       LYS  39 -10.987   3.117  -4.834
  348   1HB   LYS  39          2HB       LYS  39 -11.227   3.709  -7.018
  349   2HB   LYS  39          1HB       LYS  39  -9.522   3.288  -7.152
  350   1HG   LYS  39          2HG       LYS  39 -10.047   1.083  -7.965
  351   2HG   LYS  39          1HG       LYS  39 -11.752   1.282  -7.567
  352   1HD   LYS  39          2HD       LYS  39 -11.180   1.584 -10.028
  353   2HD   LYS  39          1HD       LYS  39 -12.059   2.922  -9.292
  354   1HE   LYS  39          2HE       LYS  39 -10.112   4.271  -9.147
  355   2HE   LYS  39          1HE       LYS  39  -9.040   2.897  -9.410
  356   1HZ   LYS  39          1HZ       LYS  39 -10.527   4.487 -11.334
  357   2HZ   LYS  39          2HZ       LYS  39 -10.490   2.815 -11.635
  358   3HZ   LYS  39          3HZ       LYS  39  -9.040   3.690 -11.503
  359    H    ASP  40           H        ASP  40  -9.912   0.119  -6.457
  360    HA   ASP  40           HA       ASP  40 -12.431  -1.163  -6.573
  361   1HB   ASP  40          2HB       ASP  40  -9.630  -2.287  -6.313
  362   2HB   ASP  40          1HB       ASP  40 -11.050  -3.305  -6.554
  363    H    VAL  41           H        VAL  41  -9.964  -1.235  -4.002
  364    HA   VAL  41           HA       VAL  41 -11.312  -3.020  -2.237
  365    HB   VAL  41           HB       VAL  41  -9.450  -0.700  -1.653
  366   1HG1  VAL  41          1HG1      VAL  41 -10.494  -1.059   0.412
  367   2HG1  VAL  41          2HG1      VAL  41  -9.110  -2.150   0.497
  368   3HG1  VAL  41          3HG1      VAL  41 -10.710  -2.784   0.112
  369   1HG2  VAL  41          1HG2      VAL  41  -9.071  -3.677  -2.039
  370   2HG2  VAL  41          2HG2      VAL  41  -7.856  -2.667  -1.256
  371   3HG2  VAL  41          3HG2      VAL  41  -8.308  -2.363  -2.933
  372    H    ALA  42           H        ALA  42 -11.461   0.530  -2.526
  373    HA   ALA  42           HA       ALA  42 -13.129   1.187  -0.394
  374   1HB   ALA  42          1HB       ALA  42 -13.386   3.177  -1.468
  375   2HB   ALA  42          2HB       ALA  42 -13.927   2.419  -2.965
  376   3HB   ALA  42          3HB       ALA  42 -12.204   2.517  -2.596
  377    H    GLU  43           H        GLU  43 -14.137  -0.011  -3.607
  378    HA   GLU  43           HA       GLU  43 -16.930  -0.062  -3.218
  379   1HB   GLU  43          2HB       GLU  43 -14.992  -1.354  -4.976
  380   2HB   GLU  43          1HB       GLU  43 -16.349  -2.419  -4.618
  381   1HG   GLU  43          2HG       GLU  43 -16.735   0.454  -5.490
  382   2HG   GLU  43          1HG       GLU  43 -16.633  -0.876  -6.643
  383    H    ILE  44           H        ILE  44 -14.741  -2.883  -2.802
  384    HA   ILE  44           HA       ILE  44 -16.503  -4.639  -1.544
  385    HB   ILE  44           HB       ILE  44 -13.625  -4.245  -0.681
  386   1HG1  ILE  44          2HG1      ILE  44 -13.620  -4.364  -3.103
  387   2HG1  ILE  44          1HG1      ILE  44 -13.110  -5.932  -2.482
  388   1HG2  ILE  44          1HG2      ILE  44 -15.573  -6.552  -0.611
  389   2HG2  ILE  44          2HG2      ILE  44 -14.703  -5.816   0.735
  390   3HG2  ILE  44          3HG2      ILE  44 -13.832  -6.785  -0.453
  391   1HD1  ILE  44          1HD1      ILE  44 -15.621  -6.577  -2.669
  392   2HD1  ILE  44          2HD1      ILE  44 -14.676  -6.490  -4.156
  393   3HD1  ILE  44          3HD1      ILE  44 -15.750  -5.162  -3.712
  394    H    LYS  45           H        LYS  45 -14.738  -1.915  -0.094
  395    HA   LYS  45           HA       LYS  45 -15.338  -2.465   2.645
  396   1HB   LYS  45          2HB       LYS  45 -14.932   0.186   1.220
  397   2HB   LYS  45          1HB       LYS  45 -14.968  -0.005   2.971
  398   1HG   LYS  45          2HG       LYS  45 -13.063  -1.655   1.319
  399   2HG   LYS  45          1HG       LYS  45 -12.658   0.009   1.737
  400   1HD   LYS  45          2HD       LYS  45 -13.241  -0.658   4.165
  401   2HD   LYS  45          1HD       LYS  45 -13.131  -2.321   3.590
  402   1HE   LYS  45          2HE       LYS  45 -10.969  -1.674   4.486
  403   2HE   LYS  45          1HE       LYS  45 -10.827  -1.822   2.735
  404   1HZ   LYS  45          1HZ       LYS  45 -10.014   0.306   4.119
  405   2HZ   LYS  45          2HZ       LYS  45 -11.591   0.798   3.718
  406   3HZ   LYS  45          3HZ       LYS  45 -10.493   0.373   2.493
  407    H    ASN  46           H        ASN  46 -17.063  -0.548   0.189
  408    HA   ASN  46           HA       ASN  46 -19.232   0.313   1.838
  409   1HB   ASN  46          2HB       ASN  46 -18.759   1.260  -0.394
  410   2HB   ASN  46          1HB       ASN  46 -19.185  -0.280  -1.138
  411   1HD2  ASN  46          1HD2      ASN  46 -21.162   0.116  -2.159
  412   2HD2  ASN  46          2HD2      ASN  46 -22.513   0.811  -1.400
  413    H    GLN  47           H        GLN  47 -18.690  -2.638  -0.056
  414    HA   GLN  47           HA       GLN  47 -21.353  -3.714   0.481
  415   1HB   GLN  47          2HB       GLN  47 -20.767  -5.235  -1.091
  416   2HB   GLN  47          1HB       GLN  47 -19.278  -4.318  -1.303
  417   1HG   GLN  47          2HG       GLN  47 -18.249  -5.675   0.545
  418   2HG   GLN  47          1HG       GLN  47 -19.706  -6.664   0.562
  419   1HE2  GLN  47          1HE2      GLN  47 -17.345  -7.976  -0.047
  420   2HE2  GLN  47          2HE2      GLN  47 -17.286  -8.361  -1.698
  421    H    LEU  48           H        LEU  48 -18.463  -3.390   2.278
  422    HA   LEU  48           HA       LEU  48 -19.038  -5.745   4.006
  423   1HB   LEU  48          2HB       LEU  48 -16.780  -3.726   3.921
  424   2HB   LEU  48          1HB       LEU  48 -16.970  -4.856   5.258
  425    HG   LEU  48           HG       LEU  48 -16.829  -5.771   2.374
  426   1HD1  LEU  48          1HD1      LEU  48 -14.740  -4.662   2.736
  427   2HD1  LEU  48          2HD1      LEU  48 -14.426  -6.372   3.034
  428   3HD1  LEU  48          3HD1      LEU  48 -14.631  -5.265   4.390
  429   1HD2  LEU  48          1HD2      LEU  48 -15.945  -7.846   3.684
  430   2HD2  LEU  48          2HD2      LEU  48 -17.678  -7.521   3.723
  431   3HD2  LEU  48          3HD2      LEU  48 -16.665  -7.071   5.095
  432    H    GLY  49           H        GLY  49 -19.955  -2.529   3.713
  433   1HA   GLY  49          2HA       GLY  49 -21.091  -1.059   5.140
  434   2HA   GLY  49          1HA       GLY  49 -21.510  -2.488   6.080
  435    H    ILE  50           H        ILE  50 -18.463  -0.670   5.470
  436    HA   ILE  50           HA       ILE  50 -18.278  -0.143   8.372
  437    HB   ILE  50           HB       ILE  50 -15.767  -0.938   8.144
  438   1HG1  ILE  50          2HG1      ILE  50 -15.612  -3.002   6.771
  439   2HG1  ILE  50          1HG1      ILE  50 -17.224  -2.687   6.131
  440   1HG2  ILE  50          1HG2      ILE  50 -16.444  -3.090   9.105
  441   2HG2  ILE  50          2HG2      ILE  50 -18.078  -2.870   8.477
  442   3HG2  ILE  50          3HG2      ILE  50 -17.463  -1.793   9.730
  443   1HD1  ILE  50          1HD1      ILE  50 -15.154  -0.533   5.929
  444   2HD1  ILE  50          2HD1      ILE  50 -16.508  -0.878   4.854
  445   3HD1  ILE  50          3HD1      ILE  50 -15.065  -1.892   4.810
  446    HA   PRO  51           HA       PRO  51 -16.464   3.687   7.248
  447   1HB   PRO  51          2HB       PRO  51 -14.258   3.032   9.160
  448   2HB   PRO  51          1HB       PRO  51 -15.284   4.478   9.077
  449   1HG   PRO  51          2HG       PRO  51 -15.734   2.691  10.940
  450   2HG   PRO  51          1HG       PRO  51 -17.096   3.397  10.052
  451   1HD   PRO  51          2HD       PRO  51 -15.839   0.684   9.701
  452   2HD   PRO  51          1HD       PRO  51 -17.558   1.135   9.692
  453    H    ILE  52           H        ILE  52 -15.004   4.499   5.773
  454    HA   ILE  52           HA       ILE  52 -13.370   2.707   4.234
  455    HB   ILE  52           HB       ILE  52 -13.208   5.731   4.364
  456   1HG1  ILE  52          2HG1      ILE  52 -14.908   4.024   2.521
  457   2HG1  ILE  52          1HG1      ILE  52 -15.534   4.796   3.978
  458   1HG2  ILE  52          1HG2      ILE  52 -12.559   5.336   1.914
  459   2HG2  ILE  52          2HG2      ILE  52 -12.350   3.643   2.358
  460   3HG2  ILE  52          3HG2      ILE  52 -11.360   4.885   3.125
  461   1HD1  ILE  52          1HD1      ILE  52 -15.467   5.964   1.476
  462   2HD1  ILE  52          2HD1      ILE  52 -14.018   6.619   2.238
  463   3HD1  ILE  52          3HD1      ILE  52 -15.590   6.847   3.000
  464    H    ASN  53           H        ASN  53 -12.606   5.157   6.695
  465    HA   ASN  53           HA       ASN  53  -9.756   4.746   6.534
  466   1HB   ASN  53          2HB       ASN  53 -11.078   6.710   7.578
  467   2HB   ASN  53          1HB       ASN  53 -11.080   5.711   9.032
  468   1HD2  ASN  53          1HD2      ASN  53  -8.593   4.511   8.996
  469   2HD2  ASN  53          2HD2      ASN  53  -7.376   5.705   8.996
  470    H    ASP  54           H        ASP  54  -8.468   3.337   7.655
  471    HA   ASP  54           HA       ASP  54  -9.535   1.814   9.938
  472   1HB   ASP  54          2HB       ASP  54  -8.498   0.304   7.534
  473   2HB   ASP  54          1HB       ASP  54  -9.332  -0.344   8.948
  474    HA   PRO  55           HA       PRO  55  -5.042   3.065  10.190
  475   1HB   PRO  55          2HB       PRO  55  -5.160   3.125  12.967
  476   2HB   PRO  55          1HB       PRO  55  -5.491   4.519  11.917
  477   1HG   PRO  55          2HG       PRO  55  -7.413   2.587  13.141
  478   2HG   PRO  55          1HG       PRO  55  -7.495   4.356  13.071
  479   1HD   PRO  55          2HD       PRO  55  -8.961   2.952  11.374
  480   2HD   PRO  55          1HD       PRO  55  -8.058   4.356  10.761
  481    H    GLU  56           H        GLU  56  -6.554   1.009  12.699
  482    HA   GLU  56           HA       GLU  56  -4.668  -0.690  13.527
  483   1HB   GLU  56          2HB       GLU  56  -7.270  -1.640  12.271
  484   2HB   GLU  56          1HB       GLU  56  -6.269  -2.599  13.358
  485   1HG   GLU  56          2HG       GLU  56  -7.853  -1.700  14.830
  486   2HG   GLU  56          1HG       GLU  56  -6.528  -0.547  14.974
  487    H    ARG  57           H        ARG  57  -6.282  -1.358  10.411
  488    HA   ARG  57           HA       ARG  57  -4.490  -3.308   9.451
  489   1HB   ARG  57          2HB       ARG  57  -6.724  -1.932   8.469
  490   2HB   ARG  57          1HB       ARG  57  -5.433  -1.497   7.347
  491   1HG   ARG  57          2HG       ARG  57  -5.955  -4.364   8.193
  492   2HG   ARG  57          1HG       ARG  57  -6.775  -3.646   6.810
  493   1HD   ARG  57          2HD       ARG  57  -3.735  -3.629   7.011
  494   2HD   ARG  57          1HD       ARG  57  -4.608  -4.972   6.292
  495    HE   ARG  57           HE       ARG  57  -5.587  -2.694   4.990
  496   1HH1  ARG  57          1HH2      ARG  57  -2.416  -3.646   5.810
  497   2HH1  ARG  57          2HH2      ARG  57  -1.814  -3.531   4.173
  498   1HH2  ARG  57          1HH1      ARG  57  -4.795  -2.237   2.907
  499   2HH2  ARG  57          2HH1      ARG  57  -3.181  -2.732   2.511
  500    H    GLU  58           H        GLU  58  -4.402   0.237   9.047
  501    HA   GLU  58           HA       GLU  58  -2.001   0.342   7.489
  502   1HB   GLU  58          2HB       GLU  58  -3.123   2.408   9.417
  503   2HB   GLU  58          1HB       GLU  58  -1.947   2.721   8.142
  504   1HG   GLU  58          2HG       GLU  58  -3.562   2.186   6.427
  505   2HG   GLU  58          1HG       GLU  58  -4.720   1.609   7.627
  506    H    LYS  59           H        LYS  59  -2.599   0.315  10.983
  507    HA   LYS  59           HA       LYS  59   0.059   0.868  11.859
  508   1HB   LYS  59          2HB       LYS  59  -2.368  -0.392  13.025
  509   2HB   LYS  59          1HB       LYS  59  -0.841  -0.844  13.778
  510   1HG   LYS  59          2HG       LYS  59  -1.751   1.114  14.917
  511   2HG   LYS  59          1HG       LYS  59  -0.293   1.573  14.038
  512   1HD   LYS  59          2HD       LYS  59  -1.712   2.373  12.151
  513   2HD   LYS  59          1HD       LYS  59  -3.148   2.000  13.106
  514   1HE   LYS  59          2HE       LYS  59  -2.306   3.553  14.885
  515   2HE   LYS  59          1HE       LYS  59  -0.978   3.999  13.815
  516   1HZ   LYS  59          1HZ       LYS  59  -3.787   4.717  13.682
  517   2HZ   LYS  59          2HZ       LYS  59  -3.063   4.331  12.193
  518   3HZ   LYS  59          3HZ       LYS  59  -2.420   5.573  13.157
  519    H    TYR  60           H        TYR  60  -1.569  -2.209  11.092
  520    HA   TYR  60           HA       TYR  60   0.527  -4.002  11.712
  521   1HB   TYR  60          2HB       TYR  60  -1.674  -4.829  11.156
  522   2HB   TYR  60          1HB       TYR  60  -1.609  -4.092   9.559
  523    HD1  TYR  60           1HD      TYR  60  -0.224  -6.786  11.700
  524    HD2  TYR  60           2HD      TYR  60  -0.458  -5.164   7.728
  525    HE1  TYR  60           1HE      TYR  60   0.832  -8.841  10.797
  526    HE2  TYR  60           2HE      TYR  60   0.591  -7.223   6.826
  527    HH   TYR  60           HH       TYR  60   1.306  -9.281   7.294
  528    H    ILE  61           H        ILE  61  -0.019  -2.040   8.808
  529    HA   ILE  61           HA       ILE  61   2.017  -3.180   7.165
  530    HB   ILE  61           HB       ILE  61   0.910  -0.363   7.306
  531   1HG1  ILE  61          2HG1      ILE  61  -0.725  -2.098   6.667
  532   2HG1  ILE  61          1HG1      ILE  61  -0.353  -1.054   5.298
  533   1HG2  ILE  61          1HG2      ILE  61   2.796  -1.652   5.325
  534   2HG2  ILE  61          2HG2      ILE  61   3.068  -0.193   6.277
  535   3HG2  ILE  61          3HG2      ILE  61   1.885  -0.185   4.968
  536   1HD1  ILE  61          1HD1      ILE  61  -0.114  -3.083   4.243
  537   2HD1  ILE  61          2HD1      ILE  61   0.315  -3.922   5.735
  538   3HD1  ILE  61          3HD1      ILE  61   1.520  -2.944   4.897
  539    H    TYR  62           H        TYR  62   2.109  -0.509   9.524
  540    HA   TYR  62           HA       TYR  62   4.769   0.359   9.131
  541   1HB   TYR  62          2HB       TYR  62   3.279   0.138  11.768
  542   2HB   TYR  62          1HB       TYR  62   4.675   1.164  11.455
  543    HD1  TYR  62           1HD      TYR  62   1.997   2.158  12.462
  544    HD2  TYR  62           2HD      TYR  62   3.549   1.714   8.480
  545    HE1  TYR  62           1HE      TYR  62   0.457   3.931  11.665
  546    HE2  TYR  62           2HE      TYR  62   2.010   3.493   7.685
  547    HH   TYR  62           HH       TYR  62   0.574   5.653   9.543
  548    H    ASP  63           H        ASP  63   3.538  -2.180  11.316
  549    HA   ASP  63           HA       ASP  63   6.148  -2.989  12.251
  550   1HB   ASP  63          2HB       ASP  63   3.881  -3.431  13.356
  551   2HB   ASP  63          1HB       ASP  63   3.664  -4.722  12.176
  552    H    ARG  64           H        ARG  64   4.062  -4.022   9.572
  553    HA   ARG  64           HA       ARG  64   5.588  -6.387   8.880
  554   1HB   ARG  64          2HB       ARG  64   3.224  -5.989   8.147
  555   2HB   ARG  64          1HB       ARG  64   3.794  -4.679   7.121
  556   1HG   ARG  64          2HG       ARG  64   5.155  -7.317   6.788
  557   2HG   ARG  64          1HG       ARG  64   3.501  -7.207   6.196
  558   1HD   ARG  64          2HD       ARG  64   5.142  -4.910   5.440
  559   2HD   ARG  64          1HD       ARG  64   5.764  -6.422   4.824
  560    HE   ARG  64           HE       ARG  64   3.551  -5.004   3.689
  561   1HH1  ARG  64          1HH2      ARG  64   4.620  -7.987   4.961
  562   2HH1  ARG  64          2HH2      ARG  64   3.716  -8.986   3.877
  563   1HH2  ARG  64          1HH1      ARG  64   2.220  -6.332   2.225
  564   2HH2  ARG  64          2HH1      ARG  64   2.432  -8.057   2.263
  565    H    ILE  65           H        ILE  65   5.564  -3.039   7.633
  566    HA   ILE  65           HA       ILE  65   7.531  -3.409   5.603
  567    HB   ILE  65           HB       ILE  65   6.840  -0.967   7.260
  568   1HG1  ILE  65          2HG1      ILE  65   4.989  -1.767   5.860
  569   2HG1  ILE  65          1HG1      ILE  65   5.641  -0.271   5.197
  570   1HG2  ILE  65          1HG2      ILE  65   7.941   0.222   5.249
  571   2HG2  ILE  65          2HG2      ILE  65   8.699  -1.335   4.914
  572   3HG2  ILE  65          3HG2      ILE  65   9.004  -0.518   6.445
  573   1HD1  ILE  65          1HD1      ILE  65   5.531  -1.549   3.268
  574   2HD1  ILE  65          2HD1      ILE  65   5.829  -3.058   4.130
  575   3HD1  ILE  65          3HD1      ILE  65   7.163  -1.952   3.806
  576    H    ARG  66           H        ARG  66   7.864  -2.491   9.045
  577    HA   ARG  66           HA       ARG  66  10.652  -2.015   9.097
  578   1HB   ARG  66          2HB       ARG  66   8.816  -3.205  11.203
  579   2HB   ARG  66          1HB       ARG  66  10.517  -2.863  11.511
  580   1HG   ARG  66          2HG       ARG  66  10.179  -0.486  10.989
  581   2HG   ARG  66          1HG       ARG  66   8.496  -0.787  10.567
  582   1HD   ARG  66          2HD       ARG  66   8.060  -1.491  12.880
  583   2HD   ARG  66          1HD       ARG  66   9.719  -1.259  13.318
  584    HE   ARG  66           HE       ARG  66   8.628   1.231  12.313
  585   1HH1  ARG  66          1HH2      ARG  66   8.845  -0.893  14.968
  586   2HH1  ARG  66          2HH2      ARG  66   7.723  -0.003  15.992
  587   1HH2  ARG  66          1HH1      ARG  66   7.408   2.634  13.717
  588   2HH2  ARG  66          2HH1      ARG  66   6.902   2.025  15.257
  589    H    LYS  67           H        LYS  67   8.871  -5.083   9.232
  590    HA   LYS  67           HA       LYS  67  11.102  -6.773   9.811
  591   1HB   LYS  67          2HB       LYS  67   8.722  -7.497   9.942
  592   2HB   LYS  67          1HB       LYS  67   8.621  -7.430   8.183
  593   1HG   LYS  67          2HG       LYS  67  10.384  -9.151   8.008
  594   2HG   LYS  67          1HG       LYS  67  10.516  -9.202   9.766
  595   1HD   LYS  67          2HD       LYS  67   8.140  -9.914   9.915
  596   2HD   LYS  67          1HD       LYS  67   8.035  -9.898   8.156
  597   1HE   LYS  67          2HE       LYS  67  10.033 -11.588   9.686
  598   2HE   LYS  67          1HE       LYS  67   8.459 -12.186   9.166
  599   1HZ   LYS  67          1HZ       LYS  67   9.711 -10.921   6.995
  600   2HZ   LYS  67          2HZ       LYS  67   9.288 -12.558   7.159
  601   3HZ   LYS  67          3HZ       LYS  67  10.814 -12.016   7.674
  602    H    LEU  68           H        LEU  68   9.623  -5.925   6.659
  603    HA   LEU  68           HA       LEU  68  11.683  -7.233   5.107
  604   1HB   LEU  68          2HB       LEU  68   9.726  -5.031   4.377
  605   2HB   LEU  68          1HB       LEU  68  10.752  -5.867   3.218
  606    HG   LEU  68           HG       LEU  68   8.696  -7.229   4.991
  607   1HD1  LEU  68          1HD1      LEU  68   7.793  -5.658   3.213
  608   2HD1  LEU  68          2HD1      LEU  68   7.296  -7.340   3.026
  609   3HD1  LEU  68          3HD1      LEU  68   8.580  -6.681   2.012
  610   1HD2  LEU  68          1HD2      LEU  68   9.106  -9.018   3.112
  611   2HD2  LEU  68          2HD2      LEU  68  10.265  -8.886   4.434
  612   3HD2  LEU  68          3HD2      LEU  68  10.627  -8.158   2.869
  613    H    CYS  69           H        CYS  69  11.209  -3.961   6.366
  614    HA   CYS  69           HA       CYS  69  13.277  -2.630   4.925
  615   1HB   CYS  69          2HB       CYS  69  11.456  -1.653   6.503
  616   2HB   CYS  69          1HB       CYS  69  12.608  -1.985   7.797
  617    HG   CYS  69           HG       CYS  69  12.790   0.346   5.930
  618    H    LYS  70           H        LYS  70  13.361  -4.203   8.142
  619    HA   LYS  70           HA       LYS  70  16.175  -3.798   8.571
  620   1HB   LYS  70          2HB       LYS  70  14.032  -5.494   9.757
  621   2HB   LYS  70          1HB       LYS  70  15.689  -6.038  10.016
  622   1HG   LYS  70          2HG       LYS  70  15.013  -4.576  11.854
  623   2HG   LYS  70          1HG       LYS  70  16.259  -3.780  10.892
  624   1HD   LYS  70          2HD       LYS  70  14.460  -2.558   9.651
  625   2HD   LYS  70          1HD       LYS  70  13.272  -3.285  10.730
  626   1HE   LYS  70          2HE       LYS  70  15.587  -1.545  11.633
  627   2HE   LYS  70          1HE       LYS  70  13.921  -0.996  11.462
  628   1HZ   LYS  70          1HZ       LYS  70  13.556  -1.724  13.510
  629   2HZ   LYS  70          2HZ       LYS  70  15.118  -2.388  13.610
  630   3HZ   LYS  70          3HZ       LYS  70  13.837  -3.311  12.982
  631    H    GLU  71           H        GLU  71  14.316  -6.257   6.855
  632    HA   GLU  71           HA       GLU  71  16.243  -8.317   6.677
  633   1HB   GLU  71          2HB       GLU  71  13.985  -7.427   4.901
  634   2HB   GLU  71          1HB       GLU  71  15.077  -8.693   4.342
  635   1HG   GLU  71          2HG       GLU  71  13.671  -8.792   7.026
  636   2HG   GLU  71          1HG       GLU  71  13.017  -9.534   5.567
  637    H    HIS  72           H        HIS  72  15.549  -5.996   4.044
  638    HA   HIS  72           HA       HIS  72  18.195  -6.520   2.896
  639   1HB   HIS  72          2HB       HIS  72  17.403  -4.780   1.180
  640   2HB   HIS  72          1HB       HIS  72  16.456  -6.265   1.285
  641    HD1  HIS  72           1HD      HIS  72  16.356  -2.634   2.362
  642    HD2  HIS  72           2HD      HIS  72  13.802  -5.923   2.108
  643    HE1  HIS  72           1HE      HIS  72  14.027  -1.779   2.882
  644    HE2  HIS  72           2HE      HIS  72  12.466  -3.771   2.730
  645    H    ASN  73           H        ASN  73  17.441  -4.847   5.472
  646    HA   ASN  73           HA       ASN  73  18.153  -2.767   6.391
  647   1HB   ASN  73          2HB       ASN  73  20.641  -2.702   6.373
  648   2HB   ASN  73          1HB       ASN  73  19.992  -4.262   6.907
  649   1HD2  ASN  73          1HD2      ASN  73  22.134  -2.722   4.787
  650   2HD2  ASN  73          2HD2      ASN  73  22.404  -4.033   3.722
  651    H    VAL  74           H        VAL  74  17.091  -2.157   3.869
  652    HA   VAL  74           HA       VAL  74  19.040  -0.609   2.329
  653    HB   VAL  74           HB       VAL  74  16.035  -0.919   2.235
  654   1HG1  VAL  74          1HG1      VAL  74  16.306   1.343   1.569
  655   2HG1  VAL  74          2HG1      VAL  74  16.294   0.437   0.055
  656   3HG1  VAL  74          3HG1      VAL  74  17.821   0.999   0.734
  657   1HG2  VAL  74          1HG2      VAL  74  17.846  -2.608   1.318
  658   2HG2  VAL  74          2HG2      VAL  74  17.975  -1.438   0.003
  659   3HG2  VAL  74          3HG2      VAL  74  16.430  -2.220   0.341
  660    H    ASP  75           H        ASP  75  16.387   0.113   4.612
  661    HA   ASP  75           HA       ASP  75  17.761   2.547   5.449
  662   1HB   ASP  75          2HB       ASP  75  15.175   2.724   3.891
  663   2HB   ASP  75          1HB       ASP  75  15.780   4.032   4.906
  664    H    GLU  76           H        GLU  76  15.569   3.834   6.653
  665    HA   GLU  76           HA       GLU  76  14.277   1.751   8.348
  666   1HB   GLU  76          2HB       GLU  76  16.023   4.028   9.309
  667   2HB   GLU  76          1HB       GLU  76  14.832   3.257  10.356
  668   1HG   GLU  76          2HG       GLU  76  15.909   1.079  10.030
  669   2HG   GLU  76          1HG       GLU  76  17.076   1.798   8.921
  670    H    ASN  77           H        ASN  77  14.358   5.081   9.323
  671    HA   ASN  77           HA       ASN  77  11.515   5.313   9.306
  672   1HB   ASN  77          2HB       ASN  77  11.854   7.636   9.901
  673   2HB   ASN  77          1HB       ASN  77  13.068   6.670  10.736
  674   1HD2  ASN  77          1HD2      ASN  77  14.956   6.259   8.681
  675   2HD2  ASN  77          2HD2      ASN  77  15.598   7.757   8.201
  676    H    ILE  78           H        ILE  78  13.947   6.463   6.971
  677    HA   ILE  78           HA       ILE  78  12.340   8.074   5.345
  678    HB   ILE  78           HB       ILE  78  14.363   6.083   4.281
  679   1HG1  ILE  78          2HG1      ILE  78  15.533   8.637   4.676
  680   2HG1  ILE  78          1HG1      ILE  78  14.710   8.231   6.182
  681   1HG2  ILE  78          1HG2      ILE  78  14.708   7.811   2.568
  682   2HG2  ILE  78          2HG2      ILE  78  13.511   8.844   3.350
  683   3HG2  ILE  78          3HG2      ILE  78  13.014   7.322   2.608
  684   1HD1  ILE  78          1HD1      ILE  78  17.047   7.388   6.154
  685   2HD1  ILE  78          2HD1      ILE  78  16.667   6.429   4.724
  686   3HD1  ILE  78          3HD1      ILE  78  15.879   6.070   6.260
  687    H    GLY  79           H        GLY  79  12.644   4.533   5.281
  688   1HA   GLY  79          2HA       GLY  79  10.893   4.158   3.031
  689   2HA   GLY  79          1HA       GLY  79  11.351   2.910   4.189
  690    H    ILE  80           H        ILE  80  10.340   3.833   6.555
  691    HA   ILE  80           HA       ILE  80   7.569   3.163   6.335
  692    HB   ILE  80           HB       ILE  80   9.118   4.481   8.588
  693   1HG1  ILE  80          2HG1      ILE  80   8.108   1.635   8.292
  694   2HG1  ILE  80          1HG1      ILE  80   9.748   2.131   7.876
  695   1HG2  ILE  80          1HG2      ILE  80   6.819   5.035   8.946
  696   2HG2  ILE  80          2HG2      ILE  80   7.142   3.632   9.966
  697   3HG2  ILE  80          3HG2      ILE  80   6.287   3.433   8.437
  698   1HD1  ILE  80          1HD1      ILE  80  10.315   1.826  10.034
  699   2HD1  ILE  80          2HD1      ILE  80   8.634   1.541  10.484
  700   3HD1  ILE  80          3HD1      ILE  80   9.271   3.185  10.449
  701    H    LYS  81           H        LYS  81   9.210   6.300   6.744
  702    HA   LYS  81           HA       LYS  81   6.927   7.941   7.044
  703   1HB   LYS  81          2HB       LYS  81   9.288   8.731   7.278
  704   2HB   LYS  81          1HB       LYS  81   9.476   8.612   5.531
  705   1HG   LYS  81          2HG       LYS  81   7.664  10.268   5.220
  706   2HG   LYS  81          1HG       LYS  81   7.475  10.390   6.969
  707   1HD   LYS  81          2HD       LYS  81   9.827  11.171   7.157
  708   2HD   LYS  81          1HD       LYS  81   9.986  11.076   5.405
  709   1HE   LYS  81          2HE       LYS  81   8.213  12.757   5.130
  710   2HE   LYS  81          1HE       LYS  81   8.001  12.840   6.879
  711   1HZ   LYS  81          1HZ       LYS  81   9.428  14.566   6.555
  712   2HZ   LYS  81          2HZ       LYS  81  10.185  13.854   5.211
  713   3HZ   LYS  81          3HZ       LYS  81  10.563  13.326   6.781
  714    H    ILE  82           H        ILE  82   8.498   6.743   4.089
  715    HA   ILE  82           HA       ILE  82   6.849   8.185   2.246
  716    HB   ILE  82           HB       ILE  82   8.382   5.584   1.967
  717   1HG1  ILE  82          2HG1      ILE  82   8.982   8.324   0.813
  718   2HG1  ILE  82          1HG1      ILE  82   9.591   7.803   2.383
  719   1HG2  ILE  82          1HG2      ILE  82   6.813   7.206  -0.042
  720   2HG2  ILE  82          2HG2      ILE  82   6.724   5.472   0.272
  721   3HG2  ILE  82          3HG2      ILE  82   8.137   6.151  -0.535
  722   1HD1  ILE  82          1HD1      ILE  82  11.284   7.356   0.691
  723   2HD1  ILE  82          2HD1      ILE  82  10.118   6.464  -0.285
  724   3HD1  ILE  82          3HD1      ILE  82  10.638   5.821   1.273
  725    H    PHE  83           H        PHE  83   6.555   4.914   3.615
  726    HA   PHE  83           HA       PHE  83   4.296   4.057   2.137
  727   1HB   PHE  83          2HB       PHE  83   5.450   3.364   4.820
  728   2HB   PHE  83          1HB       PHE  83   3.861   2.728   4.391
  729    HD1  PHE  83           1HD      PHE  83   3.691   1.647   1.973
  730    HD2  PHE  83           2HD      PHE  83   7.354   2.184   4.154
  731    HE1  PHE  83           1HE      PHE  83   4.770  -0.115   0.601
  732    HE2  PHE  83           2HE      PHE  83   8.431   0.423   2.779
  733    HZ   PHE  83           HZ       PHE  83   7.140  -0.725   1.000
  734    H    GLN  84           H        GLN  84   4.402   5.622   5.351
  735    HA   GLN  84           HA       GLN  84   1.643   5.839   5.840
  736   1HB   GLN  84          2HB       GLN  84   3.438   6.476   7.450
  737   2HB   GLN  84          1HB       GLN  84   3.779   7.901   6.472
  738   1HG   GLN  84          2HG       GLN  84   1.572   8.797   6.898
  739   2HG   GLN  84          1HG       GLN  84   1.079   7.306   7.702
  740   1HE2  GLN  84          1HE2      GLN  84   0.967   9.822   9.066
  741   2HE2  GLN  84          2HE2      GLN  84   2.157   9.836  10.285
  742    H    ARG  85           H        ARG  85   3.755   7.948   3.910
  743    HA   ARG  85           HA       ARG  85   1.857   9.987   3.302
  744   1HB   ARG  85          2HB       ARG  85   4.300  10.152   2.813
  745   2HB   ARG  85          1HB       ARG  85   4.111   8.944   1.542
  746   1HG   ARG  85          2HG       ARG  85   2.478  10.475   0.382
  747   2HG   ARG  85          1HG       ARG  85   2.775  11.686   1.634
  748   1HD   ARG  85          2HD       ARG  85   4.977  10.535  -0.089
  749   2HD   ARG  85          1HD       ARG  85   4.144  12.016  -0.484
  750    HE   ARG  85           HE       ARG  85   6.352  11.676   1.445
  751   1HH1  ARG  85          1HH2      ARG  85   3.306  13.215   1.044
  752   2HH1  ARG  85          2HH2      ARG  85   3.710  14.595   2.015
  753   1HH2  ARG  85          1HH1      ARG  85   6.918  13.484   2.720
  754   2HH2  ARG  85          2HH1      ARG  85   5.780  14.775   2.905
  755    H    LEU  86           H        LEU  86   2.582   6.897   1.684
  756    HA   LEU  86           HA       LEU  86   0.714   7.245  -0.490
  757   1HB   LEU  86          2HB       LEU  86   1.792   4.683   0.741
  758   2HB   LEU  86          1HB       LEU  86   0.994   4.823  -0.823
  759    HG   LEU  86           HG       LEU  86   3.562   6.251  -0.077
  760   1HD1  LEU  86          1HD1      LEU  86   4.709   4.652  -1.459
  761   2HD1  LEU  86          2HD1      LEU  86   3.187   3.931  -1.986
  762   3HD1  LEU  86          3HD1      LEU  86   3.728   3.731  -0.319
  763   1HD2  LEU  86          1HD2      LEU  86   3.545   6.443  -2.693
  764   2HD2  LEU  86          2HD2      LEU  86   2.545   7.549  -1.753
  765   3HD2  LEU  86          3HD2      LEU  86   1.814   6.145  -2.530
  766    H    ILE  87           H        ILE  87   0.431   5.959   2.786
  767    HA   ILE  87           HA       ILE  87  -2.114   4.679   2.473
  768    HB   ILE  87           HB       ILE  87  -0.808   5.931   4.907
  769   1HG1  ILE  87          2HG1      ILE  87   0.445   4.054   3.920
  770   2HG1  ILE  87          1HG1      ILE  87  -0.263   3.578   5.463
  771   1HG2  ILE  87          1HG2      ILE  87  -3.310   4.266   4.588
  772   2HG2  ILE  87          2HG2      ILE  87  -3.126   5.809   5.421
  773   3HG2  ILE  87          3HG2      ILE  87  -2.432   4.344   6.115
  774   1HD1  ILE  87          1HD1      ILE  87  -0.981   2.710   2.695
  775   2HD1  ILE  87          2HD1      ILE  87  -2.280   2.826   3.883
  776   3HD1  ILE  87          3HD1      ILE  87  -0.901   1.769   4.183
  777    H    GLU  88           H        GLU  88  -1.225   7.994   3.440
  778    HA   GLU  88           HA       GLU  88  -3.853   8.950   3.987
  779   1HB   GLU  88          2HB       GLU  88  -1.434  10.417   2.870
  780   2HB   GLU  88          1HB       GLU  88  -2.873  11.197   3.525
  781   1HG   GLU  88          2HG       GLU  88  -1.100   9.293   5.080
  782   2HG   GLU  88          1HG       GLU  88  -1.018  11.052   5.192
  783    H    HIS  89           H        HIS  89  -1.928   9.078   0.976
  784    HA   HIS  89           HA       HIS  89  -4.022  10.227  -0.624
  785   1HB   HIS  89          2HB       HIS  89  -2.391  10.283  -2.186
  786   2HB   HIS  89          1HB       HIS  89  -1.328   9.580  -0.972
  787    HD1  HIS  89           1HD      HIS  89  -0.906   6.992  -1.099
  788    HD2  HIS  89           2HD      HIS  89  -3.209   8.510  -4.229
  789    HE1  HIS  89           1HE      HIS  89  -0.933   5.211  -2.904
  790    HE2  HIS  89           2HE      HIS  89  -2.332   6.125  -4.813
  791    H    ASN  90           H        ASN  90  -3.297   6.976   0.399
  792    HA   ASN  90           HA       ASN  90  -4.867   5.552  -1.542
  793   1HB   ASN  90          2HB       ASN  90  -3.175   4.606   0.143
  794   2HB   ASN  90          1HB       ASN  90  -4.458   4.753   1.342
  795   1HD2  ASN  90          1HD2      ASN  90  -3.306   2.842  -1.344
  796   2HD2  ASN  90          2HD2      ASN  90  -4.552   1.689  -1.311
  797    H    LYS  91           H        LYS  91  -5.620   6.917   1.657
  798    HA   LYS  91           HA       LYS  91  -8.370   6.044   1.687
  799   1HB   LYS  91          2HB       LYS  91  -7.163   6.722   3.754
  800   2HB   LYS  91          1HB       LYS  91  -7.065   8.372   3.145
  801   1HG   LYS  91          2HG       LYS  91  -9.536   8.509   3.120
  802   2HG   LYS  91          1HG       LYS  91  -9.631   6.861   3.739
  803   1HD   LYS  91          2HD       LYS  91  -8.446   7.528   5.782
  804   2HD   LYS  91          1HD       LYS  91  -8.263   9.169   5.163
  805   1HE   LYS  91          2HE       LYS  91 -10.203   8.740   6.810
  806   2HE   LYS  91          1HE       LYS  91 -10.590   9.606   5.323
  807   1HZ   LYS  91          1HZ       LYS  91 -11.593   7.751   4.405
  808   2HZ   LYS  91          2HZ       LYS  91 -12.072   7.651   6.032
  809   3HZ   LYS  91          3HZ       LYS  91 -10.814   6.666   5.450
  810    H    ALA  92           H        ALA  92  -6.799   9.137   0.868
  811    HA   ALA  92           HA       ALA  92  -8.956  10.764   0.339
  812   1HB   ALA  92          1HB       ALA  92  -6.707  11.577   0.021
  813   2HB   ALA  92          2HB       ALA  92  -7.572  11.781  -1.503
  814   3HB   ALA  92          3HB       ALA  92  -6.438  10.445  -1.304
  815    H    LEU  93           H        LEU  93  -7.433   8.961  -2.355
  816    HA   LEU  93           HA       LEU  93  -9.662   9.373  -4.075
  817   1HB   LEU  93          2HB       LEU  93  -8.409   8.345  -5.677
  818   2HB   LEU  93          1HB       LEU  93  -7.132   8.597  -4.497
  819    HG   LEU  93           HG       LEU  93  -6.963   6.336  -5.266
  820   1HD1  LEU  93          1HD1      LEU  93  -6.526   5.663  -3.176
  821   2HD1  LEU  93          2HD1      LEU  93  -8.247   5.403  -2.883
  822   3HD1  LEU  93          3HD1      LEU  93  -7.522   6.976  -2.555
  823   1HD2  LEU  93          1HD2      LEU  93  -8.720   5.078  -5.886
  824   2HD2  LEU  93          2HD2      LEU  93  -9.719   6.510  -5.629
  825   3HD2  LEU  93          3HD2      LEU  93  -9.531   5.321  -4.341
  826    H    GLN  94           H        GLN  94  -9.077   6.975  -1.670
  827    HA   GLN  94           HA       GLN  94 -10.938   4.974  -2.521
  828   1HB   GLN  94          2HB       GLN  94  -9.449   5.655  -0.100
  829   2HB   GLN  94          1HB       GLN  94 -11.058   5.020   0.253
  830   1HG   GLN  94          2HG       GLN  94 -10.629   3.031  -1.062
  831   2HG   GLN  94          1HG       GLN  94  -9.113   3.714  -1.646
  832   1HE2  GLN  94          1HE2      GLN  94  -9.655   4.473   1.678
  833   2HE2  GLN  94          2HE2      GLN  94  -8.580   3.296   2.310
  834    H    LYS  95           H        LYS  95 -11.316   7.644  -0.178
  835    HA   LYS  95           HA       LYS  95 -14.158   7.299   0.122
  836   1HB   LYS  95          2HB       LYS  95 -12.603   8.520   1.733
  837   2HB   LYS  95          1HB       LYS  95 -12.604   9.859   0.588
  838   1HG   LYS  95          2HG       LYS  95 -14.949  10.232   0.875
  839   2HG   LYS  95          1HG       LYS  95 -15.163   8.695   1.713
  840   1HD   LYS  95          2HD       LYS  95 -13.242  10.679   2.870
  841   2HD   LYS  95          1HD       LYS  95 -14.967  10.975   3.076
  842   1HE   LYS  95          2HE       LYS  95 -15.272   8.859   4.190
  843   2HE   LYS  95          1HE       LYS  95 -13.638   8.342   3.776
  844   1HZ   LYS  95          1HZ       LYS  95 -13.257  10.698   5.069
  845   2HZ   LYS  95          2HZ       LYS  95 -13.072   9.153   5.752
  846   3HZ   LYS  95          3HZ       LYS  95 -14.534   9.997   5.936
  847    H    GLN  96           H        GLN  96 -12.239   9.688  -1.724
  848    HA   GLN  96           HA       GLN  96 -14.410  11.096  -2.872
  849   1HB   GLN  96          2HB       GLN  96 -11.662  10.511  -4.024
  850   2HB   GLN  96          1HB       GLN  96 -12.778  11.711  -4.674
  851   1HG   GLN  96          2HG       GLN  96 -11.713  11.712  -1.831
  852   2HG   GLN  96          1HG       GLN  96 -11.074  12.708  -3.138
  853   1HE2  GLN  96          1HE2      GLN  96 -13.124  13.865  -4.378
  854   2HE2  GLN  96          2HE2      GLN  96 -14.174  14.669  -3.315
  855    H    TYR  97           H        TYR  97 -12.769   8.142  -3.968
  856    HA   TYR  97           HA       TYR  97 -14.138   7.854  -6.460
  857   1HB   TYR  97          2HB       TYR  97 -12.181   6.524  -6.015
  858   2HB   TYR  97          1HB       TYR  97 -12.915   5.833  -4.569
  859    HD1  TYR  97           1HD      TYR  97 -14.150   3.830  -4.699
  860    HD2  TYR  97           2HD      TYR  97 -13.366   6.083  -8.273
  861    HE1  TYR  97           1HE      TYR  97 -15.127   2.006  -6.068
  862    HE2  TYR  97           2HE      TYR  97 -14.339   4.257  -9.639
  863    HH   TYR  97           HH       TYR  97 -16.230   2.253  -8.946
  864    H    LEU  98           H        LEU  98 -14.857   6.462  -3.242
  865    HA   LEU  98           HA       LEU  98 -17.216   5.057  -4.006
  866   1HB   LEU  98          2HB       LEU  98 -16.275   6.209  -1.377
  867   2HB   LEU  98          1HB       LEU  98 -17.828   5.391  -1.512
  868    HG   LEU  98           HG       LEU  98 -15.254   4.090  -2.431
  869   1HD1  LEU  98          1HD1      LEU  98 -14.810   4.496  -0.145
  870   2HD1  LEU  98          2HD1      LEU  98 -15.499   2.872  -0.154
  871   3HD1  LEU  98          3HD1      LEU  98 -16.494   4.249   0.319
  872   1HD2  LEU  98          1HD2      LEU  98 -18.065   3.171  -1.793
  873   2HD2  LEU  98          2HD2      LEU  98 -16.713   2.038  -1.789
  874   3HD2  LEU  98          3HD2      LEU  98 -17.132   2.906  -3.266
  875    H    GLU  99           H        GLU  99 -16.750   8.401  -2.885
  876    HA   GLU  99           HA       GLU  99 -19.544   9.080  -2.742
  877   1HB   GLU  99          2HB       GLU  99 -17.081  10.809  -3.172
  878   2HB   GLU  99          1HB       GLU  99 -18.700  11.442  -2.881
  879   1HG   GLU  99          2HG       GLU  99 -17.229   9.578  -0.999
  880   2HG   GLU  99          1HG       GLU  99 -17.331  11.326  -0.795
  881    H    GLU 100           H        GLU 100 -17.134   9.215  -5.335
  882    HA   GLU 100           HA       GLU 100 -18.783  10.682  -7.181
  883   1HB   GLU 100          2HB       GLU 100 -16.981  10.572  -8.563
  884   2HB   GLU 100          1HB       GLU 100 -16.154   9.960  -7.136
  885   1HG   GLU 100          2HG       GLU 100 -15.629   8.371  -8.786
  886   2HG   GLU 100          1HG       GLU 100 -16.976   7.625  -7.927
  887    H    THR 101           H        THR 101 -18.615   7.315  -6.297
  888    HA   THR 101           HA       THR 101 -20.092   6.401  -8.657
  889    HB   THR 101           HB       THR 101 -20.314   4.279  -7.221
  890    HG1  THR 101           1HG      THR 101 -18.299   5.449  -5.668
  891   1HG2  THR 101          1HG2      THR 101 -17.521   5.342  -7.729
  892   2HG2  THR 101          2HG2      THR 101 -18.566   4.638  -8.964
  893   3HG2  THR 101          3HG2      THR 101 -17.994   3.647  -7.623
  894    H    LEU 102           H        LEU 102 -20.808   7.454  -5.377
  895    HA   LEU 102           HA       LEU 102 -23.551   6.511  -5.333
  896   1HB   LEU 102          2HB       LEU 102 -22.148   8.706  -3.769
  897   2HB   LEU 102          1HB       LEU 102 -23.795   8.173  -3.450
  898    HG   LEU 102           HG       LEU 102 -21.367   6.353  -3.357
  899   1HD1  LEU 102          1HD1      LEU 102 -21.551   6.517  -0.926
  900   2HD1  LEU 102          2HD1      LEU 102 -22.943   7.589  -1.077
  901   3HD1  LEU 102          3HD1      LEU 102 -21.350   8.135  -1.598
  902   1HD2  LEU 102          1HD2      LEU 102 -23.139   5.032  -1.941
  903   2HD2  LEU 102          2HD2      LEU 102 -23.237   4.967  -3.700
  904   3HD2  LEU 102          3HD2      LEU 102 -24.311   6.035  -2.797
  905    H    GLU 103           H        GLU 103 -21.895   9.333  -6.559
  906    HA   GLU 103           HA       GLU 103 -24.502  10.598  -7.301
  907   1HB   GLU 103          2HB       GLU 103 -21.734  11.803  -7.006
  908   2HB   GLU 103          1HB       GLU 103 -23.136  12.675  -7.620
  909   1HG   GLU 103          2HG       GLU 103 -24.313  12.342  -5.509
  910   2HG   GLU 103          1HG       GLU 103 -22.969  11.380  -4.889
  911    H    HIS 104           H        HIS 104 -24.885  11.198  -9.370
  912    HA   HIS 104           HA       HIS 104 -23.453   9.821 -11.506
  913   1HB   HIS 104          2HB       HIS 104 -25.815  10.328 -11.728
  914   2HB   HIS 104          1HB       HIS 104 -25.490  12.053 -11.604
  915    HD1  HIS 104           1HD      HIS 104 -24.745   9.094 -13.852
  916    HD2  HIS 104           2HD      HIS 104 -24.845  13.259 -14.020
  917    HE1  HIS 104           1HE      HIS 104 -24.262   9.728 -16.256
  918    HE2  HIS 104           2HE      HIS 104 -24.317  12.261 -16.372
  919    H2   TSA 501           1H2      TSA 501  -4.383  -0.528   4.810
  920    H3   TSA 501           1H3      TSA 501  -6.476  -0.463   6.143
  921    H4   TSA 501           4H       TSA 501  -8.438   0.788   5.277
  922    HO5  TSA 501           HO5      TSA 501  -7.054   1.839   6.821
  923    H5   TSA 501           5H       TSA 501  -7.920   2.793   3.668
  924   1H6   TSA 501          1H6       TSA 501  -5.875   2.543   2.247
  925   2H6   TSA 501          2H6       TSA 501  -5.374   2.642   3.875
  926    H8   TSA 501           8H       TSA 501  -7.983  -0.304   1.118
  927   1H9   TSA 501          1H9       TSA 501  -5.639  -1.136   1.910
  928   2H9   TSA 501          2H9       TSA 501  -5.736   0.233   0.968
  Start of MODEL    8
    1   1H    MET   1          1HT       MET   1 -18.783 -10.716  -0.786
    2   2H    MET   1          2HT       MET   1 -18.256 -10.815   0.826
    3   3H    MET   1          3HT       MET   1 -19.856 -10.359   0.478
    4    HA   MET   1           HA       MET   1 -19.863 -12.622   1.219
    5   1HB   MET   1          2HB       MET   1 -20.203 -12.349  -1.788
    6   2HB   MET   1          1HB       MET   1 -20.821 -13.692  -0.828
    7   1HG   MET   1          2HG       MET   1 -22.679 -12.250  -0.976
    8   2HG   MET   1          1HG       MET   1 -21.987 -11.841   0.594
    9   1HE   MET   1          1HE       MET   1 -23.619  -9.666   0.188
   10   2HE   MET   1          2HE       MET   1 -23.954 -10.194  -1.460
   11   3HE   MET   1          3HE       MET   1 -23.408  -8.545  -1.165
   12    H    ILE   2           H        ILE   2 -17.187 -11.719  -0.652
   13    HA   ILE   2           HA       ILE   2 -16.009 -14.426  -0.283
   14    HB   ILE   2           HB       ILE   2 -16.702 -14.449  -2.598
   15   1HG1  ILE   2          2HG1      ILE   2 -14.523 -14.618  -3.732
   16   2HG1  ILE   2          1HG1      ILE   2 -13.767 -13.690  -2.438
   17   1HG2  ILE   2          1HG2      ILE   2 -17.078 -12.067  -2.925
   18   2HG2  ILE   2          2HG2      ILE   2 -15.949 -12.639  -4.154
   19   3HG2  ILE   2          3HG2      ILE   2 -15.353 -11.737  -2.760
   20   1HD1  ILE   2          1HD1      ILE   2 -13.997 -15.425  -0.880
   21   2HD1  ILE   2          2HD1      ILE   2 -13.626 -16.300  -2.364
   22   3HD1  ILE   2          3HD1      ILE   2 -15.291 -16.201  -1.792
   23    H    GLU   3           H        GLU   3 -13.930 -14.295   0.487
   24    HA   GLU   3           HA       GLU   3 -12.818 -11.872   1.433
   25   1HB   GLU   3          2HB       GLU   3 -11.430 -14.465   0.684
   26   2HB   GLU   3          1HB       GLU   3 -10.682 -13.163   1.609
   27   1HG   GLU   3          2HG       GLU   3 -13.222 -14.595   2.437
   28   2HG   GLU   3          1HG       GLU   3 -11.617 -14.983   3.057
   29    H    LYS   4           H        LYS   4 -13.601 -11.355  -1.219
   30    HA   LYS   4           HA       LYS   4 -11.475 -11.420  -3.123
   31   1HB   LYS   4          2HB       LYS   4 -14.009  -9.891  -2.771
   32   2HB   LYS   4          1HB       LYS   4 -12.804  -9.176  -3.843
   33   1HG   LYS   4          2HG       LYS   4 -13.488 -12.092  -4.117
   34   2HG   LYS   4          1HG       LYS   4 -14.550 -10.876  -4.828
   35   1HD   LYS   4          2HD       LYS   4 -11.605 -10.649  -5.327
   36   2HD   LYS   4          1HD       LYS   4 -12.512 -11.874  -6.212
   37   1HE   LYS   4          2HE       LYS   4 -13.270  -8.941  -6.102
   38   2HE   LYS   4          1HE       LYS   4 -12.382  -9.689  -7.429
   39   1HZ   LYS   4          1HZ       LYS   4 -14.214 -10.702  -8.198
   40   2HZ   LYS   4          2HZ       LYS   4 -15.044  -9.504  -7.326
   41   3HZ   LYS   4          3HZ       LYS   4 -14.819 -11.047  -6.652
   42    H    LEU   5           H        LEU   5 -12.299  -9.066  -0.600
   43    HA   LEU   5           HA       LEU   5 -10.372  -7.064  -1.265
   44   1HB   LEU   5          2HB       LEU   5 -12.351  -7.248   0.556
   45   2HB   LEU   5          1HB       LEU   5 -10.980  -7.611   1.600
   46    HG   LEU   5           HG       LEU   5 -11.191  -5.160  -0.179
   47   1HD1  LEU   5          1HD1      LEU   5 -11.687  -5.616   2.775
   48   2HD1  LEU   5          2HD1      LEU   5 -12.790  -4.917   1.590
   49   3HD1  LEU   5          3HD1      LEU   5 -11.363  -4.018   2.104
   50   1HD2  LEU   5          1HD2      LEU   5  -9.279  -4.486   1.470
   51   2HD2  LEU   5          2HD2      LEU   5  -8.887  -5.578   0.142
   52   3HD2  LEU   5          3HD2      LEU   5  -9.140  -6.217   1.767
   53    H    ALA   6           H        ALA   6 -10.139 -10.059   0.577
   54    HA   ALA   6           HA       ALA   6  -7.596  -9.666   1.775
   55   1HB   ALA   6          1HB       ALA   6  -8.709 -12.272   0.705
   56   2HB   ALA   6          2HB       ALA   6  -9.168 -11.559   2.252
   57   3HB   ALA   6          3HB       ALA   6  -7.506 -12.081   1.978
   58    H    GLU   7           H        GLU   7  -8.276 -11.480  -1.256
   59    HA   GLU   7           HA       GLU   7  -5.576 -11.787  -2.040
   60   1HB   GLU   7          2HB       GLU   7  -8.077 -11.512  -3.726
   61   2HB   GLU   7          1HB       GLU   7  -6.505 -11.986  -4.372
   62   1HG   GLU   7          2HG       GLU   7  -6.448 -13.929  -2.873
   63   2HG   GLU   7          1HG       GLU   7  -7.990 -13.446  -2.167
   64    H    ILE   8           H        ILE   8  -7.752  -9.037  -2.407
   65    HA   ILE   8           HA       ILE   8  -6.186  -7.547  -4.284
   66    HB   ILE   8           HB       ILE   8  -8.193  -6.782  -2.173
   67   1HG1  ILE   8          2HG1      ILE   8  -8.221  -6.413  -5.181
   68   2HG1  ILE   8          1HG1      ILE   8  -8.847  -7.855  -4.383
   69   1HG2  ILE   8          1HG2      ILE   8  -7.989  -4.487  -3.506
   70   2HG2  ILE   8          2HG2      ILE   8  -6.327  -5.036  -3.726
   71   3HG2  ILE   8          3HG2      ILE   8  -6.977  -4.818  -2.102
   72   1HD1  ILE   8          1HD1      ILE   8  -9.795  -5.237  -3.331
   73   2HD1  ILE   8          2HD1      ILE   8 -10.670  -6.756  -3.520
   74   3HD1  ILE   8          3HD1      ILE   8 -10.398  -5.715  -4.918
   75    H    ARG   9           H        ARG   9  -6.209  -7.519  -0.707
   76    HA   ARG   9           HA       ARG   9  -4.158  -5.518  -0.465
   77   1HB   ARG   9          2HB       ARG   9  -5.042  -7.690   1.478
   78   2HB   ARG   9          1HB       ARG   9  -3.989  -6.336   1.894
   79   1HG   ARG   9          2HG       ARG   9  -5.908  -4.855   0.903
   80   2HG   ARG   9          1HG       ARG   9  -6.915  -6.282   1.148
   81   1HD   ARG   9          2HD       ARG   9  -6.227  -6.334   3.534
   82   2HD   ARG   9          1HD       ARG   9  -5.255  -4.890   3.267
   83    HE   ARG   9           HE       ARG   9  -7.791  -4.129   2.441
   84   1HH1  ARG   9          1HH2      ARG   9  -6.482  -5.638   5.248
   85   2HH1  ARG   9          2HH2      ARG   9  -7.450  -4.723   6.360
   86   1HH2  ARG   9          1HH1      ARG   9  -9.135  -2.989   3.877
   87   2HH2  ARG   9          2HH1      ARG   9  -8.948  -3.219   5.583
   88    H    LYS  10           H        LYS  10  -4.076  -8.935  -1.129
   89    HA   LYS  10           HA       LYS  10  -1.320  -9.392  -0.365
   90   1HB   LYS  10          2HB       LYS  10  -3.231 -10.831  -2.231
   91   2HB   LYS  10          1HB       LYS  10  -1.577 -11.384  -1.970
   92   1HG   LYS  10          2HG       LYS  10  -2.055 -11.475   0.496
   93   2HG   LYS  10          1HG       LYS  10  -3.736 -11.076   0.140
   94   1HD   LYS  10          2HD       LYS  10  -3.902 -13.095  -1.290
   95   2HD   LYS  10          1HD       LYS  10  -2.236 -13.506  -0.882
   96   1HE   LYS  10          2HE       LYS  10  -2.850 -13.655   1.502
   97   2HE   LYS  10          1HE       LYS  10  -4.516 -13.238   1.101
   98   1HZ   LYS  10          1HZ       LYS  10  -3.276 -15.757   1.022
   99   2HZ   LYS  10          2HZ       LYS  10  -3.746 -15.341  -0.557
  100   3HZ   LYS  10          3HZ       LYS  10  -4.895 -15.366   0.696
  101    H    LYS  11           H        LYS  11  -2.976  -8.259  -3.279
  102    HA   LYS  11           HA       LYS  11  -0.750  -8.328  -5.069
  103   1HB   LYS  11          2HB       LYS  11  -3.038  -6.323  -4.981
  104   2HB   LYS  11          1HB       LYS  11  -1.974  -6.604  -6.357
  105   1HG   LYS  11          2HG       LYS  11  -2.764  -9.100  -6.105
  106   2HG   LYS  11          1HG       LYS  11  -4.118  -8.382  -5.231
  107   1HD   LYS  11          2HD       LYS  11  -4.571  -6.905  -7.178
  108   2HD   LYS  11          1HD       LYS  11  -3.253  -7.683  -8.055
  109   1HE   LYS  11          2HE       LYS  11  -4.427  -9.876  -7.782
  110   2HE   LYS  11          1HE       LYS  11  -5.779  -9.017  -7.040
  111   1HZ   LYS  11          1HZ       LYS  11  -5.437  -7.602  -9.273
  112   2HZ   LYS  11          2HZ       LYS  11  -6.505  -8.918  -9.149
  113   3HZ   LYS  11          3HZ       LYS  11  -4.959  -9.134  -9.820
  114    H    ILE  12           H        ILE  12  -1.890  -5.869  -2.767
  115    HA   ILE  12           HA       ILE  12   0.039  -3.859  -3.356
  116    HB   ILE  12           HB       ILE  12  -1.542  -4.583  -0.892
  117   1HG1  ILE  12          2HG1      ILE  12  -2.491  -2.305  -1.319
  118   2HG1  ILE  12          1HG1      ILE  12  -1.471  -2.182  -2.752
  119   1HG2  ILE  12          1HG2      ILE  12   0.408  -3.760   0.143
  120   2HG2  ILE  12          2HG2      ILE  12  -0.610  -2.326  -0.006
  121   3HG2  ILE  12          3HG2      ILE  12   0.711  -2.594  -1.145
  122   1HD1  ILE  12          1HD1      ILE  12  -3.907  -3.005  -3.070
  123   2HD1  ILE  12          2HD1      ILE  12  -3.339  -4.519  -2.366
  124   3HD1  ILE  12          3HD1      ILE  12  -2.623  -3.918  -3.863
  125    H    ASP  13           H        ASP  13   0.161  -6.758  -1.363
  126    HA   ASP  13           HA       ASP  13   2.585  -6.297   0.027
  127   1HB   ASP  13          2HB       ASP  13   0.924  -8.251   0.273
  128   2HB   ASP  13          1HB       ASP  13   1.761  -8.989  -1.092
  129    H    GLU  14           H        GLU  14   2.019  -7.726  -3.195
  130    HA   GLU  14           HA       GLU  14   4.761  -8.230  -3.818
  131   1HB   GLU  14          2HB       GLU  14   2.420  -7.580  -5.634
  132   2HB   GLU  14          1HB       GLU  14   3.981  -8.171  -6.199
  133   1HG   GLU  14          2HG       GLU  14   2.201  -9.639  -4.228
  134   2HG   GLU  14          1HG       GLU  14   2.293  -9.996  -5.953
  135    H    ILE  15           H        ILE  15   2.808  -5.331  -3.851
  136    HA   ILE  15           HA       ILE  15   4.808  -3.783  -5.363
  137    HB   ILE  15           HB       ILE  15   2.172  -3.114  -4.044
  138   1HG1  ILE  15          2HG1      ILE  15   1.860  -2.223  -6.482
  139   2HG1  ILE  15          1HG1      ILE  15   3.265  -3.225  -6.851
  140   1HG2  ILE  15          1HG2      ILE  15   2.676  -0.779  -5.104
  141   2HG2  ILE  15          2HG2      ILE  15   4.365  -1.277  -4.981
  142   3HG2  ILE  15          3HG2      ILE  15   3.369  -1.166  -3.530
  143   1HD1  ILE  15          1HD1      ILE  15   1.165  -4.479  -7.220
  144   2HD1  ILE  15          2HD1      ILE  15   0.707  -4.201  -5.539
  145   3HD1  ILE  15          3HD1      ILE  15   2.111  -5.198  -5.917
  146    H    ASP  16           H        ASP  16   3.711  -4.177  -2.025
  147    HA   ASP  16           HA       ASP  16   5.116  -2.055  -0.804
  148   1HB   ASP  16          2HB       ASP  16   4.435  -4.837   0.195
  149   2HB   ASP  16          1HB       ASP  16   5.122  -3.588   1.232
  150    H    ASN  17           H        ASN  17   6.219  -5.428  -1.289
  151    HA   ASN  17           HA       ASN  17   8.893  -4.980  -0.390
  152   1HB   ASN  17          2HB       ASN  17   7.991  -6.979  -2.488
  153   2HB   ASN  17          1HB       ASN  17   9.417  -7.084  -1.459
  154   1HD2  ASN  17          1HD2      ASN  17   6.982  -5.726   0.408
  155   2HD2  ASN  17          2HD2      ASN  17   6.400  -7.141   1.156
  156    H    LYS  18           H        LYS  18   7.344  -4.598  -3.536
  157    HA   LYS  18           HA       LYS  18   9.668  -4.275  -5.143
  158   1HB   LYS  18          2HB       LYS  18   7.333  -4.536  -5.998
  159   2HB   LYS  18          1HB       LYS  18   6.990  -2.888  -5.476
  160   1HG   LYS  18          2HG       LYS  18   8.766  -2.043  -6.973
  161   2HG   LYS  18          1HG       LYS  18   9.108  -3.692  -7.497
  162   1HD   LYS  18          2HD       LYS  18   6.783  -3.903  -8.331
  163   2HD   LYS  18          1HD       LYS  18   6.463  -2.241  -7.835
  164   1HE   LYS  18          2HE       LYS  18   8.189  -1.423  -9.378
  165   2HE   LYS  18          1HE       LYS  18   8.571  -3.079  -9.850
  166   1HZ   LYS  18          1HZ       LYS  18   5.865  -2.877 -10.177
  167   2HZ   LYS  18          2HZ       LYS  18   7.030  -2.833 -11.412
  168   3HZ   LYS  18          3HZ       LYS  18   6.449  -1.386 -10.736
  169    H    ILE  19           H        ILE  19   7.791  -1.835  -3.314
  170    HA   ILE  19           HA       ILE  19   9.466   0.364  -4.200
  171    HB   ILE  19           HB       ILE  19   7.196   0.805  -3.477
  172   1HG1  ILE  19          2HG1      ILE  19   9.370   2.277  -2.758
  173   2HG1  ILE  19          1HG1      ILE  19   7.708   2.783  -2.459
  174   1HG2  ILE  19          1HG2      ILE  19   6.685   0.549  -0.987
  175   2HG2  ILE  19          2HG2      ILE  19   8.130  -0.456  -0.894
  176   3HG2  ILE  19          3HG2      ILE  19   6.777  -0.947  -1.914
  177   1HD1  ILE  19          1HD1      ILE  19   9.290   2.873  -0.451
  178   2HD1  ILE  19          2HD1      ILE  19   9.259   1.109  -0.477
  179   3HD1  ILE  19          3HD1      ILE  19   7.770   2.014  -0.205
  180    H    LEU  20           H        LEU  20   9.602  -1.920  -1.534
  181    HA   LEU  20           HA       LEU  20  11.569  -0.405  -0.006
  182   1HB   LEU  20          2HB       LEU  20  10.670  -3.298   0.063
  183   2HB   LEU  20          1HB       LEU  20  11.921  -2.668   1.131
  184    HG   LEU  20           HG       LEU  20   9.130  -1.497   0.934
  185   1HD1  LEU  20          1HD1      LEU  20   8.856  -3.692   1.831
  186   2HD1  LEU  20          2HD1      LEU  20   8.904  -2.614   3.227
  187   3HD1  LEU  20          3HD1      LEU  20  10.328  -3.560   2.796
  188   1HD2  LEU  20          1HD2      LEU  20  11.582  -0.967   2.583
  189   2HD2  LEU  20          2HD2      LEU  20  10.000  -0.724   3.323
  190   3HD2  LEU  20          3HD2      LEU  20  10.446   0.183   1.877
  191    H    LYS  21           H        LYS  21  11.649  -2.453  -2.788
  192    HA   LYS  21           HA       LYS  21  14.461  -3.224  -2.478
  193   1HB   LYS  21          2HB       LYS  21  12.787  -4.635  -3.707
  194   2HB   LYS  21          1HB       LYS  21  12.704  -3.384  -4.947
  195   1HG   LYS  21          2HG       LYS  21  15.076  -3.662  -5.446
  196   2HG   LYS  21          1HG       LYS  21  15.252  -4.809  -4.119
  197   1HD   LYS  21          2HD       LYS  21  15.045  -6.163  -6.056
  198   2HD   LYS  21          1HD       LYS  21  13.447  -6.204  -5.310
  199   1HE   LYS  21          2HE       LYS  21  12.571  -4.623  -6.877
  200   2HE   LYS  21          1HE       LYS  21  14.181  -4.207  -7.461
  201   1HZ   LYS  21          1HZ       LYS  21  12.681  -6.723  -7.876
  202   2HZ   LYS  21          2HZ       LYS  21  14.355  -6.613  -8.147
  203   3HZ   LYS  21          3HZ       LYS  21  13.280  -5.653  -9.049
  204    H    ALA  22           H        ALA  22  16.192  -2.058  -3.211
  205    HA   ALA  22           HA       ALA  22  15.718   0.078  -5.223
  206   1HB   ALA  22          1HB       ALA  22  16.920   1.727  -3.901
  207   2HB   ALA  22          2HB       ALA  22  17.245   0.534  -2.643
  208   3HB   ALA  22          3HB       ALA  22  15.596   1.084  -2.932
  209    H    ARG  23           H        ARG  23  16.907  -2.326  -5.838
  210    HA   ARG  23           HA       ARG  23  19.761  -2.359  -5.493
  211   1HB   ARG  23          2HB       ARG  23  17.944  -3.652  -7.552
  212   2HB   ARG  23          1HB       ARG  23  19.684  -3.933  -7.492
  213   1HG   ARG  23          2HG       ARG  23  19.479  -4.763  -5.173
  214   2HG   ARG  23          1HG       ARG  23  17.742  -4.458  -5.215
  215   1HD   ARG  23          2HD       ARG  23  17.506  -6.082  -7.079
  216   2HD   ARG  23          1HD       ARG  23  19.242  -6.408  -7.016
  217    HE   ARG  23           HE       ARG  23  17.278  -7.576  -5.275
  218   1HH1  ARG  23          1HH2      ARG  23  20.464  -6.263  -5.389
  219   2HH1  ARG  23          2HH2      ARG  23  20.999  -7.096  -3.968
  220   1HH2  ARG  23          1HH1      ARG  23  17.964  -8.647  -3.383
  221   2HH2  ARG  23          2HH1      ARG  23  19.598  -8.442  -2.840
  222    H    TRP  24           H        TRP  24  17.663  -1.037  -8.048
  223    HA   TRP  24           HA       TRP  24  20.066   0.097  -9.390
  224   1HB   TRP  24          2HB       TRP  24  18.375  -1.131 -10.771
  225   2HB   TRP  24          1HB       TRP  24  17.182   0.084 -10.322
  226    HD1  TRP  24           HD       TRP  24  17.137   2.276 -11.682
  227    HE1  TRP  24           1HE      TRP  24  18.589   3.270 -13.571
  228    HE3  TRP  24           3HE      TRP  24  20.973  -1.092 -11.711
  229    HZ2  TRP  24           2HZ      TRP  24  21.056   2.705 -14.914
  230    HZ3  TRP  24           3HZ      TRP  24  22.857  -0.843 -13.298
  231    HH2  TRP  24           HH       TRP  24  22.905   1.049 -14.899
  232    HA   PRO  25           HA       PRO  25  19.487   4.042  -7.430
  233   1HB   PRO  25          2HB       PRO  25  20.481   4.999 -10.097
  234   2HB   PRO  25          1HB       PRO  25  21.011   5.462  -8.468
  235   1HG   PRO  25          2HG       PRO  25  22.469   3.810  -9.905
  236   2HG   PRO  25          1HG       PRO  25  22.233   3.514  -8.172
  237   1HD   PRO  25          2HD       PRO  25  20.977   2.114 -10.509
  238   2HD   PRO  25          1HD       PRO  25  21.482   1.455  -8.937
  239    H    TRP  26           H        TRP  26  17.905   5.662  -7.433
  240    HA   TRP  26           HA       TRP  26  15.876   6.684  -8.029
  241   1HB   TRP  26          2HB       TRP  26  17.435   7.606  -9.799
  242   2HB   TRP  26          1HB       TRP  26  16.876   6.316 -10.864
  243    HD1  TRP  26           HD       TRP  26  14.573   6.592 -12.006
  244    HE1  TRP  26           1HE      TRP  26  12.781   8.446 -12.009
  245    HE3  TRP  26           3HE      TRP  26  16.326   9.511  -8.204
  246    HZ2  TRP  26           2HZ      TRP  26  12.174  10.854 -10.582
  247    HZ3  TRP  26           3HZ      TRP  26  15.126  11.576  -7.546
  248    HH2  TRP  26           HH       TRP  26  13.054  12.251  -8.729
  249    H    ALA  27           H        ALA  27  14.598   4.838  -7.355
  250    HA   ALA  27           HA       ALA  27  13.988   2.727  -9.279
  251   1HB   ALA  27          1HB       ALA  27  12.780   3.455  -6.594
  252   2HB   ALA  27          2HB       ALA  27  13.949   2.175  -6.920
  253   3HB   ALA  27          3HB       ALA  27  12.304   2.043  -7.538
  254    H    GLU  28           H        GLU  28  13.383   5.589  -9.960
  255    HA   GLU  28           HA       GLU  28  11.650   6.834 -10.946
  256   1HB   GLU  28          2HB       GLU  28  10.654   4.011 -11.447
  257   2HB   GLU  28          1HB       GLU  28  10.005   5.453 -12.227
  258   1HG   GLU  28          2HG       GLU  28  12.909   4.592 -12.371
  259   2HG   GLU  28          1HG       GLU  28  11.712   4.275 -13.627
  260    H    LYS  29           H        LYS  29   9.043   6.884 -10.961
  261    HA   LYS  29           HA       LYS  29   8.276   6.706  -8.093
  262   1HB   LYS  29          2HB       LYS  29   6.882   8.139 -10.379
  263   2HB   LYS  29          1HB       LYS  29   6.479   8.266  -8.668
  264   1HG   LYS  29          2HG       LYS  29   9.253   8.920  -9.647
  265   2HG   LYS  29          1HG       LYS  29   7.968  10.124  -9.707
  266   1HD   LYS  29          2HD       LYS  29   7.568   9.767  -7.268
  267   2HD   LYS  29          1HD       LYS  29   8.937   8.655  -7.238
  268   1HE   LYS  29          2HE       LYS  29   9.716  10.830  -6.506
  269   2HE   LYS  29          1HE       LYS  29  10.387  10.517  -8.106
  270   1HZ   LYS  29          1HZ       LYS  29   7.854  11.993  -7.733
  271   2HZ   LYS  29          2HZ       LYS  29   8.859  11.951  -9.102
  272   3HZ   LYS  29          3HZ       LYS  29   9.356  12.780  -7.704
  273    H    LEU  30           H        LEU  30   6.533   5.443  -7.428
  274    HA   LEU  30           HA       LEU  30   4.866   4.133  -9.487
  275   1HB   LEU  30          2HB       LEU  30   6.697   2.546  -9.250
  276   2HB   LEU  30          1HB       LEU  30   6.560   2.596  -7.494
  277    HG   LEU  30           HG       LEU  30   4.319   1.607  -7.612
  278   1HD1  LEU  30          1HD1      LEU  30   3.714   0.696  -9.993
  279   2HD1  LEU  30          2HD1      LEU  30   4.786   1.976 -10.564
  280   3HD1  LEU  30          3HD1      LEU  30   3.360   2.381  -9.608
  281   1HD2  LEU  30          1HD2      LEU  30   6.405   0.144  -9.266
  282   2HD2  LEU  30          2HD2      LEU  30   4.961  -0.613  -8.590
  283   3HD2  LEU  30          3HD2      LEU  30   6.195   0.049  -7.517
  284    H    ILE  31           H        ILE  31   2.845   4.600  -8.782
  285    HA   ILE  31           HA       ILE  31   2.114   3.911  -6.003
  286    HB   ILE  31           HB       ILE  31   1.025   6.131  -5.641
  287   1HG1  ILE  31          2HG1      ILE  31   2.591   6.947  -8.111
  288   2HG1  ILE  31          1HG1      ILE  31   0.847   6.694  -8.078
  289   1HG2  ILE  31          1HG2      ILE  31   3.419   5.530  -4.910
  290   2HG2  ILE  31          2HG2      ILE  31   3.014   7.246  -4.967
  291   3HG2  ILE  31          3HG2      ILE  31   3.956   6.518  -6.269
  292   1HD1  ILE  31          1HD1      ILE  31   0.770   8.410  -6.186
  293   2HD1  ILE  31          2HD1      ILE  31   1.158   9.044  -7.784
  294   3HD1  ILE  31          3HD1      ILE  31   2.440   8.796  -6.599
  295    H    ALA  32           H        ALA  32   1.417   4.194  -9.298
  296    HA   ALA  32           HA       ALA  32  -1.415   4.508  -9.309
  297   1HB   ALA  32          1HB       ALA  32   0.470   3.053 -11.179
  298   2HB   ALA  32          2HB       ALA  32  -0.232   4.656 -11.388
  299   3HB   ALA  32          3HB       ALA  32  -1.257   3.225 -11.504
  300    H    GLU  33           H        GLU  33   0.549   1.509  -9.290
  301    HA   GLU  33           HA       GLU  33  -1.559  -0.353  -9.244
  302   1HB   GLU  33          2HB       GLU  33   1.129  -0.464  -7.835
  303   2HB   GLU  33          1HB       GLU  33   0.057  -1.850  -8.035
  304   1HG   GLU  33          2HG       GLU  33   1.168  -0.200 -10.323
  305   2HG   GLU  33          1HG       GLU  33   1.836  -1.742  -9.788
  306    H    ARG  34           H        ARG  34   0.003   1.289  -6.476
  307    HA   ARG  34           HA       ARG  34  -1.600   0.067  -4.449
  308   1HB   ARG  34          2HB       ARG  34  -0.019   2.627  -4.630
  309   2HB   ARG  34          1HB       ARG  34  -1.042   2.335  -3.231
  310   1HG   ARG  34          2HG       ARG  34   0.833   0.155  -4.079
  311   2HG   ARG  34          1HG       ARG  34   1.493   1.559  -3.238
  312   1HD   ARG  34          2HD       ARG  34  -0.835  -0.038  -2.239
  313   2HD   ARG  34          1HD       ARG  34   0.804  -0.342  -1.745
  314    HE   ARG  34           HE       ARG  34   0.354   2.392  -1.165
  315   1HH1  ARG  34          1HH2      ARG  34  -1.083  -0.663  -0.550
  316   2HH1  ARG  34          2HH2      ARG  34  -1.730  -0.200   0.989
  317   1HH2  ARG  34          1HH1      ARG  34  -0.508   3.047   0.847
  318   2HH2  ARG  34          2HH1      ARG  34  -1.405   1.886   1.776
  319    H    ASN  35           H        ASN  35  -2.021   3.109  -6.260
  320    HA   ASN  35           HA       ASN  35  -4.479   3.830  -4.972
  321   1HB   ASN  35          2HB       ASN  35  -3.155   5.475  -6.257
  322   2HB   ASN  35          1HB       ASN  35  -3.446   4.551  -7.736
  323   1HD2  ASN  35          1HD2      ASN  35  -4.392   7.344  -6.587
  324   2HD2  ASN  35          2HD2      ASN  35  -6.056   7.344  -6.951
  325    H    SER  36           H        SER  36  -3.757   1.999  -7.945
  326    HA   SER  36           HA       SER  36  -6.284   1.680  -9.055
  327   1HB   SER  36          2HB       SER  36  -5.520  -0.442  -9.927
  328   2HB   SER  36          1HB       SER  36  -4.134   0.643  -9.882
  329    HG   SER  36           HG       SER  36  -3.259  -0.876  -8.726
  330    H    LEU  37           H        LEU  37  -5.052  -1.029  -7.113
  331    HA   LEU  37           HA       LEU  37  -7.426  -2.217  -6.389
  332   1HB   LEU  37          2HB       LEU  37  -4.943  -1.784  -4.728
  333   2HB   LEU  37          1HB       LEU  37  -6.301  -2.724  -4.125
  334    HG   LEU  37           HG       LEU  37  -4.650  -4.219  -5.102
  335   1HD1  LEU  37          1HD1      LEU  37  -7.283  -4.324  -5.638
  336   2HD1  LEU  37          2HD1      LEU  37  -6.143  -5.531  -6.234
  337   3HD1  LEU  37          3HD1      LEU  37  -6.664  -4.215  -7.286
  338   1HD2  LEU  37          1HD2      LEU  37  -3.748  -2.384  -6.651
  339   2HD2  LEU  37          2HD2      LEU  37  -5.046  -2.838  -7.757
  340   3HD2  LEU  37          3HD2      LEU  37  -3.815  -4.019  -7.309
  341    H    ALA  38           H        ALA  38  -5.924   0.561  -4.736
  342    HA   ALA  38           HA       ALA  38  -7.535   0.938  -2.543
  343   1HB   ALA  38          1HB       ALA  38  -5.681   2.464  -3.603
  344   2HB   ALA  38          2HB       ALA  38  -6.911   3.176  -2.558
  345   3HB   ALA  38          3HB       ALA  38  -7.055   3.311  -4.310
  346    H    LYS  39           H        LYS  39  -8.386   2.006  -5.845
  347    HA   LYS  39           HA       LYS  39 -10.984   3.003  -5.146
  348   1HB   LYS  39          2HB       LYS  39  -9.928   3.626  -7.250
  349   2HB   LYS  39          1HB       LYS  39  -9.906   1.942  -7.770
  350   1HG   LYS  39          2HG       LYS  39 -12.514   3.213  -7.003
  351   2HG   LYS  39          1HG       LYS  39 -11.836   3.517  -8.603
  352   1HD   LYS  39          2HD       LYS  39 -11.556   0.760  -8.240
  353   2HD   LYS  39          1HD       LYS  39 -13.152   1.129  -7.589
  354   1HE   LYS  39          2HE       LYS  39 -13.630   2.412  -9.709
  355   2HE   LYS  39          1HE       LYS  39 -12.114   1.788 -10.359
  356   1HZ   LYS  39          1HZ       LYS  39 -14.190   0.493 -10.905
  357   2HZ   LYS  39          2HZ       LYS  39 -14.222   0.014  -9.274
  358   3HZ   LYS  39          3HZ       LYS  39 -12.902  -0.402 -10.260
  359    H    ASP  40           H        ASP  40  -9.982  -0.146  -6.522
  360    HA   ASP  40           HA       ASP  40 -12.595  -1.288  -6.582
  361   1HB   ASP  40          2HB       ASP  40  -9.827  -2.500  -6.386
  362   2HB   ASP  40          1HB       ASP  40 -11.283  -3.492  -6.497
  363    H    VAL  41           H        VAL  41 -10.123  -1.169  -4.038
  364    HA   VAL  41           HA       VAL  41 -11.393  -2.941  -2.200
  365    HB   VAL  41           HB       VAL  41  -9.606  -0.538  -1.728
  366   1HG1  VAL  41          1HG1      VAL  41  -9.214  -1.701   0.509
  367   2HG1  VAL  41          2HG1      VAL  41 -10.651  -2.661   0.157
  368   3HG1  VAL  41          3HG1      VAL  41 -10.780  -0.911   0.324
  369   1HG2  VAL  41          1HG2      VAL  41  -8.598  -2.405  -3.008
  370   2HG2  VAL  41          2HG2      VAL  41  -9.050  -3.522  -1.722
  371   3HG2  VAL  41          3HG2      VAL  41  -7.864  -2.256  -1.410
  372    H    ALA  42           H        ALA  42 -11.644   0.583  -2.626
  373    HA   ALA  42           HA       ALA  42 -13.352   1.197  -0.490
  374   1HB   ALA  42          1HB       ALA  42 -12.397   2.542  -2.730
  375   2HB   ALA  42          2HB       ALA  42 -13.449   3.225  -1.491
  376   3HB   ALA  42          3HB       ALA  42 -14.146   2.549  -2.964
  377    H    GLU  43           H        GLU  43 -14.194  -0.031  -3.722
  378    HA   GLU  43           HA       GLU  43 -17.007   0.005  -3.505
  379   1HB   GLU  43          2HB       GLU  43 -15.763  -0.605  -5.574
  380   2HB   GLU  43          1HB       GLU  43 -15.286  -2.126  -4.820
  381   1HG   GLU  43          2HG       GLU  43 -17.641  -2.790  -4.617
  382   2HG   GLU  43          1HG       GLU  43 -18.146  -1.248  -5.309
  383    H    ILE  44           H        ILE  44 -14.899  -2.826  -2.880
  384    HA   ILE  44           HA       ILE  44 -16.879  -4.461  -1.705
  385    HB   ILE  44           HB       ILE  44 -13.974  -4.384  -0.871
  386   1HG1  ILE  44          2HG1      ILE  44 -13.992  -4.446  -3.287
  387   2HG1  ILE  44          1HG1      ILE  44 -13.653  -6.076  -2.710
  388   1HG2  ILE  44          1HG2      ILE  44 -16.165  -6.452  -0.808
  389   2HG2  ILE  44          2HG2      ILE  44 -15.147  -5.893   0.520
  390   3HG2  ILE  44          3HG2      ILE  44 -14.465  -6.915  -0.746
  391   1HD1  ILE  44          1HD1      ILE  44 -16.209  -4.990  -3.879
  392   2HD1  ILE  44          2HD1      ILE  44 -16.213  -6.441  -2.877
  393   3HD1  ILE  44          3HD1      ILE  44 -15.288  -6.409  -4.379
  394    H    LYS  45           H        LYS  45 -14.908  -1.891  -0.294
  395    HA   LYS  45           HA       LYS  45 -15.321  -2.427   2.456
  396   1HB   LYS  45          2HB       LYS  45 -15.029   0.208   0.977
  397   2HB   LYS  45          1HB       LYS  45 -15.062   0.088   2.735
  398   1HG   LYS  45          2HG       LYS  45 -13.156  -1.654   1.206
  399   2HG   LYS  45          1HG       LYS  45 -12.751   0.046   1.450
  400   1HD   LYS  45          2HD       LYS  45 -13.285  -0.354   3.936
  401   2HD   LYS  45          1HD       LYS  45 -13.234  -2.073   3.552
  402   1HE   LYS  45          2HE       LYS  45 -11.035  -1.367   4.343
  403   2HE   LYS  45          1HE       LYS  45 -10.934  -1.759   2.627
  404   1HZ   LYS  45          1HZ       LYS  45  -9.895   0.422   3.470
  405   2HZ   LYS  45          2HZ       LYS  45 -11.492   1.003   3.495
  406   3HZ   LYS  45          3HZ       LYS  45 -10.806   0.455   2.041
  407    H    ASN  46           H        ASN  46 -17.321  -0.573   0.171
  408    HA   ASN  46           HA       ASN  46 -19.367   0.185   2.012
  409   1HB   ASN  46          2HB       ASN  46 -19.172   1.170  -0.228
  410   2HB   ASN  46          1HB       ASN  46 -19.524  -0.395  -0.962
  411   1HD2  ASN  46          1HD2      ASN  46 -21.085   1.265   1.829
  412   2HD2  ASN  46          2HD2      ASN  46 -22.645   1.248   1.158
  413    H    GLN  47           H        GLN  47 -18.804  -2.755   0.142
  414    HA   GLN  47           HA       GLN  47 -21.361  -3.961   0.777
  415   1HB   GLN  47          2HB       GLN  47 -18.868  -5.520   0.106
  416   2HB   GLN  47          1HB       GLN  47 -20.540  -5.890  -0.308
  417   1HG   GLN  47          2HG       GLN  47 -20.601  -3.949  -1.826
  418   2HG   GLN  47          1HG       GLN  47 -18.927  -3.576  -1.415
  419   1HE2  GLN  47          1HE2      GLN  47 -19.088  -6.892  -1.341
  420   2HE2  GLN  47          2HE2      GLN  47 -18.625  -7.235  -2.938
  421    H    LEU  48           H        LEU  48 -18.513  -3.395   2.561
  422    HA   LEU  48           HA       LEU  48 -19.082  -5.624   4.457
  423   1HB   LEU  48          2HB       LEU  48 -16.727  -3.720   4.203
  424   2HB   LEU  48          1HB       LEU  48 -16.923  -4.844   5.546
  425    HG   LEU  48           HG       LEU  48 -17.083  -5.886   2.733
  426   1HD1  LEU  48          1HD1      LEU  48 -14.609  -5.049   4.247
  427   2HD1  LEU  48          2HD1      LEU  48 -15.032  -4.711   2.570
  428   3HD1  LEU  48          3HD1      LEU  48 -14.551  -6.339   3.047
  429   1HD2  LEU  48          1HD2      LEU  48 -16.061  -7.008   5.368
  430   2HD2  LEU  48          2HD2      LEU  48 -16.125  -7.891   3.842
  431   3HD2  LEU  48          3HD2      LEU  48 -17.619  -7.377   4.625
  432    H    GLY  49           H        GLY  49 -19.742  -2.354   3.954
  433   1HA   GLY  49          2HA       GLY  49 -20.969  -0.855   5.284
  434   2HA   GLY  49          1HA       GLY  49 -21.065  -2.103   6.522
  435    H    ILE  50           H        ILE  50 -18.181  -2.466   6.809
  436    HA   ILE  50           HA       ILE  50 -17.579  -0.615   8.828
  437    HB   ILE  50           HB       ILE  50 -15.121  -1.145   8.257
  438   1HG1  ILE  50          2HG1      ILE  50 -15.186  -3.373   6.811
  439   2HG1  ILE  50          1HG1      ILE  50 -16.604  -2.603   6.099
  440   1HG2  ILE  50          1HG2      ILE  50 -17.077  -3.411   8.738
  441   2HG2  ILE  50          2HG2      ILE  50 -16.449  -2.321   9.974
  442   3HG2  ILE  50          3HG2      ILE  50 -15.360  -3.430   9.140
  443   1HD1  ILE  50          1HD1      ILE  50 -14.780  -0.533   6.165
  444   2HD1  ILE  50          2HD1      ILE  50 -15.117  -1.534   4.752
  445   3HD1  ILE  50          3HD1      ILE  50 -13.758  -1.924   5.806
  446    HA   PRO  51           HA       PRO  51 -16.717   3.197   6.839
  447   1HB   PRO  51          2HB       PRO  51 -14.803   4.245   8.480
  448   2HB   PRO  51          1HB       PRO  51 -16.508   4.098   8.954
  449   1HG   PRO  51          2HG       PRO  51 -14.212   2.285   9.586
  450   2HG   PRO  51          1HG       PRO  51 -15.473   2.921  10.663
  451   1HD   PRO  51          2HD       PRO  51 -15.642   0.425   9.658
  452   2HD   PRO  51          1HD       PRO  51 -17.094   1.426   9.875
  453    H    ILE  52           H        ILE  52 -15.203   4.293   5.497
  454    HA   ILE  52           HA       ILE  52 -13.293   2.675   4.132
  455    HB   ILE  52           HB       ILE  52 -13.366   5.707   4.256
  456   1HG1  ILE  52          2HG1      ILE  52 -14.860   3.835   2.394
  457   2HG1  ILE  52          1HG1      ILE  52 -15.596   4.686   3.751
  458   1HG2  ILE  52          1HG2      ILE  52 -12.425   5.524   1.975
  459   2HG2  ILE  52          2HG2      ILE  52 -12.408   3.767   2.127
  460   3HG2  ILE  52          3HG2      ILE  52 -11.375   4.751   3.163
  461   1HD1  ILE  52          1HD1      ILE  52 -14.181   6.025   1.425
  462   2HD1  ILE  52          2HD1      ILE  52 -15.004   6.844   2.754
  463   3HD1  ILE  52          3HD1      ILE  52 -15.932   5.887   1.599
  464    H    ASN  53           H        ASN  53 -12.920   5.109   6.699
  465    HA   ASN  53           HA       ASN  53 -10.046   4.965   6.738
  466   1HB   ASN  53          2HB       ASN  53 -11.638   6.768   7.791
  467   2HB   ASN  53          1HB       ASN  53 -11.673   5.668   9.171
  468   1HD2  ASN  53          1HD2      ASN  53 -10.137   6.275  10.691
  469   2HD2  ASN  53          2HD2      ASN  53  -8.580   6.862  10.336
  470    H    ASP  54           H        ASP  54  -8.848   3.283   7.430
  471    HA   ASP  54           HA       ASP  54  -9.877   1.639   9.679
  472   1HB   ASP  54          2HB       ASP  54  -8.634   0.358   7.253
  473   2HB   ASP  54          1HB       ASP  54  -9.567  -0.403   8.541
  474    HA   PRO  55           HA       PRO  55  -5.362   3.228   9.932
  475   1HB   PRO  55          2HB       PRO  55  -5.807   3.286  12.748
  476   2HB   PRO  55          1HB       PRO  55  -5.722   4.685  11.660
  477   1HG   PRO  55          2HG       PRO  55  -8.100   3.207  12.660
  478   2HG   PRO  55          1HG       PRO  55  -7.894   4.937  12.328
  479   1HD   PRO  55          2HD       PRO  55  -9.308   3.498  10.632
  480   2HD   PRO  55          1HD       PRO  55  -8.106   4.639   9.984
  481    H    GLU  56           H        GLU  56  -7.005   1.227  12.404
  482    HA   GLU  56           HA       GLU  56  -5.125  -0.450  13.343
  483   1HB   GLU  56          2HB       GLU  56  -7.740  -1.315  12.075
  484   2HB   GLU  56          1HB       GLU  56  -6.743  -2.370  13.075
  485   1HG   GLU  56          2HG       GLU  56  -6.948  -0.824  14.967
  486   2HG   GLU  56          1HG       GLU  56  -7.878   0.298  13.974
  487    H    ARG  57           H        ARG  57  -6.708  -1.290  10.249
  488    HA   ARG  57           HA       ARG  57  -4.864  -3.209   9.360
  489   1HB   ARG  57          2HB       ARG  57  -6.855  -2.923   8.085
  490   2HB   ARG  57          1HB       ARG  57  -6.554  -1.202   7.865
  491   1HG   ARG  57          2HG       ARG  57  -6.070  -2.435   5.794
  492   2HG   ARG  57          1HG       ARG  57  -4.600  -1.716   6.444
  493   1HD   ARG  57          2HD       ARG  57  -3.890  -3.820   7.358
  494   2HD   ARG  57          1HD       ARG  57  -5.445  -4.559   6.976
  495    HE   ARG  57           HE       ARG  57  -4.595  -3.764   4.500
  496   1HH1  ARG  57          1HH2      ARG  57  -3.171  -5.512   7.122
  497   2HH1  ARG  57          2HH2      ARG  57  -2.281  -6.598   6.090
  498   1HH2  ARG  57          1HH1      ARG  57  -3.404  -5.153   3.150
  499   2HH2  ARG  57          2HH1      ARG  57  -2.435  -6.405   3.855
  500    H    GLU  58           H        GLU  58  -4.779   0.325   8.887
  501    HA   GLU  58           HA       GLU  58  -2.360   0.393   7.365
  502   1HB   GLU  58          2HB       GLU  58  -3.453   2.486   9.281
  503   2HB   GLU  58          1HB       GLU  58  -2.261   2.767   8.010
  504   1HG   GLU  58          2HG       GLU  58  -3.880   2.176   6.289
  505   2HG   GLU  58          1HG       GLU  58  -5.068   1.728   7.514
  506    H    LYS  59           H        LYS  59  -2.993   0.343  10.856
  507    HA   LYS  59           HA       LYS  59  -0.324   0.900  11.734
  508   1HB   LYS  59          2HB       LYS  59  -2.471  -0.815  13.041
  509   2HB   LYS  59          1HB       LYS  59  -1.025  -0.211  13.849
  510   1HG   LYS  59          2HG       LYS  59  -2.922   1.694  12.478
  511   2HG   LYS  59          1HG       LYS  59  -3.242   1.133  14.118
  512   1HD   LYS  59          2HD       LYS  59  -1.031   1.949  14.839
  513   2HD   LYS  59          1HD       LYS  59  -0.700   2.506  13.199
  514   1HE   LYS  59          2HE       LYS  59  -1.467   4.427  14.398
  515   2HE   LYS  59          1HE       LYS  59  -2.817   3.916  13.387
  516   1HZ   LYS  59          1HZ       LYS  59  -4.023   3.762  15.219
  517   2HZ   LYS  59          2HZ       LYS  59  -2.679   4.104  16.202
  518   3HZ   LYS  59          3HZ       LYS  59  -3.024   2.501  15.757
  519    H    TYR  60           H        TYR  60  -1.999  -2.117  10.906
  520    HA   TYR  60           HA       TYR  60   0.035  -3.967  11.586
  521   1HB   TYR  60          2HB       TYR  60  -2.162  -4.764  10.985
  522   2HB   TYR  60          1HB       TYR  60  -2.057  -4.013   9.395
  523    HD1  TYR  60           1HD      TYR  60  -1.055  -5.148   7.565
  524    HD2  TYR  60           2HD      TYR  60  -0.555  -6.654  11.558
  525    HE1  TYR  60           1HE      TYR  60  -0.000  -7.202   6.658
  526    HE2  TYR  60           2HE      TYR  60   0.493  -8.711  10.648
  527    HH   TYR  60           HH       TYR  60   1.304  -9.708   8.821
  528    H    ILE  61           H        ILE  61  -0.432  -2.000   8.675
  529    HA   ILE  61           HA       ILE  61   1.650  -3.138   7.083
  530    HB   ILE  61           HB       ILE  61   0.543  -0.316   7.184
  531   1HG1  ILE  61          2HG1      ILE  61  -1.093  -2.047   6.542
  532   2HG1  ILE  61          1HG1      ILE  61  -0.684  -1.034   5.159
  533   1HG2  ILE  61          1HG2      ILE  61   2.729  -0.198   6.185
  534   2HG2  ILE  61          2HG2      ILE  61   1.553  -0.158   4.869
  535   3HG2  ILE  61          3HG2      ILE  61   2.428  -1.647   5.226
  536   1HD1  ILE  61          1HD1      ILE  61   1.186  -2.921   4.826
  537   2HD1  ILE  61          2HD1      ILE  61  -0.438  -3.096   4.160
  538   3HD1  ILE  61          3HD1      ILE  61  -0.015  -3.894   5.675
  539    H    TYR  62           H        TYR  62   1.676  -0.498   9.480
  540    HA   TYR  62           HA       TYR  62   4.349   0.366   9.141
  541   1HB   TYR  62          2HB       TYR  62   2.478   0.304  11.517
  542   2HB   TYR  62          1HB       TYR  62   4.138   0.870  11.705
  543    HD1  TYR  62           1HD      TYR  62   1.641   1.262   8.916
  544    HD2  TYR  62           2HD      TYR  62   4.136   3.203  11.829
  545    HE1  TYR  62           1HE      TYR  62   0.981   3.478   8.011
  546    HE2  TYR  62           2HE      TYR  62   3.480   5.414  10.919
  547    HH   TYR  62           HH       TYR  62   1.943   6.473   9.596
  548    H    ASP  63           H        ASP  63   3.035  -2.258  11.154
  549    HA   ASP  63           HA       ASP  63   5.594  -3.060  12.223
  550   1HB   ASP  63          2HB       ASP  63   2.831  -4.244  12.114
  551   2HB   ASP  63          1HB       ASP  63   4.185  -5.270  12.588
  552    H    ARG  64           H        ARG  64   3.669  -4.001   9.407
  553    HA   ARG  64           HA       ARG  64   5.273  -6.296   8.684
  554   1HB   ARG  64          2HB       ARG  64   2.936  -5.959   7.871
  555   2HB   ARG  64          1HB       ARG  64   3.482  -4.579   6.921
  556   1HG   ARG  64          2HG       ARG  64   4.911  -5.989   5.565
  557   2HG   ARG  64          1HG       ARG  64   4.609  -7.372   6.612
  558   1HD   ARG  64          2HD       ARG  64   3.213  -7.574   4.616
  559   2HD   ARG  64          1HD       ARG  64   2.187  -7.296   6.023
  560    HE   ARG  64           HE       ARG  64   2.842  -4.779   4.809
  561   1HH1  ARG  64          1HH2      ARG  64   1.221  -7.634   4.139
  562   2HH1  ARG  64          2HH2      ARG  64   0.171  -6.952   2.953
  563   1HH2  ARG  64          1HH1      ARG  64   1.490  -3.758   3.296
  564   2HH2  ARG  64          2HH1      ARG  64   0.303  -4.724   2.473
  565    H    ILE  65           H        ILE  65   5.200  -2.915   7.548
  566    HA   ILE  65           HA       ILE  65   7.271  -3.193   5.599
  567    HB   ILE  65           HB       ILE  65   6.422  -0.772   7.217
  568   1HG1  ILE  65          2HG1      ILE  65   4.622  -1.667   5.817
  569   2HG1  ILE  65          1HG1      ILE  65   5.225  -0.164   5.120
  570   1HG2  ILE  65          1HG2      ILE  65   8.628  -0.353   6.378
  571   2HG2  ILE  65          2HG2      ILE  65   7.507   0.479   5.302
  572   3HG2  ILE  65          3HG2      ILE  65   8.232  -1.051   4.808
  573   1HD1  ILE  65          1HD1      ILE  65   6.817  -1.778   3.774
  574   2HD1  ILE  65          2HD1      ILE  65   5.155  -1.539   3.237
  575   3HD1  ILE  65          3HD1      ILE  65   5.587  -2.982   4.154
  576    H    ARG  66           H        ARG  66   7.403  -2.290   9.057
  577    HA   ARG  66           HA       ARG  66  10.153  -1.647   9.216
  578   1HB   ARG  66          2HB       ARG  66   8.249  -2.875  11.228
  579   2HB   ARG  66          1HB       ARG  66   9.930  -2.549  11.631
  580   1HG   ARG  66          2HG       ARG  66   9.657  -0.199  11.227
  581   2HG   ARG  66          1HG       ARG  66   8.057  -0.442  10.533
  582   1HD   ARG  66          2HD       ARG  66   8.522  -1.425  13.303
  583   2HD   ARG  66          1HD       ARG  66   8.384   0.309  13.078
  584    HE   ARG  66           HE       ARG  66   6.229  -1.066  11.726
  585   1HH1  ARG  66          1HH2      ARG  66   7.411  -0.507  14.839
  586   2HH1  ARG  66          2HH2      ARG  66   5.859  -0.700  15.614
  587   1HH2  ARG  66          1HH1      ARG  66   4.184  -1.278  12.640
  588   2HH2  ARG  66          2HH1      ARG  66   4.030  -1.162  14.364
  589    H    LYS  67           H        LYS  67   8.552  -4.825   9.362
  590    HA   LYS  67           HA       LYS  67  10.909  -6.340   9.993
  591   1HB   LYS  67          2HB       LYS  67   8.585  -7.205  10.233
  592   2HB   LYS  67          1HB       LYS  67   8.436  -7.237   8.477
  593   1HG   LYS  67          2HG       LYS  67  10.310  -8.836   8.339
  594   2HG   LYS  67          1HG       LYS  67  10.482  -8.794  10.094
  595   1HD   LYS  67          2HD       LYS  67   8.166  -9.648  10.336
  596   2HD   LYS  67          1HD       LYS  67   8.017  -9.718   8.580
  597   1HE   LYS  67          2HE       LYS  67  10.171 -11.197  10.115
  598   2HE   LYS  67          1HE       LYS  67   8.621 -11.921   9.687
  599   1HZ   LYS  67          1HZ       LYS  67  10.624 -10.808   7.794
  600   2HZ   LYS  67          2HZ       LYS  67   9.102 -11.418   7.350
  601   3HZ   LYS  67          3HZ       LYS  67  10.268 -12.451   8.029
  602    H    LEU  68           H        LEU  68   9.284  -5.760   6.844
  603    HA   LEU  68           HA       LEU  68  11.323  -7.067   5.287
  604   1HB   LEU  68          2HB       LEU  68   9.386  -4.867   4.499
  605   2HB   LEU  68          1HB       LEU  68  10.339  -5.824   3.368
  606    HG   LEU  68           HG       LEU  68   8.356  -7.017   5.329
  607   1HD1  LEU  68          1HD1      LEU  68   7.030  -5.740   3.831
  608   2HD1  LEU  68          2HD1      LEU  68   7.039  -7.359   3.133
  609   3HD1  LEU  68          3HD1      LEU  68   8.081  -6.105   2.461
  610   1HD2  LEU  68          1HD2      LEU  68   9.859  -8.723   4.695
  611   2HD2  LEU  68          2HD2      LEU  68  10.055  -8.070   3.068
  612   3HD2  LEU  68          3HD2      LEU  68   8.559  -8.889   3.515
  613    H    CYS  69           H        CYS  69  10.964  -3.822   6.584
  614    HA   CYS  69           HA       CYS  69  12.842  -2.421   5.006
  615   1HB   CYS  69          2HB       CYS  69  11.308  -1.516   6.858
  616   2HB   CYS  69          1HB       CYS  69  12.558  -2.029   7.991
  617    HG   CYS  69           HG       CYS  69  13.903  -0.052   7.353
  618    H    LYS  70           H        LYS  70  13.428  -4.127   8.097
  619    HA   LYS  70           HA       LYS  70  16.269  -3.788   8.059
  620   1HB   LYS  70          2HB       LYS  70  14.773  -6.120   9.279
  621   2HB   LYS  70          1HB       LYS  70  16.334  -5.473   9.777
  622   1HG   LYS  70          2HG       LYS  70  13.665  -4.037   9.968
  623   2HG   LYS  70          1HG       LYS  70  14.583  -4.710  11.315
  624   1HD   LYS  70          2HD       LYS  70  16.506  -3.184  10.552
  625   2HD   LYS  70          1HD       LYS  70  15.301  -2.358   9.562
  626   1HE   LYS  70          2HE       LYS  70  13.948  -1.878  11.544
  627   2HE   LYS  70          1HE       LYS  70  15.073  -2.783  12.557
  628   1HZ   LYS  70          1HZ       LYS  70  15.207  -0.123  12.016
  629   2HZ   LYS  70          2HZ       LYS  70  16.371  -0.784  10.970
  630   3HZ   LYS  70          3HZ       LYS  70  16.466  -1.070  12.642
  631    H    GLU  71           H        GLU  71  14.131  -6.209   6.638
  632    HA   GLU  71           HA       GLU  71  16.082  -8.181   6.000
  633   1HB   GLU  71          2HB       GLU  71  13.487  -7.434   4.633
  634   2HB   GLU  71          1HB       GLU  71  14.452  -8.838   4.181
  635   1HG   GLU  71          2HG       GLU  71  13.409  -8.334   6.979
  636   2HG   GLU  71          1HG       GLU  71  12.607  -9.365   5.795
  637    H    HIS  72           H        HIS  72  14.749  -5.614   3.869
  638    HA   HIS  72           HA       HIS  72  16.683  -6.199   1.785
  639   1HB   HIS  72          2HB       HIS  72  14.934  -3.750   2.143
  640   2HB   HIS  72          1HB       HIS  72  15.746  -4.245   0.659
  641    HD1  HIS  72           1HD      HIS  72  15.008  -6.759  -0.211
  642    HD2  HIS  72           2HD      HIS  72  12.392  -4.828   2.402
  643    HE1  HIS  72           1HE      HIS  72  12.772  -7.933  -0.436
  644    HE2  HIS  72           2HE      HIS  72  11.173  -6.764   1.150
  645    H    ASN  73           H        ASN  73  17.009  -4.681   4.731
  646    HA   ASN  73           HA       ASN  73  18.455  -2.982   5.547
  647   1HB   ASN  73          2HB       ASN  73  20.146  -4.705   3.722
  648   2HB   ASN  73          1HB       ASN  73  20.839  -3.460   4.770
  649   1HD2  ASN  73          1HD2      ASN  73  19.022  -3.807   7.017
  650   2HD2  ASN  73          2HD2      ASN  73  19.327  -5.333   7.709
  651    H    VAL  74           H        VAL  74  16.976  -2.256   3.026
  652    HA   VAL  74           HA       VAL  74  18.875  -0.760   1.402
  653    HB   VAL  74           HB       VAL  74  15.872  -0.911   1.553
  654   1HG1  VAL  74          1HG1      VAL  74  16.142   1.384   1.066
  655   2HG1  VAL  74          2HG1      VAL  74  16.000   0.628  -0.520
  656   3HG1  VAL  74          3HG1      VAL  74  17.585   1.097   0.094
  657   1HG2  VAL  74          1HG2      VAL  74  16.070  -1.918  -0.591
  658   2HG2  VAL  74          2HG2      VAL  74  17.376  -2.623   0.359
  659   3HG2  VAL  74          3HG2      VAL  74  17.722  -1.337  -0.798
  660    H    ASP  75           H        ASP  75  16.452   0.095   3.885
  661    HA   ASP  75           HA       ASP  75  18.074   2.375   4.722
  662   1HB   ASP  75          2HB       ASP  75  15.441   2.803   3.294
  663   2HB   ASP  75          1HB       ASP  75  16.187   4.024   4.325
  664    H    GLU  76           H        GLU  76  15.952   3.791   6.019
  665    HA   GLU  76           HA       GLU  76  14.729   1.732   7.794
  666   1HB   GLU  76          2HB       GLU  76  16.878   2.510   8.813
  667   2HB   GLU  76          1HB       GLU  76  16.245   4.157   8.807
  668   1HG   GLU  76          2HG       GLU  76  15.823   3.262  10.999
  669   2HG   GLU  76          1HG       GLU  76  14.276   3.294  10.152
  670    H    ASN  77           H        ASN  77  14.810   5.029   8.805
  671    HA   ASN  77           HA       ASN  77  11.982   5.288   8.884
  672   1HB   ASN  77          2HB       ASN  77  12.353   7.595   9.457
  673   2HB   ASN  77          1HB       ASN  77  13.647   6.654  10.197
  674   1HD2  ASN  77          1HD2      ASN  77  15.444   6.276   8.121
  675   2HD2  ASN  77          2HD2      ASN  77  15.991   7.771   7.529
  676    H    ILE  78           H        ILE  78  14.307   6.370   6.405
  677    HA   ILE  78           HA       ILE  78  12.602   7.963   4.845
  678    HB   ILE  78           HB       ILE  78  14.594   5.974   3.723
  679   1HG1  ILE  78          2HG1      ILE  78  15.705   8.578   3.992
  680   2HG1  ILE  78          1HG1      ILE  78  14.995   8.160   5.551
  681   1HG2  ILE  78          1HG2      ILE  78  13.477   8.625   2.764
  682   2HG2  ILE  78          2HG2      ILE  78  13.269   7.045   2.007
  683   3HG2  ILE  78          3HG2      ILE  78  14.855   7.816   2.018
  684   1HD1  ILE  78          1HD1      ILE  78  17.362   7.399   5.343
  685   2HD1  ILE  78          2HD1      ILE  78  16.883   6.372   3.991
  686   3HD1  ILE  78          3HD1      ILE  78  16.240   6.064   5.603
  687    H    GLY  79           H        GLY  79  12.943   4.416   4.782
  688   1HA   GLY  79          2HA       GLY  79  11.097   3.980   2.637
  689   2HA   GLY  79          1HA       GLY  79  11.560   2.773   3.837
  690    H    ILE  80           H        ILE  80  10.605   3.748   6.181
  691    HA   ILE  80           HA       ILE  80   7.802   3.200   6.021
  692    HB   ILE  80           HB       ILE  80   9.438   4.497   8.214
  693   1HG1  ILE  80          2HG1      ILE  80   8.339   1.683   7.939
  694   2HG1  ILE  80          1HG1      ILE  80  10.004   2.136   7.570
  695   1HG2  ILE  80          1HG2      ILE  80   7.171   5.141   8.602
  696   2HG2  ILE  80          2HG2      ILE  80   7.455   3.743   9.639
  697   3HG2  ILE  80          3HG2      ILE  80   6.565   3.555   8.127
  698   1HD1  ILE  80          1HD1      ILE  80   8.625   1.973  10.221
  699   2HD1  ILE  80          2HD1      ILE  80   9.888   3.186  10.015
  700   3HD1  ILE  80          3HD1      ILE  80  10.259   1.477   9.776
  701    H    LYS  81           H        LYS  81   9.570   6.280   6.340
  702    HA   LYS  81           HA       LYS  81   7.372   8.015   6.688
  703   1HB   LYS  81          2HB       LYS  81   9.792   8.672   6.760
  704   2HB   LYS  81          1HB       LYS  81   9.819   8.587   4.999
  705   1HG   LYS  81          2HG       LYS  81   8.080  10.317   4.870
  706   2HG   LYS  81          1HG       LYS  81   7.980  10.364   6.630
  707   1HD   LYS  81          2HD       LYS  81  10.662  10.777   5.378
  708   2HD   LYS  81          1HD       LYS  81   9.499  12.099   5.290
  709   1HE   LYS  81          2HE       LYS  81  10.211  10.676   7.870
  710   2HE   LYS  81          1HE       LYS  81  11.003  12.156   7.328
  711   1HZ   LYS  81          1HZ       LYS  81   8.543  12.962   7.089
  712   2HZ   LYS  81          2HZ       LYS  81   9.327  13.012   8.594
  713   3HZ   LYS  81          3HZ       LYS  81   8.245  11.752   8.240
  714    H    ILE  82           H        ILE  82   8.626   6.561   3.703
  715    HA   ILE  82           HA       ILE  82   6.964   8.096   1.909
  716    HB   ILE  82           HB       ILE  82   8.322   5.409   1.618
  717   1HG1  ILE  82          2HG1      ILE  82   9.037   8.098   0.419
  718   2HG1  ILE  82          1HG1      ILE  82   9.708   7.525   1.946
  719   1HG2  ILE  82          1HG2      ILE  82   6.771   7.112  -0.342
  720   2HG2  ILE  82          2HG2      ILE  82   6.581   5.391   0.000
  721   3HG2  ILE  82          3HG2      ILE  82   7.998   5.964  -0.879
  722   1HD1  ILE  82          1HD1      ILE  82   9.926   6.089  -0.719
  723   2HD1  ILE  82          2HD1      ILE  82  10.603   5.527   0.810
  724   3HD1  ILE  82          3HD1      ILE  82  11.218   7.001   0.062
  725    H    PHE  83           H        PHE  83   6.557   4.898   3.441
  726    HA   PHE  83           HA       PHE  83   4.186   4.133   2.079
  727   1HB   PHE  83          2HB       PHE  83   5.411   3.450   4.732
  728   2HB   PHE  83          1HB       PHE  83   3.778   2.886   4.373
  729    HD1  PHE  83           1HD      PHE  83   7.289   2.323   3.853
  730    HD2  PHE  83           2HD      PHE  83   3.403   1.615   2.161
  731    HE1  PHE  83           1HE      PHE  83   8.223   0.480   2.481
  732    HE2  PHE  83           2HE      PHE  83   4.340  -0.227   0.789
  733    HZ   PHE  83           HZ       PHE  83   6.749  -0.795   0.949
  734    H    GLN  84           H        GLN  84   4.416   5.579   5.352
  735    HA   GLN  84           HA       GLN  84   1.745   5.999   5.914
  736   1HB   GLN  84          2HB       GLN  84   2.507   8.112   7.095
  737   2HB   GLN  84          1HB       GLN  84   3.428   6.666   7.506
  738   1HG   GLN  84          2HG       GLN  84   5.206   7.309   5.965
  739   2HG   GLN  84          1HG       GLN  84   4.267   8.698   5.415
  740   1HE2  GLN  84          1HE2      GLN  84   5.446  10.468   6.258
  741   2HE2  GLN  84          2HE2      GLN  84   5.847  10.645   7.902
  742    H    ARG  85           H        ARG  85   3.759   7.825   3.657
  743    HA   ARG  85           HA       ARG  85   1.831   9.889   3.100
  744   1HB   ARG  85          2HB       ARG  85   4.298   9.977   2.521
  745   2HB   ARG  85          1HB       ARG  85   3.977   8.819   1.233
  746   1HG   ARG  85          2HG       ARG  85   3.818  10.845   0.079
  747   2HG   ARG  85          1HG       ARG  85   2.129  10.575   0.518
  748   1HD   ARG  85          2HD       ARG  85   2.866  12.903   1.048
  749   2HD   ARG  85          1HD       ARG  85   2.383  12.025   2.476
  750    HE   ARG  85           HE       ARG  85   5.178  11.646   2.194
  751   1HH1  ARG  85          1HH2      ARG  85   2.871  14.182   2.629
  752   2HH1  ARG  85          2HH2      ARG  85   4.010  15.294   3.319
  753   1HH2  ARG  85          1HH1      ARG  85   6.692  13.113   3.150
  754   2HH2  ARG  85          2HH1      ARG  85   6.153  14.698   3.594
  755    H    LEU  86           H        LEU  86   2.479   6.692   1.693
  756    HA   LEU  86           HA       LEU  86   0.564   6.926  -0.461
  757   1HB   LEU  86          2HB       LEU  86   1.643   4.439   0.901
  758   2HB   LEU  86          1HB       LEU  86   0.822   4.484  -0.657
  759    HG   LEU  86           HG       LEU  86   3.426   5.892  -0.003
  760   1HD1  LEU  86          1HD1      LEU  86   4.452   4.226  -1.482
  761   2HD1  LEU  86          2HD1      LEU  86   2.883   3.464  -1.739
  762   3HD1  LEU  86          3HD1      LEU  86   3.630   3.424  -0.143
  763   1HD2  LEU  86          1HD2      LEU  86   2.474   7.186  -1.690
  764   2HD2  LEU  86          2HD2      LEU  86   1.621   5.816  -2.403
  765   3HD2  LEU  86          3HD2      LEU  86   3.361   5.990  -2.635
  766    H    ILE  87           H        ILE  87   0.351   5.995   2.918
  767    HA   ILE  87           HA       ILE  87  -2.172   4.641   2.811
  768    HB   ILE  87           HB       ILE  87  -1.043   6.284   5.095
  769   1HG1  ILE  87          2HG1      ILE  87   0.618   4.660   4.351
  770   2HG1  ILE  87          1HG1      ILE  87  -0.103   4.093   5.857
  771   1HG2  ILE  87          1HG2      ILE  87  -3.069   4.039   4.943
  772   2HG2  ILE  87          2HG2      ILE  87  -3.349   5.695   5.484
  773   3HG2  ILE  87          3HG2      ILE  87  -2.353   4.608   6.451
  774   1HD1  ILE  87          1HD1      ILE  87  -0.507   3.067   3.061
  775   2HD1  ILE  87          2HD1      ILE  87  -1.780   2.849   4.261
  776   3HD1  ILE  87          3HD1      ILE  87  -0.179   2.162   4.539
  777    H    GLU  88           H        GLU  88  -1.350   8.064   3.397
  778    HA   GLU  88           HA       GLU  88  -4.044   8.969   3.776
  779   1HB   GLU  88          2HB       GLU  88  -1.560  10.392   2.777
  780   2HB   GLU  88          1HB       GLU  88  -3.076  11.215   3.140
  781   1HG   GLU  88          2HG       GLU  88  -2.969  10.440   5.466
  782   2HG   GLU  88          1HG       GLU  88  -1.493   9.540   5.112
  783    H    HIS  89           H        HIS  89  -1.962   8.870   0.878
  784    HA   HIS  89           HA       HIS  89  -3.887   9.954  -0.931
  785   1HB   HIS  89          2HB       HIS  89  -2.198   9.706  -2.406
  786   2HB   HIS  89          1HB       HIS  89  -1.250   9.056  -1.074
  787    HD1  HIS  89           1HD      HIS  89  -1.103   6.435  -0.876
  788    HD2  HIS  89           2HD      HIS  89  -3.022   7.806  -4.319
  789    HE1  HIS  89           1HE      HIS  89  -1.196   4.472  -2.477
  790    HE2  HIS  89           2HE      HIS  89  -2.361   5.296  -4.575
  791    H    ASN  90           H        ASN  90  -3.466   6.760   0.417
  792    HA   ASN  90           HA       ASN  90  -5.104   5.320  -1.472
  793   1HB   ASN  90          2HB       ASN  90  -3.462   4.460   0.401
  794   2HB   ASN  90          1HB       ASN  90  -4.888   4.561   1.435
  795   1HD2  ASN  90          1HD2      ASN  90  -3.541   2.923  -1.426
  796   2HD2  ASN  90          2HD2      ASN  90  -4.682   1.665  -1.450
  797    H    LYS  91           H        LYS  91  -5.762   6.908   1.653
  798    HA   LYS  91           HA       LYS  91  -8.617   6.284   1.565
  799   1HB   LYS  91          2HB       LYS  91  -8.670   7.132   3.697
  800   2HB   LYS  91          1HB       LYS  91  -6.920   6.942   3.589
  801   1HG   LYS  91          2HG       LYS  91  -6.820   9.306   2.675
  802   2HG   LYS  91          1HG       LYS  91  -8.527   9.461   3.087
  803   1HD   LYS  91          2HD       LYS  91  -8.022   8.971   5.445
  804   2HD   LYS  91          1HD       LYS  91  -6.317   8.767   5.049
  805   1HE   LYS  91          2HE       LYS  91  -6.216  11.116   4.280
  806   2HE   LYS  91          1HE       LYS  91  -7.918  11.320   4.692
  807   1HZ   LYS  91          1HZ       LYS  91  -6.372  10.227   6.844
  808   2HZ   LYS  91          2HZ       LYS  91  -7.434  11.553   6.837
  809   3HZ   LYS  91          3HZ       LYS  91  -5.816  11.754   6.360
  810    H    ALA  92           H        ALA  92  -6.639   8.473  -0.008
  811    HA   ALA  92           HA       ALA  92  -8.381  10.786  -0.079
  812   1HB   ALA  92          1HB       ALA  92  -5.920  10.857  -0.535
  813   2HB   ALA  92          2HB       ALA  92  -6.895  11.614  -1.795
  814   3HB   ALA  92          3HB       ALA  92  -6.226  10.003  -2.049
  815    H    LEU  93           H        LEU  93  -7.551   8.426  -2.665
  816    HA   LEU  93           HA       LEU  93  -9.797   9.368  -4.261
  817   1HB   LEU  93          2HB       LEU  93  -9.011   7.911  -5.959
  818   2HB   LEU  93          1HB       LEU  93  -7.575   8.540  -5.167
  819    HG   LEU  93           HG       LEU  93  -7.228   6.201  -5.510
  820   1HD1  LEU  93          1HD1      LEU  93  -8.092   6.478  -2.627
  821   2HD1  LEU  93          2HD1      LEU  93  -6.598   7.157  -3.275
  822   3HD1  LEU  93          3HD1      LEU  93  -6.847   5.412  -3.278
  823   1HD2  LEU  93          1HD2      LEU  93  -8.835   4.611  -5.394
  824   2HD2  LEU  93          2HD2      LEU  93  -9.953   5.975  -5.410
  825   3HD2  LEU  93          3HD2      LEU  93  -9.482   5.240  -3.878
  826    H    GLN  94           H        GLN  94  -9.454   7.046  -1.782
  827    HA   GLN  94           HA       GLN  94 -11.572   5.244  -2.612
  828   1HB   GLN  94          2HB       GLN  94 -10.153   5.836  -0.021
  829   2HB   GLN  94          1HB       GLN  94 -11.580   4.799  -0.034
  830   1HG   GLN  94          2HG       GLN  94 -10.503   3.358  -1.743
  831   2HG   GLN  94          1HG       GLN  94  -9.053   4.362  -1.663
  832   1HE2  GLN  94          1HE2      GLN  94  -7.731   4.238   0.278
  833   2HE2  GLN  94          2HE2      GLN  94  -7.929   2.972   1.405
  834    H    LYS  95           H        LYS  95 -11.405   7.977  -0.315
  835    HA   LYS  95           HA       LYS  95 -14.202   7.935   0.347
  836   1HB   LYS  95          2HB       LYS  95 -12.139  10.157   0.541
  837   2HB   LYS  95          1HB       LYS  95 -13.754  10.241   1.241
  838   1HG   LYS  95          2HG       LYS  95 -13.259   8.247   2.619
  839   2HG   LYS  95          1HG       LYS  95 -11.635   8.179   1.930
  840   1HD   LYS  95          2HD       LYS  95 -11.141  10.415   2.830
  841   2HD   LYS  95          1HD       LYS  95 -12.774  10.523   3.487
  842   1HE   LYS  95          2HE       LYS  95 -12.328   8.556   4.915
  843   2HE   LYS  95          1HE       LYS  95 -10.690   8.461   4.269
  844   1HZ   LYS  95          1HZ       LYS  95 -11.354  11.080   5.225
  845   2HZ   LYS  95          2HZ       LYS  95 -10.012  10.102   5.588
  846   3HZ   LYS  95          3HZ       LYS  95 -11.467   9.904   6.443
  847    H    GLN  96           H        GLN  96 -12.308   9.761  -2.050
  848    HA   GLN  96           HA       GLN  96 -14.564  11.358  -2.927
  849   1HB   GLN  96          2HB       GLN  96 -13.059  12.383  -4.329
  850   2HB   GLN  96          1HB       GLN  96 -11.898  11.621  -3.242
  851   1HG   GLN  96          2HG       GLN  96 -11.917   9.614  -4.801
  852   2HG   GLN  96          1HG       GLN  96 -12.842  10.601  -5.932
  853   1HE2  GLN  96          1HE2      GLN  96 -11.290  11.039  -7.554
  854   2HE2  GLN  96          2HE2      GLN  96  -9.795  11.784  -7.253
  855    H    TYR  97           H        TYR  97 -13.064   8.340  -3.994
  856    HA   TYR  97           HA       TYR  97 -14.517   8.049  -6.447
  857   1HB   TYR  97          2HB       TYR  97 -12.550   6.699  -6.041
  858   2HB   TYR  97          1HB       TYR  97 -13.264   6.014  -4.583
  859    HD1  TYR  97           1HD      TYR  97 -14.519   4.025  -4.703
  860    HD2  TYR  97           2HD      TYR  97 -13.825   6.312  -8.271
  861    HE1  TYR  97           1HE      TYR  97 -15.576   2.233  -6.057
  862    HE2  TYR  97           2HE      TYR  97 -14.880   4.521  -9.624
  863    HH   TYR  97           HH       TYR  97 -15.497   1.430  -8.422
  864    H    LEU  98           H        LEU  98 -15.104   6.597  -3.222
  865    HA   LEU  98           HA       LEU  98 -17.541   5.295  -3.910
  866   1HB   LEU  98          2HB       LEU  98 -16.512   6.366  -1.272
  867   2HB   LEU  98          1HB       LEU  98 -18.018   5.463  -1.408
  868    HG   LEU  98           HG       LEU  98 -15.311   4.428  -2.312
  869   1HD1  LEU  98          1HD1      LEU  98 -15.833   2.860  -0.265
  870   2HD1  LEU  98          2HD1      LEU  98 -16.853   4.200   0.261
  871   3HD1  LEU  98          3HD1      LEU  98 -15.125   4.449   0.018
  872   1HD2  LEU  98          1HD2      LEU  98 -18.114   3.342  -2.292
  873   2HD2  LEU  98          2HD2      LEU  98 -16.765   2.231  -2.058
  874   3HD2  LEU  98          3HD2      LEU  98 -16.870   3.192  -3.533
  875    H    GLU  99           H        GLU  99 -16.917   8.573  -2.674
  876    HA   GLU  99           HA       GLU  99 -19.666   9.352  -2.389
  877   1HB   GLU  99          2HB       GLU  99 -17.731  10.598  -1.412
  878   2HB   GLU  99          1HB       GLU  99 -17.291  11.117  -3.040
  879   1HG   GLU  99          2HG       GLU  99 -18.601  12.881  -1.986
  880   2HG   GLU  99          1HG       GLU  99 -19.561  12.146  -3.272
  881    H    GLU 100           H        GLU 100 -17.401   9.518  -5.113
  882    HA   GLU 100           HA       GLU 100 -19.203  11.026  -6.803
  883   1HB   GLU 100          2HB       GLU 100 -17.480  11.053  -8.286
  884   2HB   GLU 100          1HB       GLU 100 -16.553  10.489  -6.897
  885   1HG   GLU 100          2HG       GLU 100 -15.981   8.943  -8.566
  886   2HG   GLU 100          1HG       GLU 100 -17.258   8.104  -7.686
  887    H    THR 101           H        THR 101 -18.998   7.692  -5.948
  888    HA   THR 101           HA       THR 101 -20.415   6.768  -8.361
  889    HB   THR 101           HB       THR 101 -20.558   4.612  -6.939
  890    HG1  THR 101           1HG      THR 101 -19.443   4.595  -5.103
  891   1HG2  THR 101          1HG2      THR 101 -18.931   4.998  -8.770
  892   2HG2  THR 101          2HG2      THR 101 -18.230   4.051  -7.457
  893   3HG2  THR 101          3HG2      THR 101 -17.837   5.764  -7.618
  894    H    LEU 102           H        LEU 102 -21.148   7.782  -5.089
  895    HA   LEU 102           HA       LEU 102 -23.878   6.741  -5.106
  896   1HB   LEU 102          2HB       LEU 102 -22.531   8.804  -3.329
  897   2HB   LEU 102          1HB       LEU 102 -24.146   8.149  -3.058
  898    HG   LEU 102           HG       LEU 102 -21.633   6.462  -3.226
  899   1HD1  LEU 102          1HD1      LEU 102 -23.238   7.256  -0.780
  900   2HD1  LEU 102          2HD1      LEU 102 -21.699   7.989  -1.232
  901   3HD1  LEU 102          3HD1      LEU 102 -21.771   6.279  -0.806
  902   1HD2  LEU 102          1HD2      LEU 102 -24.552   5.931  -2.763
  903   2HD2  LEU 102          2HD2      LEU 102 -23.363   4.897  -1.974
  904   3HD2  LEU 102          3HD2      LEU 102 -23.396   5.019  -3.732
  905    H    GLU 103           H        GLU 103 -22.272   9.661  -6.140
  906    HA   GLU 103           HA       GLU 103 -24.729  11.248  -6.358
  907   1HB   GLU 103          2HB       GLU 103 -21.907  11.658  -7.390
  908   2HB   GLU 103          1HB       GLU 103 -23.203  12.834  -7.589
  909   1HG   GLU 103          2HG       GLU 103 -23.441  13.022  -5.159
  910   2HG   GLU 103          1HG       GLU 103 -22.199  11.790  -4.923
  911    H    HIS 104           H        HIS 104 -23.144   8.882  -8.190
  912    HA   HIS 104           HA       HIS 104 -24.093   9.801 -10.828
  913   1HB   HIS 104          2HB       HIS 104 -21.921   8.516 -10.503
  914   2HB   HIS 104          1HB       HIS 104 -22.884   7.104 -10.071
  915    HD1  HIS 104           1HD      HIS 104 -22.699   9.609 -12.967
  916    HD2  HIS 104           2HD      HIS 104 -23.539   5.577 -12.285
  917    HE1  HIS 104           1HE      HIS 104 -23.205   8.586 -15.231
  918    HE2  HIS 104           2HE      HIS 104 -23.719   6.136 -14.828
  919    H2   TSA 501           1H2      TSA 501  -4.291  -0.192   4.943
  920    H3   TSA 501           1H3      TSA 501  -6.516  -0.276   6.050
  921    H4   TSA 501           4H       TSA 501  -8.448   0.817   4.963
  922    HO5  TSA 501           HO5      TSA 501  -7.342   2.005   6.608
  923    H5   TSA 501           5H       TSA 501  -7.935   2.825   3.355
  924   1H6   TSA 501          1H6       TSA 501  -5.752   2.669   2.124
  925   2H6   TSA 501          2H6       TSA 501  -5.411   2.879   3.783
  926    H8   TSA 501           8H       TSA 501  -7.563  -0.364   0.940
  927   1H9   TSA 501          1H9       TSA 501  -5.235  -0.988   1.953
  928   2H9   TSA 501          2H9       TSA 501  -5.341   0.341   0.960
  Start of MODEL    9
    1   1H    MET   1          1HT       MET   1 -14.618 -11.952  -2.831
    2   2H    MET   1          2HT       MET   1 -16.123 -11.877  -3.614
    3   3H    MET   1          3HT       MET   1 -15.898 -12.926  -2.295
    4    HA   MET   1           HA       MET   1 -16.252 -10.010  -2.328
    5   1HB   MET   1          2HB       MET   1 -17.172 -12.236  -0.468
    6   2HB   MET   1          1HB       MET   1 -17.665 -10.545  -0.370
    7   1HG   MET   1          2HG       MET   1 -19.429 -11.525  -1.567
    8   2HG   MET   1          1HG       MET   1 -18.415 -10.863  -2.847
    9   1HE   MET   1          1HE       MET   1 -20.100 -14.352  -3.894
   10   2HE   MET   1          2HE       MET   1 -19.719 -12.798  -4.630
   11   3HE   MET   1          3HE       MET   1 -20.626 -12.849  -3.120
   12    H    ILE   2           H        ILE   2 -15.725 -12.001   0.523
   13    HA   ILE   2           HA       ILE   2 -13.863 -10.167   1.704
   14    HB   ILE   2           HB       ILE   2 -14.486 -13.081   2.305
   15   1HG1  ILE   2          2HG1      ILE   2 -15.287 -10.558   3.793
   16   2HG1  ILE   2          1HG1      ILE   2 -16.311 -11.326   2.580
   17   1HG2  ILE   2          1HG2      ILE   2 -12.326 -12.703   3.226
   18   2HG2  ILE   2          2HG2      ILE   2 -13.443 -12.443   4.565
   19   3HG2  ILE   2          3HG2      ILE   2 -12.737 -11.061   3.726
   20   1HD1  ILE   2          1HD1      ILE   2 -15.284 -12.666   5.104
   21   2HD1  ILE   2          2HD1      ILE   2 -16.332 -13.413   3.900
   22   3HD1  ILE   2          3HD1      ILE   2 -16.921 -12.059   4.866
   23    H    GLU   3           H        GLU   3 -13.405 -13.271  -0.006
   24    HA   GLU   3           HA       GLU   3 -10.579 -13.457   0.328
   25   1HB   GLU   3          2HB       GLU   3 -12.056 -15.280  -0.575
   26   2HB   GLU   3          1HB       GLU   3 -12.195 -14.369  -2.078
   27   1HG   GLU   3          2HG       GLU   3 -10.442 -16.010  -2.373
   28   2HG   GLU   3          1HG       GLU   3  -9.680 -14.423  -2.254
   29    H    LYS   4           H        LYS   4 -12.555 -11.782  -2.100
   30    HA   LYS   4           HA       LYS   4 -10.500 -11.023  -3.901
   31   1HB   LYS   4          2HB       LYS   4 -13.071  -9.619  -3.114
   32   2HB   LYS   4          1HB       LYS   4 -12.055  -9.099  -4.458
   33   1HG   LYS   4          2HG       LYS   4 -12.323 -11.320  -5.521
   34   2HG   LYS   4          1HG       LYS   4 -13.334 -11.839  -4.173
   35   1HD   LYS   4          2HD       LYS   4 -14.964 -10.064  -4.699
   36   2HD   LYS   4          1HD       LYS   4 -13.958  -9.535  -6.046
   37   1HE   LYS   4          2HE       LYS   4 -14.222 -11.741  -7.122
   38   2HE   LYS   4          1HE       LYS   4 -15.218 -12.284  -5.771
   39   1HZ   LYS   4          1HZ       LYS   4 -16.022  -9.803  -7.065
   40   2HZ   LYS   4          2HZ       LYS   4 -16.976 -11.069  -6.453
   41   3HZ   LYS   4          3HZ       LYS   4 -16.230 -11.220  -7.971
   42    H    LEU   5           H        LEU   5 -11.650  -9.435  -0.934
   43    HA   LEU   5           HA       LEU   5 -10.055  -7.070  -1.096
   44   1HB   LEU   5          2HB       LEU   5 -11.917  -7.318   0.489
   45   2HB   LEU   5          1HB       LEU   5 -11.069  -8.621   1.314
   46    HG   LEU   5           HG       LEU   5  -9.539  -6.096   1.088
   47   1HD1  LEU   5          1HD1      LEU   5 -10.851  -5.137   3.054
   48   2HD1  LEU   5          2HD1      LEU   5 -12.107  -6.319   2.685
   49   3HD1  LEU   5          3HD1      LEU   5 -11.686  -5.084   1.501
   50   1HD2  LEU   5          1HD2      LEU   5  -8.821  -6.715   3.277
   51   2HD2  LEU   5          2HD2      LEU   5  -8.983  -8.242   2.409
   52   3HD2  LEU   5          3HD2      LEU   5 -10.239  -7.731   3.538
   53    H    ALA   6           H        ALA   6  -9.384 -10.303   0.194
   54    HA   ALA   6           HA       ALA   6  -6.852  -9.631   1.384
   55   1HB   ALA   6          1HB       ALA   6  -6.489 -12.089   1.414
   56   2HB   ALA   6          2HB       ALA   6  -7.914 -12.295   0.395
   57   3HB   ALA   6          3HB       ALA   6  -8.083 -11.654   2.029
   58    H    GLU   7           H        GLU   7  -7.615 -11.333  -1.676
   59    HA   GLU   7           HA       GLU   7  -4.985 -11.615  -2.612
   60   1HB   GLU   7          2HB       GLU   7  -7.499 -11.076  -4.224
   61   2HB   GLU   7          1HB       GLU   7  -5.975 -11.650  -4.905
   62   1HG   GLU   7          2HG       GLU   7  -7.547 -13.096  -2.752
   63   2HG   GLU   7          1HG       GLU   7  -7.586 -13.505  -4.468
   64    H    ILE   8           H        ILE   8  -7.115  -8.805  -2.800
   65    HA   ILE   8           HA       ILE   8  -5.483  -7.240  -4.555
   66    HB   ILE   8           HB       ILE   8  -7.481  -6.449  -2.417
   67   1HG1  ILE   8          2HG1      ILE   8  -7.714  -6.296  -5.434
   68   2HG1  ILE   8          1HG1      ILE   8  -8.206  -7.722  -4.523
   69   1HG2  ILE   8          1HG2      ILE   8  -7.323  -4.316  -4.111
   70   2HG2  ILE   8          2HG2      ILE   8  -5.639  -4.839  -4.076
   71   3HG2  ILE   8          3HG2      ILE   8  -6.462  -4.414  -2.575
   72   1HD1  ILE   8          1HD1      ILE   8  -9.250  -4.932  -3.957
   73   2HD1  ILE   8          2HD1      ILE   8  -9.846  -6.450  -3.280
   74   3HD1  ILE   8          3HD1      ILE   8 -10.076  -6.094  -4.992
   75    H    ARG   9           H        ARG   9  -5.616  -7.457  -1.000
   76    HA   ARG   9           HA       ARG   9  -3.590  -5.447  -0.545
   77   1HB   ARG   9          2HB       ARG   9  -4.642  -7.685   1.225
   78   2HB   ARG   9          1HB       ARG   9  -3.530  -6.435   1.779
   79   1HG   ARG   9          2HG       ARG   9  -5.297  -4.750   0.911
   80   2HG   ARG   9          1HG       ARG   9  -6.393  -6.125   0.854
   81   1HD   ARG   9          2HD       ARG   9  -5.926  -6.552   3.285
   82   2HD   ARG   9          1HD       ARG   9  -4.935  -5.097   3.311
   83    HE   ARG   9           HE       ARG   9  -7.379  -4.205   2.332
   84   1HH1  ARG   9          1HH2      ARG   9  -6.672  -6.418   4.845
   85   2HH1  ARG   9          2HH2      ARG   9  -7.591  -5.579   6.058
   86   1HH2  ARG   9          1HH1      ARG   9  -8.682  -3.114   3.868
   87   2HH2  ARG   9          2HH1      ARG   9  -8.715  -3.690   5.500
   88    H    LYS  10           H        LYS  10  -3.517  -8.831  -1.343
   89    HA   LYS  10           HA       LYS  10  -0.815  -9.406  -0.494
   90   1HB   LYS  10          2HB       LYS  10  -2.660 -10.637  -2.560
   91   2HB   LYS  10          1HB       LYS  10  -1.035 -11.248  -2.262
   92   1HG   LYS  10          2HG       LYS  10  -1.649 -11.508   0.161
   93   2HG   LYS  10          1HG       LYS  10  -3.306 -11.081  -0.264
   94   1HD   LYS  10          2HD       LYS  10  -3.383 -12.991  -1.840
   95   2HD   LYS  10          1HD       LYS  10  -1.742 -13.434  -1.369
   96   1HE   LYS  10          2HE       LYS  10  -2.489 -13.764   0.956
   97   2HE   LYS  10          1HE       LYS  10  -4.129 -13.301   0.502
   98   1HZ   LYS  10          1HZ       LYS  10  -3.972 -15.673   0.524
   99   2HZ   LYS  10          2HZ       LYS  10  -2.605 -15.652  -0.486
  100   3HZ   LYS  10          3HZ       LYS  10  -4.118 -15.171  -1.090
  101    H    LYS  11           H        LYS  11  -2.258  -8.125  -3.484
  102    HA   LYS  11           HA       LYS  11   0.112  -8.071  -5.083
  103   1HB   LYS  11          2HB       LYS  11  -2.139  -6.031  -5.132
  104   2HB   LYS  11          1HB       LYS  11  -1.038  -6.424  -6.451
  105   1HG   LYS  11          2HG       LYS  11  -2.120  -8.894  -5.812
  106   2HG   LYS  11          1HG       LYS  11  -3.485  -7.798  -5.590
  107   1HD   LYS  11          2HD       LYS  11  -1.738  -7.846  -8.070
  108   2HD   LYS  11          1HD       LYS  11  -3.288  -8.674  -7.935
  109   1HE   LYS  11          2HE       LYS  11  -4.422  -6.541  -7.508
  110   2HE   LYS  11          1HE       LYS  11  -2.879  -5.690  -7.574
  111   1HZ   LYS  11          1HZ       LYS  11  -3.310  -7.329  -9.872
  112   2HZ   LYS  11          2HZ       LYS  11  -2.923  -5.678  -9.780
  113   3HZ   LYS  11          3HZ       LYS  11  -4.543  -6.181  -9.682
  114    H    ILE  12           H        ILE  12  -1.246  -5.728  -2.768
  115    HA   ILE  12           HA       ILE  12   0.621  -3.624  -3.089
  116    HB   ILE  12           HB       ILE  12  -1.025  -4.637  -0.785
  117   1HG1  ILE  12          2HG1      ILE  12  -2.101  -2.486  -1.003
  118   2HG1  ILE  12          1HG1      ILE  12  -0.822  -1.892  -2.061
  119   1HG2  ILE  12          1HG2      ILE  12  -0.108  -2.545   0.450
  120   2HG2  ILE  12          2HG2      ILE  12   1.262  -2.673  -0.656
  121   3HG2  ILE  12          3HG2      ILE  12   0.886  -4.001   0.441
  122   1HD1  ILE  12          1HD1      ILE  12  -3.059  -2.719  -3.135
  123   2HD1  ILE  12          2HD1      ILE  12  -2.410  -4.331  -2.833
  124   3HD1  ILE  12          3HD1      ILE  12  -1.531  -3.208  -3.868
  125    H    ASP  13           H        ASP  13   0.855  -6.684  -1.333
  126    HA   ASP  13           HA       ASP  13   3.261  -6.222   0.102
  127   1HB   ASP  13          2HB       ASP  13   1.675  -8.238   0.227
  128   2HB   ASP  13          1HB       ASP  13   2.520  -8.853  -1.192
  129    H    GLU  14           H        GLU  14   2.748  -7.449  -3.208
  130    HA   GLU  14           HA       GLU  14   5.521  -7.804  -3.851
  131   1HB   GLU  14          2HB       GLU  14   3.120  -7.222  -5.618
  132   2HB   GLU  14          1HB       GLU  14   4.715  -7.649  -6.235
  133   1HG   GLU  14          2HG       GLU  14   4.623  -9.792  -5.017
  134   2HG   GLU  14          1HG       GLU  14   3.034  -9.366  -4.382
  135    H    ILE  15           H        ILE  15   3.493  -4.992  -3.612
  136    HA   ILE  15           HA       ILE  15   5.416  -3.297  -5.107
  137    HB   ILE  15           HB       ILE  15   2.761  -2.700  -3.769
  138   1HG1  ILE  15          2HG1      ILE  15   3.125  -2.104  -6.618
  139   2HG1  ILE  15          1HG1      ILE  15   3.316  -3.818  -6.252
  140   1HG2  ILE  15          1HG2      ILE  15   4.030  -0.706  -3.523
  141   2HG2  ILE  15          2HG2      ILE  15   3.087  -0.460  -4.993
  142   3HG2  ILE  15          3HG2      ILE  15   4.790  -0.902  -5.102
  143   1HD1  ILE  15          1HD1      ILE  15   0.933  -2.955  -6.780
  144   2HD1  ILE  15          2HD1      ILE  15   0.983  -2.241  -5.167
  145   3HD1  ILE  15          3HD1      ILE  15   1.133  -3.988  -5.365
  146    H    ASP  16           H        ASP  16   4.157  -3.789  -1.827
  147    HA   ASP  16           HA       ASP  16   5.396  -1.640  -0.488
  148   1HB   ASP  16          2HB       ASP  16   3.776  -3.421   0.428
  149   2HB   ASP  16          1HB       ASP  16   5.206  -4.422   0.675
  150    H    ASN  17           H        ASN  17   6.703  -4.963  -0.873
  151    HA   ASN  17           HA       ASN  17   9.306  -4.372   0.158
  152   1HB   ASN  17          2HB       ASN  17   8.281  -6.668  -0.241
  153   2HB   ASN  17          1HB       ASN  17   8.677  -6.442  -1.946
  154   1HD2  ASN  17          1HD2      ASN  17  10.415  -7.980  -2.084
  155   2HD2  ASN  17          2HD2      ASN  17  11.836  -7.847  -1.143
  156    H    LYS  18           H        LYS  18   7.920  -4.067  -3.070
  157    HA   LYS  18           HA       LYS  18  10.329  -3.718  -4.541
  158   1HB   LYS  18          2HB       LYS  18   8.067  -4.076  -5.537
  159   2HB   LYS  18          1HB       LYS  18   7.627  -2.436  -5.066
  160   1HG   LYS  18          2HG       LYS  18   9.464  -1.545  -6.475
  161   2HG   LYS  18          1HG       LYS  18   9.886  -3.189  -6.955
  162   1HD   LYS  18          2HD       LYS  18   7.618  -3.485  -7.917
  163   2HD   LYS  18          1HD       LYS  18   7.218  -1.829  -7.464
  164   1HE   LYS  18          2HE       LYS  18   9.004  -0.978  -8.922
  165   2HE   LYS  18          1HE       LYS  18   9.462  -2.627  -9.346
  166   1HZ   LYS  18          1HZ       LYS  18   6.702  -2.307  -9.766
  167   2HZ   LYS  18          2HZ       LYS  18   7.914  -2.635 -10.910
  168   3HZ   LYS  18          3HZ       LYS  18   7.507  -1.028 -10.535
  169    H    ILE  19           H        ILE  19   8.274  -1.312  -2.886
  170    HA   ILE  19           HA       ILE  19   9.890   0.937  -3.714
  171    HB   ILE  19           HB       ILE  19   7.580   1.291  -3.069
  172   1HG1  ILE  19          2HG1      ILE  19   9.667   2.860  -2.309
  173   2HG1  ILE  19          1HG1      ILE  19   7.980   3.303  -2.064
  174   1HG2  ILE  19          1HG2      ILE  19   7.173  -0.455  -1.508
  175   2HG2  ILE  19          2HG2      ILE  19   7.002   1.038  -0.583
  176   3HG2  ILE  19          3HG2      ILE  19   8.478   0.080  -0.452
  177   1HD1  ILE  19          1HD1      ILE  19   9.504   3.498  -0.020
  178   2HD1  ILE  19          2HD1      ILE  19   9.551   1.736  -0.013
  179   3HD1  ILE  19          3HD1      ILE  19   8.018   2.577   0.213
  180    H    LEU  20           H        LEU  20  10.064  -1.333  -1.063
  181    HA   LEU  20           HA       LEU  20  11.894   0.278   0.542
  182   1HB   LEU  20          2HB       LEU  20  11.086  -2.640   0.598
  183   2HB   LEU  20          1HB       LEU  20  12.280  -1.973   1.707
  184    HG   LEU  20           HG       LEU  20   9.428  -0.968   1.422
  185   1HD1  LEU  20          1HD1      LEU  20  10.716  -2.592   3.638
  186   2HD1  LEU  20          2HD1      LEU  20   9.640  -3.262   2.411
  187   3HD1  LEU  20          3HD1      LEU  20   9.032  -2.071   3.562
  188   1HD2  LEU  20          1HD2      LEU  20  10.274  -0.051   3.806
  189   2HD2  LEU  20          2HD2      LEU  20  10.501   0.869   2.317
  190   3HD2  LEU  20          3HD2      LEU  20  11.827  -0.094   2.971
  191    H    LYS  21           H        LYS  21  12.152  -1.781  -2.214
  192    HA   LYS  21           HA       LYS  21  14.927  -2.562  -1.829
  193   1HB   LYS  21          2HB       LYS  21  13.109  -2.571  -4.258
  194   2HB   LYS  21          1HB       LYS  21  14.778  -3.137  -4.301
  195   1HG   LYS  21          2HG       LYS  21  12.917  -4.213  -2.204
  196   2HG   LYS  21          1HG       LYS  21  12.833  -4.853  -3.845
  197   1HD   LYS  21          2HD       LYS  21  15.297  -5.311  -3.740
  198   2HD   LYS  21          1HD       LYS  21  15.282  -4.802  -2.052
  199   1HE   LYS  21          2HE       LYS  21  13.441  -6.974  -3.065
  200   2HE   LYS  21          1HE       LYS  21  15.076  -7.332  -2.510
  201   1HZ   LYS  21          1HZ       LYS  21  14.178  -7.427  -0.490
  202   2HZ   LYS  21          2HZ       LYS  21  12.731  -6.689  -0.988
  203   3HZ   LYS  21          3HZ       LYS  21  14.069  -5.736  -0.556
  204    H    ALA  22           H        ALA  22  16.762  -1.668  -2.920
  205    HA   ALA  22           HA       ALA  22  16.792   1.190  -3.109
  206   1HB   ALA  22          1HB       ALA  22  19.070   0.785  -4.196
  207   2HB   ALA  22          2HB       ALA  22  18.739  -0.939  -4.021
  208   3HB   ALA  22          3HB       ALA  22  18.850   0.087  -2.592
  209    H    ARG  23           H        ARG  23  14.759   1.035  -4.645
  210    HA   ARG  23           HA       ARG  23  14.361   0.388  -7.164
  211   1HB   ARG  23          2HB       ARG  23  13.926   2.880  -7.790
  212   2HB   ARG  23          1HB       ARG  23  13.023   2.226  -6.426
  213   1HG   ARG  23          2HG       ARG  23  14.628   3.202  -4.848
  214   2HG   ARG  23          1HG       ARG  23  15.613   3.805  -6.183
  215   1HD   ARG  23          2HD       ARG  23  13.706   5.280  -6.866
  216   2HD   ARG  23          1HD       ARG  23  12.751   4.647  -5.516
  217    HE   ARG  23           HE       ARG  23  15.050   5.630  -4.266
  218   1HH1  ARG  23          1HH2      ARG  23  12.760   6.848  -6.571
  219   2HH1  ARG  23          2HH2      ARG  23  12.811   8.478  -5.982
  220   1HH2  ARG  23          1HH1      ARG  23  15.125   7.791  -3.495
  221   2HH2  ARG  23          2HH1      ARG  23  14.147   9.008  -4.248
  222    H    TRP  24           H        TRP  24  16.468  -0.475  -7.902
  223    HA   TRP  24           HA       TRP  24  18.667   1.288  -8.567
  224   1HB   TRP  24          2HB       TRP  24  18.014  -1.552  -8.820
  225   2HB   TRP  24          1HB       TRP  24  18.860  -0.940 -10.239
  226    HD1  TRP  24           HD       TRP  24  19.267  -0.969  -6.386
  227    HE1  TRP  24           1HE      TRP  24  21.794  -0.989  -5.862
  228    HE3  TRP  24           3HE      TRP  24  21.138  -0.598 -11.112
  229    HZ2  TRP  24           2HZ      TRP  24  24.286  -0.865  -7.276
  230    HZ3  TRP  24           3HZ      TRP  24  23.583  -0.551 -11.503
  231    HH2  TRP  24           HH       TRP  24  25.159  -0.683  -9.594
  232    HA   PRO  25           HA       PRO  25  17.028   0.896 -13.111
  233   1HB   PRO  25          2HB       PRO  25  14.518  -0.134 -13.460
  234   2HB   PRO  25          1HB       PRO  25  15.986  -1.130 -13.468
  235   1HG   PRO  25          2HG       PRO  25  14.047  -0.646 -11.245
  236   2HG   PRO  25          1HG       PRO  25  14.774  -2.168 -11.792
  237   1HD   PRO  25          2HD       PRO  25  15.732  -0.875  -9.629
  238   2HD   PRO  25          1HD       PRO  25  16.820  -1.727 -10.747
  239    H    TRP  26           H        TRP  26  13.790   1.007 -11.643
  240    HA   TRP  26           HA       TRP  26  13.756   3.927 -11.572
  241   1HB   TRP  26          2HB       TRP  26  12.157   2.414 -13.651
  242   2HB   TRP  26          1HB       TRP  26  11.822   4.081 -13.184
  243    HD1  TRP  26           HD       TRP  26  14.205   1.968 -15.209
  244    HE1  TRP  26           1HE      TRP  26  15.863   3.508 -16.448
  245    HE3  TRP  26           3HE      TRP  26  13.110   6.420 -12.968
  246    HZ2  TRP  26           2HZ      TRP  26  16.622   6.269 -16.483
  247    HZ3  TRP  26           3HZ      TRP  26  14.312   8.486 -13.618
  248    HH2  TRP  26           HH       TRP  26  16.066   8.417 -15.370
  249    H    ALA  27           H        ALA  27  11.668   4.725 -10.704
  250    HA   ALA  27           HA       ALA  27   9.759   2.744  -9.695
  251   1HB   ALA  27          1HB       ALA  27  10.186   3.626  -7.283
  252   2HB   ALA  27          2HB       ALA  27  11.772   4.086  -7.903
  253   3HB   ALA  27          3HB       ALA  27  11.270   2.396  -7.932
  254    H    GLU  28           H        GLU  28   8.153   3.988 -10.680
  255    HA   GLU  28           HA       GLU  28   7.311   6.381  -9.203
  256   1HB   GLU  28          2HB       GLU  28   8.898   7.292 -10.904
  257   2HB   GLU  28          1HB       GLU  28   7.910   6.571 -12.175
  258   1HG   GLU  28          2HG       GLU  28   5.968   7.904 -11.425
  259   2HG   GLU  28          1HG       GLU  28   6.961   8.637 -10.164
  260    H    LYS  29           H        LYS  29   6.815   3.911 -11.636
  261    HA   LYS  29           HA       LYS  29   4.015   4.622 -12.135
  262   1HB   LYS  29          2HB       LYS  29   3.969   2.545 -13.452
  263   2HB   LYS  29          1HB       LYS  29   5.406   3.483 -13.857
  264   1HG   LYS  29          2HG       LYS  29   6.722   2.085 -12.252
  265   2HG   LYS  29          1HG       LYS  29   5.284   1.101 -11.981
  266   1HD   LYS  29          2HD       LYS  29   5.218   0.506 -14.371
  267   2HD   LYS  29          1HD       LYS  29   6.631   1.518 -14.674
  268   1HE   LYS  29          2HE       LYS  29   7.302  -0.842 -14.463
  269   2HE   LYS  29          1HE       LYS  29   7.959   0.100 -13.126
  270   1HZ   LYS  29          1HZ       LYS  29   6.444  -2.164 -12.911
  271   2HZ   LYS  29          2HZ       LYS  29   5.349  -0.915 -12.550
  272   3HZ   LYS  29          3HZ       LYS  29   6.790  -1.070 -11.662
  273    H    LEU  30           H        LEU  30   5.789   2.733  -9.823
  274    HA   LEU  30           HA       LEU  30   3.730   0.898  -9.061
  275   1HB   LEU  30          2HB       LEU  30   5.012   0.488  -7.085
  276   2HB   LEU  30          1HB       LEU  30   6.182   0.803  -8.362
  277    HG   LEU  30           HG       LEU  30   5.758   3.329  -7.390
  278   1HD1  LEU  30          1HD1      LEU  30   4.335   2.171  -5.573
  279   2HD1  LEU  30          2HD1      LEU  30   5.580   3.292  -5.023
  280   3HD1  LEU  30          3HD1      LEU  30   5.865   1.555  -4.945
  281   1HD2  LEU  30          1HD2      LEU  30   7.915   2.979  -6.157
  282   2HD2  LEU  30          2HD2      LEU  30   7.957   2.346  -7.803
  283   3HD2  LEU  30          3HD2      LEU  30   7.755   1.245  -6.440
  284    H    ILE  31           H        ILE  31   4.246   4.294  -8.394
  285    HA   ILE  31           HA       ILE  31   2.579   4.559  -6.081
  286    HB   ILE  31           HB       ILE  31   3.200   6.529  -8.307
  287   1HG1  ILE  31          2HG1      ILE  31   4.270   6.385  -5.468
  288   2HG1  ILE  31          1HG1      ILE  31   5.094   5.649  -6.842
  289   1HG2  ILE  31          1HG2      ILE  31   2.485   8.206  -6.503
  290   2HG2  ILE  31          2HG2      ILE  31   1.745   6.838  -5.672
  291   3HG2  ILE  31          3HG2      ILE  31   1.189   7.298  -7.282
  292   1HD1  ILE  31          1HD1      ILE  31   6.072   7.828  -6.502
  293   2HD1  ILE  31          2HD1      ILE  31   4.483   8.588  -6.432
  294   3HD1  ILE  31          3HD1      ILE  31   5.076   7.926  -7.955
  295    H    ALA  32           H        ALA  32   1.851   4.777  -9.557
  296    HA   ALA  32           HA       ALA  32  -0.912   5.440  -9.295
  297   1HB   ALA  32          1HB       ALA  32  -1.078   4.404 -11.617
  298   2HB   ALA  32          2HB       ALA  32   0.632   3.997 -11.463
  299   3HB   ALA  32          3HB       ALA  32   0.122   5.685 -11.441
  300    H    GLU  33           H        GLU  33   0.728   2.277  -9.528
  301    HA   GLU  33           HA       GLU  33  -1.573   0.623  -9.607
  302   1HB   GLU  33          2HB       GLU  33   0.956   0.001  -9.796
  303   2HB   GLU  33          1HB       GLU  33   0.892  -0.132  -8.038
  304   1HG   GLU  33          2HG       GLU  33   0.456  -2.329  -8.947
  305   2HG   GLU  33          1HG       GLU  33  -1.067  -1.709  -8.310
  306    H    ARG  34           H        ARG  34   0.160   2.013  -6.835
  307    HA   ARG  34           HA       ARG  34  -1.317   0.751  -4.764
  308   1HB   ARG  34          2HB       ARG  34   0.705   2.015  -4.255
  309   2HB   ARG  34          1HB       ARG  34  -0.031   3.496  -4.867
  310   1HG   ARG  34          2HG       ARG  34  -0.135   3.468  -2.397
  311   2HG   ARG  34          1HG       ARG  34  -1.766   3.364  -3.086
  312   1HD   ARG  34          2HD       ARG  34  -2.044   1.180  -2.192
  313   2HD   ARG  34          1HD       ARG  34  -0.422   0.734  -2.663
  314    HE   ARG  34           HE       ARG  34  -0.244   2.542  -0.486
  315   1HH1  ARG  34          1HH2      ARG  34  -1.787  -0.212  -1.380
  316   2HH1  ARG  34          2HH2      ARG  34  -1.827  -1.091   0.105
  317   1HH2  ARG  34          1HH1      ARG  34  -0.097   1.430   1.761
  318   2HH2  ARG  34          2HH1      ARG  34  -0.815  -0.147   1.932
  319    H    ASN  35           H        ASN  35  -1.943   3.782  -6.538
  320    HA   ASN  35           HA       ASN  35  -4.290   4.508  -5.102
  321   1HB   ASN  35          2HB       ASN  35  -3.179   6.043  -6.571
  322   2HB   ASN  35          1HB       ASN  35  -3.545   5.028  -7.975
  323   1HD2  ASN  35          1HD2      ASN  35  -4.490   7.869  -6.873
  324   2HD2  ASN  35          2HD2      ASN  35  -6.177   7.774  -7.130
  325    H    SER  36           H        SER  36  -3.868   2.463  -7.960
  326    HA   SER  36           HA       SER  36  -6.540   1.998  -8.647
  327   1HB   SER  36          2HB       SER  36  -4.103   0.221  -8.683
  328   2HB   SER  36          1HB       SER  36  -5.666  -0.378  -9.230
  329    HG   SER  36           HG       SER  36  -4.375   1.975 -10.166
  330    H    LEU  37           H        LEU  37  -4.938  -0.713  -7.071
  331    HA   LEU  37           HA       LEU  37  -6.965  -2.020  -5.885
  332   1HB   LEU  37          2HB       LEU  37  -4.484  -1.195  -4.340
  333   2HB   LEU  37          1HB       LEU  37  -5.536  -2.545  -3.937
  334    HG   LEU  37           HG       LEU  37  -3.811  -3.619  -5.067
  335   1HD1  LEU  37          1HD1      LEU  37  -4.632  -4.351  -7.187
  336   2HD1  LEU  37          2HD1      LEU  37  -5.543  -2.859  -7.424
  337   3HD1  LEU  37          3HD1      LEU  37  -6.047  -4.013  -6.188
  338   1HD2  LEU  37          1HD2      LEU  37  -2.830  -1.308  -5.736
  339   2HD2  LEU  37          2HD2      LEU  37  -3.683  -1.560  -7.257
  340   3HD2  LEU  37          3HD2      LEU  37  -2.441  -2.703  -6.744
  341    H    ALA  38           H        ALA  38  -5.775   1.131  -4.827
  342    HA   ALA  38           HA       ALA  38  -7.075   1.373  -2.345
  343   1HB   ALA  38          1HB       ALA  38  -7.103   3.788  -4.069
  344   2HB   ALA  38          2HB       ALA  38  -5.529   3.028  -3.840
  345   3HB   ALA  38          3HB       ALA  38  -6.456   3.575  -2.443
  346    H    LYS  39           H        LYS  39  -8.331   2.311  -5.550
  347    HA   LYS  39           HA       LYS  39 -10.937   3.056  -4.516
  348   1HB   LYS  39          2HB       LYS  39 -11.536   3.354  -6.845
  349   2HB   LYS  39          1HB       LYS  39  -9.894   3.955  -6.630
  350   1HG   LYS  39          2HG       LYS  39  -9.486   2.649  -8.472
  351   2HG   LYS  39          1HG       LYS  39  -9.356   1.378  -7.257
  352   1HD   LYS  39          2HD       LYS  39 -10.905   0.375  -8.640
  353   2HD   LYS  39          1HD       LYS  39 -12.010   1.292  -7.617
  354   1HE   LYS  39          2HE       LYS  39 -12.756   1.940  -9.720
  355   2HE   LYS  39          1HE       LYS  39 -11.565   3.201  -9.404
  356   1HZ   LYS  39          1HZ       LYS  39 -11.565   1.189 -11.414
  357   2HZ   LYS  39          2HZ       LYS  39 -10.142   1.116 -10.490
  358   3HZ   LYS  39          3HZ       LYS  39 -10.579   2.561 -11.270
  359    H    ASP  40           H        ASP  40  -9.647   0.218  -6.236
  360    HA   ASP  40           HA       ASP  40 -12.085  -1.212  -6.512
  361   1HB   ASP  40          2HB       ASP  40  -9.190  -2.003  -6.364
  362   2HB   ASP  40          1HB       ASP  40 -10.430  -3.257  -6.335
  363    H    VAL  41           H        VAL  41  -9.740  -1.130  -3.840
  364    HA   VAL  41           HA       VAL  41 -11.020  -3.096  -2.196
  365    HB   VAL  41           HB       VAL  41  -9.277  -0.717  -1.505
  366   1HG1  VAL  41          1HG1      VAL  41 -10.689  -2.707   0.199
  367   2HG1  VAL  41          2HG1      VAL  41 -10.205  -1.051   0.566
  368   3HG1  VAL  41          3HG1      VAL  41  -9.014  -2.351   0.620
  369   1HG2  VAL  41          1HG2      VAL  41  -7.487  -2.245  -1.474
  370   2HG2  VAL  41          2HG2      VAL  41  -8.433  -2.780  -2.863
  371   3HG2  VAL  41          3HG2      VAL  41  -8.558  -3.638  -1.328
  372    H    ALA  42           H        ALA  42 -11.376   0.441  -2.400
  373    HA   ALA  42           HA       ALA  42 -13.157   0.883  -0.271
  374   1HB   ALA  42          1HB       ALA  42 -13.900   2.312  -2.729
  375   2HB   ALA  42          2HB       ALA  42 -12.173   2.389  -2.376
  376   3HB   ALA  42          3HB       ALA  42 -13.345   2.950  -1.182
  377    H    GLU  43           H        GLU  43 -13.831  -0.313  -3.550
  378    HA   GLU  43           HA       GLU  43 -16.664  -0.350  -3.449
  379   1HB   GLU  43          2HB       GLU  43 -14.558  -1.586  -5.036
  380   2HB   GLU  43          1HB       GLU  43 -15.913  -2.690  -4.810
  381   1HG   GLU  43          2HG       GLU  43 -16.250   0.182  -5.722
  382   2HG   GLU  43          1HG       GLU  43 -16.095  -1.173  -6.839
  383    H    ILE  44           H        ILE  44 -14.538  -3.195  -2.911
  384    HA   ILE  44           HA       ILE  44 -16.426  -4.921  -1.779
  385    HB   ILE  44           HB       ILE  44 -13.582  -4.661  -0.770
  386   1HG1  ILE  44          2HG1      ILE  44 -13.446  -4.675  -3.192
  387   2HG1  ILE  44          1HG1      ILE  44 -13.020  -6.284  -2.614
  388   1HG2  ILE  44          1HG2      ILE  44 -13.888  -7.201  -0.662
  389   2HG2  ILE  44          2HG2      ILE  44 -15.607  -6.897  -0.913
  390   3HG2  ILE  44          3HG2      ILE  44 -14.796  -6.248   0.511
  391   1HD1  ILE  44          1HD1      ILE  44 -14.505  -6.667  -4.424
  392   2HD1  ILE  44          2HD1      ILE  44 -15.606  -5.390  -3.902
  393   3HD1  ILE  44          3HD1      ILE  44 -15.490  -6.889  -2.980
  394    H    LYS  45           H        LYS  45 -14.655  -2.265  -0.228
  395    HA   LYS  45           HA       LYS  45 -15.362  -2.853   2.484
  396   1HB   LYS  45          2HB       LYS  45 -14.798  -0.204   1.111
  397   2HB   LYS  45          1HB       LYS  45 -14.942  -0.396   2.856
  398   1HG   LYS  45          2HG       LYS  45 -13.117  -2.386   1.973
  399   2HG   LYS  45          1HG       LYS  45 -12.656  -0.884   1.172
  400   1HD   LYS  45          2HD       LYS  45 -12.796   0.251   3.435
  401   2HD   LYS  45          1HD       LYS  45 -12.975  -1.353   4.144
  402   1HE   LYS  45          2HE       LYS  45 -10.676  -1.098   4.287
  403   2HE   LYS  45          1HE       LYS  45 -10.807  -1.877   2.710
  404   1HZ   LYS  45          1HZ       LYS  45 -10.021   0.823   3.380
  405   2HZ   LYS  45          2HZ       LYS  45 -11.105   0.712   2.077
  406   3HZ   LYS  45          3HZ       LYS  45  -9.624  -0.120   2.027
  407    H    ASN  46           H        ASN  46 -16.937  -0.852  -0.007
  408    HA   ASN  46           HA       ASN  46 -19.137   0.048   1.588
  409   1HB   ASN  46          2HB       ASN  46 -18.545   1.044  -0.594
  410   2HB   ASN  46          1HB       ASN  46 -18.986  -0.461  -1.402
  411   1HD2  ASN  46          1HD2      ASN  46 -20.935  -0.059  -2.453
  412   2HD2  ASN  46          2HD2      ASN  46 -22.279   0.704  -1.748
  413    H    GLN  47           H        GLN  47 -18.604  -2.870  -0.355
  414    HA   GLN  47           HA       GLN  47 -21.321  -3.875   0.039
  415   1HB   GLN  47          2HB       GLN  47 -20.712  -5.371  -1.550
  416   2HB   GLN  47          1HB       GLN  47 -19.185  -4.501  -1.668
  417   1HG   GLN  47          2HG       GLN  47 -18.284  -5.941   0.181
  418   2HG   GLN  47          1HG       GLN  47 -19.778  -6.872   0.119
  419   1HE2  GLN  47          1HE2      GLN  47 -17.881  -8.553  -0.428
  420   2HE2  GLN  47          2HE2      GLN  47 -17.588  -8.783  -2.084
  421    H    LEU  48           H        LEU  48 -18.480  -3.705   1.947
  422    HA   LEU  48           HA       LEU  48 -19.209  -6.071   3.600
  423   1HB   LEU  48          2HB       LEU  48 -16.890  -4.120   3.654
  424   2HB   LEU  48          1HB       LEU  48 -17.172  -5.266   4.962
  425    HG   LEU  48           HG       LEU  48 -16.952  -6.154   2.077
  426   1HD1  LEU  48          1HD1      LEU  48 -14.789  -5.708   4.152
  427   2HD1  LEU  48          2HD1      LEU  48 -14.863  -5.071   2.509
  428   3HD1  LEU  48          3HD1      LEU  48 -14.576  -6.789   2.774
  429   1HD2  LEU  48          1HD2      LEU  48 -16.836  -7.476   4.794
  430   2HD2  LEU  48          2HD2      LEU  48 -16.166  -8.264   3.366
  431   3HD2  LEU  48          3HD2      LEU  48 -17.884  -7.871   3.432
  432    H    GLY  49           H        GLY  49 -20.112  -2.878   3.323
  433   1HA   GLY  49          2HA       GLY  49 -21.261  -1.401   4.734
  434   2HA   GLY  49          1HA       GLY  49 -21.707  -2.835   5.657
  435    H    ILE  50           H        ILE  50 -18.638  -1.028   5.127
  436    HA   ILE  50           HA       ILE  50 -18.522  -0.522   8.039
  437    HB   ILE  50           HB       ILE  50 -16.019  -1.306   7.896
  438   1HG1  ILE  50          2HG1      ILE  50 -15.807  -3.346   6.456
  439   2HG1  ILE  50          1HG1      ILE  50 -17.352  -2.943   5.712
  440   1HG2  ILE  50          1HG2      ILE  50 -18.323  -3.271   8.037
  441   2HG2  ILE  50          2HG2      ILE  50 -17.768  -2.247   9.363
  442   3HG2  ILE  50          3HG2      ILE  50 -16.716  -3.512   8.724
  443   1HD1  ILE  50          1HD1      ILE  50 -15.046  -2.154   4.638
  444   2HD1  ILE  50          2HD1      ILE  50 -15.238  -0.826   5.783
  445   3HD1  ILE  50          3HD1      ILE  50 -16.479  -1.130   4.567
  446    HA   PRO  51           HA       PRO  51 -16.717   3.336   7.001
  447   1HB   PRO  51          2HB       PRO  51 -14.539   2.655   8.941
  448   2HB   PRO  51          1HB       PRO  51 -15.557   4.107   8.855
  449   1HG   PRO  51          2HG       PRO  51 -16.049   2.303  10.691
  450   2HG   PRO  51          1HG       PRO  51 -17.391   3.021   9.783
  451   1HD   PRO  51          2HD       PRO  51 -16.137   0.307   9.433
  452   2HD   PRO  51          1HD       PRO  51 -17.854   0.765   9.391
  453    H    ILE  52           H        ILE  52 -15.292   4.131   5.501
  454    HA   ILE  52           HA       ILE  52 -13.594   2.356   4.010
  455    HB   ILE  52           HB       ILE  52 -13.551   5.388   4.073
  456   1HG1  ILE  52          2HG1      ILE  52 -15.144   3.552   2.257
  457   2HG1  ILE  52          1HG1      ILE  52 -15.824   4.367   3.664
  458   1HG2  ILE  52          1HG2      ILE  52 -11.645   4.615   2.889
  459   2HG2  ILE  52          2HG2      ILE  52 -12.843   4.964   1.642
  460   3HG2  ILE  52          3HG2      ILE  52 -12.546   3.298   2.137
  461   1HD1  ILE  52          1HD1      ILE  52 -14.413   5.878   1.452
  462   2HD1  ILE  52          2HD1      ILE  52 -15.461   6.523   2.714
  463   3HD1  ILE  52          3HD1      ILE  52 -16.147   5.550   1.415
  464    H    ASN  53           H        ASN  53 -12.913   4.906   6.398
  465    HA   ASN  53           HA       ASN  53 -10.063   4.609   6.296
  466   1HB   ASN  53          2HB       ASN  53 -11.238   6.545   7.304
  467   2HB   ASN  53          1HB       ASN  53 -11.685   5.518   8.666
  468   1HD2  ASN  53          1HD2      ASN  53 -10.214   5.719  10.367
  469   2HD2  ASN  53          2HD2      ASN  53  -8.554   6.048  10.162
  470    H    ASP  54           H        ASP  54  -8.793   3.061   7.166
  471    HA   ASP  54           HA       ASP  54  -9.813   1.429   9.427
  472   1HB   ASP  54          2HB       ASP  54 -10.285   0.353   7.134
  473   2HB   ASP  54          1HB       ASP  54  -8.541   0.107   7.027
  474    HA   PRO  55           HA       PRO  55  -5.417   2.893  10.030
  475   1HB   PRO  55          2HB       PRO  55  -6.410   2.544  12.827
  476   2HB   PRO  55          1HB       PRO  55  -5.495   3.889  12.115
  477   1HG   PRO  55          2HG       PRO  55  -8.073   4.141  12.644
  478   2HG   PRO  55          1HG       PRO  55  -7.370   4.847  11.177
  479   1HD   PRO  55          2HD       PRO  55  -9.022   2.353  11.462
  480   2HD   PRO  55          1HD       PRO  55  -9.039   3.571  10.166
  481    H    GLU  56           H        GLU  56  -6.920   0.704  12.421
  482    HA   GLU  56           HA       GLU  56  -5.037  -0.997  13.212
  483   1HB   GLU  56          2HB       GLU  56  -6.728  -2.938  12.331
  484   2HB   GLU  56          1HB       GLU  56  -7.064  -1.945  13.747
  485   1HG   GLU  56          2HG       GLU  56  -8.407  -0.410  12.413
  486   2HG   GLU  56          1HG       GLU  56  -7.967  -1.262  10.933
  487    H    ARG  57           H        ARG  57  -6.530  -1.569  10.018
  488    HA   ARG  57           HA       ARG  57  -4.668  -3.436   9.038
  489   1HB   ARG  57          2HB       ARG  57  -6.649  -3.097   7.764
  490   2HB   ARG  57          1HB       ARG  57  -6.403  -1.353   7.685
  491   1HG   ARG  57          2HG       ARG  57  -5.866  -2.432   5.524
  492   2HG   ARG  57          1HG       ARG  57  -4.443  -1.668   6.226
  493   1HD   ARG  57          2HD       ARG  57  -3.616  -3.857   7.054
  494   2HD   ARG  57          1HD       ARG  57  -5.077  -4.644   6.481
  495    HE   ARG  57           HE       ARG  57  -4.043  -3.513   4.184
  496   1HH1  ARG  57          1HH2      ARG  57  -2.375  -4.986   6.766
  497   2HH1  ARG  57          2HH2      ARG  57  -1.551  -6.145   5.750
  498   1HH2  ARG  57          1HH1      ARG  57  -2.800  -4.802   2.784
  499   2HH2  ARG  57          2HH1      ARG  57  -1.799  -6.040   3.470
  500    H    GLU  58           H        GLU  58  -4.633   0.124   8.774
  501    HA   GLU  58           HA       GLU  58  -2.141   0.313   7.360
  502   1HB   GLU  58          2HB       GLU  58  -3.490   2.304   9.220
  503   2HB   GLU  58          1HB       GLU  58  -2.183   2.686   8.102
  504   1HG   GLU  58          2HG       GLU  58  -3.596   2.064   6.197
  505   2HG   GLU  58          1HG       GLU  58  -4.897   1.591   7.292
  506    H    LYS  59           H        LYS  59  -2.976   0.240  10.808
  507    HA   LYS  59           HA       LYS  59  -0.357   0.787  11.835
  508   1HB   LYS  59          2HB       LYS  59  -2.621  -0.869  13.003
  509   2HB   LYS  59          1HB       LYS  59  -1.187  -0.373  13.898
  510   1HG   LYS  59          2HG       LYS  59  -2.915   1.669  12.503
  511   2HG   LYS  59          1HG       LYS  59  -3.326   1.079  14.113
  512   1HD   LYS  59          2HD       LYS  59  -1.085   1.745  14.930
  513   2HD   LYS  59          1HD       LYS  59  -0.691   2.361  13.327
  514   1HE   LYS  59          2HE       LYS  59  -1.402   4.262  14.590
  515   2HE   LYS  59          1HE       LYS  59  -2.757   3.854  13.539
  516   1HZ   LYS  59          1HZ       LYS  59  -4.027   3.275  15.272
  517   2HZ   LYS  59          2HZ       LYS  59  -2.924   4.170  16.205
  518   3HZ   LYS  59          3HZ       LYS  59  -2.762   2.483  16.079
  519    H    TYR  60           H        TYR  60  -1.996  -2.233  10.924
  520    HA   TYR  60           HA       TYR  60  -0.009  -4.093  11.715
  521   1HB   TYR  60          2HB       TYR  60  -2.213  -4.804  10.955
  522   2HB   TYR  60          1HB       TYR  60  -1.919  -4.136   9.355
  523    HD1  TYR  60           1HD      TYR  60  -1.524  -7.001  11.515
  524    HD2  TYR  60           2HD      TYR  60  -0.031  -5.137   7.942
  525    HE1  TYR  60           1HE      TYR  60  -0.480  -9.145  10.832
  526    HE2  TYR  60           2HE      TYR  60   1.008  -7.285   7.258
  527    HH   TYR  60           HH       TYR  60   0.553 -10.243   9.176
  528    H    ILE  61           H        ILE  61  -0.282  -2.132   8.767
  529    HA   ILE  61           HA       ILE  61   1.902  -3.293   7.335
  530    HB   ILE  61           HB       ILE  61   0.599  -0.575   7.313
  531   1HG1  ILE  61          2HG1      ILE  61  -0.366  -2.768   6.257
  532   2HG1  ILE  61          1HG1      ILE  61  -0.397  -1.281   5.313
  533   1HG2  ILE  61          1HG2      ILE  61   2.030  -0.223   5.197
  534   2HG2  ILE  61          2HG2      ILE  61   3.079  -1.479   5.856
  535   3HG2  ILE  61          3HG2      ILE  61   2.815   0.015   6.757
  536   1HD1  ILE  61          1HD1      ILE  61   0.512  -3.504   4.228
  537   2HD1  ILE  61          2HD1      ILE  61   1.984  -3.094   5.107
  538   3HD1  ILE  61          3HD1      ILE  61   1.332  -1.974   3.912
  539    H    TYR  62           H        TYR  62   1.753  -0.587   9.650
  540    HA   TYR  62           HA       TYR  62   4.373   0.379   9.527
  541   1HB   TYR  62          2HB       TYR  62   2.395   0.075  11.765
  542   2HB   TYR  62          1HB       TYR  62   4.036   0.584  12.150
  543    HD1  TYR  62           1HD      TYR  62   1.743   1.333   9.277
  544    HD2  TYR  62           2HD      TYR  62   4.064   2.904  12.535
  545    HE1  TYR  62           1HE      TYR  62   1.205   3.640   8.547
  546    HE2  TYR  62           2HE      TYR  62   3.519   5.213  11.805
  547    HH   TYR  62           HH       TYR  62   1.527   5.803   8.901
  548    H    ASP  63           H        ASP  63   3.169  -2.393  11.420
  549    HA   ASP  63           HA       ASP  63   5.755  -3.169  12.437
  550   1HB   ASP  63          2HB       ASP  63   3.423  -3.846  13.295
  551   2HB   ASP  63          1HB       ASP  63   3.419  -5.039  11.997
  552    H    ARG  64           H        ARG  64   3.972  -3.900   9.477
  553    HA   ARG  64           HA       ARG  64   5.600  -6.136   8.629
  554   1HB   ARG  64          2HB       ARG  64   3.324  -5.599   7.700
  555   2HB   ARG  64          1HB       ARG  64   4.022  -4.186   6.917
  556   1HG   ARG  64          2HG       ARG  64   5.709  -5.841   5.848
  557   2HG   ARG  64          1HG       ARG  64   4.567  -7.097   6.313
  558   1HD   ARG  64          2HD       ARG  64   3.882  -4.693   4.622
  559   2HD   ARG  64          1HD       ARG  64   4.236  -6.280   3.983
  560    HE   ARG  64           HE       ARG  64   1.661  -5.414   5.042
  561   1HH1  ARG  64          1HH2      ARG  64   4.066  -7.834   4.877
  562   2HH1  ARG  64          2HH2      ARG  64   2.977  -9.176   4.876
  563   1HH2  ARG  64          1HH1      ARG  64   0.119  -7.227   5.060
  564   2HH2  ARG  64          2HH1      ARG  64   0.740  -8.839   4.871
  565    H    ILE  65           H        ILE  65   5.677  -2.643   7.880
  566    HA   ILE  65           HA       ILE  65   7.854  -2.733   6.040
  567    HB   ILE  65           HB       ILE  65   7.165  -0.493   7.964
  568   1HG1  ILE  65          2HG1      ILE  65   5.166  -1.086   6.712
  569   2HG1  ILE  65          1HG1      ILE  65   5.826   0.404   6.042
  570   1HG2  ILE  65          1HG2      ILE  65   9.265  -0.015   6.978
  571   2HG2  ILE  65          2HG2      ILE  65   8.102   0.869   5.990
  572   3HG2  ILE  65          3HG2      ILE  65   8.765  -0.660   5.415
  573   1HD1  ILE  65          1HD1      ILE  65   5.882  -2.370   4.869
  574   2HD1  ILE  65          2HD1      ILE  65   7.082  -1.170   4.391
  575   3HD1  ILE  65          3HD1      ILE  65   5.370  -0.856   4.119
  576    H    ARG  66           H        ARG  66   7.803  -2.333   9.592
  577    HA   ARG  66           HA       ARG  66  10.557  -1.832  10.008
  578   1HB   ARG  66          2HB       ARG  66   8.526  -3.306  11.715
  579   2HB   ARG  66          1HB       ARG  66  10.184  -3.037  12.249
  580   1HG   ARG  66          2HG       ARG  66   9.879  -0.584  11.963
  581   2HG   ARG  66          1HG       ARG  66   8.210  -0.850  11.465
  582   1HD   ARG  66          2HD       ARG  66   9.267  -1.839  14.106
  583   2HD   ARG  66          1HD       ARG  66   8.672  -0.218  13.960
  584    HE   ARG  66           HE       ARG  66   7.059  -2.622  14.214
  585   1HH1  ARG  66          1HH2      ARG  66   7.347   0.219  12.345
  586   2HH1  ARG  66          2HH2      ARG  66   5.719   0.802  12.670
  587   1HH2  ARG  66          1HH1      ARG  66   4.789  -2.113  14.367
  588   2HH2  ARG  66          2HH1      ARG  66   4.258  -0.550  13.840
  589    H    LYS  67           H        LYS  67   8.848  -4.950   9.712
  590    HA   LYS  67           HA       LYS  67  11.115  -6.615  10.219
  591   1HB   LYS  67          2HB       LYS  67   8.746  -7.407  10.199
  592   2HB   LYS  67          1HB       LYS  67   8.720  -7.215   8.447
  593   1HG   LYS  67          2HG       LYS  67  10.547  -8.865   8.234
  594   2HG   LYS  67          1HG       LYS  67  10.597  -9.042   9.987
  595   1HD   LYS  67          2HD       LYS  67   8.249  -9.840   9.972
  596   2HD   LYS  67          1HD       LYS  67   8.212  -9.682   8.217
  597   1HE   LYS  67          2HE       LYS  67   9.997 -11.355   8.002
  598   2HE   LYS  67          1HE       LYS  67  10.113 -11.481   9.757
  599   1HZ   LYS  67          1HZ       LYS  67   8.618 -13.098   8.295
  600   2HZ   LYS  67          2HZ       LYS  67   7.471 -11.879   8.591
  601   3HZ   LYS  67          3HZ       LYS  67   8.221 -12.681   9.889
  602    H    LEU  68           H        LEU  68   9.721  -5.509   7.110
  603    HA   LEU  68           HA       LEU  68  11.772  -6.681   5.473
  604   1HB   LEU  68          2HB       LEU  68   9.950  -4.304   4.984
  605   2HB   LEU  68          1HB       LEU  68  10.981  -5.022   3.752
  606    HG   LEU  68           HG       LEU  68   8.825  -6.532   5.266
  607   1HD1  LEU  68          1HD1      LEU  68   7.478  -6.306   3.268
  608   2HD1  LEU  68          2HD1      LEU  68   8.792  -5.499   2.412
  609   3HD1  LEU  68          3HD1      LEU  68   7.988  -4.691   3.758
  610   1HD2  LEU  68          1HD2      LEU  68  10.768  -7.209   3.067
  611   2HD2  LEU  68          2HD2      LEU  68   9.201  -8.018   3.127
  612   3HD2  LEU  68          3HD2      LEU  68  10.320  -8.163   4.482
  613    H    CYS  69           H        CYS  69  11.470  -3.600   7.168
  614    HA   CYS  69           HA       CYS  69  13.580  -2.156   5.933
  615   1HB   CYS  69          2HB       CYS  69  12.299  -2.088   8.651
  616   2HB   CYS  69          1HB       CYS  69  13.751  -1.131   8.358
  617    HG   CYS  69           HG       CYS  69  12.276   0.513   7.256
  618    H    LYS  70           H        LYS  70  13.645  -4.860   8.116
  619    HA   LYS  70           HA       LYS  70  16.539  -4.456   8.690
  620   1HB   LYS  70          2HB       LYS  70  14.682  -6.651   9.664
  621   2HB   LYS  70          1HB       LYS  70  16.289  -6.283  10.287
  622   1HG   LYS  70          2HG       LYS  70  13.829  -4.516  10.457
  623   2HG   LYS  70          1HG       LYS  70  14.632  -5.343  11.791
  624   1HD   LYS  70          2HD       LYS  70  16.743  -4.005  11.048
  625   2HD   LYS  70          1HD       LYS  70  15.594  -2.978  10.193
  626   1HE   LYS  70          2HE       LYS  70  14.379  -2.553  12.286
  627   2HE   LYS  70          1HE       LYS  70  15.484  -3.617  13.157
  628   1HZ   LYS  70          1HZ       LYS  70  16.932  -1.967  13.356
  629   2HZ   LYS  70          2HZ       LYS  70  15.794  -0.912  12.666
  630   3HZ   LYS  70          3HZ       LYS  70  16.939  -1.689  11.682
  631    H    GLU  71           H        GLU  71  14.311  -6.531   6.905
  632    HA   GLU  71           HA       GLU  71  16.099  -8.670   6.302
  633   1HB   GLU  71          2HB       GLU  71  13.752  -7.552   4.741
  634   2HB   GLU  71          1HB       GLU  71  14.584  -9.047   4.317
  635   1HG   GLU  71          2HG       GLU  71  13.305  -8.532   7.020
  636   2HG   GLU  71          1HG       GLU  71  12.523  -9.416   5.710
  637    H    HIS  72           H        HIS  72  15.156  -5.958   4.163
  638    HA   HIS  72           HA       HIS  72  17.415  -6.507   2.397
  639   1HB   HIS  72          2HB       HIS  72  16.601  -4.512   1.139
  640   2HB   HIS  72          1HB       HIS  72  15.317  -5.682   1.444
  641    HD1  HIS  72           1HD      HIS  72  16.735  -2.585   3.188
  642    HD2  HIS  72           2HD      HIS  72  13.087  -4.500   2.536
  643    HE1  HIS  72           1HE      HIS  72  14.961  -1.145   4.285
  644    HE2  HIS  72           2HE      HIS  72  12.739  -2.301   3.895
  645    H    ASN  73           H        ASN  73  17.283  -5.141   5.339
  646    HA   ASN  73           HA       ASN  73  18.436  -3.281   6.327
  647   1HB   ASN  73          2HB       ASN  73  20.845  -3.782   6.244
  648   2HB   ASN  73          1HB       ASN  73  19.891  -5.228   6.613
  649   1HD2  ASN  73          1HD2      ASN  73  22.405  -4.088   4.764
  650   2HD2  ASN  73          2HD2      ASN  73  22.332  -5.216   3.479
  651    H    VAL  74           H        VAL  74  17.439  -2.260   3.926
  652    HA   VAL  74           HA       VAL  74  19.796  -0.858   2.725
  653    HB   VAL  74           HB       VAL  74  17.109  -1.676   1.676
  654   1HG1  VAL  74          1HG1      VAL  74  16.962   0.647   1.201
  655   2HG1  VAL  74          2HG1      VAL  74  17.611  -0.070  -0.274
  656   3HG1  VAL  74          3HG1      VAL  74  18.687   0.763   0.848
  657   1HG2  VAL  74          1HG2      VAL  74  18.359  -2.680   0.002
  658   2HG2  VAL  74          2HG2      VAL  74  19.533  -2.721   1.318
  659   3HG2  VAL  74          3HG2      VAL  74  19.634  -1.464   0.085
  660    H    ASP  75           H        ASP  75  16.943  -0.473   4.647
  661    HA   ASP  75           HA       ASP  75  17.597   2.251   5.280
  662   1HB   ASP  75          2HB       ASP  75  15.643   3.375   4.298
  663   2HB   ASP  75          1HB       ASP  75  16.667   2.689   3.038
  664    H    GLU  76           H        GLU  76  15.710   3.264   6.592
  665    HA   GLU  76           HA       GLU  76  14.012   1.177   7.872
  666   1HB   GLU  76          2HB       GLU  76  16.103   1.416   9.218
  667   2HB   GLU  76          1HB       GLU  76  15.751   3.132   9.408
  668   1HG   GLU  76          2HG       GLU  76  13.647   2.604  10.555
  669   2HG   GLU  76          1HG       GLU  76  13.935   0.879  10.329
  670    H    ASN  77           H        ASN  77  14.522   4.281   9.349
  671    HA   ASN  77           HA       ASN  77  11.785   4.957   9.392
  672   1HB   ASN  77          2HB       ASN  77  12.563   7.280   9.918
  673   2HB   ASN  77          1HB       ASN  77  13.348   6.040  10.896
  674   1HD2  ASN  77          1HD2      ASN  77  13.868   8.503   8.456
  675   2HD2  ASN  77          2HD2      ASN  77  15.554   8.314   8.349
  676    H    ILE  78           H        ILE  78  14.250   5.808   6.981
  677    HA   ILE  78           HA       ILE  78  12.919   7.788   5.537
  678    HB   ILE  78           HB       ILE  78  14.406   5.473   4.263
  679   1HG1  ILE  78          2HG1      ILE  78  16.156   7.631   4.579
  680   2HG1  ILE  78          1HG1      ILE  78  15.304   7.543   6.122
  681   1HG2  ILE  78          1HG2      ILE  78  13.331   6.900   2.639
  682   2HG2  ILE  78          2HG2      ILE  78  15.047   7.309   2.646
  683   3HG2  ILE  78          3HG2      ILE  78  13.888   8.354   3.469
  684   1HD1  ILE  78          1HD1      ILE  78  17.210   6.096   6.320
  685   2HD1  ILE  78          2HD1      ILE  78  16.884   5.353   4.753
  686   3HD1  ILE  78          3HD1      ILE  78  15.809   5.043   6.115
  687    H    GLY  79           H        GLY  79  12.509   4.263   5.208
  688   1HA   GLY  79          2HA       GLY  79  10.511   4.440   3.147
  689   2HA   GLY  79          1HA       GLY  79  10.830   3.021   4.145
  690    H    ILE  80           H        ILE  80  10.299   4.078   6.691
  691    HA   ILE  80           HA       ILE  80   7.448   3.818   6.789
  692    HB   ILE  80           HB       ILE  80   9.430   4.832   8.853
  693   1HG1  ILE  80          2HG1      ILE  80   7.956   2.185   8.685
  694   2HG1  ILE  80          1HG1      ILE  80   9.583   2.425   8.049
  695   1HG2  ILE  80          1HG2      ILE  80   7.510   4.255  10.446
  696   2HG2  ILE  80          2HG2      ILE  80   6.467   4.254   9.021
  697   3HG2  ILE  80          3HG2      ILE  80   7.315   5.726   9.492
  698   1HD1  ILE  80          1HD1      ILE  80   9.748   1.504  10.296
  699   2HD1  ILE  80          2HD1      ILE  80   8.701   2.773  10.932
  700   3HD1  ILE  80          3HD1      ILE  80  10.309   3.175  10.329
  701    H    LYS  81           H        LYS  81   9.585   6.659   6.973
  702    HA   LYS  81           HA       LYS  81   7.594   8.585   7.629
  703   1HB   LYS  81          2HB       LYS  81  10.146   8.889   6.006
  704   2HB   LYS  81          1HB       LYS  81   9.186  10.239   6.608
  705   1HG   LYS  81          2HG       LYS  81  10.179   8.107   8.499
  706   2HG   LYS  81          1HG       LYS  81  11.225   9.447   8.028
  707   1HD   LYS  81          2HD       LYS  81   9.479  11.051   8.794
  708   2HD   LYS  81          1HD       LYS  81   8.484   9.692   9.311
  709   1HE   LYS  81          2HE       LYS  81  10.253   8.987  10.884
  710   2HE   LYS  81          1HE       LYS  81  11.252  10.348  10.376
  711   1HZ   LYS  81          1HZ       LYS  81   9.721  10.525  12.462
  712   2HZ   LYS  81          2HZ       LYS  81   8.518  10.864  11.311
  713   3HZ   LYS  81          3HZ       LYS  81   9.900  11.848  11.416
  714    H    ILE  82           H        ILE  82   8.660   7.297   4.501
  715    HA   ILE  82           HA       ILE  82   6.895   9.119   3.024
  716    HB   ILE  82           HB       ILE  82   9.063   8.469   2.055
  717   1HG1  ILE  82          2HG1      ILE  82   6.828   7.153   0.477
  718   2HG1  ILE  82          1HG1      ILE  82   7.015   8.902   0.606
  719   1HG2  ILE  82          1HG2      ILE  82   7.907   5.665   1.959
  720   2HG2  ILE  82          2HG2      ILE  82   9.110   6.202   3.130
  721   3HG2  ILE  82          3HG2      ILE  82   9.508   6.164   1.413
  722   1HD1  ILE  82          1HD1      ILE  82   9.105   6.988  -0.474
  723   2HD1  ILE  82          2HD1      ILE  82   9.280   8.738  -0.356
  724   3HD1  ILE  82          3HD1      ILE  82   8.085   8.044  -1.451
  725    H    PHE  83           H        PHE  83   6.933   5.731   3.996
  726    HA   PHE  83           HA       PHE  83   4.904   4.665   2.386
  727   1HB   PHE  83          2HB       PHE  83   6.124   4.032   4.962
  728   2HB   PHE  83          1HB       PHE  83   4.421   3.574   4.918
  729    HD1  PHE  83           1HD      PHE  83   7.628   2.386   4.277
  730    HD2  PHE  83           2HD      PHE  83   3.724   2.524   2.486
  731    HE1  PHE  83           1HE      PHE  83   8.193   0.410   2.886
  732    HE2  PHE  83           2HE      PHE  83   4.290   0.547   1.099
  733    HZ   PHE  83           HZ       PHE  83   6.523  -0.511   1.301
  734    H    GLN  84           H        GLN  84   4.549   6.426   5.468
  735    HA   GLN  84           HA       GLN  84   1.732   6.298   5.708
  736   1HB   GLN  84          2HB       GLN  84   3.265   7.169   7.465
  737   2HB   GLN  84          1HB       GLN  84   3.570   8.591   6.470
  738   1HG   GLN  84          2HG       GLN  84   1.249   9.270   6.626
  739   2HG   GLN  84          1HG       GLN  84   0.825   7.763   7.442
  740   1HE2  GLN  84          1HE2      GLN  84   0.366  10.361   8.632
  741   2HE2  GLN  84          2HE2      GLN  84   1.393  10.508   9.985
  742    H    ARG  85           H        ARG  85   3.773   8.702   4.036
  743    HA   ARG  85           HA       ARG  85   1.803  10.488   3.129
  744   1HB   ARG  85          2HB       ARG  85   4.183   9.504   1.508
  745   2HB   ARG  85          1HB       ARG  85   3.330  11.032   1.291
  746   1HG   ARG  85          2HG       ARG  85   4.724  10.274   3.898
  747   2HG   ARG  85          1HG       ARG  85   5.525  11.180   2.608
  748   1HD   ARG  85          2HD       ARG  85   3.555  12.817   2.726
  749   2HD   ARG  85          1HD       ARG  85   3.063  12.015   4.196
  750    HE   ARG  85           HE       ARG  85   5.900  12.875   4.336
  751   1HH1  ARG  85          1HH2      ARG  85   2.681  14.074   4.263
  752   2HH1  ARG  85          2HH2      ARG  85   3.081  15.613   4.954
  753   1HH2  ARG  85          1HH1      ARG  85   6.469  14.909   5.202
  754   2HH2  ARG  85          2HH1      ARG  85   5.236  16.106   5.426
  755    H    LEU  86           H        LEU  86   2.831   7.394   1.681
  756    HA   LEU  86           HA       LEU  86   1.066   7.511  -0.594
  757   1HB   LEU  86          2HB       LEU  86   2.570   5.315   0.818
  758   2HB   LEU  86          1HB       LEU  86   1.390   4.915  -0.427
  759    HG   LEU  86           HG       LEU  86   3.764   5.175  -1.271
  760   1HD1  LEU  86          1HD1      LEU  86   2.119   7.326  -2.543
  761   2HD1  LEU  86          2HD1      LEU  86   1.480   5.683  -2.536
  762   3HD1  LEU  86          3HD1      LEU  86   3.033   6.021  -3.298
  763   1HD2  LEU  86          1HD2      LEU  86   4.789   7.314  -1.318
  764   2HD2  LEU  86          2HD2      LEU  86   4.119   7.201   0.310
  765   3HD2  LEU  86          3HD2      LEU  86   3.280   8.139  -0.926
  766    H    ILE  87           H        ILE  87   0.706   6.191   2.685
  767    HA   ILE  87           HA       ILE  87  -1.794   4.862   2.251
  768    HB   ILE  87           HB       ILE  87  -0.626   6.089   4.767
  769   1HG1  ILE  87          2HG1      ILE  87   0.754   4.304   3.785
  770   2HG1  ILE  87          1HG1      ILE  87  -0.004   3.740   5.274
  771   1HG2  ILE  87          1HG2      ILE  87  -2.976   5.843   5.144
  772   2HG2  ILE  87          2HG2      ILE  87  -2.217   4.429   5.877
  773   3HG2  ILE  87          3HG2      ILE  87  -3.017   4.288   4.312
  774   1HD1  ILE  87          1HD1      ILE  87  -0.484   1.951   3.890
  775   2HD1  ILE  87          2HD1      ILE  87  -0.568   2.956   2.442
  776   3HD1  ILE  87          3HD1      ILE  87  -1.906   2.950   3.590
  777    H    GLU  88           H        GLU  88  -1.020   8.175   3.311
  778    HA   GLU  88           HA       GLU  88  -3.657   9.070   3.854
  779   1HB   GLU  88          2HB       GLU  88  -1.596  10.373   4.367
  780   2HB   GLU  88          1HB       GLU  88  -1.351  10.634   2.641
  781   1HG   GLU  88          2HG       GLU  88  -3.489  11.830   2.494
  782   2HG   GLU  88          1HG       GLU  88  -3.783  11.543   4.210
  783    H    HIS  89           H        HIS  89  -1.784   9.290   0.812
  784    HA   HIS  89           HA       HIS  89  -3.939  10.347  -0.756
  785   1HB   HIS  89          2HB       HIS  89  -2.316  10.476  -2.318
  786   2HB   HIS  89          1HB       HIS  89  -1.226   9.745  -1.146
  787    HD1  HIS  89           1HD      HIS  89  -0.683   7.220  -1.420
  788    HD2  HIS  89           2HD      HIS  89  -3.277   8.702  -4.332
  789    HE1  HIS  89           1HE      HIS  89  -0.769   5.479  -3.262
  790    HE2  HIS  89           2HE      HIS  89  -2.344   6.371  -5.038
  791    H    ASN  90           H        ASN  90  -3.158   7.147   0.329
  792    HA   ASN  90           HA       ASN  90  -4.711   5.674  -1.615
  793   1HB   ASN  90          2HB       ASN  90  -2.920   4.851   0.115
  794   2HB   ASN  90          1HB       ASN  90  -4.287   4.780   1.224
  795   1HD2  ASN  90          1HD2      ASN  90  -3.119   3.493  -1.910
  796   2HD2  ASN  90          2HD2      ASN  90  -4.082   2.095  -1.868
  797    H    LYS  91           H        LYS  91  -5.392   6.965   1.634
  798    HA   LYS  91           HA       LYS  91  -8.147   6.047   1.657
  799   1HB   LYS  91          2HB       LYS  91  -6.816   6.565   3.739
  800   2HB   LYS  91          1HB       LYS  91  -6.885   8.270   3.299
  801   1HG   LYS  91          2HG       LYS  91  -9.320   8.260   3.454
  802   2HG   LYS  91          1HG       LYS  91  -9.324   6.522   3.751
  803   1HD   LYS  91          2HD       LYS  91  -9.517   7.456   5.915
  804   2HD   LYS  91          1HD       LYS  91  -7.804   7.063   5.781
  805   1HE   LYS  91          2HE       LYS  91  -7.234   9.350   5.309
  806   2HE   LYS  91          1HE       LYS  91  -8.927   9.796   5.111
  807   1HZ   LYS  91          1HZ       LYS  91  -7.381   9.662   7.484
  808   2HZ   LYS  91          2HZ       LYS  91  -8.736   8.644   7.610
  809   3HZ   LYS  91          3HZ       LYS  91  -8.938  10.294   7.258
  810    H    ALA  92           H        ALA  92  -6.583   9.213   1.154
  811    HA   ALA  92           HA       ALA  92  -8.741  10.873   0.761
  812   1HB   ALA  92          1HB       ALA  92  -6.432  11.646   0.535
  813   2HB   ALA  92          2HB       ALA  92  -7.363  12.115  -0.888
  814   3HB   ALA  92          3HB       ALA  92  -6.260  10.740  -0.967
  815    H    LEU  93           H        LEU  93  -7.235   9.106  -1.974
  816    HA   LEU  93           HA       LEU  93  -9.410   9.770  -3.728
  817   1HB   LEU  93          2HB       LEU  93  -8.115   8.907  -5.379
  818   2HB   LEU  93          1HB       LEU  93  -6.870   8.965  -4.142
  819    HG   LEU  93           HG       LEU  93  -6.766   6.801  -5.160
  820   1HD1  LEU  93          1HD1      LEU  93  -7.377   7.146  -2.409
  821   2HD1  LEU  93          2HD1      LEU  93  -6.440   5.852  -3.157
  822   3HD1  LEU  93          3HD1      LEU  93  -8.181   5.672  -2.945
  823   1HD2  LEU  93          1HD2      LEU  93  -8.551   5.713  -5.984
  824   2HD2  LEU  93          2HD2      LEU  93  -9.505   7.139  -5.571
  825   3HD2  LEU  93          3HD2      LEU  93  -9.395   5.790  -4.440
  826    H    GLN  94           H        GLN  94  -8.932   7.213  -1.486
  827    HA   GLN  94           HA       GLN  94 -10.766   5.282  -2.535
  828   1HB   GLN  94          2HB       GLN  94  -9.403   5.823   0.005
  829   2HB   GLN  94          1HB       GLN  94 -11.010   5.123   0.212
  830   1HG   GLN  94          2HG       GLN  94 -10.446   3.254  -1.228
  831   2HG   GLN  94          1HG       GLN  94  -8.913   4.016  -1.651
  832   1HE2  GLN  94          1HE2      GLN  94  -7.121   3.277  -0.484
  833   2HE2  GLN  94          2HE2      GLN  94  -7.239   2.499   1.040
  834    H    LYS  95           H        LYS  95 -11.220   7.835  -0.079
  835    HA   LYS  95           HA       LYS  95 -14.058   7.503   0.149
  836   1HB   LYS  95          2HB       LYS  95 -12.274   9.886   0.744
  837   2HB   LYS  95          1HB       LYS  95 -13.986   9.821   1.153
  838   1HG   LYS  95          2HG       LYS  95 -13.561   7.797   2.536
  839   2HG   LYS  95          1HG       LYS  95 -11.841   7.923   2.164
  840   1HD   LYS  95          2HD       LYS  95 -11.754  10.146   3.211
  841   2HD   LYS  95          1HD       LYS  95 -13.483  10.070   3.550
  842   1HE   LYS  95          2HE       LYS  95 -13.107   8.087   4.983
  843   2HE   LYS  95          1HE       LYS  95 -11.379   8.172   4.646
  844   1HZ   LYS  95          1HZ       LYS  95 -11.236   9.537   6.369
  845   2HZ   LYS  95          2HZ       LYS  95 -12.924   9.661   6.515
  846   3HZ   LYS  95          3HZ       LYS  95 -12.082  10.696   5.465
  847    H    GLN  96           H        GLN  96 -12.077   9.725  -1.808
  848    HA   GLN  96           HA       GLN  96 -14.273  11.162  -2.961
  849   1HB   GLN  96          2HB       GLN  96 -11.485  10.635  -4.045
  850   2HB   GLN  96          1HB       GLN  96 -12.610  11.823  -4.706
  851   1HG   GLN  96          2HG       GLN  96 -11.612  11.814  -1.838
  852   2HG   GLN  96          1HG       GLN  96 -10.943  12.822  -3.121
  853   1HE2  GLN  96          1HE2      GLN  96 -13.052  13.887  -4.436
  854   2HE2  GLN  96          2HE2      GLN  96 -14.101  14.713  -3.389
  855    H    TYR  97           H        TYR  97 -12.560   8.219  -3.954
  856    HA   TYR  97           HA       TYR  97 -13.798   7.880  -6.503
  857   1HB   TYR  97          2HB       TYR  97 -11.885   6.545  -5.951
  858   2HB   TYR  97          1HB       TYR  97 -12.669   5.912  -4.506
  859    HD1  TYR  97           1HD      TYR  97 -12.836   5.929  -8.233
  860    HD2  TYR  97           2HD      TYR  97 -14.061   3.999  -4.595
  861    HE1  TYR  97           1HE      TYR  97 -13.751   4.032  -9.544
  862    HE2  TYR  97           2HE      TYR  97 -14.978   2.105  -5.907
  863    HH   TYR  97           HH       TYR  97 -15.854   1.769  -8.286
  864    H    LEU  98           H        LEU  98 -14.656   6.401  -3.350
  865    HA   LEU  98           HA       LEU  98 -17.037   5.118  -4.256
  866   1HB   LEU  98          2HB       LEU  98 -16.263   6.140  -1.507
  867   2HB   LEU  98          1HB       LEU  98 -17.693   5.162  -1.815
  868    HG   LEU  98           HG       LEU  98 -14.840   4.308  -2.421
  869   1HD1  LEU  98          1HD1      LEU  98 -14.988   4.237  -0.086
  870   2HD1  LEU  98          2HD1      LEU  98 -15.532   2.620  -0.533
  871   3HD1  LEU  98          3HD1      LEU  98 -16.711   3.860  -0.105
  872   1HD2  LEU  98          1HD2      LEU  98 -16.130   3.035  -3.895
  873   2HD2  LEU  98          2HD2      LEU  98 -17.548   3.072  -2.848
  874   3HD2  LEU  98          3HD2      LEU  98 -16.186   2.025  -2.451
  875    H    GLU  99           H        GLU  99 -16.500   8.362  -2.892
  876    HA   GLU  99           HA       GLU  99 -19.253   9.125  -2.696
  877   1HB   GLU  99          2HB       GLU  99 -17.351  10.371  -1.639
  878   2HB   GLU  99          1HB       GLU  99 -16.858  10.903  -3.246
  879   1HG   GLU  99          2HG       GLU  99 -18.992  12.051  -3.563
  880   2HG   GLU  99          1HG       GLU  99 -19.565  11.474  -1.999
  881    H    GLU 100           H        GLU 100 -16.923   9.247  -5.353
  882    HA   GLU 100           HA       GLU 100 -18.695  10.801  -7.070
  883   1HB   GLU 100          2HB       GLU 100 -16.906  10.969  -8.481
  884   2HB   GLU 100          1HB       GLU 100 -16.014  10.448  -7.055
  885   1HG   GLU 100          2HG       GLU 100 -15.235   8.979  -8.699
  886   2HG   GLU 100          1HG       GLU 100 -16.511   8.035  -7.930
  887    H    THR 101           H        THR 101 -18.573   7.549  -6.167
  888    HA   THR 101           HA       THR 101 -19.683   6.573  -8.737
  889    HB   THR 101           HB       THR 101 -19.797   4.378  -7.338
  890    HG1  THR 101           1HG      THR 101 -19.508   5.428  -5.336
  891   1HG2  THR 101          1HG2      THR 101 -17.318   4.041  -7.658
  892   2HG2  THR 101          2HG2      THR 101 -17.199   5.753  -8.066
  893   3HG2  THR 101          3HG2      THR 101 -18.152   4.669  -9.079
  894    H    LEU 102           H        LEU 102 -20.695   7.618  -5.581
  895    HA   LEU 102           HA       LEU 102 -23.408   6.445  -5.948
  896   1HB   LEU 102          2HB       LEU 102 -23.778   7.487  -3.638
  897   2HB   LEU 102          1HB       LEU 102 -22.606   6.175  -3.704
  898    HG   LEU 102           HG       LEU 102 -20.929   8.236  -4.125
  899   1HD1  LEU 102          1HD1      LEU 102 -23.225   9.359  -2.484
  900   2HD1  LEU 102          2HD1      LEU 102 -22.688   9.936  -4.061
  901   3HD1  LEU 102          3HD1      LEU 102 -21.645  10.126  -2.652
  902   1HD2  LEU 102          1HD2      LEU 102 -20.919   8.335  -1.444
  903   2HD2  LEU 102          2HD2      LEU 102 -20.345   6.913  -2.314
  904   3HD2  LEU 102          3HD2      LEU 102 -21.974   6.937  -1.641
  905    H    GLU 103           H        GLU 103 -21.636   9.349  -6.371
  906    HA   GLU 103           HA       GLU 103 -23.779  11.269  -6.063
  907   1HB   GLU 103          2HB       GLU 103 -21.057  11.315  -7.343
  908   2HB   GLU 103          1HB       GLU 103 -22.186  12.636  -7.635
  909   1HG   GLU 103          2HG       GLU 103 -22.328  13.133  -5.286
  910   2HG   GLU 103          1HG       GLU 103 -21.417  11.679  -4.870
  911    H    HIS 104           H        HIS 104 -22.152   9.915  -8.903
  912    HA   HIS 104           HA       HIS 104 -24.655   9.791 -10.427
  913   1HB   HIS 104          2HB       HIS 104 -23.938  11.268 -12.214
  914   2HB   HIS 104          1HB       HIS 104 -24.088  12.171 -10.711
  915    HD1  HIS 104           1HD      HIS 104 -21.925  13.014  -9.612
  916    HD2  HIS 104           2HD      HIS 104 -21.298  11.028 -13.225
  917    HE1  HIS 104           1HE      HIS 104 -19.576  13.599 -10.354
  918    HE2  HIS 104           2HE      HIS 104 -19.181  12.398 -12.554
  919    H2   TSA 501           1H2      TSA 501  -4.039  -0.207   4.646
  920    H3   TSA 501           1H3      TSA 501  -6.172  -0.236   5.912
  921    H4   TSA 501           4H       TSA 501  -8.206   0.761   4.873
  922    HO5  TSA 501           HO5      TSA 501  -7.089   1.997   6.452
  923    H5   TSA 501           5H       TSA 501  -7.788   2.755   3.212
  924   1H6   TSA 501          1H6       TSA 501  -5.670   2.616   1.891
  925   2H6   TSA 501          2H6       TSA 501  -5.247   2.826   3.529
  926    H8   TSA 501           8H       TSA 501  -7.508  -0.483   0.853
  927   1H9   TSA 501          1H9       TSA 501  -5.115  -1.036   1.673
  928   2H9   TSA 501          2H9       TSA 501  -5.324   0.303   0.705
  Start of MODEL   10
    1   1H    MET   1          1HT       MET   1 -13.289 -15.723   4.018
    2   2H    MET   1          2HT       MET   1 -14.325 -14.394   4.245
    3   3H    MET   1          3HT       MET   1 -13.885 -15.368   5.566
    4    HA   MET   1           HA       MET   1 -12.535 -13.521   5.833
    5   1HB   MET   1          2HB       MET   1 -10.995 -15.534   4.157
    6   2HB   MET   1          1HB       MET   1 -10.261 -14.306   5.189
    7   1HG   MET   1          2HG       MET   1 -12.140 -16.491   6.153
    8   2HG   MET   1          1HG       MET   1 -10.385 -16.520   6.324
    9   1HE   MET   1          1HE       MET   1  -9.054 -14.850   7.233
   10   2HE   MET   1          2HE       MET   1  -9.379 -14.021   8.753
   11   3HE   MET   1          3HE       MET   1  -9.759 -13.228   7.226
   12    H    ILE   2           H        ILE   2 -14.128 -13.301   3.238
   13    HA   ILE   2           HA       ILE   2 -14.076 -12.037   1.247
   14    HB   ILE   2           HB       ILE   2 -12.059 -10.298   2.660
   15   1HG1  ILE   2          2HG1      ILE   2 -13.639 -10.927   4.404
   16   2HG1  ILE   2          1HG1      ILE   2 -14.005  -9.282   3.881
   17   1HG2  ILE   2          1HG2      ILE   2 -14.499  -9.760   0.942
   18   2HG2  ILE   2          2HG2      ILE   2 -12.817  -9.612   0.435
   19   3HG2  ILE   2          3HG2      ILE   2 -13.470  -8.514   1.650
   20   1HD1  ILE   2          1HD1      ILE   2 -15.714 -10.289   2.290
   21   2HD1  ILE   2          2HD1      ILE   2 -16.103 -10.442   4.003
   22   3HD1  ILE   2          3HD1      ILE   2 -15.459 -11.825   3.118
   23    H    GLU   3           H        GLU   3 -12.944 -13.647  -0.025
   24    HA   GLU   3           HA       GLU   3 -10.060 -13.801  -0.124
   25   1HB   GLU   3          2HB       GLU   3 -12.169 -14.634  -2.141
   26   2HB   GLU   3          1HB       GLU   3 -10.460 -15.058  -2.244
   27   1HG   GLU   3          2HG       GLU   3 -12.258 -15.756   0.095
   28   2HG   GLU   3          1HG       GLU   3 -11.843 -16.867  -1.211
   29    H    LYS   4           H        LYS   4 -12.493 -12.047  -2.022
   30    HA   LYS   4           HA       LYS   4 -10.817 -11.042  -4.069
   31   1HB   LYS   4          2HB       LYS   4 -13.254  -9.831  -2.724
   32   2HB   LYS   4          1HB       LYS   4 -12.496  -9.142  -4.160
   33   1HG   LYS   4          2HG       LYS   4 -12.891 -11.205  -5.409
   34   2HG   LYS   4          1HG       LYS   4 -13.555 -11.980  -3.970
   35   1HD   LYS   4          2HD       LYS   4 -15.492 -11.275  -5.088
   36   2HD   LYS   4          1HD       LYS   4 -15.213  -9.952  -3.957
   37   1HE   LYS   4          2HE       LYS   4 -15.701  -9.133  -6.259
   38   2HE   LYS   4          1HE       LYS   4 -14.099  -8.650  -5.703
   39   1HZ   LYS   4          1HZ       LYS   4 -13.125  -9.841  -7.292
   40   2HZ   LYS   4          2HZ       LYS   4 -14.656  -9.963  -8.020
   41   3HZ   LYS   4          3HZ       LYS   4 -14.096 -11.201  -7.002
   42    H    LEU   5           H        LEU   5 -11.577  -9.612  -0.887
   43    HA   LEU   5           HA       LEU   5  -9.908  -7.295  -1.168
   44   1HB   LEU   5          2HB       LEU   5 -11.675  -7.491   0.538
   45   2HB   LEU   5          1HB       LEU   5 -10.789  -8.798   1.316
   46    HG   LEU   5           HG       LEU   5  -9.219  -6.326   0.920
   47   1HD1  LEU   5          1HD1      LEU   5 -11.328  -5.263   1.454
   48   2HD1  LEU   5          2HD1      LEU   5 -10.339  -5.251   2.913
   49   3HD1  LEU   5          3HD1      LEU   5 -11.643  -6.426   2.741
   50   1HD2  LEU   5          1HD2      LEU   5  -8.384  -6.910   3.088
   51   2HD2  LEU   5          2HD2      LEU   5  -8.609  -8.444   2.245
   52   3HD2  LEU   5          3HD2      LEU   5  -9.794  -7.910   3.438
   53    H    ALA   6           H        ALA   6  -9.303 -10.564   0.039
   54    HA   ALA   6           HA       ALA   6  -6.710 -10.087   1.140
   55   1HB   ALA   6          1HB       ALA   6  -7.769 -12.121   1.737
   56   2HB   ALA   6          2HB       ALA   6  -6.428 -12.603   0.696
   57   3HB   ALA   6          3HB       ALA   6  -8.070 -12.553   0.054
   58    H    GLU   7           H        GLU   7  -7.461 -11.723  -1.975
   59    HA   GLU   7           HA       GLU   7  -4.851 -11.811  -2.976
   60   1HB   GLU   7          2HB       GLU   7  -7.448 -11.370  -4.470
   61   2HB   GLU   7          1HB       GLU   7  -5.913 -11.747  -5.255
   62   1HG   GLU   7          2HG       GLU   7  -5.765 -13.853  -4.004
   63   2HG   GLU   7          1HG       GLU   7  -7.265 -13.472  -3.158
   64    H    ILE   8           H        ILE   8  -7.157  -9.107  -3.116
   65    HA   ILE   8           HA       ILE   8  -5.608  -7.406  -4.808
   66    HB   ILE   8           HB       ILE   8  -7.614  -6.784  -2.633
   67   1HG1  ILE   8          2HG1      ILE   8  -7.864  -6.552  -5.643
   68   2HG1  ILE   8          1HG1      ILE   8  -8.319  -8.008  -4.757
   69   1HG2  ILE   8          1HG2      ILE   8  -6.550  -4.741  -2.731
   70   2HG2  ILE   8          2HG2      ILE   8  -7.632  -4.557  -4.112
   71   3HG2  ILE   8          3HG2      ILE   8  -5.947  -5.015  -4.365
   72   1HD1  ILE   8          1HD1      ILE   8 -10.275  -6.534  -5.118
   73   2HD1  ILE   8          2HD1      ILE   8  -9.446  -5.235  -4.262
   74   3HD1  ILE   8          3HD1      ILE   8  -9.909  -6.704  -3.401
   75    H    ARG   9           H        ARG   9  -5.739  -7.626  -1.238
   76    HA   ARG   9           HA       ARG   9  -3.754  -5.583  -0.811
   77   1HB   ARG   9          2HB       ARG   9  -4.734  -7.857   0.957
   78   2HB   ARG   9          1HB       ARG   9  -3.628  -6.595   1.506
   79   1HG   ARG   9          2HG       ARG   9  -5.426  -4.936   0.600
   80   2HG   ARG   9          1HG       ARG   9  -6.517  -6.321   0.658
   81   1HD   ARG   9          2HD       ARG   9  -5.846  -6.647   3.068
   82   2HD   ARG   9          1HD       ARG   9  -4.942  -5.139   2.957
   83    HE   ARG   9           HE       ARG   9  -7.517  -4.471   2.116
   84   1HH1  ARG   9          1HH2      ARG   9  -6.118  -6.024   4.855
   85   2HH1  ARG   9          2HH2      ARG   9  -7.137  -5.220   6.005
   86   1HH2  ARG   9          1HH1      ARG   9  -8.906  -3.455   3.601
   87   2HH2  ARG   9          2HH1      ARG   9  -8.709  -3.758   5.295
   88    H    LYS  10           H        LYS  10  -3.570  -8.977  -1.608
   89    HA   LYS  10           HA       LYS  10  -0.834  -9.412  -0.795
   90   1HB   LYS  10          2HB       LYS  10  -2.463 -11.249  -1.342
   91   2HB   LYS  10          1HB       LYS  10  -2.378 -10.774  -3.039
   92   1HG   LYS  10          2HG       LYS  10  -0.082 -11.386  -3.207
   93   2HG   LYS  10          1HG       LYS  10   0.103 -11.468  -1.454
   94   1HD   LYS  10          2HD       LYS  10  -0.067 -13.726  -2.529
   95   2HD   LYS  10          1HD       LYS  10  -1.337 -13.426  -1.342
   96   1HE   LYS  10          2HE       LYS  10  -2.979 -13.104  -2.996
   97   2HE   LYS  10          1HE       LYS  10  -1.784 -12.790  -4.254
   98   1HZ   LYS  10          1HZ       LYS  10  -2.806 -15.306  -3.262
   99   2HZ   LYS  10          2HZ       LYS  10  -1.120 -15.265  -3.470
  100   3HZ   LYS  10          3HZ       LYS  10  -2.149 -14.921  -4.778
  101    H    LYS  11           H        LYS  11  -2.401  -8.069  -3.660
  102    HA   LYS  11           HA       LYS  11  -0.093  -7.973  -5.360
  103   1HB   LYS  11          2HB       LYS  11  -2.445  -6.044  -5.249
  104   2HB   LYS  11          1HB       LYS  11  -1.315  -6.212  -6.591
  105   1HG   LYS  11          2HG       LYS  11  -2.023  -8.682  -6.668
  106   2HG   LYS  11          1HG       LYS  11  -3.357  -8.214  -5.615
  107   1HD   LYS  11          2HD       LYS  11  -4.277  -8.016  -7.779
  108   2HD   LYS  11          1HD       LYS  11  -3.817  -6.361  -7.378
  109   1HE   LYS  11          2HE       LYS  11  -1.887  -6.442  -8.745
  110   2HE   LYS  11          1HE       LYS  11  -1.922  -8.204  -8.833
  111   1HZ   LYS  11          1HZ       LYS  11  -4.166  -6.606  -9.885
  112   2HZ   LYS  11          2HZ       LYS  11  -3.690  -8.184 -10.299
  113   3HZ   LYS  11          3HZ       LYS  11  -2.775  -6.854 -10.825
  114    H    ILE  12           H        ILE  12  -1.441  -5.683  -2.991
  115    HA   ILE  12           HA       ILE  12   0.427  -3.580  -3.318
  116    HB   ILE  12           HB       ILE  12  -1.213  -4.580  -1.003
  117   1HG1  ILE  12          2HG1      ILE  12  -2.186  -2.293  -1.209
  118   2HG1  ILE  12          1HG1      ILE  12  -1.078  -1.963  -2.541
  119   1HG2  ILE  12          1HG2      ILE  12   0.692  -3.876   0.200
  120   2HG2  ILE  12          2HG2      ILE  12  -0.345  -2.449   0.190
  121   3HG2  ILE  12          3HG2      ILE  12   1.021  -2.554  -0.920
  122   1HD1  ILE  12          1HD1      ILE  12  -2.910  -4.356  -2.599
  123   2HD1  ILE  12          2HD1      ILE  12  -2.116  -3.547  -3.949
  124   3HD1  ILE  12          3HD1      ILE  12  -3.470  -2.769  -3.129
  125    H    ASP  13           H        ASP  13   0.612  -6.602  -1.502
  126    HA   ASP  13           HA       ASP  13   3.011  -6.144  -0.068
  127   1HB   ASP  13          2HB       ASP  13   1.405  -8.150   0.074
  128   2HB   ASP  13          1HB       ASP  13   2.264  -8.800  -1.320
  129    H    GLU  14           H        GLU  14   2.486  -7.310  -3.389
  130    HA   GLU  14           HA       GLU  14   5.258  -7.760  -3.996
  131   1HB   GLU  14          2HB       GLU  14   2.917  -7.078  -5.803
  132   2HB   GLU  14          1HB       GLU  14   4.498  -7.602  -6.379
  133   1HG   GLU  14          2HG       GLU  14   2.733  -9.209  -4.506
  134   2HG   GLU  14          1HG       GLU  14   2.858  -9.479  -6.244
  135    H    ILE  15           H        ILE  15   3.199  -4.919  -3.983
  136    HA   ILE  15           HA       ILE  15   5.139  -3.241  -5.403
  137    HB   ILE  15           HB       ILE  15   2.840  -2.245  -3.709
  138   1HG1  ILE  15          2HG1      ILE  15   1.814  -3.918  -5.086
  139   2HG1  ILE  15          1HG1      ILE  15   1.515  -2.375  -5.889
  140   1HG2  ILE  15          1HG2      ILE  15   4.186  -1.241  -6.236
  141   2HG2  ILE  15          2HG2      ILE  15   4.404  -0.580  -4.615
  142   3HG2  ILE  15          3HG2      ILE  15   2.840  -0.451  -5.417
  143   1HD1  ILE  15          1HD1      ILE  15   3.657  -2.838  -7.232
  144   2HD1  ILE  15          2HD1      ILE  15   2.257  -3.841  -7.618
  145   3HD1  ILE  15          3HD1      ILE  15   3.555  -4.487  -6.613
  146    H    ASP  16           H        ASP  16   3.876  -3.349  -2.058
  147    HA   ASP  16           HA       ASP  16   5.453  -1.432  -0.837
  148   1HB   ASP  16          2HB       ASP  16   4.614  -4.168   0.163
  149   2HB   ASP  16          1HB       ASP  16   5.393  -2.977   1.203
  150    H    ASN  17           H        ASN  17   6.401  -4.844  -1.356
  151    HA   ASN  17           HA       ASN  17   9.078  -4.509  -0.379
  152   1HB   ASN  17          2HB       ASN  17   7.893  -6.529  -2.311
  153   2HB   ASN  17          1HB       ASN  17   9.516  -6.636  -1.634
  154   1HD2  ASN  17          1HD2      ASN  17   7.692  -8.700  -1.063
  155   2HD2  ASN  17          2HD2      ASN  17   7.225  -8.611   0.574
  156    H    LYS  18           H        LYS  18   7.645  -4.281  -3.614
  157    HA   LYS  18           HA       LYS  18  10.043  -4.047  -5.119
  158   1HB   LYS  18          2HB       LYS  18   7.755  -4.372  -6.072
  159   2HB   LYS  18          1HB       LYS  18   7.383  -2.697  -5.671
  160   1HG   LYS  18          2HG       LYS  18   9.208  -1.926  -7.134
  161   2HG   LYS  18          1HG       LYS  18   9.615  -3.599  -7.521
  162   1HD   LYS  18          2HD       LYS  18   7.349  -3.927  -8.468
  163   2HD   LYS  18          1HD       LYS  18   6.961  -2.246  -8.105
  164   1HE   LYS  18          2HE       LYS  18   8.748  -1.485  -9.605
  165   2HE   LYS  18          1HE       LYS  18   9.205  -3.156  -9.934
  166   1HZ   LYS  18          1HZ       LYS  18   7.228  -1.618 -11.190
  167   2HZ   LYS  18          2HZ       LYS  18   6.457  -2.898 -10.380
  168   3HZ   LYS  18          3HZ       LYS  18   7.678  -3.221 -11.516
  169    H    ILE  19           H        ILE  19   8.073  -1.499  -3.553
  170    HA   ILE  19           HA       ILE  19   9.727   0.662  -4.526
  171    HB   ILE  19           HB       ILE  19   7.442   1.084  -3.816
  172   1HG1  ILE  19          2HG1      ILE  19   9.575   2.667  -3.247
  173   2HG1  ILE  19          1HG1      ILE  19   7.906   3.142  -2.934
  174   1HG2  ILE  19          1HG2      ILE  19   8.440   0.051  -1.156
  175   2HG2  ILE  19          2HG2      ILE  19   7.105  -0.571  -2.126
  176   3HG2  ILE  19          3HG2      ILE  19   6.953   0.987  -1.313
  177   1HD1  ILE  19          1HD1      ILE  19   8.051   2.549  -0.641
  178   2HD1  ILE  19          2HD1      ILE  19   9.557   3.399  -0.982
  179   3HD1  ILE  19          3HD1      ILE  19   9.541   1.638  -0.888
  180    H    LEU  20           H        LEU  20   9.891  -1.445  -1.714
  181    HA   LEU  20           HA       LEU  20  11.741   0.131  -0.177
  182   1HB   LEU  20          2HB       LEU  20  11.078  -2.812  -0.282
  183   2HB   LEU  20          1HB       LEU  20  12.397  -2.225   0.729
  184    HG   LEU  20           HG       LEU  20   9.578  -1.120   0.875
  185   1HD1  LEU  20          1HD1      LEU  20   9.291  -3.340   1.587
  186   2HD1  LEU  20          2HD1      LEU  20   9.648  -2.495   3.094
  187   3HD1  LEU  20          3HD1      LEU  20  10.909  -3.427   2.285
  188   1HD2  LEU  20          1HD2      LEU  20  10.594  -0.589   3.254
  189   2HD2  LEU  20          2HD2      LEU  20  10.974   0.460   1.888
  190   3HD2  LEU  20          3HD2      LEU  20  12.136  -0.758   2.415
  191    H    LYS  21           H        LYS  21  12.139  -2.212  -2.809
  192    HA   LYS  21           HA       LYS  21  15.056  -2.214  -2.608
  193   1HB   LYS  21          2HB       LYS  21  13.293  -3.151  -4.890
  194   2HB   LYS  21          1HB       LYS  21  14.988  -3.564  -4.643
  195   1HG   LYS  21          2HG       LYS  21  12.776  -4.235  -2.677
  196   2HG   LYS  21          1HG       LYS  21  13.398  -5.359  -3.887
  197   1HD   LYS  21          2HD       LYS  21  15.720  -4.887  -2.882
  198   2HD   LYS  21          1HD       LYS  21  14.854  -4.168  -1.524
  199   1HE   LYS  21          2HE       LYS  21  13.659  -6.267  -1.131
  200   2HE   LYS  21          1HE       LYS  21  14.422  -6.991  -2.546
  201   1HZ   LYS  21          1HZ       LYS  21  15.494  -7.568  -0.404
  202   2HZ   LYS  21          2HZ       LYS  21  15.922  -5.934  -0.215
  203   3HZ   LYS  21          3HZ       LYS  21  16.545  -6.834  -1.515
  204    H    ALA  22           H        ALA  22  15.019   0.279  -2.660
  205    HA   ALA  22           HA       ALA  22  14.352   1.696  -5.041
  206   1HB   ALA  22          1HB       ALA  22  14.730   2.909  -2.982
  207   2HB   ALA  22          2HB       ALA  22  15.949   3.434  -4.145
  208   3HB   ALA  22          3HB       ALA  22  16.378   2.294  -2.870
  209    H    ARG  23           H        ARG  23  17.371   0.112  -4.035
  210    HA   ARG  23           HA       ARG  23  19.106   1.006  -6.044
  211   1HB   ARG  23          2HB       ARG  23  18.855  -1.739  -4.771
  212   2HB   ARG  23          1HB       ARG  23  20.180  -1.291  -5.843
  213   1HG   ARG  23          2HG       ARG  23  20.816   0.545  -4.335
  214   2HG   ARG  23          1HG       ARG  23  19.448   0.172  -3.285
  215   1HD   ARG  23          2HD       ARG  23  20.402  -2.061  -2.818
  216   2HD   ARG  23          1HD       ARG  23  21.771  -1.712  -3.880
  217    HE   ARG  23           HE       ARG  23  21.792   0.368  -2.028
  218   1HH1  ARG  23          1HH2      ARG  23  21.810  -3.080  -1.924
  219   2HH1  ARG  23          2HH2      ARG  23  22.725  -3.159  -0.455
  220   1HH2  ARG  23          1HH1      ARG  23  22.974   0.270  -0.083
  221   2HH2  ARG  23          2HH1      ARG  23  23.377  -1.278   0.586
  222    H    TRP  24           H        TRP  24  16.688  -1.610  -6.252
  223    HA   TRP  24           HA       TRP  24  17.210  -2.649  -8.775
  224   1HB   TRP  24          2HB       TRP  24  15.270  -3.202  -7.158
  225   2HB   TRP  24          1HB       TRP  24  14.399  -1.904  -7.968
  226    HD1  TRP  24           HD       TRP  24  13.346  -2.412 -10.276
  227    HE1  TRP  24           1HE      TRP  24  13.299  -4.474 -11.826
  228    HE3  TRP  24           3HE      TRP  24  16.775  -5.365  -7.915
  229    HZ2  TRP  24           2HZ      TRP  24  14.556  -7.041 -12.033
  230    HZ3  TRP  24           3HZ      TRP  24  17.333  -7.608  -8.806
  231    HH2  TRP  24           HH       TRP  24  16.230  -8.450 -10.860
  232    HA   PRO  25           HA       PRO  25  16.905   0.887 -11.432
  233   1HB   PRO  25          2HB       PRO  25  16.893  -0.368 -13.837
  234   2HB   PRO  25          1HB       PRO  25  18.344  -0.298 -12.816
  235   1HG   PRO  25          2HG       PRO  25  16.359  -2.513 -13.123
  236   2HG   PRO  25          1HG       PRO  25  18.131  -2.589 -13.112
  237   1HD   PRO  25          2HD       PRO  25  16.656  -3.185 -10.905
  238   2HD   PRO  25          1HD       PRO  25  18.261  -2.430 -10.792
  239    H    TRP  26           H        TRP  26  15.386   1.944 -12.871
  240    HA   TRP  26           HA       TRP  26  13.237   2.453 -13.665
  241   1HB   TRP  26          2HB       TRP  26  13.724   0.265 -14.929
  242   2HB   TRP  26          1HB       TRP  26  12.723  -0.525 -13.711
  243    HD1  TRP  26           HD       TRP  26  10.177  -0.386 -13.995
  244    HE1  TRP  26           1HE      TRP  26   8.595   0.828 -15.629
  245    HE3  TRP  26           3HE      TRP  26  13.537   2.603 -16.409
  246    HZ2  TRP  26           2HZ      TRP  26   8.740   2.809 -17.693
  247    HZ3  TRP  26           3HZ      TRP  26  12.792   4.143 -18.202
  248    HH2  TRP  26           HH       TRP  26  10.400   4.250 -18.846
  249    H    ALA  27           H        ALA  27  13.851   1.674 -10.714
  250    HA   ALA  27           HA       ALA  27  11.362   0.610  -9.687
  251   1HB   ALA  27          1HB       ALA  27  13.647   2.103  -8.370
  252   2HB   ALA  27          2HB       ALA  27  13.348   0.364  -8.346
  253   3HB   ALA  27          3HB       ALA  27  12.268   1.456  -7.479
  254    H    GLU  28           H        GLU  28  12.780   3.892  -9.478
  255    HA   GLU  28           HA       GLU  28  11.724   5.967  -9.138
  256   1HB   GLU  28          2HB       GLU  28   9.772   4.574 -10.994
  257   2HB   GLU  28          1HB       GLU  28   9.688   6.289 -10.591
  258   1HG   GLU  28          2HG       GLU  28  11.922   6.652 -11.514
  259   2HG   GLU  28          1HG       GLU  28  12.093   4.926 -11.837
  260    H    LYS  29           H        LYS  29   9.274   6.847  -8.657
  261    HA   LYS  29           HA       LYS  29   8.484   5.395  -6.211
  262   1HB   LYS  29          2HB       LYS  29   7.629   8.066  -7.368
  263   2HB   LYS  29          1HB       LYS  29   6.994   7.399  -5.865
  264   1HG   LYS  29          2HG       LYS  29   9.203   7.397  -4.862
  265   2HG   LYS  29          1HG       LYS  29   9.940   7.883  -6.390
  266   1HD   LYS  29          2HD       LYS  29   9.751   9.876  -5.066
  267   2HD   LYS  29          1HD       LYS  29   8.487   9.969  -6.293
  268   1HE   LYS  29          2HE       LYS  29   6.788   9.390  -4.748
  269   2HE   LYS  29          1HE       LYS  29   7.948   8.793  -3.565
  270   1HZ   LYS  29          1HZ       LYS  29   8.813  11.181  -3.576
  271   2HZ   LYS  29          2HZ       LYS  29   7.355  10.868  -2.763
  272   3HZ   LYS  29          3HZ       LYS  29   7.336  11.581  -4.306
  273    H    LEU  30           H        LEU  30   6.534   4.313  -5.981
  274    HA   LEU  30           HA       LEU  30   4.840   4.174  -8.439
  275   1HB   LEU  30          2HB       LEU  30   5.082   2.106  -6.229
  276   2HB   LEU  30          1HB       LEU  30   4.186   1.930  -7.737
  277    HG   LEU  30           HG       LEU  30   7.188   2.334  -7.532
  278   1HD1  LEU  30          1HD1      LEU  30   5.696  -0.133  -8.444
  279   2HD1  LEU  30          2HD1      LEU  30   6.207   0.086  -6.770
  280   3HD1  LEU  30          3HD1      LEU  30   7.410   0.020  -8.057
  281   1HD2  LEU  30          1HD2      LEU  30   6.564   3.217  -9.622
  282   2HD2  LEU  30          2HD2      LEU  30   5.238   2.070  -9.817
  283   3HD2  LEU  30          3HD2      LEU  30   6.906   1.531 -10.008
  284    H    ILE  31           H        ILE  31   2.788   4.941  -8.262
  285    HA   ILE  31           HA       ILE  31   1.533   5.048  -5.562
  286    HB   ILE  31           HB       ILE  31   1.750   7.373  -7.503
  287   1HG1  ILE  31          2HG1      ILE  31   2.584   7.165  -4.594
  288   2HG1  ILE  31          1HG1      ILE  31   3.689   6.885  -5.940
  289   1HG2  ILE  31          1HG2      ILE  31   0.075   6.968  -5.014
  290   2HG2  ILE  31          2HG2      ILE  31  -0.481   7.403  -6.630
  291   3HG2  ILE  31          3HG2      ILE  31   0.437   8.564  -5.671
  292   1HD1  ILE  31          1HD1      ILE  31   2.080   9.431  -5.652
  293   2HD1  ILE  31          2HD1      ILE  31   3.443   9.135  -6.731
  294   3HD1  ILE  31          3HD1      ILE  31   3.705   9.249  -4.989
  295    H    ALA  32           H        ALA  32   1.201   5.146  -9.074
  296    HA   ALA  32           HA       ALA  32  -1.639   5.257  -9.234
  297   1HB   ALA  32          1HB       ALA  32  -1.360   4.325 -11.483
  298   2HB   ALA  32          2HB       ALA  32   0.278   3.808 -11.084
  299   3HB   ALA  32          3HB       ALA  32  -0.106   5.527 -11.176
  300    H    GLU  33           H        GLU  33   0.521   2.394  -9.249
  301    HA   GLU  33           HA       GLU  33  -1.469   0.403  -9.352
  302   1HB   GLU  33          2HB       GLU  33   1.193   0.402  -7.895
  303   2HB   GLU  33          1HB       GLU  33   0.210  -1.039  -8.149
  304   1HG   GLU  33          2HG       GLU  33   1.693  -1.113  -9.962
  305   2HG   GLU  33          1HG       GLU  33   0.275  -0.337 -10.666
  306    H    ARG  34           H        ARG  34  -0.022   1.920  -6.444
  307    HA   ARG  34           HA       ARG  34  -1.627   0.542  -4.536
  308   1HB   ARG  34          2HB       ARG  34  -0.150   3.168  -4.544
  309   2HB   ARG  34          1HB       ARG  34  -1.209   2.781  -3.194
  310   1HG   ARG  34          2HG       ARG  34   0.609   0.580  -3.953
  311   2HG   ARG  34          1HG       ARG  34   1.420   2.031  -3.360
  312   1HD   ARG  34          2HD       ARG  34   0.650   0.258  -1.657
  313   2HD   ARG  34          1HD       ARG  34   0.380   1.937  -1.293
  314    HE   ARG  34           HE       ARG  34  -1.997   1.005  -2.565
  315   1HH1  ARG  34          1HH2      ARG  34   0.026   0.292   0.115
  316   2HH1  ARG  34          2HH2      ARG  34  -1.263  -0.312   1.099
  317   1HH2  ARG  34          1HH1      ARG  34  -3.719   0.192  -1.303
  318   2HH2  ARG  34          2HH1      ARG  34  -3.370  -0.367   0.303
  319    H    ASN  35           H        ASN  35  -2.175   3.594  -6.278
  320    HA   ASN  35           HA       ASN  35  -4.624   4.268  -4.989
  321   1HB   ASN  35          2HB       ASN  35  -3.447   5.898  -6.396
  322   2HB   ASN  35          1HB       ASN  35  -3.675   4.863  -7.810
  323   1HD2  ASN  35          1HD2      ASN  35  -4.798   7.660  -6.848
  324   2HD2  ASN  35          2HD2      ASN  35  -6.456   7.532  -7.213
  325    H    SER  36           H        SER  36  -3.979   2.373  -7.950
  326    HA   SER  36           HA       SER  36  -6.561   1.847  -8.842
  327   1HB   SER  36          2HB       SER  36  -4.115   0.093  -8.673
  328   2HB   SER  36          1HB       SER  36  -5.618  -0.522  -9.354
  329    HG   SER  36           HG       SER  36  -3.801   1.247 -10.381
  330    H    LEU  37           H        LEU  37  -5.086  -0.868  -7.153
  331    HA   LEU  37           HA       LEU  37  -7.207  -2.177  -6.130
  332   1HB   LEU  37          2HB       LEU  37  -4.880  -1.366  -4.365
  333   2HB   LEU  37          1HB       LEU  37  -5.944  -2.742  -4.106
  334    HG   LEU  37           HG       LEU  37  -4.126  -3.768  -5.113
  335   1HD1  LEU  37          1HD1      LEU  37  -5.643  -2.871  -7.570
  336   2HD1  LEU  37          2HD1      LEU  37  -6.221  -4.121  -6.470
  337   3HD1  LEU  37          3HD1      LEU  37  -4.724  -4.362  -7.370
  338   1HD2  LEU  37          1HD2      LEU  37  -2.582  -2.762  -6.544
  339   2HD2  LEU  37          2HD2      LEU  37  -3.132  -1.389  -5.584
  340   3HD2  LEU  37          3HD2      LEU  37  -3.776  -1.646  -7.205
  341    H    ALA  38           H        ALA  38  -5.943   0.839  -4.721
  342    HA   ALA  38           HA       ALA  38  -7.544   1.101  -2.460
  343   1HB   ALA  38          1HB       ALA  38  -5.784   2.723  -3.688
  344   2HB   ALA  38          2HB       ALA  38  -6.882   3.288  -2.427
  345   3HB   ALA  38          3HB       ALA  38  -7.281   3.544  -4.126
  346    H    LYS  39           H        LYS  39  -8.425   2.115  -5.772
  347    HA   LYS  39           HA       LYS  39 -11.073   2.989  -5.040
  348   1HB   LYS  39          2HB       LYS  39 -10.078   3.811  -7.082
  349   2HB   LYS  39          1HB       LYS  39  -9.866   2.170  -7.692
  350   1HG   LYS  39          2HG       LYS  39 -12.634   2.819  -6.921
  351   2HG   LYS  39          1HG       LYS  39 -12.019   3.767  -8.275
  352   1HD   LYS  39          2HD       LYS  39 -11.594   0.793  -8.219
  353   2HD   LYS  39          1HD       LYS  39 -13.145   1.447  -8.746
  354   1HE   LYS  39          2HE       LYS  39 -10.587   2.536  -9.893
  355   2HE   LYS  39          1HE       LYS  39 -11.272   1.040 -10.530
  356   1HZ   LYS  39          1HZ       LYS  39 -12.540   3.718 -10.434
  357   2HZ   LYS  39          2HZ       LYS  39 -13.404   2.297 -10.782
  358   3HZ   LYS  39          3HZ       LYS  39 -12.149   2.804 -11.808
  359    H    ASP  40           H        ASP  40  -9.900  -0.018  -6.590
  360    HA   ASP  40           HA       ASP  40 -12.438  -1.291  -6.775
  361   1HB   ASP  40          2HB       ASP  40  -9.622  -2.376  -6.523
  362   2HB   ASP  40          1HB       ASP  40 -11.021  -3.426  -6.744
  363    H    VAL  41           H        VAL  41 -10.019  -1.274  -4.161
  364    HA   VAL  41           HA       VAL  41 -11.358  -3.109  -2.434
  365    HB   VAL  41           HB       VAL  41  -9.539  -0.761  -1.825
  366   1HG1  VAL  41          1HG1      VAL  41 -10.697  -1.132   0.204
  367   2HG1  VAL  41          2HG1      VAL  41  -9.230  -2.095   0.367
  368   3HG1  VAL  41          3HG1      VAL  41 -10.754  -2.877  -0.049
  369   1HG2  VAL  41          1HG2      VAL  41  -8.739  -2.832  -3.165
  370   2HG2  VAL  41          2HG2      VAL  41  -8.906  -3.708  -1.645
  371   3HG2  VAL  41          3HG2      VAL  41  -7.785  -2.352  -1.761
  372    H    ALA  42           H        ALA  42 -11.583   0.422  -2.767
  373    HA   ALA  42           HA       ALA  42 -13.267   1.067  -0.651
  374   1HB   ALA  42          1HB       ALA  42 -12.517   2.266  -3.115
  375   2HB   ALA  42          2HB       ALA  42 -13.284   3.045  -1.732
  376   3HB   ALA  42          3HB       ALA  42 -14.276   2.360  -3.019
  377    H    GLU  43           H        GLU  43 -14.258  -0.175  -3.847
  378    HA   GLU  43           HA       GLU  43 -17.046  -0.264  -3.421
  379   1HB   GLU  43          2HB       GLU  43 -15.933  -0.753  -5.597
  380   2HB   GLU  43          1HB       GLU  43 -15.351  -2.281  -4.935
  381   1HG   GLU  43          2HG       GLU  43 -17.670  -3.025  -4.578
  382   2HG   GLU  43          1HG       GLU  43 -18.266  -1.487  -5.200
  383    H    ILE  44           H        ILE  44 -14.818  -3.051  -3.097
  384    HA   ILE  44           HA       ILE  44 -16.521  -4.853  -1.842
  385    HB   ILE  44           HB       ILE  44 -13.583  -4.317  -1.475
  386   1HG1  ILE  44          2HG1      ILE  44 -13.315  -6.372  -2.709
  387   2HG1  ILE  44          1HG1      ILE  44 -15.031  -6.745  -2.561
  388   1HG2  ILE  44          1HG2      ILE  44 -15.352  -6.199   0.054
  389   2HG2  ILE  44          2HG2      ILE  44 -14.024  -5.198   0.643
  390   3HG2  ILE  44          3HG2      ILE  44 -13.685  -6.654  -0.295
  391   1HD1  ILE  44          1HD1      ILE  44 -13.987  -4.288  -3.987
  392   2HD1  ILE  44          2HD1      ILE  44 -15.633  -4.919  -4.006
  393   3HD1  ILE  44          3HD1      ILE  44 -14.339  -5.806  -4.813
  394    H    LYS  45           H        LYS  45 -14.766  -2.144  -0.354
  395    HA   LYS  45           HA       LYS  45 -15.328  -2.764   2.370
  396   1HB   LYS  45          2HB       LYS  45 -14.988  -0.054   1.033
  397   2HB   LYS  45          1HB       LYS  45 -14.973  -0.323   2.776
  398   1HG   LYS  45          2HG       LYS  45 -13.119  -1.927   1.043
  399   2HG   LYS  45          1HG       LYS  45 -12.698  -0.260   1.434
  400   1HD   LYS  45          2HD       LYS  45 -13.166  -0.887   3.884
  401   2HD   LYS  45          1HD       LYS  45 -13.138  -2.564   3.341
  402   1HE   LYS  45          2HE       LYS  45 -10.917  -1.799   4.182
  403   2HE   LYS  45          1HE       LYS  45 -10.864  -2.290   2.489
  404   1HZ   LYS  45          1HZ       LYS  45  -9.858  -0.009   3.320
  405   2HZ   LYS  45          2HZ       LYS  45 -11.452   0.514   3.056
  406   3HZ   LYS  45          3HZ       LYS  45 -10.560  -0.174   1.784
  407    H    ASN  46           H        ASN  46 -17.141  -0.809   0.010
  408    HA   ASN  46           HA       ASN  46 -19.260  -0.021   1.748
  409   1HB   ASN  46          2HB       ASN  46 -18.933   1.027  -0.431
  410   2HB   ASN  46          1HB       ASN  46 -19.228  -0.509  -1.245
  411   1HD2  ASN  46          1HD2      ASN  46 -20.957   1.270   1.383
  412   2HD2  ASN  46          2HD2      ASN  46 -22.477   1.192   0.633
  413    H    GLN  47           H        GLN  47 -18.748  -2.914  -0.224
  414    HA   GLN  47           HA       GLN  47 -21.383  -4.011   0.360
  415   1HB   GLN  47          2HB       GLN  47 -20.842  -5.528  -1.232
  416   2HB   GLN  47          1HB       GLN  47 -19.396  -4.558  -1.505
  417   1HG   GLN  47          2HG       GLN  47 -18.254  -5.903   0.297
  418   2HG   GLN  47          1HG       GLN  47 -19.665  -6.959   0.317
  419   1HE2  GLN  47          1HE2      GLN  47 -17.738  -8.512  -0.382
  420   2HE2  GLN  47          2HE2      GLN  47 -17.511  -8.681  -2.055
  421    H    LEU  48           H        LEU  48 -18.496  -3.711   2.106
  422    HA   LEU  48           HA       LEU  48 -19.002  -6.127   3.760
  423   1HB   LEU  48          2HB       LEU  48 -16.761  -4.083   3.705
  424   2HB   LEU  48          1HB       LEU  48 -16.919  -5.272   4.997
  425    HG   LEU  48           HG       LEU  48 -16.794  -6.019   2.063
  426   1HD1  LEU  48          1HD1      LEU  48 -14.578  -6.053   4.138
  427   2HD1  LEU  48          2HD1      LEU  48 -14.708  -4.879   2.828
  428   3HD1  LEU  48          3HD1      LEU  48 -14.443  -6.584   2.461
  429   1HD2  LEU  48          1HD2      LEU  48 -15.972  -8.199   3.314
  430   2HD2  LEU  48          2HD2      LEU  48 -17.697  -7.857   3.186
  431   3HD2  LEU  48          3HD2      LEU  48 -16.836  -7.497   4.682
  432    H    GLY  49           H        GLY  49 -19.985  -2.941   3.588
  433   1HA   GLY  49          2HA       GLY  49 -21.090  -1.521   5.084
  434   2HA   GLY  49          1HA       GLY  49 -21.459  -2.977   6.003
  435    H    ILE  50           H        ILE  50 -18.450  -1.097   5.352
  436    HA   ILE  50           HA       ILE  50 -18.183  -0.655   8.264
  437    HB   ILE  50           HB       ILE  50 -15.666  -1.409   7.926
  438   1HG1  ILE  50          2HG1      ILE  50 -15.556  -3.436   6.486
  439   2HG1  ILE  50          1HG1      ILE  50 -17.189  -3.097   5.912
  440   1HG2  ILE  50          1HG2      ILE  50 -17.956  -3.359   8.306
  441   2HG2  ILE  50          2HG2      ILE  50 -17.262  -2.333   9.562
  442   3HG2  ILE  50          3HG2      ILE  50 -16.291  -3.613   8.832
  443   1HD1  ILE  50          1HD1      ILE  50 -15.132  -0.927   5.723
  444   2HD1  ILE  50          2HD1      ILE  50 -16.517  -1.247   4.679
  445   3HD1  ILE  50          3HD1      ILE  50 -15.069  -2.247   4.556
  446    HA   PRO  51           HA       PRO  51 -16.501   3.233   7.188
  447   1HB   PRO  51          2HB       PRO  51 -14.255   3.362   8.817
  448   2HB   PRO  51          1HB       PRO  51 -15.919   3.677   9.355
  449   1HG   PRO  51          2HG       PRO  51 -14.328   1.145   9.524
  450   2HG   PRO  51          1HG       PRO  51 -15.314   1.939  10.769
  451   1HD   PRO  51          2HD       PRO  51 -16.338  -0.133   9.486
  452   2HD   PRO  51          1HD       PRO  51 -17.356   1.303   9.731
  453    H    ILE  52           H        ILE  52 -15.123   4.104   5.671
  454    HA   ILE  52           HA       ILE  52 -13.470   2.371   4.090
  455    HB   ILE  52           HB       ILE  52 -13.445   5.405   4.210
  456   1HG1  ILE  52          2HG1      ILE  52 -15.080   3.577   2.427
  457   2HG1  ILE  52          1HG1      ILE  52 -15.718   4.377   3.863
  458   1HG2  ILE  52          1HG2      ILE  52 -12.607   3.411   2.082
  459   2HG2  ILE  52          2HG2      ILE  52 -11.551   4.512   2.969
  460   3HG2  ILE  52          3HG2      ILE  52 -12.728   5.150   1.820
  461   1HD1  ILE  52          1HD1      ILE  52 -14.392   5.891   1.602
  462   2HD1  ILE  52          2HD1      ILE  52 -15.362   6.550   2.920
  463   3HD1  ILE  52          3HD1      ILE  52 -16.129   5.587   1.657
  464    H    ASN  53           H        ASN  53 -12.722   4.822   6.563
  465    HA   ASN  53           HA       ASN  53  -9.865   4.509   6.294
  466   1HB   ASN  53          2HB       ASN  53 -11.045   6.518   7.328
  467   2HB   ASN  53          1HB       ASN  53 -11.340   5.506   8.744
  468   1HD2  ASN  53          1HD2      ASN  53  -9.752   5.700  10.315
  469   2HD2  ASN  53          2HD2      ASN  53  -8.115   6.064  10.023
  470    H    ASP  54           H        ASP  54  -8.534   3.036   7.254
  471    HA   ASP  54           HA       ASP  54  -9.533   1.466   9.551
  472   1HB   ASP  54          2HB       ASP  54 -10.150   0.314   7.350
  473   2HB   ASP  54          1HB       ASP  54  -8.419   0.066   7.124
  474    HA   PRO  55           HA       PRO  55  -5.084   2.837   9.904
  475   1HB   PRO  55          2HB       PRO  55  -5.913   2.608  12.761
  476   2HB   PRO  55          1HB       PRO  55  -5.060   3.933  11.942
  477   1HG   PRO  55          2HG       PRO  55  -7.621   4.159  12.650
  478   2HG   PRO  55          1HG       PRO  55  -7.004   4.875  11.151
  479   1HD   PRO  55          2HD       PRO  55  -8.645   2.393  11.514
  480   2HD   PRO  55          1HD       PRO  55  -8.691   3.598  10.206
  481    H    GLU  56           H        GLU  56  -6.592   0.703  12.348
  482    HA   GLU  56           HA       GLU  56  -4.674  -0.992  13.134
  483   1HB   GLU  56          2HB       GLU  56  -7.270  -1.907  11.857
  484   2HB   GLU  56          1HB       GLU  56  -6.248  -2.914  12.884
  485   1HG   GLU  56          2HG       GLU  56  -7.820  -2.073  14.414
  486   2HG   GLU  56          1HG       GLU  56  -6.471  -0.950  14.601
  487    H    ARG  57           H        ARG  57  -6.311  -1.669  10.027
  488    HA   ARG  57           HA       ARG  57  -4.458  -3.548   9.035
  489   1HB   ARG  57          2HB       ARG  57  -6.515  -3.255   7.849
  490   2HB   ARG  57          1HB       ARG  57  -6.225  -1.532   7.635
  491   1HG   ARG  57          2HG       ARG  57  -5.808  -2.750   5.539
  492   2HG   ARG  57          1HG       ARG  57  -4.320  -2.026   6.144
  493   1HD   ARG  57          2HD       ARG  57  -3.587  -4.140   7.043
  494   2HD   ARG  57          1HD       ARG  57  -5.138  -4.883   6.654
  495    HE   ARG  57           HE       ARG  57  -4.314  -4.038   4.190
  496   1HH1  ARG  57          1HH2      ARG  57  -2.836  -5.802   6.771
  497   2HH1  ARG  57          2HH2      ARG  57  -1.931  -6.851   5.714
  498   1HH2  ARG  57          1HH1      ARG  57  -3.115  -5.389   2.807
  499   2HH2  ARG  57          2HH1      ARG  57  -2.106  -6.624   3.485
  500    H    GLU  58           H        GLU  58  -4.480  -0.001   8.642
  501    HA   GLU  58           HA       GLU  58  -2.077   0.128   7.076
  502   1HB   GLU  58          2HB       GLU  58  -3.279   2.208   8.939
  503   2HB   GLU  58          1HB       GLU  58  -2.065   2.521   7.696
  504   1HG   GLU  58          2HG       GLU  58  -3.607   1.868   5.939
  505   2HG   GLU  58          1HG       GLU  58  -4.801   1.341   7.126
  506    H    LYS  59           H        LYS  59  -2.705   0.185  10.574
  507    HA   LYS  59           HA       LYS  59  -0.039   0.805  11.418
  508   1HB   LYS  59          2HB       LYS  59  -2.250  -0.796  12.752
  509   2HB   LYS  59          1HB       LYS  59  -0.742  -0.370  13.557
  510   1HG   LYS  59          2HG       LYS  59  -2.401   1.777  12.252
  511   2HG   LYS  59          1HG       LYS  59  -2.827   1.190  13.858
  512   1HD   LYS  59          2HD       LYS  59  -0.805   1.925  14.804
  513   2HD   LYS  59          1HD       LYS  59   0.001   2.017  13.239
  514   1HE   LYS  59          2HE       LYS  59  -2.376   3.766  13.851
  515   2HE   LYS  59          1HE       LYS  59  -0.755   4.241  14.351
  516   1HZ   LYS  59          1HZ       LYS  59  -1.929   4.410  11.798
  517   2HZ   LYS  59          2HZ       LYS  59  -0.579   3.382  11.716
  518   3HZ   LYS  59          3HZ       LYS  59  -0.410   4.967  12.304
  519    H    TYR  60           H        TYR  60  -1.675  -2.247  10.659
  520    HA   TYR  60           HA       TYR  60   0.354  -4.068  11.420
  521   1HB   TYR  60          2HB       TYR  60  -1.868  -4.828  10.759
  522   2HB   TYR  60          1HB       TYR  60  -1.632  -4.202   9.130
  523    HD1  TYR  60           1HD      TYR  60  -0.300  -5.392   7.502
  524    HD2  TYR  60           2HD      TYR  60  -0.578  -6.797  11.554
  525    HE1  TYR  60           1HE      TYR  60   0.767  -7.529   6.834
  526    HE2  TYR  60           2HE      TYR  60   0.484  -8.936  10.883
  527    HH   TYR  60           HH       TYR  60   1.515 -10.043   9.244
  528    H    ILE  61           H        ILE  61  -0.066  -2.190   8.441
  529    HA   ILE  61           HA       ILE  61   2.077  -3.360   6.948
  530    HB   ILE  61           HB       ILE  61   0.830  -0.601   6.886
  531   1HG1  ILE  61          2HG1      ILE  61  -0.398  -2.801   6.164
  532   2HG1  ILE  61          1HG1      ILE  61  -0.461  -1.396   5.100
  533   1HG2  ILE  61          1HG2      ILE  61   1.988  -0.525   4.584
  534   2HG2  ILE  61          2HG2      ILE  61   3.023  -1.811   5.204
  535   3HG2  ILE  61          3HG2      ILE  61   2.992  -0.241   6.005
  536   1HD1  ILE  61          1HD1      ILE  61   1.767  -3.377   4.768
  537   2HD1  ILE  61          2HD1      ILE  61   1.032  -2.320   3.564
  538   3HD1  ILE  61          3HD1      ILE  61   0.174  -3.759   4.117
  539    H    TYR  62           H        TYR  62   1.976  -0.601   9.206
  540    HA   TYR  62           HA       TYR  62   4.603   0.360   8.888
  541   1HB   TYR  62          2HB       TYR  62   2.696   0.265  11.224
  542   2HB   TYR  62          1HB       TYR  62   4.343   0.842  11.475
  543    HD1  TYR  62           1HD      TYR  62   1.889   1.230   8.644
  544    HD2  TYR  62           2HD      TYR  62   4.379   3.171  11.560
  545    HE1  TYR  62           1HE      TYR  62   1.249   3.446   7.723
  546    HE2  TYR  62           2HE      TYR  62   3.741   5.382  10.636
  547    HH   TYR  62           HH       TYR  62   1.943   6.382   9.345
  548    H    ASP  63           H        ASP  63   3.423  -2.261  10.995
  549    HA   ASP  63           HA       ASP  63   6.031  -2.943  12.024
  550   1HB   ASP  63          2HB       ASP  63   3.743  -3.534  13.031
  551   2HB   ASP  63          1HB       ASP  63   3.652  -4.801  11.809
  552    H    ARG  64           H        ARG  64   4.138  -3.933   9.221
  553    HA   ARG  64           HA       ARG  64   5.730  -6.229   8.504
  554   1HB   ARG  64          2HB       ARG  64   3.403  -5.741   7.636
  555   2HB   ARG  64          1HB       ARG  64   4.099  -4.464   6.641
  556   1HG   ARG  64          2HG       ARG  64   5.688  -6.284   5.730
  557   2HG   ARG  64          1HG       ARG  64   4.585  -7.438   6.469
  558   1HD   ARG  64          2HD       ARG  64   3.865  -5.395   4.359
  559   2HD   ARG  64          1HD       ARG  64   3.937  -7.144   4.137
  560    HE   ARG  64           HE       ARG  64   2.106  -6.586   6.251
  561   1HH1  ARG  64          1HH2      ARG  64   2.513  -5.910   2.994
  562   2HH1  ARG  64          2HH2      ARG  64   0.838  -5.650   2.671
  563   1HH2  ARG  64          1HH1      ARG  64  -0.125  -6.291   5.945
  564   2HH2  ARG  64          2HH1      ARG  64  -0.687  -5.868   4.355
  565    H    ILE  65           H        ILE  65   5.739  -2.845   7.361
  566    HA   ILE  65           HA       ILE  65   7.895  -3.160   5.511
  567    HB   ILE  65           HB       ILE  65   6.983  -0.711   7.051
  568   1HG1  ILE  65          2HG1      ILE  65   5.245  -1.632   5.585
  569   2HG1  ILE  65          1HG1      ILE  65   5.874  -0.133   4.904
  570   1HG2  ILE  65          1HG2      ILE  65   8.143   0.484   5.120
  571   2HG2  ILE  65          2HG2      ILE  65   8.923  -1.057   4.761
  572   3HG2  ILE  65          3HG2      ILE  65   9.206  -0.266   6.311
  573   1HD1  ILE  65          1HD1      ILE  65   6.256  -2.950   3.963
  574   2HD1  ILE  65          2HD1      ILE  65   7.533  -1.775   3.650
  575   3HD1  ILE  65          3HD1      ILE  65   5.905  -1.498   3.029
  576    H    ARG  66           H        ARG  66   7.879  -2.156   8.946
  577    HA   ARG  66           HA       ARG  66  10.619  -1.527   9.212
  578   1HB   ARG  66          2HB       ARG  66   8.647  -2.721  11.184
  579   2HB   ARG  66          1HB       ARG  66  10.300  -2.324  11.637
  580   1HG   ARG  66          2HG       ARG  66   9.936   0.013  10.961
  581   2HG   ARG  66          1HG       ARG  66   8.282  -0.372  10.495
  582   1HD   ARG  66          2HD       ARG  66   9.308  -0.894  13.276
  583   2HD   ARG  66          1HD       ARG  66   8.617   0.655  12.826
  584    HE   ARG  66           HE       ARG  66   6.812  -1.445  12.070
  585   1HH1  ARG  66          1HH2      ARG  66   8.215  -0.155  14.857
  586   2HH1  ARG  66          2HH2      ARG  66   6.947  -0.712  15.921
  587   1HH2  ARG  66          1HH1      ARG  66   5.120  -2.167  13.366
  588   2HH2  ARG  66          2HH1      ARG  66   5.198  -1.870  15.074
  589    H    LYS  67           H        LYS  67   9.005  -4.690   9.272
  590    HA   LYS  67           HA       LYS  67  11.287  -6.227  10.089
  591   1HB   LYS  67          2HB       LYS  67   8.813  -6.946   8.494
  592   2HB   LYS  67          1HB       LYS  67  10.017  -8.136   8.980
  593   1HG   LYS  67          2HG       LYS  67   9.637  -7.627  11.336
  594   2HG   LYS  67          1HG       LYS  67   8.529  -6.322  10.906
  595   1HD   LYS  67          2HD       LYS  67   7.086  -8.128  11.394
  596   2HD   LYS  67          1HD       LYS  67   7.198  -8.153   9.635
  597   1HE   LYS  67          2HE       LYS  67   8.786  -9.957   9.677
  598   2HE   LYS  67          1HE       LYS  67   8.992  -9.815  11.422
  599   1HZ   LYS  67          1HZ       LYS  67   6.969 -11.194   9.933
  600   2HZ   LYS  67          2HZ       LYS  67   6.310 -10.158  11.108
  601   3HZ   LYS  67          3HZ       LYS  67   7.418 -11.365  11.559
  602    H    LEU  68           H        LEU  68   9.878  -6.000   6.787
  603    HA   LEU  68           HA       LEU  68  12.206  -7.083   5.502
  604   1HB   LEU  68          2HB       LEU  68  10.009  -5.288   4.427
  605   2HB   LEU  68          1HB       LEU  68  11.224  -6.072   3.421
  606    HG   LEU  68           HG       LEU  68   9.263  -7.521   5.228
  607   1HD1  LEU  68          1HD1      LEU  68   8.334  -6.345   3.156
  608   2HD1  LEU  68          2HD1      LEU  68   8.063  -8.086   3.236
  609   3HD1  LEU  68          3HD1      LEU  68   9.337  -7.439   2.201
  610   1HD2  LEU  68          1HD2      LEU  68  11.053  -9.004   5.035
  611   2HD2  LEU  68          2HD2      LEU  68  11.541  -8.368   3.464
  612   3HD2  LEU  68          3HD2      LEU  68  10.132  -9.422   3.591
  613    H    CYS  69           H        CYS  69  11.116  -3.736   6.068
  614    HA   CYS  69           HA       CYS  69  13.222  -2.412   4.697
  615   1HB   CYS  69          2HB       CYS  69  11.156  -1.311   5.597
  616   2HB   CYS  69          1HB       CYS  69  11.826  -1.470   7.220
  617    HG   CYS  69           HG       CYS  69  13.192   0.250   4.983
  618    H    LYS  70           H        LYS  70  13.242  -4.193   7.643
  619    HA   LYS  70           HA       LYS  70  15.794  -2.961   8.528
  620   1HB   LYS  70          2HB       LYS  70  14.339  -3.357  10.359
  621   2HB   LYS  70          1HB       LYS  70  13.886  -4.950   9.761
  622   1HG   LYS  70          2HG       LYS  70  16.779  -4.527  10.315
  623   2HG   LYS  70          1HG       LYS  70  15.714  -4.583  11.719
  624   1HD   LYS  70          2HD       LYS  70  14.743  -6.728  10.736
  625   2HD   LYS  70          1HD       LYS  70  16.092  -6.708   9.599
  626   1HE   LYS  70          2HE       LYS  70  16.354  -6.696  12.623
  627   2HE   LYS  70          1HE       LYS  70  16.605  -8.100  11.586
  628   1HZ   LYS  70          1HZ       LYS  70  18.652  -7.427  11.151
  629   2HZ   LYS  70          2HZ       LYS  70  18.459  -6.164  12.272
  630   3HZ   LYS  70          3HZ       LYS  70  18.107  -5.909  10.630
  631    H    GLU  71           H        GLU  71  14.490  -5.941   7.176
  632    HA   GLU  71           HA       GLU  71  16.838  -7.559   7.550
  633   1HB   GLU  71          2HB       GLU  71  14.541  -7.732   5.590
  634   2HB   GLU  71          1HB       GLU  71  15.826  -8.936   5.672
  635   1HG   GLU  71          2HG       GLU  71  14.113  -8.133   8.036
  636   2HG   GLU  71          1HG       GLU  71  13.794  -9.535   7.016
  637    H    HIS  72           H        HIS  72  15.731  -5.555   4.809
  638    HA   HIS  72           HA       HIS  72  18.108  -6.257   3.240
  639   1HB   HIS  72          2HB       HIS  72  16.050  -4.107   2.682
  640   2HB   HIS  72          1HB       HIS  72  17.166  -4.837   1.530
  641    HD1  HIS  72           1HD      HIS  72  16.856  -7.622   1.397
  642    HD2  HIS  72           2HD      HIS  72  13.589  -5.365   2.676
  643    HE1  HIS  72           1HE      HIS  72  14.811  -9.091   1.109
  644    HE2  HIS  72           2HE      HIS  72  12.817  -7.727   1.883
  645    H    ASN  73           H        ASN  73  17.862  -4.447   5.885
  646    HA   ASN  73           HA       ASN  73  18.914  -2.487   6.691
  647   1HB   ASN  73          2HB       ASN  73  20.751  -4.217   6.336
  648   2HB   ASN  73          1HB       ASN  73  21.113  -3.382   4.819
  649   1HD2  ASN  73          1HD2      ASN  73  23.236  -2.692   5.717
  650   2HD2  ASN  73          2HD2      ASN  73  23.320  -1.427   6.856
  651    H    VAL  74           H        VAL  74  17.353  -2.184   4.116
  652    HA   VAL  74           HA       VAL  74  18.828  -0.363   2.429
  653    HB   VAL  74           HB       VAL  74  15.873  -0.891   2.794
  654   1HG1  VAL  74          1HG1      VAL  74  17.313   1.041   0.976
  655   2HG1  VAL  74          2HG1      VAL  74  15.941   1.358   2.036
  656   3HG1  VAL  74          3HG1      VAL  74  15.721   0.398   0.573
  657   1HG2  VAL  74          1HG2      VAL  74  17.605  -1.425   0.382
  658   2HG2  VAL  74          2HG2      VAL  74  16.062  -2.164   0.807
  659   3HG2  VAL  74          3HG2      VAL  74  17.518  -2.577   1.714
  660    H    ASP  75           H        ASP  75  16.350   0.164   4.961
  661    HA   ASP  75           HA       ASP  75  17.643   2.596   5.857
  662   1HB   ASP  75          2HB       ASP  75  15.230   2.777   4.065
  663   2HB   ASP  75          1HB       ASP  75  15.544   4.015   5.282
  664    H    GLU  76           H        GLU  76  15.560   3.873   7.118
  665    HA   GLU  76           HA       GLU  76  14.071   1.769   8.608
  666   1HB   GLU  76          2HB       GLU  76  16.181   2.268   9.853
  667   2HB   GLU  76          1HB       GLU  76  15.687   3.959   9.951
  668   1HG   GLU  76          2HG       GLU  76  15.028   2.899  12.017
  669   2HG   GLU  76          1HG       GLU  76  13.562   3.179  11.077
  670    H    ASN  77           H        ASN  77  14.377   5.011   9.824
  671    HA   ASN  77           HA       ASN  77  11.583   5.497   9.846
  672   1HB   ASN  77          2HB       ASN  77  12.239   7.896  10.234
  673   2HB   ASN  77          1HB       ASN  77  13.025   6.747  11.315
  674   1HD2  ASN  77          1HD2      ASN  77  13.588   9.172   8.893
  675   2HD2  ASN  77          2HD2      ASN  77  15.275   8.991   8.806
  676    H    ILE  78           H        ILE  78  14.036   6.450   7.440
  677    HA   ILE  78           HA       ILE  78  12.490   8.218   5.899
  678    HB   ILE  78           HB       ILE  78  14.352   6.124   4.748
  679   1HG1  ILE  78          2HG1      ILE  78  15.673   8.602   5.132
  680   2HG1  ILE  78          1HG1      ILE  78  14.874   8.222   6.658
  681   1HG2  ILE  78          1HG2      ILE  78  14.783   7.949   3.094
  682   2HG2  ILE  78          2HG2      ILE  78  13.527   8.910   3.877
  683   3HG2  ILE  78          3HG2      ILE  78  13.108   7.394   3.078
  684   1HD1  ILE  78          1HD1      ILE  78  17.125   7.233   6.599
  685   2HD1  ILE  78          2HD1      ILE  78  16.715   6.368   5.118
  686   3HD1  ILE  78          3HD1      ILE  78  15.896   5.970   6.628
  687    H    GLY  79           H        GLY  79  12.549   4.661   5.765
  688   1HA   GLY  79          2HA       GLY  79  10.772   4.390   3.547
  689   2HA   GLY  79          1HA       GLY  79  11.052   3.153   4.773
  690    H    ILE  80           H        ILE  80  10.080   4.276   7.061
  691    HA   ILE  80           HA       ILE  80   7.252   3.968   6.775
  692    HB   ILE  80           HB       ILE  80   8.995   5.046   8.985
  693   1HG1  ILE  80          2HG1      ILE  80   7.962   2.967  10.095
  694   2HG1  ILE  80          1HG1      ILE  80   7.390   2.533   8.484
  695   1HG2  ILE  80          1HG2      ILE  80   5.994   4.995   8.758
  696   2HG2  ILE  80          2HG2      ILE  80   7.033   6.281   9.374
  697   3HG2  ILE  80          3HG2      ILE  80   6.773   4.821  10.330
  698   1HD1  ILE  80          1HD1      ILE  80  10.291   3.169   9.069
  699   2HD1  ILE  80          2HD1      ILE  80   9.623   2.413   7.622
  700   3HD1  ILE  80          3HD1      ILE  80   9.638   1.533   9.151
  701    H    LYS  81           H        LYS  81   9.296   6.864   6.910
  702    HA   LYS  81           HA       LYS  81   7.232   8.802   7.206
  703   1HB   LYS  81          2HB       LYS  81   9.664   9.292   7.384
  704   2HB   LYS  81          1HB       LYS  81   9.809   9.084   5.639
  705   1HG   LYS  81          2HG       LYS  81   8.219  10.934   5.282
  706   2HG   LYS  81          1HG       LYS  81   8.045  11.124   7.026
  707   1HD   LYS  81          2HD       LYS  81  10.446  11.648   7.216
  708   2HD   LYS  81          1HD       LYS  81  10.627  11.467   5.471
  709   1HE   LYS  81          2HE       LYS  81   9.018  13.310   5.111
  710   2HE   LYS  81          1HE       LYS  81   8.838  13.490   6.857
  711   1HZ   LYS  81          1HZ       LYS  81  10.748  14.601   7.006
  712   2HZ   LYS  81          2HZ       LYS  81  10.667  14.776   5.318
  713   3HZ   LYS  81          3HZ       LYS  81  11.576  13.514   6.002
  714    H    ILE  82           H        ILE  82   8.564   7.290   4.265
  715    HA   ILE  82           HA       ILE  82   6.834   8.906   2.525
  716    HB   ILE  82           HB       ILE  82   9.062   8.273   1.761
  717   1HG1  ILE  82          2HG1      ILE  82   7.035   6.660   0.193
  718   2HG1  ILE  82          1HG1      ILE  82   7.080   8.423   0.156
  719   1HG2  ILE  82          1HG2      ILE  82   8.041   5.421   1.969
  720   2HG2  ILE  82          2HG2      ILE  82   9.228   6.158   3.044
  721   3HG2  ILE  82          3HG2      ILE  82   9.614   5.910   1.342
  722   1HD1  ILE  82          1HD1      ILE  82   9.309   8.427  -0.749
  723   2HD1  ILE  82          2HD1      ILE  82   8.370   7.286  -1.712
  724   3HD1  ILE  82          3HD1      ILE  82   9.483   6.693  -0.479
  725    H    PHE  83           H        PHE  83   6.910   5.573   3.744
  726    HA   PHE  83           HA       PHE  83   4.919   4.448   2.080
  727   1HB   PHE  83          2HB       PHE  83   6.096   3.855   4.720
  728   2HB   PHE  83          1HB       PHE  83   4.465   3.225   4.493
  729    HD1  PHE  83           1HD      PHE  83   4.062   2.142   2.061
  730    HD2  PHE  83           2HD      PHE  83   7.867   2.511   4.021
  731    HE1  PHE  83           1HE      PHE  83   4.966   0.314   0.650
  732    HE2  PHE  83           2HE      PHE  83   8.770   0.682   2.610
  733    HZ   PHE  83           HZ       PHE  83   7.319  -0.416   0.924
  734    H    GLN  84           H        GLN  84   4.570   6.286   5.108
  735    HA   GLN  84           HA       GLN  84   1.757   6.049   5.404
  736   1HB   GLN  84          2HB       GLN  84   3.327   7.033   7.090
  737   2HB   GLN  84          1HB       GLN  84   3.488   8.454   6.062
  738   1HG   GLN  84          2HG       GLN  84   1.090   8.909   6.261
  739   2HG   GLN  84          1HG       GLN  84   0.872   7.441   7.218
  740   1HE2  GLN  84          1HE2      GLN  84   0.834   7.850   9.434
  741   2HE2  GLN  84          2HE2      GLN  84   1.655   9.123  10.208
  742    H    ARG  85           H        ARG  85   3.692   8.444   3.604
  743    HA   ARG  85           HA       ARG  85   1.637  10.106   2.665
  744   1HB   ARG  85          2HB       ARG  85   4.083   9.149   1.135
  745   2HB   ARG  85          1HB       ARG  85   3.106  10.549   0.710
  746   1HG   ARG  85          2HG       ARG  85   4.567  10.220   3.359
  747   2HG   ARG  85          1HG       ARG  85   5.192  11.142   1.987
  748   1HD   ARG  85          2HD       ARG  85   2.858  12.373   2.140
  749   2HD   ARG  85          1HD       ARG  85   2.825  11.717   3.755
  750    HE   ARG  85           HE       ARG  85   5.353  12.973   3.402
  751   1HH1  ARG  85          1HH2      ARG  85   1.976  13.707   3.436
  752   2HH1  ARG  85          2HH2      ARG  85   2.197  15.380   3.834
  753   1HH2  ARG  85          1HH1      ARG  85   5.649  15.194   3.987
  754   2HH2  ARG  85          2HH1      ARG  85   4.257  16.211   4.137
  755    H    LEU  86           H        LEU  86   2.714   6.955   1.405
  756    HA   LEU  86           HA       LEU  86   0.986   6.888  -0.882
  757   1HB   LEU  86          2HB       LEU  86   2.133   4.628   0.783
  758   2HB   LEU  86          1HB       LEU  86   1.349   4.416  -0.780
  759    HG   LEU  86           HG       LEU  86   3.785   6.153  -0.305
  760   1HD1  LEU  86          1HD1      LEU  86   3.691   3.485  -1.725
  761   2HD1  LEU  86          2HD1      LEU  86   4.097   3.631  -0.014
  762   3HD1  LEU  86          3HD1      LEU  86   5.113   4.404  -1.230
  763   1HD2  LEU  86          1HD2      LEU  86   2.810   7.004  -2.232
  764   2HD2  LEU  86          2HD2      LEU  86   2.085   5.458  -2.675
  765   3HD2  LEU  86          3HD2      LEU  86   3.812   5.726  -2.919
  766    H    ILE  87           H        ILE  87   0.549   5.788   2.476
  767    HA   ILE  87           HA       ILE  87  -2.004   4.545   2.078
  768    HB   ILE  87           HB       ILE  87  -0.974   5.887   4.594
  769   1HG1  ILE  87          2HG1      ILE  87   0.698   4.315   3.754
  770   2HG1  ILE  87          1HG1      ILE  87  -0.108   3.614   5.156
  771   1HG2  ILE  87          1HG2      ILE  87  -3.281   5.326   4.849
  772   2HG2  ILE  87          2HG2      ILE  87  -2.380   4.030   5.637
  773   3HG2  ILE  87          3HG2      ILE  87  -3.066   3.777   4.032
  774   1HD1  ILE  87          1HD1      ILE  87  -0.389   2.888   2.253
  775   2HD1  ILE  87          2HD1      ILE  87  -1.726   2.580   3.361
  776   3HD1  ILE  87          3HD1      ILE  87  -0.155   1.830   3.644
  777    H    GLU  88           H        GLU  88  -1.085   7.865   2.974
  778    HA   GLU  88           HA       GLU  88  -3.644   8.908   3.543
  779   1HB   GLU  88          2HB       GLU  88  -1.477  10.134   3.809
  780   2HB   GLU  88          1HB       GLU  88  -1.406  10.320   2.057
  781   1HG   GLU  88          2HG       GLU  88  -2.347  12.351   2.980
  782   2HG   GLU  88          1HG       GLU  88  -3.645  11.474   2.169
  783    H    HIS  89           H        HIS  89  -1.954   8.827   0.391
  784    HA   HIS  89           HA       HIS  89  -4.181   9.878  -1.091
  785   1HB   HIS  89          2HB       HIS  89  -2.775   9.740  -2.882
  786   2HB   HIS  89          1HB       HIS  89  -1.557   9.444  -1.646
  787    HD1  HIS  89           1HD      HIS  89  -0.596   7.065  -1.454
  788    HD2  HIS  89           2HD      HIS  89  -3.578   7.409  -4.351
  789    HE1  HIS  89           1HE      HIS  89  -0.493   4.948  -2.844
  790    HE2  HIS  89           2HE      HIS  89  -2.303   5.149  -4.610
  791    H    ASN  90           H        ASN  90  -3.452   6.751   0.167
  792    HA   ASN  90           HA       ASN  90  -5.041   5.165  -1.649
  793   1HB   ASN  90          2HB       ASN  90  -3.276   4.384   0.079
  794   2HB   ASN  90          1HB       ASN  90  -4.568   4.526   1.270
  795   1HD2  ASN  90          1HD2      ASN  90  -6.681   3.295   0.609
  796   2HD2  ASN  90          2HD2      ASN  90  -6.475   1.798  -0.164
  797    H    LYS  91           H        LYS  91  -5.699   6.665   1.525
  798    HA   LYS  91           HA       LYS  91  -8.510   5.859   1.498
  799   1HB   LYS  91          2HB       LYS  91  -8.616   7.453   3.494
  800   2HB   LYS  91          1HB       LYS  91  -7.489   6.108   3.661
  801   1HG   LYS  91          2HG       LYS  91  -5.642   7.609   2.897
  802   2HG   LYS  91          1HG       LYS  91  -6.788   8.950   2.863
  803   1HD   LYS  91          2HD       LYS  91  -6.176   7.285   5.326
  804   2HD   LYS  91          1HD       LYS  91  -5.462   8.861   4.986
  805   1HE   LYS  91          2HE       LYS  91  -7.917   9.682   4.758
  806   2HE   LYS  91          1HE       LYS  91  -8.336   8.194   5.607
  807   1HZ   LYS  91          1HZ       LYS  91  -7.248  10.597   6.647
  808   2HZ   LYS  91          2HZ       LYS  91  -6.217   9.290   6.994
  809   3HZ   LYS  91          3HZ       LYS  91  -7.844   9.245   7.481
  810    H    ALA  92           H        ALA  92  -6.688   8.857   0.993
  811    HA   ALA  92           HA       ALA  92  -8.705  10.730   0.681
  812   1HB   ALA  92          1HB       ALA  92  -6.188  11.065   0.414
  813   2HB   ALA  92          2HB       ALA  92  -7.218  11.991  -0.678
  814   3HB   ALA  92          3HB       ALA  92  -6.401  10.539  -1.257
  815    H    LEU  93           H        LEU  93  -7.424   8.730  -2.021
  816    HA   LEU  93           HA       LEU  93  -9.548   9.667  -3.769
  817   1HB   LEU  93          2HB       LEU  93  -8.345   8.733  -5.459
  818   2HB   LEU  93          1HB       LEU  93  -7.070   8.747  -4.252
  819    HG   LEU  93           HG       LEU  93  -7.069   6.579  -5.258
  820   1HD1  LEU  93          1HD1      LEU  93  -7.646   6.957  -2.499
  821   2HD1  LEU  93          2HD1      LEU  93  -6.735   5.652  -3.259
  822   3HD1  LEU  93          3HD1      LEU  93  -8.475   5.493  -3.028
  823   1HD2  LEU  93          1HD2      LEU  93  -9.791   7.037  -5.627
  824   2HD2  LEU  93          2HD2      LEU  93  -9.733   5.684  -4.497
  825   3HD2  LEU  93          3HD2      LEU  93  -8.916   5.566  -6.055
  826    H    GLN  94           H        GLN  94  -9.197   7.000  -1.582
  827    HA   GLN  94           HA       GLN  94 -11.177   5.249  -2.717
  828   1HB   GLN  94          2HB       GLN  94  -9.700   5.518  -0.202
  829   2HB   GLN  94          1HB       GLN  94 -11.346   4.933   0.041
  830   1HG   GLN  94          2HG       GLN  94 -10.969   3.183  -1.674
  831   2HG   GLN  94          1HG       GLN  94  -9.301   3.735  -1.860
  832   1HE2  GLN  94          1HE2      GLN  94  -7.897   3.587   0.135
  833   2HE2  GLN  94          2HE2      GLN  94  -8.225   2.354   1.270
  834    H    LYS  95           H        LYS  95 -11.376   7.759  -0.181
  835    HA   LYS  95           HA       LYS  95 -14.209   7.573   0.202
  836   1HB   LYS  95          2HB       LYS  95 -12.278   9.868   0.684
  837   2HB   LYS  95          1HB       LYS  95 -13.956   9.865   1.220
  838   1HG   LYS  95          2HG       LYS  95 -13.519   7.824   2.556
  839   2HG   LYS  95          1HG       LYS  95 -11.832   7.857   2.040
  840   1HD   LYS  95          2HD       LYS  95 -11.549  10.078   3.073
  841   2HD   LYS  95          1HD       LYS  95 -13.239  10.067   3.574
  842   1HE   LYS  95          2HE       LYS  95 -12.823   8.069   4.958
  843   2HE   LYS  95          1HE       LYS  95 -11.133   8.066   4.453
  844   1HZ   LYS  95          1HZ       LYS  95 -10.856  10.244   5.447
  845   2HZ   LYS  95          2HZ       LYS  95 -11.432   9.142   6.605
  846   3HZ   LYS  95          3HZ       LYS  95 -12.489  10.275   5.908
  847    H    GLN  96           H        GLN  96 -12.218   9.669  -1.888
  848    HA   GLN  96           HA       GLN  96 -14.394  11.234  -2.900
  849   1HB   GLN  96          2HB       GLN  96 -11.672  10.565  -4.051
  850   2HB   GLN  96          1HB       GLN  96 -12.788  11.699  -4.811
  851   1HG   GLN  96          2HG       GLN  96 -12.806  13.065  -2.751
  852   2HG   GLN  96          1HG       GLN  96 -11.687  11.931  -1.994
  853   1HE2  GLN  96          1HE2      GLN  96 -11.782  13.518  -5.245
  854   2HE2  GLN  96          2HE2      GLN  96 -10.185  14.089  -5.167
  855    H    TYR  97           H        TYR  97 -12.882   8.229  -4.029
  856    HA   TYR  97           HA       TYR  97 -14.328   7.981  -6.479
  857   1HB   TYR  97          2HB       TYR  97 -12.409   6.586  -6.140
  858   2HB   TYR  97          1HB       TYR  97 -13.060   5.947  -4.632
  859    HD1  TYR  97           1HD      TYR  97 -14.464   4.033  -4.624
  860    HD2  TYR  97           2HD      TYR  97 -13.651   6.077  -8.314
  861    HE1  TYR  97           1HE      TYR  97 -15.589   2.213  -5.879
  862    HE2  TYR  97           2HE      TYR  97 -14.774   4.256  -9.569
  863    HH   TYR  97           HH       TYR  97 -15.899   2.352  -9.430
  864    H    LEU  98           H        LEU  98 -14.970   6.505  -3.277
  865    HA   LEU  98           HA       LEU  98 -17.408   5.228  -4.015
  866   1HB   LEU  98          2HB       LEU  98 -16.433   6.264  -1.341
  867   2HB   LEU  98          1HB       LEU  98 -17.912   5.327  -1.530
  868    HG   LEU  98           HG       LEU  98 -15.160   4.375  -2.389
  869   1HD1  LEU  98          1HD1      LEU  98 -15.087   4.422  -0.025
  870   2HD1  LEU  98          2HD1      LEU  98 -15.601   2.775  -0.393
  871   3HD1  LEU  98          3HD1      LEU  98 -16.787   3.974   0.121
  872   1HD2  LEU  98          1HD2      LEU  98 -16.642   3.107  -3.663
  873   2HD2  LEU  98          2HD2      LEU  98 -17.937   3.236  -2.473
  874   3HD2  LEU  98          3HD2      LEU  98 -16.583   2.142  -2.188
  875    H    GLU  99           H        GLU  99 -16.777   8.474  -2.696
  876    HA   GLU  99           HA       GLU  99 -19.529   9.259  -2.439
  877   1HB   GLU  99          2HB       GLU  99 -16.979  10.851  -2.787
  878   2HB   GLU  99          1HB       GLU  99 -18.555  11.607  -2.547
  879   1HG   GLU  99          2HG       GLU  99 -18.828  10.453  -0.410
  880   2HG   GLU  99          1HG       GLU  99 -17.311   9.586  -0.660
  881    H    GLU 100           H        GLU 100 -17.202   9.504  -5.103
  882    HA   GLU 100           HA       GLU 100 -18.955  11.083  -6.780
  883   1HB   GLU 100          2HB       GLU 100 -17.201  11.148  -8.227
  884   2HB   GLU 100          1HB       GLU 100 -16.309  10.547  -6.833
  885   1HG   GLU 100          2HG       GLU 100 -15.689   9.035  -8.505
  886   2HG   GLU 100          1HG       GLU 100 -17.017   8.185  -7.714
  887    H    THR 101           H        THR 101 -18.775   7.715  -6.052
  888    HA   THR 101           HA       THR 101 -20.165   6.900  -8.519
  889    HB   THR 101           HB       THR 101 -20.322   4.683  -7.214
  890    HG1  THR 101           1HG      THR 101 -19.594   6.229  -5.282
  891   1HG2  THR 101          1HG2      THR 101 -18.659   5.102  -8.973
  892   2HG2  THR 101          2HG2      THR 101 -17.940   4.180  -7.652
  893   3HG2  THR 101          3HG2      THR 101 -17.611   5.906  -7.804
  894    H    LEU 102           H        LEU 102 -20.929   7.787  -5.221
  895    HA   LEU 102           HA       LEU 102 -23.664   6.752  -5.318
  896   1HB   LEU 102          2HB       LEU 102 -22.317   8.700  -3.417
  897   2HB   LEU 102          1HB       LEU 102 -23.946   8.061  -3.202
  898    HG   LEU 102           HG       LEU 102 -21.474   6.323  -3.445
  899   1HD1  LEU 102          1HD1      LEU 102 -21.544   6.070  -1.049
  900   2HD1  LEU 102          2HD1      LEU 102 -23.036   7.004  -0.938
  901   3HD1  LEU 102          3HD1      LEU 102 -21.527   7.800  -1.387
  902   1HD2  LEU 102          1HD2      LEU 102 -23.304   4.976  -4.006
  903   2HD2  LEU 102          2HD2      LEU 102 -24.405   5.856  -2.946
  904   3HD2  LEU 102          3HD2      LEU 102 -23.219   4.746  -2.260
  905    H    GLU 103           H        GLU 103 -22.028   9.698  -6.203
  906    HA   GLU 103           HA       GLU 103 -24.563  11.210  -6.480
  907   1HB   GLU 103          2HB       GLU 103 -21.660  11.916  -7.010
  908   2HB   GLU 103          1HB       GLU 103 -23.003  13.024  -7.282
  909   1HG   GLU 103          2HG       GLU 103 -23.613  12.907  -4.913
  910   2HG   GLU 103          1HG       GLU 103 -22.322  11.737  -4.621
  911    H    HIS 104           H        HIS 104 -25.647  11.217  -8.343
  912    HA   HIS 104           HA       HIS 104 -24.445  11.346 -10.956
  913   1HB   HIS 104          2HB       HIS 104 -25.244   9.119 -11.789
  914   2HB   HIS 104          1HB       HIS 104 -23.969   8.954 -10.583
  915    HD1  HIS 104           1HD      HIS 104 -24.636   8.009  -8.248
  916    HD2  HIS 104           2HD      HIS 104 -27.832   8.248 -10.921
  917    HE1  HIS 104           1HE      HIS 104 -26.502   6.601  -7.265
  918    HE2  HIS 104           2HE      HIS 104 -28.449   6.738  -8.883
  919    H2   TSA 501           1H2      TSA 501  -4.184  -0.513   4.673
  920    H3   TSA 501           1H3      TSA 501  -6.398  -0.660   5.793
  921    H4   TSA 501           4H       TSA 501  -8.361   0.402   4.730
  922    HO5  TSA 501           HO5      TSA 501  -7.133   1.599   6.369
  923    H5   TSA 501           5H       TSA 501  -7.901   2.448   3.152
  924   1H6   TSA 501          1H6       TSA 501  -5.723   2.358   1.907
  925   2H6   TSA 501          2H6       TSA 501  -5.376   2.550   3.567
  926    H8   TSA 501           8H       TSA 501  -7.475  -0.698   0.686
  927   1H9   TSA 501          1H9       TSA 501  -5.126  -1.283   1.669
  928   2H9   TSA 501          2H9       TSA 501  -5.270   0.063   0.702