*HEADER    MEMBRANE PROTEIN                        08-MAR-05   1Z2Q              
*TITLE     HIGH-RESOLUTION SOLUTION STRUCTURE OF THE LM5-1 FYVE DOMAIN           
*TITLE    2 FROM LEISHMANIA MAJOR                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: LM5-1;                                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: FYVE DOMAIN;                                               
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: LEISHMANIA MAJOR;                               
*SOURCE   3 ORGANISM_TAXID: 5664;                                                
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
*SOURCE   5 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PGEX-6P-3                                 
*KEYWDS    MEMBRANE PROTEIN, FYVE DOMAIN, ZINC-FINGER                            
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    21                                                                    
*AUTHOR    H.D.T.MERTENS, J.M.CALLAGHAN, M.J.MCCONVILLE, P.R.GOOLEY              
*REVDAT   1   07-APR-09 1Z2Q    0                                  


!! Distance constraints
assign (resid   8 and name   HA)   (resid  10 and name  HB1)   2.550    0.750    0.750  
assign (resid   8 and name   HA)   (resid  10 and name   HN)   2.350    0.550    0.550  
assign (resid  14 and name   HA)   (resid  15 and name   HN)   2.350    0.550    0.550  
assign (resid  14 and name  HB1)   (resid  15 and name   HN)   3.000    1.200    1.200  
assign (resid  14 and name  HB1)   (resid  16 and name   HN)   3.900    2.100    2.100  
assign (resid  14 and name  HB2)   (resid  15 and name   HN)   3.000    1.200    1.200  
assign (resid  14 and name  HD#)   (resid  15 and name   HN)   3.900    2.100    2.100  
assign (resid  14 and name  HD#)   (resid  16 and name  HB2)   3.900    2.100    2.100  
assign (resid  14 and name  HD#)   (resid  44 and name  HA*)   3.900    2.100    2.100  
assign (resid  14 and name  HD#)   (resid  45 and name  HD#)   3.900    2.100    2.100  
assign (resid  14 and name  HD#)   (resid  45 and name  HE#)   3.900    2.100    2.100  
assign (resid  14 and name  HE#)   (resid  16 and name  HB1)   3.900    2.100    2.100  
assign (resid  14 and name  HE#)   (resid  16 and name  HB2)   3.900    2.100    2.100  
assign (resid  14 and name  HE#)   (resid  16 and name  HG#)   3.900    2.100    2.100  
assign (resid  15 and name   HA)   (resid  16 and name   HN)   2.350    0.550    0.550  
assign (resid  15 and name   HA)   (resid  44 and name  HA*)   3.000    1.200    1.200  
assign (resid  15 and name  HB2)   (resid  16 and name   HN)   2.650    0.850    0.850  
assign (resid  15 and name   HN)   (resid  16 and name   HN)   3.400    1.600    1.600  
assign (resid  16 and name   HA)   (resid  17 and name   HN)   2.350    0.550    0.550  
assign (resid  16 and name  HB1)   (resid  17 and name   HN)   3.400    1.600    1.600  
assign (resid  16 and name  HB1)   (resid  45 and name   HA)   3.000    1.200    1.200  
assign (resid  16 and name  HB1)   (resid  46 and name   HN)   3.900    2.100    2.100  
assign (resid  16 and name  HB1)   (resid  46 and name HG1#)   3.900    2.100    2.100  
assign (resid  16 and name  HB1)   (resid  46 and name HG2#)   2.550    0.750    0.750  
assign (resid  16 and name  HB2)   (resid  45 and name   HA)   2.550    0.750    0.750  
assign (resid  16 and name  HB2)   (resid  46 and name HG2#)   3.400    1.600    1.600  
assign (resid  16 and name HE21)   (resid  46 and name   HN)   3.900    2.100    2.100  
assign (resid  16 and name  HG#)   (resid  17 and name   HN)   3.400    1.600    1.600  
assign (resid  16 and name  HG#)   (resid  20 and name  HB1)   3.400    1.600    1.600  
assign (resid  16 and name  HG#)   (resid  20 and name  HB2)   3.000    1.200    1.200  
assign (resid  16 and name  HG#)   (resid  21 and name  HB#)   3.400    1.600    1.600  
assign (resid  16 and name  HG#)   (resid  46 and name HG1#)   3.900    2.100    2.100  
assign (resid  16 and name  HG#)   (resid  46 and name HG2#)   3.000    1.200    1.200  
assign (resid  17 and name   HA)   (resid  18 and name   HN)   2.350    0.550    0.550  
assign (resid  17 and name   HA)   (resid  46 and name HG2#)   3.000    1.200    1.200  
assign (resid  17 and name  HB1)   (resid  18 and name   HN)   3.000    1.200    1.200  
assign (resid  17 and name  HB2)   (resid  18 and name   HN)   3.400    1.600    1.600  
assign (resid  17 and name  HB2)   (resid  20 and name   HN)   3.400    1.600    1.600  
assign (resid  17 and name  HG#)   (resid  18 and name   HN)   3.000    1.200    1.200  
assign (resid  18 and name   HA)   (resid  19 and name   HN)   2.650    0.850    0.850  
assign (resid  18 and name   HA)   (resid  21 and name  HB#)   3.000    1.200    1.200  
assign (resid  18 and name  HB2)   (resid  19 and name   HN)   2.650    0.850    0.850  
assign (resid  18 and name  HB1)   (resid  19 and name   HN)   3.000    1.200    1.200  
assign (resid  19 and name   HA)   (resid  20 and name   HN)   2.650    0.850    0.850  
assign (resid  19 and name   HA)   (resid  21 and name   HN)   3.900    2.100    2.100  
assign (resid  19 and name  HB1)   (resid  20 and name   HN)   2.650    0.850    0.850  
assign (resid  19 and name  HB2)   (resid  20 and name   HN)   2.650    0.850    0.850  
assign (resid  19 and name   HN)   (resid  20 and name   HN)   2.650    0.850    0.850  
assign (resid  19 and name  HG#)   (resid  20 and name   HN)   3.900    2.100    2.100  
!!!assign (resid  20 and name   HA)   (resid  21 and name   HN)   2.350    0.550    0.550  
assign (resid  20 and name  HB1)   (resid  21 and name   HN)   3.000    1.200    1.200  
assign (resid  20 and name  HB2)   (resid  21 and name   HN)   3.400    1.600    1.600  
assign (resid  20 and name   HN)   (resid  21 and name   HN)   2.350    0.550    0.550  
assign (resid  21 and name   HA)   (resid  23 and name   HN)   3.000    1.200    1.200  
assign (resid  21 and name   HN)   (resid  46 and name HG2#)   3.900    2.100    2.100  
assign (resid  21 and name  HB#)   (resid  23 and name   HN)   3.000    1.200    1.200  
assign (resid  21 and name  HB#)   (resid  31 and name  HE#)   3.900    2.100    2.100  
assign (resid  21 and name  HB#)   (resid  46 and name   HA)   3.900    2.100    2.100  
assign (resid  21 and name  HB#)   (resid  46 and name   HB)   2.250    0.450    0.450  
assign (resid  21 and name  HB#)   (resid  46 and name   HN)   3.400    1.600    1.600  
assign (resid  21 and name  HB#)   (resid  46 and name HG1#)   3.000    1.200    1.200  
assign (resid  21 and name  HB#)   (resid  46 and name HG2#)   3.000    1.200    1.200  
assign (resid  22 and name   HA)   (resid  23 and name   HN)   2.650    0.850    0.850  
assign (resid  22 and name   HA)   (resid  31 and name  HD#)   3.900    2.100    2.100  
assign (resid  22 and name  HB1)   (resid  23 and name   HN)   3.000    1.200    1.200  
assign (resid  22 and name  HD2)   (resid  23 and name   HN)   3.000    1.200    1.200  
assign (resid  22 and name  HD1)   (resid  23 and name   HN)   3.900    2.100    2.100  
assign (resid  22 and name  HG#)   (resid  23 and name   HN)   3.000    1.200    1.200  
assign (resid  23 and name   HA)   (resid  24 and name   HN)   2.350    0.550    0.550  
assign (resid  23 and name   HA)   (resid  30 and name   HA)   2.250    0.450    0.450  
assign (resid  23 and name   HA)   (resid  30 and name   HB)   3.900    2.100    2.100  
assign (resid  23 and name   HA)   (resid  30 and name  HG#)   2.550    0.750    0.750  
assign (resid  23 and name   HA)   (resid  31 and name   HN)   2.650    0.850    0.850  
assign (resid  23 and name   HA)   (resid  31 and name  HD#)   3.900    2.100    2.100  
assign (resid  24 and name   HN)   (resid  23 and name   HN)   3.400    1.600    1.600 ! Orig
!!!assign (resid  24 and name   HN)   (resid  31 and name   HN)   3.400    1.600    1.600 ! Alt-1 
assign (resid  23 and name   HN)   (resid  31 and name  HD#)   3.900    2.100    2.100  
assign (resid  23 and name  HB#)   (resid  24 and name   HN)   2.350    0.550    0.550  
assign (resid  23 and name  HB#)   (resid  28 and name  HA*)   2.550    0.750    0.750  
!!!assign (resid  23 and name  HB#)   (resid  28 and name  HA*)   2.550    0.750    0.750 ! SAME as above 
!!!assign (resid  23 and name  HB#)   (resid  28 and name   HN)   3.000    1.200    1.200  
assign (resid  23 and name  HB#)   (resid  29 and name   HN)   3.900    2.100    2.100  
assign (resid  23 and name  HB#)   (resid  30 and name   HA)   2.250    0.450    0.450  
assign (resid  23 and name  HB#)   (resid  30 and name   HN)   3.400    1.600    1.600  
assign (resid  24 and name   HA)   (resid  25 and name   HN)   2.350    0.550    0.550  
!!!assign (resid  24 and name   HA)   (resid  26 and name   HN)   2.650    0.850    0.850 ! tight 
assign (resid  24 and name   HA)   (resid  31 and name   HZ)   2.550    0.750    0.750  
assign (resid  24 and name   HA)   (resid  31 and name  HE#)   3.400    1.600    1.600  
assign (resid  24 and name   HA)   (resid  46 and name HG1#)   3.400    1.600    1.600  
assign (resid  24 and name   HA)   (resid  47 and name   HA)   2.550    0.750    0.750  
assign (resid  24 and name   HA)   (resid  47 and name HD1#)   3.900    2.100    2.100  
assign (resid  24 and name   HA)   (resid  47 and name HD2#)   3.400    1.600    1.600  
assign (resid  24 and name  HB1)   (resid  26 and name   HN)   3.000    1.200    1.200  
assign (resid  24 and name  HB1)   (resid  27 and name   HN)   2.650    0.850    0.850  
assign (resid  24 and name  HB1)   (resid  28 and name  HA*)   3.000    1.200    1.200  
assign (resid  24 and name  HB1)   (resid  28 and name   HN)   3.000    1.200    1.200  
assign (resid  24 and name  HB1)   (resid  29 and name   HN)   2.650    0.850    0.850  
assign (resid  24 and name  HB2)   (resid  26 and name   HN)   3.400    1.600    1.600  
assign (resid  24 and name  HB2)   (resid  28 and name   HN)   3.000    1.200    1.200  
assign (resid  24 and name  HB2)   (resid  29 and name   HN)   3.000    1.200    1.200  
assign (resid  24 and name   HN)   (resid  29 and name   HN)   3.000    1.200    1.200  
!!!assign (resid  24 and name   HN)   (resid  30 and name   HA)   2.650    0.850    0.850 ! tight 
assign (resid  25 and name  HB2)   (resid  26 and name   HN)   3.000    1.200    1.200  
assign (resid  25 and name  HB2)   (resid  47 and name HD1#)   3.400    1.600    1.600  
assign (resid  25 and name  HB2)   (resid  47 and name HD2#)   2.550    0.750    0.750  
assign (resid  25 and name  HB1)   (resid  47 and name HD1#)   3.000    1.200    1.200  
assign (resid  25 and name  HB1)   (resid  47 and name HD2#)   3.000    1.200    1.200  
assign (resid  25 and name   HN)   (resid  26 and name   HN)   3.000    1.200    1.200  
assign (resid  25 and name   HN)   (resid  47 and name   HA)   3.000    1.200    1.200  
assign (resid  25 and name   HN)   (resid  47 and name HD1#)   2.650    0.850    0.850  
assign (resid  25 and name   HN)   (resid  47 and name HD2#)   3.900    2.100    2.100  
assign (resid  26 and name  HA*)   (resid  27 and name   HN)   2.350    0.550    0.550 ! In-temp 
assign (resid  26 and name  HA*)   (resid  47 and name HD1#)   3.000    1.200    1.200  
!!!assign (resid  26 and name  HA*)   (resid  47 and name HD2#)   3.400    1.600    1.600 ! Out-temp, olap, tight 
assign (resid  26 and name  HA*)   (resid  27 and name   HN)   2.650    0.850    0.850 ! In-temp 
assign (resid  26 and name  HA*)   (resid  47 and name HD1#)   3.000    1.200    1.200  
!!!assign (resid  26 and name  HA*)   (resid  47 and name HD2#)   3.000    1.200    1.200 ! Out-temp, as above 
assign (resid  26 and name   HN)   (resid  27 and name   HN)   2.350    0.550    0.550  
assign (resid  26 and name   HN)   (resid  28 and name   HN)   3.000    1.200    1.200 ! In-temp 
!!!assign (resid  26 and name   HN)   (resid  47 and name HD1#)   2.350    0.550    0.550 ! tight 
assign (resid  26 and name   HN)   (resid  47 and name HD2#)   3.000    1.200    1.200  
assign (resid  27 and name   HA)   (resid  28 and name   HN)   3.000    1.200    1.200  
!!!assign (resid  27 and name  HB2)   (resid  28 and name   HN)   3.000    1.200    1.200 ! BAD-out 
!!!assign (resid  27 and name  HB1)   (resid  28 and name   HN)   3.900    2.100    2.100 ! BAD-out 
!!!assign (resid  27 and name   HN)   (resid  28 and name   HN)   2.350    0.550    0.550  
assign (resid  27 and name   HN)   (resid  29 and name   HN)   3.000    1.200    1.200  
!!!assign (resid  27 and name   HN)   (resid  47 and name HD2#)   3.900    2.100    2.100 ! Out-temp 
assign (resid  28 and name  HA*)   (resid  29 and name   HN)   2.650    0.850    0.850  
assign (resid  28 and name  HA*)   (resid  29 and name   HN)   2.650    0.850    0.850  
assign (resid  28 and name   HN)   (resid  29 and name   HN)   2.650    0.850    0.850  
assign (resid  29 and name   HA)   (resid  30 and name   HN)   2.350    0.550    0.550  
assign (resid  29 and name  HB2)   (resid  30 and name   HN)   2.350    0.550    0.550  
!!!assign (resid  29 and name  HB1)   (resid  30 and name   HN)   2.650    0.850    0.850 ! Out-temp 
assign (resid  29 and name   HN)   (resid  30 and name   HN)   3.400    1.600    1.600  
assign (resid  30 and name   HA)   (resid  31 and name   HN)   2.350    0.550    0.550  
assign (resid  30 and name   HB)   (resid  31 and name   HN)   2.650    0.850    0.850  
assign (resid  30 and name   HB)   (resid  32 and name HG2#)   3.900    2.100    2.100  
assign (resid  30 and name   HN)   (resid  31 and name   HN)   3.400    1.600    1.600  
!!!assign (resid  31 and name   HN)   (resid  35 and name HG2#)   2.350    0.550    0.550 ! Alt-1 
!!!assign (resid  31 and name   HN)   (resid  23 and name  HB#)   2.350    0.550    0.550 !  Alt-2
assign (resid  31 and name   HN)   (resid  30 and name  HG#)   2.350    0.550    0.550 ! Orig  
assign (resid  30 and name  HG#)   (resid  32 and name   HA)   3.900    2.100    2.100  
assign (resid  30 and name  HG#)   (resid  32 and name HG2#)   2.550    0.750    0.750  
assign (resid  31 and name   HA)   (resid  32 and name   HN)   2.350    0.550    0.550  
assign (resid  31 and name   HA)   (resid  35 and name   HB)   2.550    0.750    0.750  
assign (resid  31 and name   HA)   (resid  35 and name HG1#)   3.000    1.200    1.200  
assign (resid  31 and name   HA)   (resid  35 and name HG2#)   3.000    1.200    1.200  
assign (resid  31 and name  HB1)   (resid  32 and name   HN)   2.650    0.850    0.850  
assign (resid  31 and name  HB1)   (resid  35 and name HG1#)   3.900    2.100    2.100  
assign (resid  31 and name  HB1)   (resid  35 and name HG2#)   3.400    1.600    1.600  
assign (resid  31 and name  HB2)   (resid  32 and name   HN)   3.000    1.200    1.200  
assign (resid  31 and name  HB2)   (resid  35 and name HG1#)   3.900    2.100    2.100  
!!!assign (resid  24 and name   HN)   (resid  31 and name   HN)   3.400    1.600    1.600 ! Orig 
assign (resid  31 and name   HN)   (resid  32 and name   HN)   3.400    1.600    1.600 ! Alt-1
assign (resid  31 and name   HZ)   (resid  46 and name HG1#)   3.000    1.200    1.200  
assign (resid  31 and name  HD#)   (resid  32 and name   HN)   3.900    2.100    2.100  
assign (resid  31 and name  HD#)   (resid  35 and name HG1#)   3.000    1.200    1.200  
assign (resid  31 and name  HD#)   (resid  46 and name HG1#)   3.900    2.100    2.100  
assign (resid  31 and name  HD#)   (resid  48 and name   HA)   3.900    2.100    2.100  
assign (resid  31 and name  HE#)   (resid  35 and name HG1#)   3.900    2.100    2.100  
assign (resid  31 and name  HE#)   (resid  37 and name   HA)   3.900    2.100    2.100  
assign (resid  31 and name  HE#)   (resid  46 and name HG1#)   3.900    2.100    2.100  
assign (resid  31 and name  HE#)   (resid  48 and name   HA)   3.000    1.200    1.200  
assign (resid  31 and name  HE#)   (resid  48 and name  HB2)   3.900    2.100    2.100  
assign (resid  31 and name  HE#)   (resid  48 and name  HB1)   3.900    2.100    2.100  
assign (resid  32 and name   HN)   (resid  35 and name   HB)   2.650    0.850    0.850  
assign (resid  32 and name   HN)   (resid  35 and name   HN)   3.000    1.200    1.200  
assign (resid  32 and name   HN)   (resid  35 and name HG1#)   3.000    1.200    1.200  
assign (resid  32 and name   HN)   (resid  35 and name HG2#)   3.400    1.600    1.600  
assign (resid  32 and name HG2#)   (resid  35 and name   HB)   3.000    1.200    1.200  
assign (resid  32 and name HG2#)   (resid  35 and name   HN)   3.400    1.600    1.600  
assign (resid  35 and name   HA)   (resid  36 and name   HN)   2.350    0.550    0.550  
assign (resid  35 and name   HB)   (resid  36 and name   HN)   3.000    1.200    1.200  
assign (resid  35 and name   HN)   (resid  36 and name   HN)   3.000    1.200    1.200  
assign (resid  35 and name HG1#)   (resid  36 and name   HN)   2.650    0.850    0.850  
assign (resid  35 and name HG1#)   (resid  48 and name   HA)   3.400    1.600    1.600  
assign (resid  35 and name HG1#)   (resid  48 and name  HB2)   2.550    0.750    0.750  
assign (resid  35 and name HG1#)   (resid  48 and name  HB1)   2.550    0.750    0.750  
assign (resid  35 and name HG2#)   (resid  36 and name   HN)   3.400    1.600    1.600  
assign (resid  35 and name HG2#)   (resid  48 and name  HB2)   2.550    0.750    0.750  
assign (resid  36 and name   HA)   (resid  37 and name   HN)   2.350    0.550    0.550  
assign (resid  36 and name  HB#)   (resid  37 and name   HN)   2.650    0.850    0.850  
assign (resid  36 and name  HG#)   (resid  37 and name   HN)   3.400    1.600    1.600  
assign (resid  37 and name   HA)   (resid  38 and name   HN)   2.350    0.550    0.550  
assign (resid  37 and name   HA)   (resid  46 and name HG1#)   3.000    1.200    1.200  
assign (resid  37 and name   HA)   (resid  48 and name   HA)   3.900    2.100    2.100  
assign (resid  37 and name  HB2)   (resid  38 and name   HN)   3.400    1.600    1.600  
assign (resid  37 and name  HB2)   (resid  46 and name HG1#)   3.900    2.100    2.100  
assign (resid  37 and name  HB1)   (resid  38 and name   HN)   3.000    1.200    1.200  
assign (resid  37 and name  HD2)   (resid  46 and name HG1#)   3.000    1.200    1.200  
assign (resid  37 and name  HD1)   (resid  46 and name HG1#)   2.550    0.750    0.750  
assign (resid  37 and name  HD1)   (resid  46 and name HG2#)   3.000    1.200    1.200  
assign (resid  37 and name  HG1)   (resid  46 and name HG1#)   2.550    0.750    0.750  
assign (resid  37 and name  HG1)   (resid  46 and name HG2#)   3.900    2.100    2.100  
assign (resid  37 and name   HN)   (resid  38 and name   HN)   3.900    2.100    2.100  
assign (resid  38 and name   HA)   (resid  39 and name   HN)   2.350    0.550    0.550  
assign (resid  38 and name  HB1)   (resid  39 and name   HN)   2.650    0.850    0.850  
assign (resid  38 and name  HB2)   (resid  39 and name   HN)   3.000    1.200    1.200  
assign (resid  38 and name  HB2)   (resid  47 and name  HB2)   3.900    2.100    2.100  
assign (resid  38 and name  HD2)   (resid  48 and name   HA)   3.000    1.200    1.200  
assign (resid  38 and name  HD2)   (resid  49 and name  HA*)   3.400    1.600    1.600  
assign (resid  38 and name  HD2)   (resid  49 and name  HA*)   3.400    1.600    1.600  
assign (resid  38 and name  HD2)   (resid  49 and name   HN)   3.900    2.100    2.100  
assign (resid  38 and name   HN)   (resid  39 and name   HN)   3.900    2.100    2.100  
! 46 VAL HA
!!!assign (resid  38 and name   HN)   (resid  46 and name   HA)   2.650    0.850    0.850 ! Orig 
!!!assign (resid  40 and name   HN)   (resid  46 and name   HA)   2.650    0.850    0.850 ! Alt-1
! see a later ass. for this as it is binned at 4.20
assign (resid  48 and name   HN)   (resid  46 and name HG1#)   3.000    1.200    1.200  
assign (resid  38 and name   HN)   (resid  46 and name HG2#)   3.400    1.600    1.600  
assign (resid  38 and name   HN)   (resid  47 and name   HN)   3.000    1.200    1.200  
assign (resid  39 and name   HA)   (resid  40 and name   HN)   2.350    0.550    0.550  
assign (resid  39 and name   HA)   (resid  46 and name   HA)   2.250    0.450    0.450  
assign (resid  39 and name   HA)   (resid  46 and name HG2#)   3.900    2.100    2.100  
assign (resid  39 and name   HA)   (resid  47 and name   HN)   2.650    0.850    0.850  
assign (resid  39 and name  HB2)   (resid  40 and name   HN)   3.400    1.600    1.600  
assign (resid  39 and name  HB1)   (resid  40 and name   HN)   3.400    1.600    1.600  
assign (resid  39 and name  HD2)   (resid  46 and name HG2#)   3.900    2.100    2.100  
assign (resid  40 and name   HA)   (resid  41 and name   HN)   2.350    0.550    0.550  
assign (resid  40 and name   HA)   (resid  42 and name   HN)   3.000    1.200    1.200  
!!!assign (resid  40 and name   HA)   (resid  47 and name HD1#)   3.000    1.200    1.200 ! Could be 46 HA 
assign (resid  40 and name   HA)   (resid  47 and name HD2#)   3.400    1.600    1.600  
assign (resid  40 and name   HA)   (resid  69 and name   HA)   2.250    0.450    0.450  
assign (resid  40 and name   HA)   (resid  70 and name   HN)   3.000    1.200    1.200  
assign (resid  40 and name  HB1)   (resid  41 and name   HN)   3.400    1.600    1.600  
assign (resid  40 and name  HB1)   (resid  43 and name   HN)   3.400    1.600    1.600  
assign (resid  40 and name  HB1)   (resid  44 and name   HN)   2.650    0.850    0.850  
assign (resid  40 and name  HB1)   (resid  45 and name  HB2)   3.000    1.200    1.200  
assign (resid  40 and name  HB1)   (resid  45 and name   HN)   2.650    0.850    0.850  
assign (resid  40 and name  HB1)   (resid  47 and name   HG)   3.000    1.200    1.200  
!!!assign (resid  40 and name  HB1)   (resid  47 and name HD1#)   2.550    0.750    0.750 ! ambig/olap 
assign (resid  40 and name  HB1)   (resid  47 and name HD2#)   2.250    0.450    0.450  
assign (resid  40 and name  HB1)   (resid  69 and name   HA)   3.400    1.600    1.600  
assign (resid  40 and name  HB1)   (resid  70 and name   HN)   3.400    1.600    1.600  
!!!assign (resid  40 and name  HB2)   (resid  44 and name   HN)   3.000    1.200    1.200 ! tight 
assign (resid  40 and name  HB2)   (resid  45 and name   HN)   3.400    1.600    1.600  
assign (resid  40 and name  HB2)   (resid  45 and name  HD#)   3.900    2.100    2.100  
assign (resid  40 and name  HB2)   (resid  47 and name HD1#)   3.000    1.200    1.200  
assign (resid  40 and name  HB2)   (resid  47 and name HD2#)   2.550    0.750    0.750  
assign (resid  40 and name  HB2)   (resid  69 and name   HA)   3.400    1.600    1.600  
assign (resid  40 and name  HB2)   (resid  70 and name   HN)   3.000    1.200    1.200  
assign (resid  40 and name   HN)   (resid  45 and name   HN)   2.650    0.850    0.850  
assign (resid  40 and name   HN)   (resid  46 and name   HA)   3.000    1.200    1.200 ! check above when adjusting 
assign (resid  40 and name   HN)   (resid  47 and name HD1#)   3.900    2.100    2.100  
assign (resid  40 and name   HN)   (resid  47 and name HD2#)   2.650    0.850    0.850  
assign (resid  41 and name  HB1)   (resid  58 and name HD1#)   2.250    0.450    0.450  
assign (resid  41 and name  HB1)   (resid  63 and name HD1#)   2.550    0.750    0.750  
assign (resid  41 and name   HN)   (resid  42 and name   HN)   2.650    0.850    0.850  
assign (resid  41 and name   HN)   (resid  58 and name HD1#)   3.900    2.100    2.100  
assign (resid  41 and name   HN)   (resid  69 and name   HA)   2.350    0.550    0.550  
assign (resid  41 and name   HN)   (resid  69 and name   HB)   3.400    1.600    1.600  
assign (resid  41 and name   HN)   (resid  69 and name HG1#)   2.350    0.550    0.550  
assign (resid  41 and name   HN)   (resid  70 and name   HN)   3.400    1.600    1.600  
assign (resid  42 and name   HA)   (resid  58 and name HG12)   3.900    2.100    2.100  
assign (resid  42 and name   HA)   (resid  58 and name HD1#)   2.550    0.750    0.750  
assign (resid  42 and name  HB2)   (resid  43 and name   HN)   2.350    0.550    0.550  
assign (resid  42 and name  HB2)   (resid  58 and name HD1#)   3.000    1.200    1.200  
assign (resid  42 and name  HB2)   (resid  69 and name HG1#)   2.550    0.750    0.750  
assign (resid  42 and name  HB2)   (resid  73 and name  HB2)   3.400    1.600    1.600  
assign (resid  42 and name  HB2)   (resid  73 and name  HB1)   3.000    1.200    1.200  
assign (resid  42 and name  HB2)   (resid  77 and name HD2#)   3.900    2.100    2.100  
assign (resid  42 and name  HB2)   (resid  77 and name HD1#)   3.400    1.600    1.600  
assign (resid  42 and name  HB1)   (resid  43 and name   HN)   2.350    0.550    0.550  
assign (resid  42 and name  HB1)   (resid  58 and name HD1#)   3.000    1.200    1.200  
assign (resid  42 and name  HB1)   (resid  69 and name HG1#)   3.000    1.200    1.200  
assign (resid  42 and name  HB1)   (resid  73 and name  HB1)   3.000    1.200    1.200  
assign (resid  42 and name  HB1)   (resid  77 and name HD2#)   3.900    2.100    2.100  
assign (resid  42 and name  HB1)   (resid  77 and name HD1#)   3.000    1.200    1.200  
assign (resid  42 and name HD21)   (resid  73 and name   HA)   3.400    1.600    1.600  
assign (resid  42 and name HD21)   (resid  73 and name  HB2)   3.000    1.200    1.200  
assign (resid  42 and name HD21)   (resid  73 and name  HB1)   3.000    1.200    1.200  
assign (resid  42 and name HD21)   (resid  77 and name HD1#)   3.900    2.100    2.100  
assign (resid  42 and name HD22)   (resid  73 and name   HA)   3.900    2.100    2.100  
assign (resid  42 and name HD22)   (resid  73 and name  HB1)   3.000    1.200    1.200  
assign (resid  42 and name HD22)   (resid  77 and name HD2#)   3.400    1.600    1.600  
assign (resid  42 and name HD22)   (resid  77 and name HD1#)   3.400    1.600    1.600  
assign (resid  42 and name   HN)   (resid  43 and name   HN)   2.650    0.850    0.850  
assign (resid  42 and name   HN)   (resid  44 and name   HN)   3.400    1.600    1.600  
assign (resid  42 and name   HN)   (resid  58 and name HG12)   3.900    2.100    2.100  
assign (resid  42 and name   HN)   (resid  58 and name HD1#)   3.400    1.600    1.600  
assign (resid  42 and name   HN)   (resid  69 and name HG1#)   2.650    0.850    0.850  
assign (resid  43 and name  HB2)   (resid  44 and name   HN)   3.900    2.100    2.100  
assign (resid  43 and name   HN)   (resid  44 and name   HN)   2.350    0.550    0.550  
assign (resid  43 and name   HN)   (resid  45 and name   HN)   3.900    2.100    2.100  
assign (resid  44 and name   HN)   (resid  45 and name   HN)   2.650    0.850    0.850  
assign (resid  45 and name   HA)   (resid  46 and name   HN)   2.350    0.550    0.550  
assign (resid  45 and name  HB2)   (resid  46 and name   HN)   2.650    0.850    0.850  
assign (resid  45 and name  HB2)   (resid  47 and name HD1#)   3.900    2.100    2.100  
assign (resid  45 and name  HB2)   (resid  47 and name HD2#)   2.550    0.750    0.750  
assign (resid  45 and name  HB1)   (resid  46 and name   HN)   2.350    0.550    0.550  
assign (resid  45 and name  HB1)   (resid  47 and name HD2#)   3.400    1.600    1.600  
assign (resid  46 and name   HA)   (resid  47 and name   HN)   2.350    0.550    0.550  
assign (resid  46 and name   HB)   (resid  47 and name   HN)   3.400    1.600    1.600  
assign (resid  46 and name HG1#)   (resid  47 and name   HN)   2.650    0.850    0.850  
assign (resid  46 and name HG2#)   (resid  47 and name   HN)   3.400    1.600    1.600  
assign (resid  47 and name   HA)   (resid  48 and name   HN)   2.350    0.550    0.550  
assign (resid  47 and name  HB1)   (resid  48 and name   HN)   2.650    0.850    0.850  
assign (resid  47 and name  HB1)   (resid  51 and name  HB1)   3.000    1.200    1.200  
assign (resid  47 and name  HB1)   (resid  51 and name  HB2)   3.000    1.200    1.200  
assign (resid  47 and name  HB1)   (resid  52 and name  HB2)   3.000    1.200    1.200  
assign (resid  47 and name  HB1)   (resid  52 and name  HB1)   3.400    1.600    1.600  
assign (resid  47 and name  HB2)   (resid  48 and name   HN)   3.000    1.200    1.200  
assign (resid  47 and name  HB2)   (resid  52 and name  HB1)   3.400    1.600    1.600  
assign (resid  47 and name  HB2)   (resid  70 and name  HB1)   3.900    2.100    2.100  
assign (resid  47 and name   HG)   (resid  51 and name  HB1)   3.400    1.600    1.600  
assign (resid  47 and name   HG)   (resid  52 and name  HB1)   3.900    2.100    2.100  
assign (resid  47 and name   HG)   (resid  70 and name   HA)   3.900    2.100    2.100  
assign (resid  47 and name   HG)   (resid  70 and name  HB2)   3.000    1.200    1.200  
assign (resid  47 and name   HG)   (resid  70 and name  HB1)   3.000    1.200    1.200  
assign (resid  47 and name HD1#)   (resid  48 and name   HN)   3.900    2.100    2.100  
assign (resid  47 and name HD1#)   (resid  51 and name  HB1)   2.250    0.450    0.450  
!assign (resid  47 and name HD1#)   (resid  51 and name  HB2)   2.550    0.750    0.750 ! MAYBE MISS, runA 
assign (resid  47 and name HD1#)   (resid  25 and name  HB2)   2.550    0.750    0.750 ! TEST, runA 
assign (resid  47 and name HD1#)   (resid  52 and name   HA)   3.400    1.600    1.600  
assign (resid  47 and name HD1#)   (resid  52 and name  HB1)   3.000    1.200    1.200  
assign (resid  47 and name HD1#)   (resid  70 and name   HA)   3.000    1.200    1.200  
assign (resid  47 and name HD1#)   (resid  70 and name  HB2)   2.250    0.450    0.450  
assign (resid  47 and name HD1#)   (resid  70 and name  HB1)   2.550    0.750    0.750  
assign (resid  47 and name HD1#)   (resid  71 and name   HN)   3.000    1.200    1.200  
!assign (resid  47 and name HD1#)   (resid  71 and name  HB#)   2.550    0.750    0.750 ! MISS, runA
!assign (resid  47 and name HD1#)   (resid  25 and name  HB2)   2.550    0.750    0.750 ! above
assign (resid  47 and name HD2#)   (resid  51 and name  HB1)   3.000    1.200    1.200  
!assign (resid  47 and name HD2#)   (resid  51 and name  HB2)   2.550    0.750    0.750 ! MISS, test 
assign (resid  47 and name HD2#)   (resid  25 and name  HB2)   2.550    0.750    0.750 ! TEST, runA 
assign (resid  47 and name HD2#)   (resid  52 and name  HB2)   3.900    2.100    2.100  
assign (resid  47 and name HD2#)   (resid  70 and name   HA)   3.400    1.600    1.600  
assign (resid  47 and name HD2#)   (resid  70 and name  HB2)   2.550    0.750    0.750  
assign (resid  47 and name HD2#)   (resid  70 and name  HB1)   2.550    0.750    0.750  
assign (resid  47 and name HD2#)   (resid  70 and name   HN)   3.900    2.100    2.100  
assign (resid  47 and name HD2#)   (resid  71 and name   HN)   3.400    1.600    1.600  
assign (resid  48 and name   HA)   (resid  49 and name   HN)   2.350    0.550    0.550  
assign (resid  48 and name   HA)   (resid  50 and name   HN)   3.900    2.100    2.100  
assign (resid  48 and name  HB2)   (resid  49 and name   HN)   3.000    1.200    1.200  
assign (resid  48 and name  HB2)   (resid  50 and name   HN)   3.000    1.200    1.200  
assign (resid  48 and name  HB1)   (resid  49 and name   HN)   3.900    2.100    2.100  
assign (resid  48 and name   HN)   (resid  51 and name  HB1)   2.650    0.850    0.850  
assign (resid  48 and name   HN)   (resid  51 and name  HB2)   2.650    0.850    0.850  
assign (resid  49 and name  HA*)   (resid  50 and name   HN)   2.650    0.850    0.850  
assign (resid  49 and name  HA*)   (resid  50 and name   HN)   3.000    1.200    1.200  
assign (resid  49 and name   HN)   (resid  50 and name   HN)   2.650    0.850    0.850  
assign (resid  50 and name   HA)   (resid  51 and name   HN)   2.650    0.850    0.850  
assign (resid  50 and name   HA)   (resid  53 and name  HB2)   2.550    0.750    0.750  
assign (resid  50 and name  HB2)   (resid  51 and name   HN)   2.650    0.850    0.850  
assign (resid  50 and name  HB1)   (resid  51 and name   HN)   2.650    0.850    0.850  
assign (resid  50 and name   HN)   (resid  51 and name   HN)   2.350    0.550    0.550  
assign (resid  50 and name   HN)   (resid  52 and name   HN)   3.900    2.100    2.100  
assign (resid  51 and name   HA)   (resid  52 and name   HN)   2.650    0.850    0.850  
assign (resid  51 and name  HB2)   (resid  52 and name   HN)   3.400    1.600    1.600  
assign (resid  51 and name   HN)   (resid  52 and name   HN)   2.650    0.850    0.850  
assign (resid  52 and name   HA)   (resid  53 and name   HN)   2.650    0.850    0.850  
assign (resid  52 and name   HA)   (resid  54 and name   HN)   3.400    1.600    1.600  
assign (resid  52 and name   HN)   (resid  53 and name   HN)   2.350    0.550    0.550  
assign (resid  53 and name  HB2)   (resid  54 and name   HN)   2.650    0.850    0.850  
assign (resid  53 and name   HN)   (resid  54 and name   HN)   2.650    0.850    0.850  
assign (resid  54 and name   HA)   (resid  55 and name   HN)   2.350    0.550    0.550  
assign (resid  54 and name   HA)   (resid  69 and name HG2#)   3.900    2.100    2.100  
assign (resid  54 and name   HA)   (resid  74 and name  HD#)   3.900    2.100    2.100  
assign (resid  54 and name   HA)   (resid  74 and name  HE#)   3.900    2.100    2.100  
assign (resid  54 and name  HB2)   (resid  55 and name   HN)   2.650    0.850    0.850  
assign (resid  54 and name  HB2)   (resid  69 and name HG2#)   2.550    0.750    0.750  
assign (resid  54 and name  HB2)   (resid  74 and name  HB#)   2.550    0.750    0.750  
assign (resid  54 and name  HB2)   (resid  74 and name  HD#)   3.900    2.100    2.100  
assign (resid  54 and name  HB2)   (resid  74 and name  HE#)   3.900    2.100    2.100  
assign (resid  54 and name  HB1)   (resid  69 and name HG2#)   2.550    0.750    0.750  
assign (resid  54 and name  HB1)   (resid  74 and name  HB#)   3.900    2.100    2.100  
assign (resid  54 and name  HB1)   (resid  74 and name  HD#)   3.400    1.600    1.600  
assign (resid  54 and name  HB1)   (resid  74 and name  HE#)   3.900    2.100    2.100  
assign (resid  54 and name  HD2)   (resid  71 and name   HA)   3.400    1.600    1.600  
assign (resid  54 and name   HN)   (resid  55 and name   HN)   3.400    1.600    1.600  
assign (resid  54 and name   HN)   (resid  69 and name HG2#)   3.400    1.600    1.600  
assign (resid  55 and name   HA)   (resid  56 and name   HN)   2.350    0.550    0.550  
assign (resid  55 and name   HA)   (resid  68 and name   HA)   2.550    0.750    0.750  
assign (resid  55 and name   HA)   (resid  69 and name   HN)   3.000    1.200    1.200  
assign (resid  55 and name   HA)   (resid  69 and name HG2#)   3.000    1.200    1.200  
assign (resid  55 and name  HB2)   (resid  56 and name   HN)   3.900    2.100    2.100  
assign (resid  55 and name  HB1)   (resid  56 and name   HN)   3.000    1.200    1.200  
assign (resid  55 and name  HB1)   (resid  68 and name   HA)   3.000    1.200    1.200  
assign (resid  55 and name  HB1)   (resid  68 and name  HB2)   3.900    2.100    2.100  
assign (resid  55 and name  HB1)   (resid  68 and name  HB1)   3.400    1.600    1.600  
assign (resid  55 and name  HB1)   (resid  68 and name   HN)   3.900    2.100    2.100  
assign (resid  55 and name  HB1)   (resid  69 and name   HN)   3.900    2.100    2.100  
assign (resid  55 and name   HN)   (resid  69 and name HG2#)   3.900    2.100    2.100  
assign (resid  55 and name  HD#)   (resid  68 and name   HA)   3.900    2.100    2.100  
assign (resid  56 and name   HA)   (resid  57 and name   HN)   2.350    0.550    0.550  
assign (resid  56 and name   HA)   (resid  66 and name   HA)   3.000    1.200    1.200  
assign (resid  56 and name   HA)   (resid  66 and name  HB#)   3.000    1.200    1.200  
assign (resid  56 and name   HA)   (resid  67 and name   HN)   3.400    1.600    1.600  
assign (resid  56 and name   HN)   (resid  66 and name   HA)   3.000    1.200    1.200  
assign (resid  56 and name   HN)   (resid  66 and name  HB#)   3.900    2.100    2.100  
assign (resid  56 and name   HN)   (resid  67 and name   HN)   2.650    0.850    0.850  
assign (resid  56 and name   HN)   (resid  69 and name HG1#)   3.900    2.100    2.100  
assign (resid  56 and name   HN)   (resid  69 and name HG2#)   2.650    0.850    0.850  
assign (resid  56 and name  HB#)   (resid  57 and name   HN)   3.000    1.200    1.200  
assign (resid  56 and name  HB#)   (resid  66 and name  HB#)   3.900    2.100    2.100  
assign (resid  56 and name  HB#)   (resid  67 and name   HN)   3.900    2.100    2.100  
assign (resid  56 and name  HB#)   (resid  69 and name HG1#)   2.550    0.750    0.750  
assign (resid  56 and name  HB#)   (resid  69 and name HG2#)   2.550    0.750    0.750  
assign (resid  56 and name  HB#)   (resid  74 and name   HA)   3.000    1.200    1.200  
assign (resid  56 and name  HB#)   (resid  74 and name  HD#)   3.000    1.200    1.200  
assign (resid  57 and name   HA)   (resid  58 and name   HN)   2.350    0.550    0.550  
assign (resid  57 and name   HA)   (resid  63 and name   HB)   3.000    1.200    1.200  
assign (resid  57 and name   HA)   (resid  63 and name HG2#)   2.550    0.750    0.750  
assign (resid  57 and name   HA)   (resid  66 and name   HA)   2.250    0.450    0.450  
assign (resid  57 and name   HA)   (resid  66 and name  HB#)   3.900    2.100    2.100  
assign (resid  57 and name   HA)   (resid  67 and name   HN)   2.650    0.850    0.850  
assign (resid  57 and name   HN)   (resid  66 and name   HA)   3.000    1.200    1.200  
assign (resid  57 and name   HN)   (resid  66 and name  HB#)   3.900    2.100    2.100  
assign (resid  57 and name  HB#)   (resid  58 and name   HN)   2.350    0.550    0.550  
assign (resid  57 and name  HB#)   (resid  59 and name  HD2)   3.400    1.600    1.600  
assign (resid  57 and name  HB#)   (resid  59 and name  HD1)   2.550    0.750    0.750  
assign (resid  57 and name  HB#)   (resid  64 and name   HA)   2.550    0.750    0.750  
assign (resid  57 and name  HB#)   (resid  66 and name   HA)   2.550    0.750    0.750  
assign (resid  57 and name  HB#)   (resid  66 and name  HG2)   3.400    1.600    1.600  
assign (resid  57 and name  HB#)   (resid  66 and name  HG1)   3.000    1.200    1.200  
assign (resid  57 and name  HB#)   (resid  66 and name  HB#)   3.400    1.600    1.600  
assign (resid  57 and name  HB#)   (resid  67 and name   HN)   3.900    2.100    2.100  
assign (resid  58 and name   HB)   (resid  63 and name   HB)   2.250    0.450    0.450  
assign (resid  58 and name   HB)   (resid  63 and name   HN)   3.000    1.200    1.200  
assign (resid  58 and name   HB)   (resid  63 and name HD1#)   2.250    0.450    0.450  
assign (resid  58 and name   HB)   (resid  63 and name HG2#)   2.550    0.750    0.750  
assign (resid  58 and name HG11)   (resid  63 and name   HB)   2.550    0.750    0.750  
assign (resid  58 and name HG11)   (resid  63 and name HG2#)   2.250    0.450    0.450  
assign (resid  58 and name   HN)   (resid  63 and name   HB)   2.350    0.550    0.550  
assign (resid  58 and name   HN)   (resid  63 and name HG12)   3.400    1.600    1.600  
assign (resid  58 and name   HN)   (resid  63 and name   HN)   3.900    2.100    2.100  
assign (resid  58 and name   HN)   (resid  63 and name HD1#)   3.400    1.600    1.600  
assign (resid  58 and name   HN)   (resid  63 and name HG2#)   2.350    0.550    0.550  
assign (resid  58 and name   HN)   (resid  66 and name   HA)   3.900    2.100    2.100  
assign (resid  58 and name HD1#)   (resid  61 and name  HD#)   3.900    2.100    2.100  
assign (resid  58 and name HD1#)   (resid  63 and name   HB)   3.400    1.600    1.600  
assign (resid  58 and name HD1#)   (resid  63 and name HG12)   3.000    1.200    1.200  
assign (resid  58 and name HD1#)   (resid  63 and name HD1#)   2.550    0.750    0.750  
assign (resid  58 and name HD1#)   (resid  63 and name HG2#)   3.400    1.600    1.600  
assign (resid  58 and name HD1#)   (resid  67 and name  HB2)   3.900    2.100    2.100  
assign (resid  58 and name HD1#)   (resid  69 and name   HB)   3.000    1.200    1.200  
assign (resid  58 and name HD1#)   (resid  69 and name HG1#)   2.250    0.450    0.450  
assign (resid  59 and name   HA)   (resid  60 and name   HN)   2.650    0.850    0.850  
assign (resid  59 and name   HA)   (resid  61 and name   HN)   3.000    1.200    1.200  
!!!assign (resid  59 and name   HA)   (resid  62 and name   HN)   2.650    0.850    0.850 ! tight 
assign (resid  59 and name   HA)   (resid  63 and name   HN)   2.650    0.850    0.850  
assign (resid  59 and name   HA)   (resid  64 and name HG2#)   3.400    1.600    1.600  
assign (resid  59 and name  HB1)   (resid  64 and name HG2#)   3.000    1.200    1.200  
assign (resid  59 and name  HB2)   (resid  60 and name   HN)   3.000    1.200    1.200  
assign (resid  59 and name  HB2)   (resid  64 and name HG2#)   3.000    1.200    1.200  
assign (resid  59 and name  HD2)   (resid  77 and name  HB1)   3.400    1.600    1.600  
assign (resid  59 and name  HD2)   (resid  77 and name HD2#)   3.000    1.200    1.200  
assign (resid  60 and name   HA)   (resid  61 and name   HN)   2.650    0.850    0.850  
assign (resid  60 and name  HG1)   (resid  77 and name HD2#)   3.000    1.200    1.200  
assign (resid  60 and name   HN)   (resid  61 and name   HN)   3.400    1.600    1.600  
assign (resid  60 and name  HB#)   (resid  61 and name   HN)   3.000    1.200    1.200  
assign (resid  60 and name  HB#)   (resid  77 and name HD2#)   3.400    1.600    1.600  
assign (resid  61 and name   HA)   (resid  62 and name   HN)   2.650    0.850    0.850  
assign (resid  61 and name   HA)   (resid  77 and name HD2#)   3.900    2.100    2.100  
assign (resid  61 and name  HB1)   (resid  63 and name HD1#)   2.550    0.750    0.750  
!!!assign (resid  61 and name  HB1)   (resid  77 and name HD2#)   3.000    1.200    1.200 ! Orig/Miss 
!!!assign (resid  61 and name  HB1)   (resid  63 and name HD1#)   3.000    1.200    1.200 ! See above 
assign (resid  61 and name  HB2)   (resid  62 and name   HN)   3.900    2.100    2.100  
assign (resid  61 and name  HB2)   (resid  63 and name   HN)   3.000    1.200    1.200  
assign (resid  61 and name  HB2)   (resid  63 and name HD1#)   2.550    0.750    0.750  
assign (resid  61 and name  HG2)   (resid  77 and name HD2#)   3.000    1.200    1.200  
assign (resid  61 and name  HG1)   (resid  77 and name HD2#)   3.000    1.200    1.200  
assign (resid  61 and name   HN)   (resid  62 and name   HN)   2.650    0.850    0.850  
assign (resid  61 and name   HN)   (resid  63 and name   HN)   3.000    1.200    1.200  
assign (resid  61 and name   HN)   (resid  77 and name HD2#)   3.000    1.200    1.200  
assign (resid  61 and name  HD#)   (resid  63 and name HD1#)   3.400    1.600    1.600  
assign (resid  61 and name  HD#)   (resid  77 and name HD2#)   3.000    1.200    1.200  
assign (resid  62 and name  HA*)   (resid  63 and name   HN)   2.650    0.850    0.850  
assign (resid  62 and name  HA*)   (resid  63 and name   HN)   2.650    0.850    0.850  
assign (resid  62 and name   HN)   (resid  63 and name   HN)   2.650    0.850    0.850  
assign (resid  63 and name   HA)   (resid  64 and name   HN)   2.350    0.550    0.550  
assign (resid  63 and name   HA)   (resid  65 and name   HN)   2.650    0.850    0.850  
assign (resid  63 and name HG2#)   (resid  64 and name   HN)   3.000    1.200    1.200  
assign (resid  63 and name HG2#)   (resid  65 and name   HN)   2.350    0.550    0.550  
assign (resid  63 and name HG2#)   (resid  65 and name  HG#)   3.900    2.100    2.100  
assign (resid  63 and name HG2#)   (resid  66 and name   HA)   3.000    1.200    1.200  
assign (resid  63 and name HG2#)   (resid  67 and name  HB1)   2.550    0.750    0.750  
assign (resid  63 and name HG2#)   (resid  67 and name  HB2)   2.550    0.750    0.750  
assign (resid  63 and name HG2#)   (resid  67 and name  HG2)   2.550    0.750    0.750  
assign (resid  63 and name HG2#)   (resid  67 and name  HG1)   2.550    0.750    0.750  
assign (resid  63 and name HG2#)   (resid  67 and name   HN)   3.000    1.200    1.200  
assign (resid  64 and name   HA)   (resid  65 and name   HN)   2.650    0.850    0.850  
assign (resid  64 and name   HB)   (resid  65 and name   HN)   3.000    1.200    1.200  
assign (resid  64 and name   HN)   (resid  65 and name   HN)   2.650    0.850    0.850  
assign (resid  64 and name HG2#)   (resid  65 and name   HN)   3.400    1.600    1.600  
assign (resid  66 and name   HA)   (resid  67 and name   HN)   2.350    0.550    0.550  
assign (resid  66 and name  HB#)   (resid  67 and name   HN)   2.650    0.850    0.850  
assign (resid  67 and name   HA)   (resid  68 and name   HN)   2.350    0.550    0.550  
assign (resid  67 and name  HB1)   (resid  68 and name   HN)   2.650    0.850    0.850  
assign (resid  67 and name  HB2)   (resid  68 and name   HN)   2.650    0.850    0.850  
assign (resid  67 and name  HG2)   (resid  68 and name   HN)   3.900    2.100    2.100  
assign (resid  68 and name   HA)   (resid  69 and name   HN)   2.350    0.550    0.550  
assign (resid  68 and name  HB2)   (resid  69 and name   HN)   3.400    1.600    1.600  
assign (resid  69 and name   HA)   (resid  70 and name   HN)   2.350    0.550    0.550  
assign (resid  69 and name   HA)   (resid  73 and name  HB2)   3.000    1.200    1.200  
assign (resid  69 and name   HB)   (resid  70 and name   HN)   2.350    0.550    0.550  
assign (resid  69 and name   HB)   (resid  73 and name  HB2)   2.550    0.750    0.750  
assign (resid  69 and name   HB)   (resid  73 and name  HB1)   2.550    0.750    0.750  
assign (resid  69 and name   HB)   (resid  74 and name   HN)   3.900    2.100    2.100  
assign (resid  69 and name HG1#)   (resid  70 and name   HN)   3.000    1.200    1.200  
assign (resid  69 and name HG1#)   (resid  73 and name  HB2)   3.400    1.600    1.600  
assign (resid  69 and name HG1#)   (resid  73 and name  HB1)   3.000    1.200    1.200  
assign (resid  69 and name HG2#)   (resid  70 and name   HN)   3.400    1.600    1.600  
assign (resid  69 and name HG2#)   (resid  71 and name   HA)   3.000    1.200    1.200  
assign (resid  69 and name HG2#)   (resid  73 and name  HB2)   3.400    1.600    1.600  
assign (resid  69 and name HG2#)   (resid  73 and name  HB1)   3.400    1.600    1.600  
assign (resid  69 and name HG2#)   (resid  74 and name   HA)   2.250    0.450    0.450  
assign (resid  69 and name HG2#)   (resid  74 and name   HN)   3.000    1.200    1.200  
assign (resid  69 and name HG2#)   (resid  74 and name  HB#)   2.250    0.450    0.450  
assign (resid  69 and name HG2#)   (resid  74 and name  HD#)   3.000    1.200    1.200  
assign (resid  70 and name   HA)   (resid  71 and name   HN)   2.350    0.550    0.550  
assign (resid  70 and name  HB2)   (resid  71 and name   HN)   2.350    0.550    0.550  
assign (resid  70 and name  HB2)   (resid  72 and name   HN)   3.000    1.200    1.200  
assign (resid  70 and name  HB2)   (resid  72 and name  HB#)   3.900    2.100    2.100  
assign (resid  70 and name  HB1)   (resid  71 and name   HN)   2.650    0.850    0.850  
assign (resid  70 and name   HN)   (resid  73 and name  HB2)   2.650    0.850    0.850  
assign (resid  70 and name   HN)   (resid  73 and name  HB1)   3.000    1.200    1.200  
assign (resid  70 and name   HN)   (resid  73 and name   HN)   3.900    2.100    2.100  
assign (resid  71 and name   HA)   (resid  74 and name   HN)   3.400    1.600    1.600  
assign (resid  71 and name   HA)   (resid  74 and name  HB#)   2.550    0.750    0.750  
assign (resid  71 and name   HA)   (resid  74 and name  HD#)   3.900    2.100    2.100  
assign (resid  71 and name  HB#)   (resid  72 and name   HN)   2.650    0.850    0.850  
assign (resid  71 and name  HB#)   (resid  75 and name HD1#)   3.900    2.100    2.100  
assign (resid  72 and name   HA)   (resid  73 and name   HN)   2.650    0.850    0.850  
assign (resid  72 and name   HA)   (resid  75 and name  HB2)   2.250    0.450    0.450  
assign (resid  72 and name   HA)   (resid  75 and name  HB1)   3.000    1.200    1.200  
assign (resid  72 and name   HA)   (resid  75 and name   HG)   3.400    1.600    1.600  
assign (resid  72 and name   HA)   (resid  75 and name   HN)   2.650    0.850    0.850  
assign (resid  72 and name   HA)   (resid  75 and name HD1#)   2.550    0.750    0.750  
assign (resid  72 and name   HN)   (resid  73 and name   HN)   2.650    0.850    0.850  
assign (resid  72 and name   HN)   (resid  74 and name   HN)   3.900    2.100    2.100  
assign (resid  72 and name   HN)   (resid  75 and name HD1#)   3.900    2.100    2.100  
assign (resid  72 and name  HB#)   (resid  73 and name   HN)   2.350    0.550    0.550  
assign (resid  72 and name  HB#)   (resid  75 and name  HB2)   3.000    1.200    1.200  
assign (resid  72 and name  HB#)   (resid  75 and name   HN)   3.900    2.100    2.100  
assign (resid  72 and name  HB#)   (resid  75 and name HD1#)   3.900    2.100    2.100  
assign (resid  72 and name  HB#)   (resid  76 and name   HN)   3.900    2.100    2.100  
assign (resid  73 and name   HA)   (resid  75 and name  HB2)   3.900    2.100    2.100  
assign (resid  73 and name   HA)   (resid  76 and name   HN)   2.650    0.850    0.850  
assign (resid  73 and name   HA)   (resid  76 and name  HB#)   2.250    0.450    0.450  
assign (resid  73 and name   HA)   (resid  77 and name   HN)   3.400    1.600    1.600  
assign (resid  73 and name   HA)   (resid  77 and name HD1#)   3.400    1.600    1.600  
assign (resid  73 and name  HB2)   (resid  74 and name   HN)   2.650    0.850    0.850  
assign (resid  73 and name  HB2)   (resid  77 and name HD1#)   3.400    1.600    1.600  
assign (resid  73 and name  HB1)   (resid  74 and name   HN)   3.000    1.200    1.200  
assign (resid  73 and name  HB1)   (resid  76 and name  HB#)   3.900    2.100    2.100  
assign (resid  73 and name  HB1)   (resid  77 and name HD1#)   2.550    0.750    0.750  
assign (resid  73 and name   HN)   (resid  74 and name   HN)   2.650    0.850    0.850  
assign (resid  73 and name   HN)   (resid  75 and name   HN)   3.900    2.100    2.100  
assign (resid  74 and name   HA)   (resid  75 and name   HN)   2.650    0.850    0.850  
assign (resid  74 and name   HA)   (resid  77 and name  HB2)   3.000    1.200    1.200  
assign (resid  74 and name   HA)   (resid  77 and name HD1#)   2.550    0.750    0.750  
assign (resid  74 and name   HN)   (resid  75 and name   HN)   2.650    0.850    0.850  
assign (resid  74 and name   HN)   (resid  76 and name   HN)   3.900    2.100    2.100  
assign (resid  74 and name  HB#)   (resid  75 and name   HN)   2.650    0.850    0.850  
assign (resid  74 and name  HD#)   (resid  75 and name   HN)   3.900    2.100    2.100  
assign (resid  75 and name   HA)   (resid  76 and name   HN)   2.650    0.850    0.850  
assign (resid  75 and name   HA)   (resid  78 and name  HB2)   2.550    0.750    0.750  
assign (resid  75 and name   HA)   (resid  78 and name  HB1)   3.000    1.200    1.200  
assign (resid  75 and name   HA)   (resid  78 and name  HG2)   3.400    1.600    1.600  
assign (resid  75 and name   HA)   (resid  78 and name  HG1)   3.000    1.200    1.200  
assign (resid  75 and name   HA)   (resid  78 and name   HN)   3.000    1.200    1.200  
assign (resid  75 and name  HB2)   (resid  76 and name   HN)   2.350    0.550    0.550  
assign (resid  75 and name  HB1)   (resid  76 and name   HN)   2.350    0.550    0.550  
assign (resid  75 and name  HB1)   (resid  78 and name  HD2)   3.900    2.100    2.100  
assign (resid  75 and name   HG)   (resid  76 and name   HN)   3.400    1.600    1.600  
assign (resid  75 and name   HN)   (resid  76 and name   HN)   2.350    0.550    0.550  
assign (resid  75 and name HD1#)   (resid  76 and name   HN)   3.400    1.600    1.600  
assign (resid  76 and name   HA)   (resid  77 and name   HN)   2.650    0.850    0.850  
assign (resid  76 and name   HN)   (resid  77 and name   HN)   2.650    0.850    0.850  
assign (resid  76 and name  HB#)   (resid  77 and name   HN)   2.350    0.550    0.550  
assign (resid  77 and name   HA)   (resid  78 and name   HN)   2.650    0.850    0.850  
assign (resid  77 and name  HB2)   (resid  78 and name   HN)   2.650    0.850    0.850  
assign (resid  77 and name  HB1)   (resid  78 and name   HN)   2.650    0.850    0.850  
assign (resid  77 and name   HN)   (resid  78 and name   HN)   2.350    0.550    0.550  
assign (resid  78 and name   HA)   (resid  79 and name   HN)   2.650    0.850    0.850  
assign (resid  78 and name   HN)   (resid  79 and name   HN)   3.000    1.200    1.200  

!! Residual dipolar couplings recorded at 600 MHz
!! 10 mg/ml PF1

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 14 and name  N   )
       ( resid 14 and name  HN  )  2.200  0.6

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  )  -2.080  0.6

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  )  1.820  0.6

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  )  2.080  0.6

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  )  1.580  0.6

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 20 and name  N   )
       ( resid 20 and name  HN  )  4.980  0.6

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 21 and name  N   )
       ( resid 21 and name  HN  )  0.980  0.6

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  )  -14.100  0.6

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  )  -8.620  0.6

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 26 and name  N   )
       ( resid 26 and name  HN  )  -6.060  0.6

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 27 and name  N   )
       ( resid 27 and name  HN  )  -0.360  0.6

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 28 and name  N   )
       ( resid 28 and name  HN  )  3.540  0.6

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 29 and name  N   )
       ( resid 29 and name  HN  )  16.660  0.6

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 30 and name  N   )
       ( resid 30 and name  HN  )  -1.700  0.6

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 31 and name  N   )
       ( resid 31 and name  HN  )  -17.640  0.6

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 32 and name  N   )
       ( resid 32 and name  HN  )  10.440  0.6

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  )  8.540  0.6

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 36 and name  N   )
       ( resid 36 and name  HN  )  -6.680  0.6

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  )  6.920  0.6

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 38 and name  N   )
!       ( resid 38 and name  HN  )  -0.960  0.6
       ( resid 38 and name  HN  )  0.010  0.6

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 39 and name  N   )
       ( resid 39 and name  HN  )  -3.280  0.6

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 40 and name  N   )
       ( resid 40 and name  HN  )  -3.520  0.6

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  )  -12.980  0.6

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  )  -3.520  0.6

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  )  -14.820  0.6

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  )  -5.960  0.6

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  )  -5.240  0.6

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  )  0.260  0.6

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  )  -1.460  0.6

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 50 and name  N   )
       ( resid 50 and name  HN  )  15.440  0.6

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 51 and name  N   )
       ( resid 51 and name  HN  )  12.140  0.6

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 52 and name  N   )
       ( resid 52 and name  HN  )  -7.280  0.6

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 53 and name  N   )
       ( resid 53 and name  HN  )  1.080  0.6

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  )  -2.920  0.6

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 55 and name  N   )
       ( resid 55 and name  HN  )  4.980  0.6

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 56 and name  N   )
       ( resid 56 and name  HN  )  8.260  0.6

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 57 and name  N   )
       ( resid 57 and name  HN  )  8.020  0.6

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  )  0.740  0.6

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 60 and name  N   )
!       ( resid 60 and name  HN  )  2.920  0.6
       ( resid 60 and name  HN  )  1.220  0.6

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 61 and name  N   )
       ( resid 61 and name  HN  )  -9.620  0.6

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  )  5.220  0.6
       ( resid 62 and name  HN  )  5.460  0.6

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 63 and name  N   )
       ( resid 63 and name  HN  )  -2.780  0.6

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  )  4.500  0.6
       ( resid 64 and name  HN  )  3.500  0.6

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  )  2.300  0.6

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 67 and name  N   )
       ( resid 67 and name  HN  )  -7.280  0.6

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 68 and name  N   )
       ( resid 68 and name  HN  )  1.820  0.6

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  )  -12.900  0.6

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  )  -13.860  0.6

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  )  14.960  0.6

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  )  10.940  0.6

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 74 and name  N   )
       ( resid 74 and name  HN  )  13.240  0.6

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  )  17.620  0.6
       ( resid 75 and name  HN  )  17.480  0.6

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 76 and name  N   )
       ( resid 76 and name  HN  )  15.420  0.6

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  )  8.860  0.6

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 78 and name  N   )
!       ( resid 78 and name  HN  )  13.860  0.6
       ( resid 78 and name  HN  )  14.220  0.6

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 79 and name  N   )
!       ( resid 79 and name  HN  )  7.900  0.6
       ( resid 79 and name  HN  )  8.060  0.6

!! SPARKY adjusted list changes - 240903
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  C   )
       ( resid 14 and name  N   )  -1.718  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 14 and name  C   )
       ( resid 15 and name  N   )  1.175  2.0

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  C   )
       ( resid 16 and name  N   )  5.514  2.0

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  C   )
       ( resid 18 and name  N   )  -11.029  2.0

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  C   )
       ( resid 20 and name  N   )  4.430  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 20 and name  C   )
       ( resid 21 and name  N   )  -11.481  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 22 and name  C   )
       ( resid 23 and name  N   )  4.882  2.0

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  C   )
       ( resid 24 and name  N   )  -2.170  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 25 and name  C   )
!       ( resid 26 and name  N   )  -20.250  2.0
       ( resid 26 and name  N   )  -15.639  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 26 and name  C   )
       ( resid 27 and name  N   )  -3.345  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 27 and name  C   )
       ( resid 28 and name  N   )  -5.514  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 28 and name  C   )
!       ( resid 29 and name  N   )  -15.910  2.0
       ( resid 29 and name  N   )  -9.854  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 29 and name  C   )
       ( resid 30 and name  N   )  14.916  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 30 and name  C   )
       ( resid 31 and name  N   )  -2.802  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 31 and name  C   )
       ( resid 32 and name  N   )  -17.538  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 34 and name  C   )
!       ( resid 35 and name  N   )  -17.628  2.0
       ( resid 35 and name  N   )  -12.837  2.0

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  C   )
       ( resid 36 and name  N   )  9.854  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 36 and name  C   )
       ( resid 37 and name  N   )  -12.114  2.0

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  C   )
!       ( resid 38 and name  N   )  1.085  2.0
       ( resid 38 and name  N   )  2.622  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 38 and name  C   )
       ( resid 39 and name  N   )  13.831  2.0

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  C   )
!       ( resid 40 and name  N   )  3.887  2.0
       ( resid 40 and name  N   )  0.362  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 40 and name  C   )
       ( resid 41 and name  N   )  12.656  2.0

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  C   )
       ( resid 42 and name  N   )  0.542  2.0

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  C   )
       ( resid 44 and name  N   )  -13.198  2.0

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  C   )
!       ( resid 45 and name  N   )  -9.854  2.0
       ( resid 45 and name  N   )  -3.345  2.0

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  C   )
       ( resid 47 and name  N   )  -12.475  2.0 ! 

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  C   )
!       ( resid 49 and name  N   )  -18.170  2.0
       ( resid 49 and name  N   )  -17.447  2.0

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  C   )
       ( resid 50 and name  N   )  8.769  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 51 and name  C   )
       ( resid 52 and name  N   )  -6.147  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 53 and name  C   )
       ( resid 54 and name  N   )  -13.650  2.0 ! correct scale factor
!       ( resid 54 and name  N   )  -12.382  2.0 ! BAD, wrong scale factor

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 55 and name  C   )
       ( resid 56 and name  N   )  -13.198  2.0

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  C   )
       ( resid 57 and name  N   )  12.114  2.0

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  C   )
       ( resid 58 and name  N   )  -8.769  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 59 and name  C   )
       ( resid 60 and name  N   )  13.650  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 60 and name  C   )
       ( resid 61 and name  N   )  -1.718  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 61 and name  C   )
       ( resid 62 and name  N   )  14.374  2.0

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  C   )
       ( resid 63 and name  N   )  -1.085  2.0

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  C   )
       ( resid 65 and name  N   )  6.599  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 66 and name  C   )
       ( resid 67 and name  N   )  0.633  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 67 and name  C   )
       ( resid 68 and name  N   )  16.995  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 68 and name  C   )
!       ( resid 69 and name  N   )  1.085  2.0
       ( resid 69 and name  N   )  1.989  2.0

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  C   )
!       ( resid 70 and name  N   )  -0.994  2.0
       ( resid 70 and name  N   )  -3.978  2.0

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  C   )
       ( resid 73 and name  N   )  2.260  2.0

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  C   )
       ( resid 74 and name  N   )  -20.340  2.0

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  C   )
       ( resid 75 and name  N   )  1.175  2.0

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  C   )
!       ( resid 76 and name  N   )  -1.718  2.0
       ( resid 76 and name  N   )  -2.350  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 76 and name  C   )
       ( resid 77 and name  N   )  -9.402  2.0

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  C   )
       ( resid 78 and name  N   )  -4.972  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 78 and name  C   )
       ( resid 79 and name  N   )  -11.481  2.0

!! Updated list 240903 after SPARKY analysis
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  C   )
       ( resid 14 and name  HN  )  -3.648  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 14 and name  C   )
       ( resid 15 and name  HN  )  -0.030  2.0

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  C   )
!       ( resid 16 and name  HN  )  3.648  2.0
       ( resid 16 and name  HN  )  0.334  2.0

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  C   )
       ( resid 18 and name  HN  )  -3.648  2.0

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  C   )
       ( resid 20 and name  HN  )  5.472  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 20 and name  C   )
       ( resid 21 and name  HN  )  -5.442  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 22 and name  C   )
       ( resid 23 and name  HN  )  -5.472  2.0

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  C   )
       ( resid 24 and name  HN  )  -10.914  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 25 and name  C   )
       ( resid 26 and name  HN  )  -14.592  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 26 and name  C   )
!       ( resid 27 and name  HN  )  -9.120  2.0
       ( resid 27 and name  HN  )  -5.806  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 27 and name  C   )
       ( resid 28 and name  HN  )  -1.824  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 28 and name  C   )
       ( resid 29 and name  HN  )  1.824  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 29 and name  C   )
       ( resid 30 and name  HN  )  3.648  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 30 and name  C   )
       ( resid 31 and name  HN  )  -9.120  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 31 and name  C   )
       ( resid 32 and name  HN  )  -7.296  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 34 and name  C   )
!       ( resid 35 and name  HN  )  -5.502  2.0
       ( resid 35 and name  HN  )  -5.138  2.0

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  C   )
       ( resid 36 and name  HN  )  3.648  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 36 and name  C   )
       ( resid 37 and name  HN  )  1.854  2.0

!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  C   )
!       ( resid 38 and name  HN  )  10.944  2.0 ! Out until everything else checks out

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 38 and name  C   )
       ( resid 39 and name  HN  )  9.120  2.0

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  C   )
!       ( resid 40 and name  HN  )  -7.296  2.0
       ( resid 40 and name  HN  )  -7.205  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 40 and name  C   )
       ( resid 41 and name  HN  )  1.824  2.0

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  C   )
       ( resid 42 and name  HN  )  0.030  2.0

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  C   )
       ( resid 44 and name  HN  )  -12.738  2.0

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  C   )
!       ( resid 45 and name  HN  )  -5.472  2.0
       ( resid 45 and name  HN  )  -1.064  2.0

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  C   )
!       ( resid 47 and name  HN  )  -1.794  2.0
       ( resid 47 and name  HN  )  -3.496  2.0

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  C   )
!       ( resid 49 and name  HN  )  -12.738  2.0
       ( resid 49 and name  HN  )  -10.002  2.0

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  C   )
       ( resid 50 and name  HN  )  10.944  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 51 and name  C   )
       ( resid 52 and name  HN  )  -10.944  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 53 and name  C   )
!       ( resid 54 and name  HN  )  -7.326  2.0
       ( resid 54 and name  HN  )  -9.302  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 55 and name  C   )
       ( resid 56 and name  HN  )  -1.824  2.0

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  C   )
       ( resid 57 and name  HN  )  14.592  2.0

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  C   )
       ( resid 58 and name  HN  )  -1.824  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 59 and name  C   )
!       ( resid 60 and name  HN  )  5.472  2.0
       ( resid 60 and name  HN  )  10.002  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 60 and name  C   )
       ( resid 61 and name  HN  )  -9.090  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 61 and name  C   )
       ( resid 62 and name  HN  )  10.914  2.0

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  C   )
       ( resid 63 and name  HN  )  1.794  2.0

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  C   )
       ( resid 65 and name  HN  )  12.768  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 66 and name  C   )
       ( resid 67 and name  HN  )  -10.944  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 67 and name  C   )
       ( resid 68 and name  HN  )  10.944  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 68 and name  C   )
       ( resid 69 and name  HN  )  -5.472  2.0

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  C   )
       ( resid 70 and name  HN  )  -15.291  2.0

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  C   )
       ( resid 73 and name  HN  )  5.442  2.0

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  C   )
       ( resid 74 and name  HN  )  -3.648  2.0

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  C   )
       ( resid 75 and name  HN  )  9.120  2.0

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  C   )
!       ( resid 76 and name  HN  )  1.824  2.0
       ( resid 76 and name  HN  )  5.545  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 76 and name  C   )
       ( resid 77 and name  HN  )  -5.502  2.0

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  C   )
       ( resid 78 and name  HN  )  5.472  2.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 78 and name  C   )
!       ( resid 79 and name  HN  )  -1.854  2.0
       ( resid 79 and name  HN  )  -3.101  2.0

!! Updated list 240903 after SPARKY analysis
assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 14 and name  C   )
!       ( resid 14 and name  CA  )  -5.842  1.0
       ( resid 14 and name  CA  )  -7.450  1.0

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  C   )
       ( resid 15 and name  CA  )  9.219  1.0

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  C   )
!       ( resid 17 and name  CA  )  -7.504  1.0
       ( resid 17 and name  CA  )  -4.234  1.0

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  C   )
!       ( resid 18 and name  CA  )  1.930  1.0
       ( resid 18 and name  CA  )  4.824  1.0

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  C   )
!       ( resid 19 and name  CA  )  -8.469  1.0
       ( resid 19 and name  CA  )  -6.700  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 20 and name  C   )
       ( resid 20 and name  CA  )  2.948  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 22 and name  C   )
       ( resid 22 and name  CA  )  -4.234  1.0

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  C   )
       ( resid 23 and name  CA  )  17.259  1.0

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  C   )
!       ( resid 24 and name  CA  )  -15.598  1.0
       ( resid 24 and name  CA  )  -10.559  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 25 and name  C   )
!       ( resid 25 and name  CA  )  3.270  1.0
       ( resid 25 and name  CA  )  5.146  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 27 and name  C   )
       ( resid 27 and name  CA  )  16.294  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 28 and name  C   )
       ( resid 28 and name  CA  )  -4.234  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 29 and name  C   )
       ( resid 29 and name  CA  )  5.253  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 30 and name  C   )
!       ( resid 30 and name  CA  )  -4.234  1.0
       ( resid 30 and name  CA  )  -5.199  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 31 and name  C   )
!       ( resid 31 and name  CA  )  12.006  1.0
       ( resid 31 and name  CA  )  11.095  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 34 and name  C   )
       ( resid 34 and name  CA  )  7.129  1.0

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  C   )
       ( resid 35 and name  CA  )  -6.539  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 36 and name  C   )
       ( resid 36 and name  CA  )  -9.809  1.0

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  C   )
       ( resid 37 and name  CA  )  12.650  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 38 and name  C   )
       ( resid 38 and name  CA  )  -10.452  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 40 and name  C   )
       ( resid 40 and name  CA  )  -4.556  1.0

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  C   )
       ( resid 41 and name  CA  )  -9.112  1.0

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  C   )
       ( resid 42 and name  CA  )  0.322  1.0

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  C   )
!       ( resid 43 and name  CA  )  15.651  1.0
       ( resid 43 and name  CA  )  14.204  1.0

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  C   )
       ( resid 45 and name  CA  )  -15.276  1.0

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  C   )
       ( resid 48 and name  CA  )  2.626  1.0

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  C   )
       ( resid 49 and name  CA  )  7.182  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 50 and name  C   )
!       ( resid 50 and name  CA  )  -3.216  1.0
       ( resid 50 and name  CA  )  -4.395  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 51 and name  C   )
       ( resid 51 and name  CA  )  8.790  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 52 and name  C   )
       ( resid 52 and name  CA  )  -11.738  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 53 and name  C   )
       ( resid 53 and name  CA  )  14.365  1.0

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  C   )
       ( resid 54 and name  CA  )  2.948  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 55 and name  C   )
       ( resid 55 and name  CA  )  5.199  1.0

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  C   )
       ( resid 56 and name  CA  )  -1.930  1.0

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  C   )
       ( resid 57 and name  CA  )  -14.633  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 60 and name  C   )
       ( resid 60 and name  CA  )  9.487  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 61 and name  C   )
!       ( resid 61 and name  CA  )  -2.894  1.0
       ( resid 61 and name  CA  )  -1.286  1.0

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  C   )
       ( resid 62 and name  CA  )  -17.527  1.0

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  C   )
       ( resid 64 and name  CA  )  -16.294  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 67 and name  C   )
       ( resid 67 and name  CA  )  9.112  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 68 and name  C   )
       ( resid 68 and name  CA  )  -17.902  1.0

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  C   )
       ( resid 69 and name  CA  )  4.556  1.0

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  C   )
!       ( resid 72 and name  CA  )  5.521  1.0
       ( resid 72 and name  CA  )  7.826  1.0

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  C   )
!       ( resid 73 and name  CA  )  1.286  1.0
       ( resid 73 and name  CA  )  2.626  1.0

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  C   )
       ( resid 74 and name  CA  )  4.878  1.0

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  C   )
!       ( resid 75 and name  CA  )  -0.268  1.0
       ( resid 75 and name  CA  )  -7.450  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 76 and name  C   )
       ( resid 76 and name  CA  )  9.755  1.0

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  C   )
       ( resid 77 and name  CA  )  4.556  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 78 and name  C   )
       ( resid 78 and name  CA  )  -1.286  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 14 and name  CA  )
       ( resid 14 and name  HA  )  -2.1648  1.0

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  CA  )
       ( resid 15 and name  HA  )  -1.8912  1.0

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  CA  )
       ( resid 16 and name  HA  )  -9.3552  1.0

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  CA  )
       ( resid 17 and name  HA  )  0.7008  1.0

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  CA  )
       ( resid 18 and name  HA  )  1.0464  1.0

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  CA  )
       ( resid 19 and name  HA  )  -5.3232  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 20 and name  CA  )
       ( resid 20 and name  HA  )  5.9472  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 22 and name  CA  )
       ( resid 22 and name  HA  )  -3.8736  1.0

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  CA  )
       ( resid 23 and name  HA  )  -17.7792  1.0

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  CA  )
       ( resid 24 and name  HA  )  2.2224  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 25 and name  CA  )
       ( resid 25 and name  HA  )  2.3952  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 27 and name  CA  )
       ( resid 27 and name  HA  )  2.1840  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 29 and name  CA  )
       ( resid 29 and name  HA  )  8.0928  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 30 and name  CA  )
       ( resid 30 and name  HA  )  -16.6272  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 31 and name  CA  )
       ( resid 31 and name  HA  )  -1.4256  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 33 and name  CA  )
       ( resid 33 and name  HA  )  -4.1424  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 34 and name  CA  )
       ( resid 34 and name  HA  )  -0.7680  1.0

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  CA  )
       ( resid 35 and name  HA  )  2.6736  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 36 and name  CA  )
       ( resid 36 and name  HA  )  9.0528  1.0

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  CA  )
       ( resid 37 and name  HA  )  1.6176  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 38 and name  CA  )
       ( resid 38 and name  HA  )  1.1712  1.0

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  CA  )
       ( resid 39 and name  HA  )  1.2768  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 40 and name  CA  )
       ( resid 40 and name  HA  )  -12.5520  1.0

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  CA  )
       ( resid 41 and name  HA  )  7.1424  1.0

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  CA  )
       ( resid 42 and name  HA  )  4.1232  1.0

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  CA  )
       ( resid 43 and name  HA  )  -11.1744  1.0

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  CA  )
       ( resid 45 and name  HA  )  2.1216  1.0

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  CA  )
       ( resid 46 and name  HA  )  4.1568  1.0

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  CA  )
       ( resid 47 and name  HA  )  3.3504  1.0

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  CA  )
       ( resid 48 and name  HA  )  4.3872  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 50 and name  CA  )
       ( resid 50 and name  HA  )  -2.6256  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 51 and name  CA  )
       ( resid 51 and name  HA  )  4.2576  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 52 and name  CA  )
       ( resid 52 and name  HA  )  -2.8464  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 53 and name  CA  )
       ( resid 53 and name  HA  )  -0.2592  1.0

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  CA  )
       ( resid 54 and name  HA  )  -10.5744  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 55 and name  CA  )
       ( resid 55 and name  HA  )  0.9312  1.0

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  CA  )
       ( resid 56 and name  HA  )  3.7632  1.0

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  CA  )
       ( resid 57 and name  HA  )  6.6960  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 59 and name  CA  )
       ( resid 59 and name  HA  )  -0.3552  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 60 and name  CA  )
       ( resid 60 and name  HA  )  6.0048  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 61 and name  CA  )
       ( resid 61 and name  HA  )  -13.6464  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 63 and name  CA  )
       ( resid 63 and name  HA  )  0.2016  1.0

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  CA  )
       ( resid 64 and name  HA  )  -2.0304  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 66 and name  CA  )
       ( resid 66 and name  HA  )  -15.0096  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 67 and name  CA  )
       ( resid 67 and name  HA  )  -12.1776  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 68 and name  CA  )
       ( resid 68 and name  HA  )  -4.1616  1.0

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  CA  )
       ( resid 69 and name  HA  )  -3.8304  1.0

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  CA  )
       ( resid 70 and name  HA  )  -10.0992  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 71 and name  CA  )
       ( resid 71 and name  HA  )  1.8336  1.0

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  CA  )
       ( resid 72 and name  HA  )  4.8480  1.0

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  CA  )
       ( resid 73 and name  HA  )  -15.3024  1.0

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  CA  )
       ( resid 74 and name  HA  )  6.6720  1.0

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  CA  )
       ( resid 75 and name  HA  )  0.4224  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 76 and name  CA  )
       ( resid 76 and name  HA  )  0.3312  1.0

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  CA  )
       ( resid 77 and name  HA  )  -11.3760  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 78 and name  CA  )
       ( resid 78 and name  HA  )  1.0944  1.0

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 79 and name  CA  )
       ( resid 79 and name  HA  )  0.1200  1.0

!! CA and CB chemical shifts

!   2
 assign (resid  1  and name c ) (resid  2  and name n )
        (resid  2  and name ca) (resid  2  and name c )
        (resid  3  and name n )                             63.330   32.411
!   3
 assign (resid  2  and name c ) (resid  3  and name n )
        (resid  3  and name ca) (resid  3  and name c )
        (resid  4  and name n )                             55.627   42.465
!   5
 assign (resid  4  and name c ) (resid  5  and name n )
        (resid  5  and name ca) (resid  5  and name c )
        (resid  6  and name n )                             60.065   65.038
!   6
 assign (resid  5  and name c ) (resid  6  and name n )
        (resid  6  and name ca) (resid  6  and name c )
        (resid  7  and name n )                             56.100   32.266
!   8
 assign (resid  7  and name c ) (resid  8  and name n )
        (resid  8  and name ca) (resid  8  and name c )
        (resid  9  and name n )                             56.865   30.325
!   9
 assign (resid  8  and name c ) (resid  9  and name n )
        (resid  9  and name ca) (resid  9  and name c )
        (resid  10  and name n )                             56.735   33.071
!   10
 assign (resid  9  and name c ) (resid  10  and name n )
        (resid  10  and name ca) (resid  10  and name c )
        (resid  11  and name n )                             54.730   29.713
!   11
 assign (resid  10  and name c ) (resid  11  and name n )
        (resid  11  and name ca) (resid  11  and name c )
        (resid  12  and name n )                             58.622   64.060
!   12
 assign (resid  11  and name c ) (resid  12  and name n )
        (resid  12  and name ca) (resid  12  and name c )
        (resid  13  and name n )                             56.706   33.128
!   14
 assign (resid  13  and name c ) (resid  14  and name n )
        (resid  14  and name ca) (resid  14  and name c )
        (resid  15  and name n )                             58.303   38.917
!   15
 assign (resid  14  and name c ) (resid  15  and name n )
        (resid  15  and name ca) (resid  15  and name c )
        (resid  16  and name n )                             57.022   30.120
!   16
 assign (resid  15  and name c ) (resid  16  and name n )
        (resid  16  and name ca) (resid  16  and name c )
        (resid  17  and name n )                             56.136   30.144
!   17
 assign (resid  16  and name c ) (resid  17  and name n )
        (resid  17  and name ca) (resid  17  and name c )
        (resid  18  and name n )                             56.828   29.932
!   18
 assign (resid  17  and name c ) (resid  18  and name n )
        (resid  18  and name ca) (resid  18  and name c )
        (resid  19  and name n )                             55.567   40.888
!   19
 assign (resid  18  and name c ) (resid  19  and name n )
        (resid  19  and name ca) (resid  19  and name c )
        (resid  20  and name n )                             57.957   29.695
!   20
 assign (resid  19  and name c ) (resid  20  and name n )
        (resid  20  and name ca) (resid  20  and name c )
        (resid  21  and name n )                             54.359   41.729
!   21
 assign (resid  20  and name c ) (resid  21  and name n )
        (resid  21  and name ca) (resid  21  and name c )
        (resid  22  and name n )                             49.782   19.798
!   22
 assign (resid  21  and name c ) (resid  22  and name n )
        (resid  22  and name ca) (resid  22  and name c )
        (resid  23  and name n )                             62.976   32.505
!   23
 assign (resid  22  and name c ) (resid  23  and name n )
        (resid  23  and name ca) (resid  23  and name c )
        (resid  24  and name n )                             50.101   22.755
!   24
 assign (resid  23  and name c ) (resid  24  and name n )
        (resid  24  and name ca) (resid  24  and name c )
        (resid  25  and name n )                             60.850   31.492
!   25
 assign (resid  24  and name c ) (resid  25  and name n )
        (resid  25  and name ca) (resid  25  and name c )
        (resid  26  and name n )                             57.270   40.524
!   27
 assign (resid  26  and name c ) (resid  27  and name n )
        (resid  27  and name ca) (resid  27  and name c )
        (resid  28  and name n )                             58.966   33.445
!   29
 assign (resid  28  and name c ) (resid  29  and name n )
        (resid  29  and name ca) (resid  29  and name c )
        (resid  30  and name n )                             58.324   27.825
!   30
 assign (resid  29  and name c ) (resid  30  and name n )
        (resid  30  and name ca) (resid  30  and name c )
        (resid  31  and name n )                             62.656   32.907
!   31
 assign (resid  30  and name c ) (resid  31  and name n )
        (resid  31  and name ca) (resid  31  and name c )
        (resid  32  and name n )                             59.747   38.524
!   32
 assign (resid  31  and name c ) (resid  32  and name n )
        (resid  32  and name ca) (resid  32  and name c )
        (resid  33  and name n )                             60.185   71.078
!   33
 assign (resid  32  and name c ) (resid  33  and name n )
        (resid  33  and name ca) (resid  33  and name c )
        (resid  34  and name n )                             42.551   63.974
!   34
 assign (resid  33  and name c ) (resid  34  and name n )
        (resid  34  and name ca) (resid  34  and name c )
        (resid  35  and name n )                             37.401   68.005
!   35
 assign (resid  34  and name c ) (resid  35  and name n )
        (resid  35  and name ca) (resid  35  and name c )
        (resid  36  and name n )                             62.645   32.686
!   36
 assign (resid  35  and name c ) (resid  36  and name n )
        (resid  36  and name ca) (resid  36  and name c )
        (resid  37  and name n )                             55.976   31.820
!   37
 assign (resid  36  and name c ) (resid  37  and name n )
        (resid  37  and name ca) (resid  37  and name c )
        (resid  38  and name n )                             56.221   31.724
!   38
 assign (resid  37  and name c ) (resid  38  and name n )
        (resid  38  and name ca) (resid  38  and name c )
        (resid  39  and name n )                             54.599   32.608
!   39
 assign (resid  38  and name c ) (resid  39  and name n )
        (resid  39  and name ca) (resid  39  and name c )
        (resid  40  and name n )                             55.986   31.623
!   40
 assign (resid  39  and name c ) (resid  40  and name n )
        (resid  40  and name ca) (resid  40  and name c )
        (resid  41  and name n )                             59.071   31.623
!   41
 assign (resid  40  and name c ) (resid  41  and name n )
        (resid  41  and name ca) (resid  41  and name c )
        (resid  42  and name n )                             58.418   30.449
!   42
 assign (resid  41  and name c ) (resid  42  and name n )
        (resid  42  and name ca) (resid  42  and name c )
        (resid  43  and name n )                             56.446   39.861
!   43
 assign (resid  42  and name c ) (resid  43  and name n )
        (resid  43  and name ca) (resid  43  and name c )
        (resid  44  and name n )                             59.468   32.863
!   44
 assign (resid  43  and name c ) (resid  44  and name n )
        (resid  44  and name ca) (resid  44  and name c )
        (resid  45  and name n )                             46.873   59.758
!   46
 assign (resid  45  and name c ) (resid  46  and name n )
        (resid  46  and name ca) (resid  46  and name c )
        (resid  47  and name n )                             62.147   32.099
!   47
 assign (resid  46  and name c ) (resid  47  and name n )
        (resid  47  and name ca) (resid  47  and name c )
        (resid  48  and name n )                             52.993   47.788
!   48
 assign (resid  47  and name c ) (resid  48  and name n )
        (resid  48  and name ca) (resid  48  and name c )
        (resid  49  and name n )                             57.948   31.532
!   50
 assign (resid  49  and name c ) (resid  50  and name n )
        (resid  50  and name ca) (resid  50  and name c )
        (resid  51  and name n )                             57.693   41.396
!   51
 assign (resid  50  and name c ) (resid  51  and name n )
        (resid  51  and name ca) (resid  51  and name c )
        (resid  52  and name n )                             61.882   31.353
!   52
 assign (resid  51  and name c ) (resid  52  and name n )
        (resid  52  and name ca) (resid  52  and name c )
        (resid  53  and name n )                             56.807   61.137
!   53
 assign (resid  52  and name c ) (resid  53  and name n )
        (resid  53  and name ca) (resid  53  and name c )
        (resid  54  and name n )                             57.557   31.031
!   54
 assign (resid  53  and name c ) (resid  54  and name n )
        (resid  54  and name ca) (resid  54  and name c )
        (resid  55  and name n )                             56.723   30.087
!   55
 assign (resid  54  and name c ) (resid  55  and name n )
        (resid  55  and name ca) (resid  55  and name c )
        (resid  56  and name n )                             53.729   34.048
!   56
 assign (resid  55  and name c ) (resid  56  and name n )
        (resid  56  and name ca) (resid  56  and name c )
        (resid  57  and name n )                             51.892   23.586
!   57
 assign (resid  56  and name c ) (resid  57  and name n )
        (resid  57  and name ca) (resid  57  and name c )
        (resid  58  and name n )                             52.097   18.998
!   58
 assign (resid  57  and name c ) (resid  58  and name n )
        (resid  58  and name ca) (resid  58  and name c )
        (resid  59  and name n )                             58.739   39.057
!   59
 assign (resid  58  and name c ) (resid  59  and name n )
        (resid  59  and name ca) (resid  59  and name c )
        (resid  60  and name n )                             64.465   31.943
!   60
 assign (resid  59  and name c ) (resid  60  and name n )
        (resid  60  and name ca) (resid  60  and name c )
        (resid  61  and name n )                             58.079   31.623
!   61
 assign (resid  60  and name c ) (resid  61  and name n )
        (resid  61  and name ca) (resid  61  and name c )
        (resid  62  and name n )                             55.314   31.235
!   63
 assign (resid  62  and name c ) (resid  63  and name n )
        (resid  63  and name ca) (resid  63  and name c )
        (resid  64  and name n )                             60.651   38.410
!   64
 assign (resid  63  and name c ) (resid  64  and name n )
        (resid  64  and name ca) (resid  64  and name c )
        (resid  65  and name n )                             62.949   67.773
!   65
 assign (resid  64  and name c ) (resid  65  and name n )
        (resid  65  and name ca) (resid  65  and name c )
        (resid  66  and name n )                             53.603   29.999
!   66
 assign (resid  65  and name c ) (resid  66  and name n )
        (resid  66  and name ca) (resid  66  and name c )
        (resid  67  and name n )                             62.222   32.411
!   67
 assign (resid  66  and name c ) (resid  67  and name n )
        (resid  67  and name ca) (resid  67  and name c )
        (resid  68  and name n )                             54.779   34.914
!   68
 assign (resid  67  and name c ) (resid  68  and name n )
        (resid  68  and name ca) (resid  68  and name c )
        (resid  69  and name n )                             58.619   31.623
!   69
 assign (resid  68  and name c ) (resid  69  and name n )
        (resid  69  and name ca) (resid  69  and name c )
        (resid  70  and name n )                             57.868   37.578
!   70
 assign (resid  69  and name c ) (resid  70  and name n )
        (resid  70  and name ca) (resid  70  and name c )
        (resid  71  and name n )                             57.384   32.683
!   71
 assign (resid  70  and name c ) (resid  71  and name n )
        (resid  71  and name ca) (resid  71  and name c )
        (resid  72  and name n )                             58.624   40.254
!   72
 assign (resid  71  and name c ) (resid  72  and name n )
        (resid  72  and name ca) (resid  72  and name c )
        (resid  73  and name n )                             55.807   18.741
!   73
 assign (resid  72  and name c ) (resid  73  and name n )
        (resid  73  and name ca) (resid  73  and name c )
        (resid  74  and name n )                             65.584   29.313
!   74
 assign (resid  73  and name c ) (resid  74  and name n )
        (resid  74  and name ca) (resid  74  and name c )
        (resid  75  and name n )                             62.422   38.101
!   75
 assign (resid  74  and name c ) (resid  75  and name n )
        (resid  75  and name ca) (resid  75  and name c )
        (resid  76  and name n )                             57.688   41.932
!   76
 assign (resid  75  and name c ) (resid  76  and name n )
        (resid  76  and name ca) (resid  76  and name c )
        (resid  77  and name n )                             54.946   18.658
!   77
 assign (resid  76  and name c ) (resid  77  and name n )
        (resid  77  and name ca) (resid  77  and name c )
        (resid  78  and name n )                             56.846   42.389
!   78
 assign (resid  77  and name c ) (resid  78  and name n )
        (resid  78  and name ca) (resid  78  and name c )
        (resid  79  and name n )                             57.508   29.905
!   79
 assign (resid  78  and name c ) (resid  79  and name n )
        (resid  79  and name ca) (resid  79  and name c )
        (resid  80  and name n )                             59.543   63.693
!   80
 assign (resid  79  and name c ) (resid  80  and name n )
        (resid  80  and name ca) (resid  80  and name c )
        (resid  81  and name n )                             59.268   63.912
!   81
 assign (resid  80  and name c ) (resid  81  and name n )
        (resid  81  and name ca) (resid  81  and name c )
        (resid  82  and name n )                             53.766   38.917
!   82
 assign (resid  81  and name c ) (resid  82  and name n )
        (resid  82  and name ca) (resid  82  and name c )
        (resid  83  and name n )                             55.776   32.836
!   83
 assign (resid  82  and name c ) (resid  83  and name n )
        (resid  83  and name ca) (resid  83  and name c )
        (resid  84  and name n )                             53.047   19.404

!! Phi and Chi1 torsion angle constraints
!! 
assign (resid   2 and name    C)    (resid   3 and name    N)
       (resid   3 and name   CA)    (resid   3 and name    C)     1.0   -120.0     60.0   2

assign (resid   4 and name    C)    (resid   5 and name    N)
       (resid   5 and name   CA)    (resid   5 and name    C)     1.0   -120.0     60.0   2

assign (resid   8 and name    C)    (resid   9 and name    N)
       (resid   9 and name   CA)    (resid   9 and name    C)     1.0   -120.0     60.0   2

assign (resid  14 and name    C)    (resid  15 and name    N)
       (resid  15 and name   CA)    (resid  15 and name    C)     1.0   -120.0     60.0   2

assign (resid  15 and name    C)    (resid  16 and name    N)
       (resid  16 and name   CA)    (resid  16 and name    C)     1.0    -60.0     60.0   2

assign (resid  16 and name    C)    (resid  17 and name    N)
       (resid  17 and name   CA)    (resid  17 and name    C)     1.0    -60.0     60.0   2

assign (resid  17 and name    C)    (resid  18 and name    N)
       (resid  18 and name   CA)    (resid  18 and name    C)     1.0    -60.0     60.0   2

assign (resid  18 and name    C)    (resid  19 and name    N)
       (resid  19 and name   CA)    (resid  19 and name    C)     1.0    -60.0     60.0   2

assign (resid  19 and name    C)    (resid  20 and name    N)
       (resid  20 and name   CA)    (resid  20 and name    C)     1.0   -120.0     60.0   2

assign (resid  20 and name    C)    (resid  21 and name    N)
       (resid  21 and name   CA)    (resid  21 and name    C)     1.0   -120.0     60.0   2

assign (resid  22 and name    C)    (resid  23 and name    N)
       (resid  23 and name   CA)    (resid  23 and name    C)     1.0   -120.0     60.0   2

assign (resid  23 and name    C)    (resid  24 and name    N)
       (resid  24 and name   CA)    (resid  24 and name    C)     1.0    -60.0     60.0   2

assign (resid  26 and name    C)    (resid  27 and name    N)
       (resid  27 and name   CA)    (resid  27 and name    C)     1.0    -60.0     60.0   2

assign (resid  28 and name    C)    (resid  29 and name    N)
       (resid  29 and name   CA)    (resid  29 and name    C)     1.0    -60.0     60.0   2

assign (resid  29 and name    C)    (resid  30 and name    N)
       (resid  30 and name   CA)    (resid  30 and name    C)     1.0    -60.0     60.0   2

assign (resid  30 and name    C)    (resid  31 and name    N)
       (resid  31 and name   CA)    (resid  31 and name    C)     1.0    -60.0     60.0   2

assign (resid  31 and name    C)    (resid  32 and name    N)
       (resid  32 and name   CA)    (resid  32 and name    C)     1.0   -120.0     60.0   2

assign (resid  34 and name    C)    (resid  35 and name    N)
       (resid  35 and name   CA)    (resid  35 and name    C)     1.0   -120.0     60.0   2

assign (resid  35 and name    C)    (resid  36 and name    N)
       (resid  36 and name   CA)    (resid  36 and name    C)     1.0    -60.0     60.0   2

assign (resid  37 and name    C)    (resid  38 and name    N)
       (resid  38 and name   CA)    (resid  38 and name    C)     1.0   -120.0     60.0   2

assign (resid  38 and name    C)    (resid  39 and name    N)
       (resid  39 and name   CA)    (resid  39 and name    C)     1.0   -120.0     60.0   2

assign (resid  39 and name    C)    (resid  40 and name    N)
       (resid  40 and name   CA)    (resid  40 and name    C)     1.0   -120.0     60.0   2

assign (resid  41 and name    C)    (resid  42 and name    N)
       (resid  42 and name   CA)    (resid  42 and name    C)     1.0   -120.0     60.0   2

assign (resid  42 and name    C)    (resid  43 and name    N)
       (resid  43 and name   CA)    (resid  43 and name    C)     1.0   -120.0     60.0   2

assign (resid  45 and name    C)    (resid  46 and name    N)
       (resid  46 and name   CA)    (resid  46 and name    C)     1.0    -60.0     60.0   2

assign (resid  46 and name    C)    (resid  47 and name    N)
       (resid  47 and name   CA)    (resid  47 and name    C)     1.0   -120.0     60.0   2

assign (resid  47 and name    C)    (resid  48 and name    N)
       (resid  48 and name   CA)    (resid  48 and name    C)     1.0   -120.0     60.0   2

assign (resid  50 and name    C)    (resid  51 and name    N)
       (resid  51 and name   CA)    (resid  51 and name    C)     1.0   -120.0     60.0   2

!assign (resid  51 and name    C)    (resid  52 and name    N)
!       (resid  52 and name   CA)    (resid  52 and name    C)     1.0    -60.0     60.0   2

assign (resid  52 and name    C)    (resid  53 and name    N)
       (resid  53 and name   CA)    (resid  53 and name    C)     1.0   -120.0     60.0   2

assign (resid  53 and name    C)    (resid  54 and name    N)
       (resid  54 and name   CA)    (resid  54 and name    C)     1.0   -120.0     60.0   2

assign (resid  54 and name    C)    (resid  55 and name    N)
       (resid  55 and name   CA)    (resid  55 and name    C)     1.0   -120.0     60.0   2

assign (resid  55 and name    C)    (resid  56 and name    N)
       (resid  56 and name   CA)    (resid  56 and name    C)     1.0   -120.0     60.0   2

assign (resid  57 and name    C)    (resid  58 and name    N)
       (resid  58 and name   CA)    (resid  58 and name    C)     1.0   -120.0     60.0   2

assign (resid  60 and name    C)    (resid  61 and name    N)
       (resid  61 and name   CA)    (resid  61 and name    C)     1.0   -120.0     60.0   2

assign (resid  62 and name    C)    (resid  63 and name    N)
       (resid  63 and name   CA)    (resid  63 and name    C)     1.0   -120.0     60.0   2

assign (resid  63 and name    C)    (resid  64 and name    N)
       (resid  64 and name   CA)    (resid  64 and name    C)     1.0   -120.0     60.0   2

assign (resid  64 and name    C)    (resid  65 and name    N)
       (resid  65 and name   CA)    (resid  65 and name    C)     1.0   -120.0     60.0   2

assign (resid  66 and name    C)    (resid  67 and name    N)
       (resid  67 and name   CA)    (resid  67 and name    C)     1.0   -120.0     60.0   2

assign (resid  67 and name    C)    (resid  68 and name    N)
       (resid  68 and name   CA)    (resid  68 and name    C)     1.0    -60.0     60.0   2

assign (resid  68 and name    C)    (resid  69 and name    N)
       (resid  69 and name   CA)    (resid  69 and name    C)     1.0   -120.0     60.0   2

assign (resid  71 and name    C)    (resid  72 and name    N)
       (resid  72 and name   CA)    (resid  72 and name    C)     1.0    -60.0     60.0   2

assign (resid  72 and name    C)    (resid  73 and name    N)
       (resid  73 and name   CA)    (resid  73 and name    C)     1.0    -60.0     60.0   2

assign (resid  73 and name    C)    (resid  74 and name    N)
       (resid  74 and name   CA)    (resid  74 and name    C)     1.0    -60.0     60.0   2

assign (resid  74 and name    C)    (resid  75 and name    N)
       (resid  75 and name   CA)    (resid  75 and name    C)     1.0    -60.0     60.0   2

assign (resid  75 and name    C)    (resid  76 and name    N)
       (resid  76 and name   CA)    (resid  76 and name    C)     1.0    -60.0     60.0   2

assign (resid  76 and name    C)    (resid  77 and name    N)
       (resid  77 and name   CA)    (resid  77 and name    C)     1.0    -60.0     60.0   2

assign (resid  77 and name    C)    (resid  78 and name    N)
       (resid  78 and name   CA)    (resid  78 and name    C)     1.0    -60.0     60.0   2

assign (resid  78 and name    C)    (resid  79 and name    N)
       (resid  79 and name   CA)    (resid  79 and name    C)     1.0    -60.0     60.0   2

assign (resid  81 and name    C)    (resid  82 and name    N)
       (resid  82 and name   CA)    (resid  82 and name    C)     1.0   -120.0     60.0   2

assign (resid  82 and name    C)    (resid  83 and name    N)
       (resid  83 and name   CA)    (resid  83 and name    C)     1.0   -120.0     60.0   2

!! 
!assign (resid   1 and name    C)    (resid   2 and name    N)
!       (resid   2 and name   CA)    (resid   2 and name    C)     1.0    -90.0     90.0   2

assign (resid   5 and name    C)    (resid   6 and name    N)
       (resid   6 and name   CA)    (resid   6 and name    C)     1.0    -90.0     90.0   2

assign (resid   7 and name    C)    (resid   8 and name    N)
       (resid   8 and name   CA)    (resid   8 and name    C)     1.0    -90.0     90.0   2

assign (resid  11 and name    C)    (resid  12 and name    N)
       (resid  12 and name   CA)    (resid  12 and name    C)     1.0    -90.0     90.0   2

assign (resid  13 and name    C)    (resid  14 and name    N)
       (resid  14 and name   CA)    (resid  14 and name    C)     1.0    -90.0     90.0   2

!assign (resid  21 and name    C)    (resid  22 and name    N)
!       (resid  22 and name   CA)    (resid  22 and name    C)     1.0    -90.0     90.0   2

assign (resid  24 and name    C)    (resid  25 and name    N)
       (resid  25 and name   CA)    (resid  25 and name    C)     1.0    -90.0     90.0   2

assign (resid  33 and name    C)    (resid  34 and name    N)
       (resid  34 and name   CA)    (resid  34 and name    C)     1.0    -90.0     90.0   2

assign (resid  36 and name    C)    (resid  37 and name    N)
       (resid  37 and name   CA)    (resid  37 and name    C)     1.0    -90.0     90.0   2

assign (resid  40 and name    C)    (resid  41 and name    N)
       (resid  41 and name   CA)    (resid  41 and name    C)     1.0    -90.0     90.0   2

assign (resid  44 and name    C)    (resid  45 and name    N)
       (resid  45 and name   CA)    (resid  45 and name    C)     1.0    -90.0     90.0   2

assign (resid  49 and name    C)    (resid  50 and name    N)
       (resid  50 and name   CA)    (resid  50 and name    C)     1.0    -90.0     90.0   2

!assign (resid  51 and name    C)    (resid  52 and name    N)
!       (resid  52 and name   CA)    (resid  52 and name    C)     1.0     90.0     90.0   2

assign (resid  56 and name    C)    (resid  57 and name    N)
       (resid  57 and name   CA)    (resid  57 and name    C)     1.0    -90.0     90.0   2

!assign (resid  58 and name    C)    (resid  59 and name    N)
!       (resid  59 and name   CA)    (resid  59 and name    C)     1.0    -90.0     90.0   2

assign (resid  59 and name    C)    (resid  60 and name    N)
       (resid  60 and name   CA)    (resid  60 and name    C)     1.0    -90.0     90.0   2

!assign (resid  65 and name    C)    (resid  66 and name    N)
!       (resid  66 and name   CA)    (resid  66 and name    C)     1.0    -90.0     90.0   2

assign (resid  69 and name    C)    (resid  70 and name    N)
       (resid  70 and name   CA)    (resid  70 and name    C)     1.0    -90.0     90.0   2

assign (resid  70 and name    C)    (resid  71 and name    N)
       (resid  71 and name   CA)    (resid  71 and name    C)     1.0    -90.0     90.0   2

assign (resid  79 and name    C)    (resid  80 and name    N)
       (resid  80 and name   CA)    (resid  80 and name    C)     1.0    -90.0     90.0   2

assign (resid  80 and name    C)    (resid  81 and name    N)
       (resid  81 and name   CA)    (resid  81 and name    C)     1.0    -90.0     90.0   2

assign (resid  32 and name    C)    (resid  33 and name    N)
       (resid  33 and name   CA)    (resid  33 and name    C)     1.0    -90.0     90.0   2

!### 14 TYR   CHI1    -90.0   -30.0 consistent large violation
!### 30 VAL   CHI1    150.0   230.0 NOT CERTAIN, spinning???
!### 31 PHE   CHI1     30.0    90.0 miss-ass, angle as below:
!### 58 ILE   CHI1    -90.0   -30.0 taken out @run15_asno3, consistent & large!
!! 
assign (resid   3 and name    N)    (resid   3 and name   CA)
       (resid   3 and name   CB)    (resid   3 and name   CG)     1.0    -60.0     30.0   2

assign (resid  17 and name    N)    (resid  17 and name   CA)
       (resid  17 and name   CB)    (resid  17 and name   CG)     1.0    -60.0     30.0   2

assign (resid  19 and name    N)    (resid  19 and name   CA)
       (resid  19 and name   CB)    (resid  19 and name   CG)     1.0    -60.0     30.0   2

assign (resid  20 and name    N)    (resid  20 and name   CA)
       (resid  20 and name   CB)    (resid  20 and name   CG)     1.0    -60.0     30.0   2

assign (resid  24 and name    N)    (resid  24 and name   CA)
       (resid  24 and name   CB)    (resid  24 and name   SG)     1.0    190.0     40.0   2

assign (resid  25 and name    N)    (resid  25 and name   CA)
       (resid  25 and name   CB)    (resid  25 and name   CG)     1.0    -60.0     30.0   2

assign (resid  27 and name    N)    (resid  27 and name   CA)
       (resid  27 and name   CB)    (resid  27 and name   SG)     1.0     60.0     30.0   2

assign (resid  29 and name    N)    (resid  29 and name   CA)
       (resid  29 and name   CB)    (resid  29 and name   SG)     1.0     60.0     30.0   2

assign (resid  31 and name    N)    (resid  31 and name   CA)
       (resid  31 and name   CB)    (resid  31 and name   CG)     1.0    -60.0     30.0   2

assign (resid  35 and name    N)    (resid  35 and name   CA)
       (resid  35 and name   CB)    (resid  35 and name  CG1)     1.0    190.0     40.0   2

assign (resid  38 and name    N)    (resid  38 and name   CA)
       (resid  38 and name   CB)    (resid  38 and name   CG)     1.0    -60.0     30.0   2

assign (resid  39 and name    N)    (resid  39 and name   CA)
       (resid  39 and name   CB)    (resid  39 and name   CG)     1.0    -60.0     30.0   2

assign (resid  40 and name    N)    (resid  40 and name   CA)
       (resid  40 and name   CB)    (resid  40 and name   SG)     1.0    190.0     40.0   2

assign (resid  42 and name    N)    (resid  42 and name   CA)
       (resid  42 and name   CB)    (resid  42 and name   CG)     1.0    -60.0     30.0   2

assign (resid  43 and name    N)    (resid  43 and name   CA)
       (resid  43 and name   CB)    (resid  43 and name   SG)     1.0     60.0     30.0   2

assign (resid  45 and name    N)    (resid  45 and name   CA)
       (resid  45 and name   CB)    (resid  45 and name   CG)     1.0    -60.0     30.0   2

assign (resid  46 and name    N)    (resid  46 and name   CA)
       (resid  46 and name   CB)    (resid  46 and name  CG1)     1.0    190.0     40.0   2

assign (resid  47 and name    N)    (resid  47 and name   CA)
       (resid  47 and name   CB)    (resid  47 and name   CG)     1.0    -60.0     30.0   2

assign (resid  48 and name    N)    (resid  48 and name   CA)
       (resid  48 and name   CB)    (resid  48 and name   SG)     1.0     60.0     30.0   2

assign (resid  50 and name    N)    (resid  50 and name   CA)
       (resid  50 and name   CB)    (resid  50 and name   CG)     1.0    -60.0     30.0   2

assign (resid  51 and name    N)    (resid  51 and name   CA)
       (resid  51 and name   CB)    (resid  51 and name   SG)     1.0    -60.0     30.0   2

assign (resid  52 and name    N)    (resid  52 and name   CA)
       (resid  52 and name   CB)    (resid  52 and name   OG)     1.0     60.0     30.0   2

assign (resid  54 and name    N)    (resid  54 and name   CA)
       (resid  54 and name   CB)    (resid  54 and name   CG)     1.0    -60.0     30.0   2

assign (resid  55 and name    N)    (resid  55 and name   CA)
       (resid  55 and name   CB)    (resid  55 and name   CG)     1.0    -60.0     30.0   2

assign (resid  61 and name    N)    (resid  61 and name   CA)
       (resid  61 and name   CB)    (resid  61 and name   CG)     1.0    -60.0     30.0   2

assign (resid  63 and name    N)    (resid  63 and name   CA)
       (resid  63 and name   CB)    (resid  63 and name  CG1)     1.0    -60.0     30.0   2

assign (resid  65 and name    N)    (resid  65 and name   CA)
       (resid  65 and name   CB)    (resid  65 and name   CG)     1.0    -60.0     30.0   2

assign (resid  67 and name    N)    (resid  67 and name   CA)
       (resid  67 and name   CB)    (resid  67 and name   CG)     1.0    -60.0     30.0   2

assign (resid  69 and name    N)    (resid  69 and name   CA)
       (resid  69 and name   CB)    (resid  69 and name  CG1)     1.0    -60.0     30.0   2

assign (resid  70 and name    N)    (resid  70 and name   CA)
       (resid  70 and name   CB)    (resid  70 and name   SG)     1.0     60.0     30.0   2

assign (resid  73 and name    N)    (resid  73 and name   CA)
       (resid  73 and name   CB)    (resid  73 and name   SG)     1.0    -60.0     30.0   2

assign (resid  75 and name    N)    (resid  75 and name   CA)
       (resid  75 and name   CB)    (resid  75 and name   CG)     1.0    -60.0     30.0   2

assign (resid  77 and name    N)    (resid  77 and name   CA)
       (resid  77 and name   CB)    (resid  77 and name   CG)     1.0    -60.0     30.0   2

assign (resid  82 and name    N)    (resid  82 and name   CA)
       (resid  82 and name   CB)    (resid  82 and name   CG)     1.0    -60.0     30.0   2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           1HT      GLY   1 -16.924  19.444 -16.293
    2    H2   GLY   1           2HT      GLY   1 -16.110  18.340 -17.282
    3    H3   GLY   1           3HT      GLY   1 -16.957  19.629 -17.975
    4    HA2  GLY   1           1HA      GLY   1 -14.994  20.658 -18.056
    5    HA3  GLY   1           2HA      GLY   1 -15.287  20.947 -16.348
    6    HA   PRO   2           HA       PRO   2 -11.569  17.938 -17.409
    7    HB2  PRO   2           2HB      PRO   2  -9.566  19.838 -17.512
    8    HB3  PRO   2           1HB      PRO   2 -10.319  19.091 -18.924
    9    HG2  PRO   2           2HG      PRO   2 -10.883  21.736 -17.652
   10    HG3  PRO   2           1HG      PRO   2 -10.805  21.312 -19.372
   11    HD2  PRO   2           2HD      PRO   2 -13.151  21.629 -18.111
   12    HD3  PRO   2           1HD      PRO   2 -12.936  20.392 -19.367
   13    H    LEU   3           H        LEU   3 -10.204  17.284 -15.769
   14    HA   LEU   3           HA       LEU   3 -10.777  18.135 -13.163
   15    HB2  LEU   3           2HB      LEU   3  -8.362  16.608 -14.134
   16    HB3  LEU   3           1HB      LEU   3  -8.903  16.714 -12.470
   17    HG   LEU   3           HG       LEU   3 -10.275  15.312 -14.754
   18   HD11  LEU   3          1HD1      LEU   3  -8.331  14.309 -13.345
   19   HD12  LEU   3          2HD1      LEU   3  -9.768  13.342 -13.674
   20   HD13  LEU   3          3HD1      LEU   3  -9.574  14.127 -12.107
   21   HD21  LEU   3          1HD2      LEU   3 -11.310  15.676 -11.947
   22   HD22  LEU   3          2HD2      LEU   3 -12.090  14.799 -13.262
   23   HD23  LEU   3          3HD2      LEU   3 -11.907  16.550 -13.357
   24    H    GLY   4           H        GLY   4  -8.294  19.114 -15.427
   25    HA2  GLY   4           2HA      GLY   4  -7.163  21.170 -15.358
   26    HA3  GLY   4           1HA      GLY   4  -7.633  21.349 -13.675
   27    H    SER   5           H        SER   5  -5.468  21.972 -13.208
   28    HA   SER   5           HA       SER   5  -3.196  20.440 -13.751
   29    HB2  SER   5           2HB      SER   5  -3.665  22.225 -11.353
   30    HB3  SER   5           1HB      SER   5  -2.101  21.730 -11.998
   31    HG   SER   5           HG       SER   5  -3.318  22.765 -14.026
   32    H    MET   6           H        MET   6  -5.582  20.172 -11.192
   33    HA   MET   6           HA       MET   6  -4.051  17.947 -10.028
   34    HB2  MET   6           2HB      MET   6  -6.288  19.605  -8.852
   35    HB3  MET   6           1HB      MET   6  -5.527  18.240  -8.046
   36    HG2  MET   6           2HG      MET   6  -3.368  19.435  -8.147
   37    HG3  MET   6           1HG      MET   6  -4.204  20.820  -8.847
   38    HE1  MET   6           1HE      MET   6  -3.606  22.658  -6.820
   39    HE2  MET   6           2HE      MET   6  -2.453  21.336  -6.635
   40    HE3  MET   6           3HE      MET   6  -3.298  21.973  -5.224
   41    H    GLY   7           H        GLY   7  -4.987  15.942  -9.713
   42    HA2  GLY   7           2HA      GLY   7  -7.752  15.493 -10.486
   43    HA3  GLY   7           1HA      GLY   7  -6.551  14.777 -11.551
   44    H    GLU   8           H        GLU   8  -8.623  13.816  -9.422
   45    HA   GLU   8           HA       GLU   8  -6.878  12.274  -7.674
   46    HB2  GLU   8           2HB      GLU   8  -9.894  12.402  -7.859
   47    HB3  GLU   8           1HB      GLU   8  -9.002  11.466  -6.669
   48    HG2  GLU   8           2HG      GLU   8  -7.995  13.554  -5.829
   49    HG3  GLU   8           1HG      GLU   8  -8.982  14.459  -6.975
   50    H    LYS   9           H        LYS   9  -7.402  11.871 -10.735
   51    HA   LYS   9           HA       LYS   9  -8.469   9.216 -10.883
   52    HB2  LYS   9           2HB      LYS   9  -6.777  10.731 -12.885
   53    HB3  LYS   9           1HB      LYS   9  -7.670   9.251 -13.208
   54    HG2  LYS   9           2HG      LYS   9  -8.905  11.877 -12.403
   55    HG3  LYS   9           1HG      LYS   9  -8.810  11.254 -14.051
   56    HD2  LYS   9           2HD      LYS   9 -10.080   9.242 -13.274
   57    HD3  LYS   9           1HD      LYS   9 -10.309  10.058 -11.726
   58    HE2  LYS   9           2HE      LYS   9 -11.025  11.653 -14.085
   59    HE3  LYS   9           1HE      LYS   9 -12.019  10.219 -13.833
   60    HZ1  LYS   9           1HZ      LYS   9 -12.117  12.676 -12.477
   61    HZ2  LYS   9           2HZ      LYS   9 -11.705  11.473 -11.363
   62    HZ3  LYS   9           3HZ      LYS   9 -13.117  11.325 -12.282
   63    H    GLN  10           H        GLN  10  -5.716  10.407  -9.592
   64    HA   GLN  10           HA       GLN  10  -3.706   8.642 -10.475
   65    HB2  GLN  10           2HB      GLN  10  -3.145  10.698  -9.358
   66    HB3  GLN  10           1HB      GLN  10  -4.055  10.230  -7.926
   67    HG2  GLN  10           2HG      GLN  10  -2.456   8.417  -7.521
   68    HG3  GLN  10           1HG      GLN  10  -1.551   8.899  -8.956
   69   HE21  GLN  10          1HE2      GLN  10  -0.255   8.769  -6.600
   70   HE22  GLN  10          2HE2      GLN  10   0.120  10.353  -6.021
   71    H    SER  11           H        SER  11  -2.988   6.698  -9.672
   72    HA   SER  11           HA       SER  11  -4.720   5.401  -7.670
   73    HB2  SER  11           2HB      SER  11  -4.317   3.272  -8.803
   74    HB3  SER  11           1HB      SER  11  -4.990   4.441  -9.939
   75    HG   SER  11           HG       SER  11  -2.875   4.794 -10.715
   76    H    LYS  12           H        LYS  12  -3.728   3.922  -6.217
   77    HA   LYS  12           HA       LYS  12  -0.803   4.215  -5.997
   78    HB2  LYS  12           2HB      LYS  12  -2.818   4.192  -3.743
   79    HB3  LYS  12           1HB      LYS  12  -1.072   4.213  -3.541
   80    HG2  LYS  12           2HG      LYS  12  -0.999   6.383  -4.723
   81    HG3  LYS  12           1HG      LYS  12  -2.763   6.365  -4.792
   82    HD2  LYS  12           2HD      LYS  12  -2.796   6.219  -2.307
   83    HD3  LYS  12           1HD      LYS  12  -1.042   6.411  -2.316
   84    HE2  LYS  12           2HE      LYS  12  -3.090   8.384  -3.318
   85    HE3  LYS  12           1HE      LYS  12  -2.077   8.545  -1.884
   86    HZ1  LYS  12           1HZ      LYS  12  -1.226   9.830  -3.757
   87    HZ2  LYS  12           2HZ      LYS  12  -1.077   8.419  -4.678
   88    HZ3  LYS  12           3HZ      LYS  12  -0.131   8.628  -3.292
   89    H    GLY  13           H        GLY  13   0.359   2.429  -5.304
   90    HA2  GLY  13           2HA      GLY  13   0.827   0.205  -4.994
   91    HA3  GLY  13           1HA      GLY  13  -0.743   0.086  -4.215
   92    H    TYR  14           H        TYR  14   0.929  -0.050  -7.316
   93    HA   TYR  14           HA       TYR  14  -1.378  -0.991  -8.737
   94    HB2  TYR  14           2HB      TYR  14   0.394   0.243  -9.888
   95    HB3  TYR  14           1HB      TYR  14   1.539  -1.042  -9.522
   96    HD1  TYR  14           1HD      TYR  14  -1.440  -0.151 -11.503
   97    HD2  TYR  14           2HD      TYR  14   1.589  -3.057 -10.809
   98    HE1  TYR  14           1HE      TYR  14  -2.070  -1.296 -13.585
   99    HE2  TYR  14           2HE      TYR  14   0.969  -4.209 -12.891
  100    HH   TYR  14           HH       TYR  14  -1.707  -4.018 -14.373
  101    H    TRP  15           H        TRP  15  -2.148  -2.977  -8.709
  102    HA   TRP  15           HA       TRP  15  -0.548  -5.151  -7.591
  103    HB2  TRP  15           2HB      TRP  15  -2.673  -6.415  -7.595
  104    HB3  TRP  15           1HB      TRP  15  -2.813  -4.888  -6.728
  105    HD1  TRP  15           HD       TRP  15  -3.975  -6.624  -9.941
  106    HE1  TRP  15           1HE      TRP  15  -5.978  -5.321 -10.897
  107    HE3  TRP  15           3HE      TRP  15  -3.899  -2.597  -6.794
  108    HZ2  TRP  15           2HZ      TRP  15  -7.345  -2.905 -10.386
  109    HZ3  TRP  15           3HZ      TRP  15  -5.588  -0.834  -7.093
  110    HH2  TRP  15           HH       TRP  15  -7.275  -0.985  -8.853
  111    H    GLN  16           H        GLN  16   0.589  -6.422  -8.895
  112    HA   GLN  16           HA       GLN  16   0.041  -6.518 -11.742
  113    HB2  GLN  16           2HB      GLN  16   2.372  -6.430 -10.874
  114    HB3  GLN  16           1HB      GLN  16   2.122  -7.991 -10.104
  115    HG2  GLN  16           2HG      GLN  16   1.824  -9.041 -12.264
  116    HG3  GLN  16           1HG      GLN  16   1.984  -7.478 -13.066
  117   HE21  GLN  16          1HE2      GLN  16   3.617  -9.425 -13.875
  118   HE22  GLN  16          2HE2      GLN  16   5.230  -9.160 -13.317
  119    H    GLU  17           H        GLU  17  -1.093  -7.944 -12.755
  120    HA   GLU  17           HA       GLU  17  -2.759  -9.746 -11.512
  121    HB2  GLU  17           2HB      GLU  17  -1.806  -9.732 -14.373
  122    HB3  GLU  17           1HB      GLU  17  -3.174 -10.664 -13.780
  123    HG2  GLU  17           2HG      GLU  17  -4.277  -8.571 -13.107
  124    HG3  GLU  17           1HG      GLU  17  -2.923  -7.665 -13.780
  125    H    ASP  18           H        ASP  18  -2.901 -11.993 -11.496
  126    HA   ASP  18           HA       ASP  18  -0.697 -13.437 -10.599
  127    HB2  ASP  18           2HB      ASP  18  -3.213 -14.460 -11.923
  128    HB3  ASP  18           1HB      ASP  18  -2.104 -15.420 -10.947
  129    H    GLU  19           H        GLU  19  -2.166 -13.349 -13.821
  130    HA   GLU  19           HA       GLU  19  -0.464 -15.271 -14.982
  131    HB2  GLU  19           2HB      GLU  19  -2.125 -13.074 -16.210
  132    HB3  GLU  19           1HB      GLU  19  -1.276 -14.290 -17.152
  133    HG2  GLU  19           2HG      GLU  19  -2.578 -16.045 -16.035
  134    HG3  GLU  19           1HG      GLU  19  -3.445 -14.806 -15.129
  135    H    ASP  20           H        ASP  20  -0.284 -11.739 -14.870
  136    HA   ASP  20           HA       ASP  20   1.977 -11.544 -16.570
  137    HB2  ASP  20           2HB      ASP  20   0.856  -9.629 -14.515
  138    HB3  ASP  20           1HB      ASP  20   2.180  -9.231 -15.606
  139    H    ALA  21           H        ALA  21   1.538 -12.008 -13.153
  140    HA   ALA  21           HA       ALA  21   4.465 -12.084 -12.785
  141    HB1  ALA  21           1HB      ALA  21   3.632 -11.926 -10.265
  142    HB2  ALA  21           2HB      ALA  21   2.256 -11.143 -11.044
  143    HB3  ALA  21           3HB      ALA  21   3.883 -10.495 -11.265
  144    HA   PRO  22           HA       PRO  22   2.915 -16.431 -12.271
  145    HB2  PRO  22           2HB      PRO  22   4.681 -17.600 -13.924
  146    HB3  PRO  22           1HB      PRO  22   3.212 -16.825 -14.521
  147    HG2  PRO  22           2HG      PRO  22   6.010 -15.770 -14.455
  148    HG3  PRO  22           1HG      PRO  22   4.813 -15.680 -15.761
  149    HD2  PRO  22           2HD      PRO  22   5.317 -13.623 -14.039
  150    HD3  PRO  22           1HD      PRO  22   3.747 -13.877 -14.824
  151    H    ALA  23           H        ALA  23   5.819 -14.745 -11.766
  152    HA   ALA  23           HA       ALA  23   6.729 -16.810  -9.881
  153    HB1  ALA  23           1HB      ALA  23   8.057 -16.182 -12.266
  154    HB2  ALA  23           2HB      ALA  23   8.668 -17.138 -10.917
  155    HB3  ALA  23           3HB      ALA  23   8.982 -15.404 -10.981
  156    H    CYS  24           H        CYS  24   8.003 -15.971  -8.097
  157    HA   CYS  24           HA       CYS  24   6.976 -13.624  -7.015
  158    HB2  CYS  24           2HB      CYS  24   8.292 -15.712  -6.001
  159    HB3  CYS  24           1HB      CYS  24   9.633 -14.575  -6.084
  160    HG   CYS  24           HG       CYS  24   8.069 -14.587  -3.796
  161    H    ASN  25           H        ASN  25   7.400 -11.584  -7.367
  162    HA   ASN  25           HA       ASN  25   9.346 -10.646  -9.161
  163    HB2  ASN  25           2HB      ASN  25   7.675  -9.254  -7.069
  164    HB3  ASN  25           1HB      ASN  25   8.751  -8.384  -8.156
  165   HD21  ASN  25          1HD2      ASN  25   8.394  -8.757 -10.490
  166   HD22  ASN  25          2HD2      ASN  25   6.767  -8.947 -11.040
  167    H    GLY  26           H        GLY  26   9.452 -11.285  -5.739
  168    HA2  GLY  26           2HA      GLY  26  11.847  -9.706  -5.338
  169    HA3  GLY  26           1HA      GLY  26  11.008 -10.656  -4.130
  170    H    CYS  27           H        CYS  27  11.097 -13.190  -4.921
  171    HA   CYS  27           HA       CYS  27  13.983 -13.682  -5.102
  172    HB2  CYS  27           2HB      CYS  27  13.606 -15.755  -3.953
  173    HB3  CYS  27           1HB      CYS  27  12.774 -14.477  -3.075
  174    HG   CYS  27           HG       CYS  27  10.916 -16.094  -3.168
  175    H    GLY  28           H        GLY  28  11.352 -13.790  -7.134
  176    HA2  GLY  28           2HA      GLY  28  11.166 -14.645  -9.248
  177    HA3  GLY  28           1HA      GLY  28  12.809 -15.240  -9.090
  178    H    CYS  29           H        CYS  29  10.817 -16.379  -6.582
  179    HA   CYS  29           HA       CYS  29  10.996 -19.051  -7.578
  180    HB2  CYS  29           2HB      CYS  29  10.055 -19.762  -5.545
  181    HB3  CYS  29           1HB      CYS  29  10.984 -18.332  -5.116
  182    HG   CYS  29           HG       CYS  29   8.873 -17.086  -4.598
  183    H    VAL  30           H        VAL  30   9.415 -20.394  -8.349
  184    HA   VAL  30           HA       VAL  30   7.269 -19.078  -9.750
  185    HB   VAL  30           HB       VAL  30   7.391 -22.032  -9.687
  186   HG11  VAL  30          1HG1      VAL  30   6.790 -19.873 -11.643
  187   HG12  VAL  30          2HG1      VAL  30   5.847 -21.299 -11.210
  188   HG13  VAL  30          3HG1      VAL  30   7.270 -21.461 -12.239
  189   HG21  VAL  30          1HG2      VAL  30   9.598 -20.293 -10.735
  190   HG22  VAL  30          2HG2      VAL  30   9.253 -21.867 -11.452
  191   HG23  VAL  30          3HG2      VAL  30   9.709 -21.754  -9.753
  192    H    PHE  31           H        PHE  31   5.131 -19.167  -9.353
  193    HA   PHE  31           HA       PHE  31   4.284 -20.105  -6.748
  194    HB2  PHE  31           2HB      PHE  31   2.711 -18.756  -8.957
  195    HB3  PHE  31           1HB      PHE  31   2.112 -19.087  -7.333
  196    HD1  PHE  31           1HD      PHE  31   3.201 -17.946  -5.384
  197    HD2  PHE  31           2HD      PHE  31   3.981 -16.842  -9.417
  198    HE1  PHE  31           1HE      PHE  31   4.081 -15.780  -4.616
  199    HE2  PHE  31           2HE      PHE  31   4.862 -14.674  -8.659
  200    HZ   PHE  31           HZ       PHE  31   4.914 -14.141  -6.255
  201    H    THR  32           H        THR  32   3.122 -21.836  -6.314
  202    HA   THR  32           HA       THR  32   2.135 -23.487  -8.542
  203    HB   THR  32           HB       THR  32   2.869 -25.487  -7.431
  204    HG1  THR  32           1HG      THR  32   4.154 -24.075  -5.397
  205   HG21  THR  32          1HG2      THR  32   4.698 -23.527  -8.304
  206   HG22  THR  32          2HG2      THR  32   4.901 -25.279  -8.261
  207   HG23  THR  32          3HG2      THR  32   5.388 -24.300  -6.876
  208    H    THR  33           H        THR  33   0.626 -25.264  -7.666
  209    HA   THR  33           HA       THR  33  -1.711 -24.144  -6.729
  210    HB   THR  33           HB       THR  33  -2.480 -26.422  -6.308
  211    HG1  THR  33           1HG      THR  33   0.182 -27.261  -6.773
  212   HG21  THR  33          1HG2      THR  33  -2.669 -26.735  -8.481
  213   HG22  THR  33          2HG2      THR  33  -0.987 -27.259  -8.569
  214   HG23  THR  33          3HG2      THR  33  -1.390 -25.552  -8.758
  215    H    THR  34           H        THR  34   0.849 -25.697  -4.802
  216    HA   THR  34           HA       THR  34  -0.659 -25.461  -2.380
  217    HB   THR  34           HB       THR  34   1.361 -26.238  -1.253
  218    HG1  THR  34           1HG      THR  34   2.606 -25.813  -3.763
  219   HG21  THR  34          1HG2      THR  34   1.813 -27.989  -3.457
  220   HG22  THR  34          2HG2      THR  34   0.086 -27.671  -3.299
  221   HG23  THR  34          3HG2      THR  34   0.995 -28.306  -1.927
  222    H    VAL  35           H        VAL  35   1.552 -23.383  -4.104
  223    HA   VAL  35           HA       VAL  35   1.855 -21.656  -1.768
  224    HB   VAL  35           HB       VAL  35   3.020 -21.499  -4.537
  225   HG11  VAL  35          1HG1      VAL  35   3.054 -19.532  -2.288
  226   HG12  VAL  35          2HG1      VAL  35   2.790 -19.257  -4.010
  227   HG13  VAL  35          3HG1      VAL  35   4.407 -19.629  -3.414
  228   HG21  VAL  35          1HG2      VAL  35   4.627 -22.770  -3.682
  229   HG22  VAL  35          2HG2      VAL  35   3.852 -22.743  -2.097
  230   HG23  VAL  35          3HG2      VAL  35   4.994 -21.473  -2.544
  231    H    ARG  36           H        ARG  36   0.326 -20.304  -1.353
  232    HA   ARG  36           HA       ARG  36  -1.597 -19.390  -3.273
  233    HB2  ARG  36           2HB      ARG  36  -1.042 -18.514  -0.431
  234    HB3  ARG  36           1HB      ARG  36  -2.409 -17.969  -1.395
  235    HG2  ARG  36           2HG      ARG  36  -3.160 -20.328  -1.568
  236    HG3  ARG  36           1HG      ARG  36  -1.853 -20.780  -0.471
  237    HD2  ARG  36           2HD      ARG  36  -4.142 -18.910   0.126
  238    HD3  ARG  36           1HD      ARG  36  -3.925 -20.540   0.760
  239    HE   ARG  36           HE       ARG  36  -1.738 -18.780   1.363
  240   HH11  ARG  36          1HH1      ARG  36  -4.893 -19.861   2.360
  241   HH12  ARG  36          2HH1      ARG  36  -4.663 -19.423   4.020
  242   HH21  ARG  36          1HH2      ARG  36  -1.423 -18.198   3.548
  243   HH22  ARG  36          2HH2      ARG  36  -2.691 -18.477   4.695
  244    H    ARG  37           H        ARG  37  -1.810 -17.392  -4.183
  245    HA   ARG  37           HA       ARG  37   0.647 -15.875  -4.453
  246    HB2  ARG  37           2HB      ARG  37  -0.814 -16.494  -6.398
  247    HB3  ARG  37           1HB      ARG  37  -2.028 -15.390  -5.768
  248    HG2  ARG  37           2HG      ARG  37  -0.437 -13.537  -5.990
  249    HG3  ARG  37           1HG      ARG  37   0.746 -14.659  -6.667
  250    HD2  ARG  37           2HD      ARG  37  -1.974 -14.108  -7.832
  251    HD3  ARG  37           1HD      ARG  37  -0.476 -13.370  -8.390
  252    HE   ARG  37           HE       ARG  37   0.126 -15.374  -9.381
  253   HH11  ARG  37          1HH1      ARG  37  -2.779 -15.776  -7.496
  254   HH12  ARG  37          2HH1      ARG  37  -3.140 -17.336  -8.155
  255   HH21  ARG  37          1HH2      ARG  37  -0.345 -17.424 -10.251
  256   HH22  ARG  37          2HH2      ARG  37  -1.758 -18.273  -9.720
  257    H    HIS  38           H        HIS  38   0.954 -13.748  -3.829
  258    HA   HIS  38           HA       HIS  38  -1.236 -12.375  -2.475
  259    HB2  HIS  38           2HB      HIS  38   1.437 -12.897  -1.160
  260    HB3  HIS  38           1HB      HIS  38   0.151 -11.891  -0.502
  261    HD1  HIS  38           1HD      HIS  38  -2.216 -13.312  -0.171
  262    HD2  HIS  38           2HD      HIS  38   1.350 -15.444  -0.264
  263    HE1  HIS  38           1HE      HIS  38  -2.733 -15.533   0.892
  264    HE2  HIS  38           2HE      HIS  38  -0.571 -16.822   0.786
  265    H    HIS  39           H        HIS  39  -0.542 -10.131  -1.794
  266    HA   HIS  39           HA       HIS  39   1.391  -9.007  -3.720
  267    HB2  HIS  39           2HB      HIS  39  -1.298  -7.830  -2.989
  268    HB3  HIS  39           1HB      HIS  39  -0.113  -7.099  -4.066
  269    HD1  HIS  39           1HD      HIS  39   0.321  -8.412  -6.357
  270    HD2  HIS  39           2HD      HIS  39  -3.010  -9.603  -4.176
  271    HE1  HIS  39           1HE      HIS  39  -1.101  -9.725  -7.963
  272    HE2  HIS  39           2HE      HIS  39  -3.147 -10.370  -6.643
  273    H    CYS  40           H        CYS  40   2.542  -7.177  -3.070
  274    HA   CYS  40           HA       CYS  40   2.700  -6.753  -0.183
  275    HB2  CYS  40           2HB      CYS  40   4.808  -7.131  -1.310
  276    HB3  CYS  40           1HB      CYS  40   4.436  -5.904  -2.516
  277    HG   CYS  40           HG       CYS  40   5.334  -4.175  -1.033
  278    H    ARG  41           H        ARG  41   2.143  -4.854   0.783
  279    HA   ARG  41           HA       ARG  41   0.314  -3.163  -0.577
  280    HB2  ARG  41           2HB      ARG  41   1.564  -2.865   2.156
  281    HB3  ARG  41           1HB      ARG  41   0.186  -1.947   1.564
  282    HG2  ARG  41           2HG      ARG  41   0.214  -4.945   1.812
  283    HG3  ARG  41           1HG      ARG  41  -0.387  -3.855   3.063
  284    HD2  ARG  41           2HD      ARG  41  -1.417  -3.959   0.232
  285    HD3  ARG  41           1HD      ARG  41  -2.172  -4.769   1.603
  286    HE   ARG  41           HE       ARG  41  -1.844  -2.019   2.157
  287   HH11  ARG  41          1HH1      ARG  41  -3.761  -4.207   0.243
  288   HH12  ARG  41          2HH1      ARG  41  -5.145  -3.166   0.202
  289   HH21  ARG  41          1HH2      ARG  41  -3.658  -0.639   2.110
  290   HH22  ARG  41          2HH2      ARG  41  -5.086  -1.134   1.263
  291    H    ASN  42           H        ASN  42   3.645  -3.089  -0.567
  292    HA   ASN  42           HA       ASN  42   3.783  -0.171  -0.795
  293    HB2  ASN  42           2HB      ASN  42   5.887  -2.294  -0.403
  294    HB3  ASN  42           1HB      ASN  42   6.300  -0.639  -0.826
  295   HD21  ASN  42          1HD2      ASN  42   6.303  -2.608   1.651
  296   HD22  ASN  42          2HD2      ASN  42   5.911  -1.532   2.944
  297    H    CYS  43           H        CYS  43   5.482  -2.827  -2.460
  298    HA   CYS  43           HA       CYS  43   5.714  -1.250  -4.830
  299    HB2  CYS  43           2HB      CYS  43   6.830  -3.218  -5.784
  300    HB3  CYS  43           1HB      CYS  43   7.477  -2.808  -4.200
  301    HG   CYS  43           HG       CYS  43   5.819  -4.841  -3.355
  302    H    GLY  44           H        GLY  44   3.431  -3.580  -3.684
  303    HA2  GLY  44           2HA      GLY  44   1.398  -4.193  -4.583
  304    HA3  GLY  44           1HA      GLY  44   1.696  -3.061  -5.894
  305    H    TYR  45           H        TYR  45   4.078  -5.456  -5.240
  306    HA   TYR  45           HA       TYR  45   3.407  -6.782  -7.763
  307    HB2  TYR  45           2HB      TYR  45   5.928  -6.966  -6.103
  308    HB3  TYR  45           1HB      TYR  45   5.677  -7.701  -7.679
  309    HD1  TYR  45           2HD      TYR  45   4.259  -5.404  -9.018
  310    HD2  TYR  45           1HD      TYR  45   7.736  -5.524  -6.572
  311    HE1  TYR  45           2HE      TYR  45   5.089  -3.365 -10.110
  312    HE2  TYR  45           1HE      TYR  45   8.577  -3.483  -7.657
  313    HH   TYR  45           HH       TYR  45   7.376  -2.288 -10.510
  314    H    VAL  46           H        VAL  46   3.652  -9.116  -7.878
  315    HA   VAL  46           HA       VAL  46   2.173 -10.338  -5.759
  316    HB   VAL  46           HB       VAL  46   3.423 -11.599  -8.207
  317   HG11  VAL  46          1HG1      VAL  46   3.051 -13.192  -6.355
  318   HG12  VAL  46          2HG1      VAL  46   2.030 -13.520  -7.757
  319   HG13  VAL  46          3HG1      VAL  46   1.350 -12.729  -6.334
  320   HG21  VAL  46          1HG2      VAL  46   0.875 -10.199  -7.695
  321   HG22  VAL  46          2HG2      VAL  46   0.767 -11.685  -8.636
  322   HG23  VAL  46          3HG2      VAL  46   1.797 -10.366  -9.188
  323    H    LEU  47           H        LEU  47   2.895 -11.480  -4.072
  324    HA   LEU  47           HA       LEU  47   5.654 -12.496  -4.118
  325    HB2  LEU  47           2HB      LEU  47   4.341 -10.879  -1.937
  326    HB3  LEU  47           1HB      LEU  47   5.745 -11.882  -1.644
  327    HG   LEU  47           HG       LEU  47   6.324  -9.515  -1.916
  328   HD11  LEU  47          1HD1      LEU  47   8.254 -10.356  -2.574
  329   HD12  LEU  47          2HD1      LEU  47   7.702 -10.208  -4.242
  330   HD13  LEU  47          3HD1      LEU  47   7.450 -11.713  -3.359
  331   HD21  LEU  47          1HD2      LEU  47   5.917  -9.484  -4.807
  332   HD22  LEU  47          2HD2      LEU  47   5.663  -8.220  -3.604
  333   HD23  LEU  47          3HD2      LEU  47   4.429  -9.455  -3.860
  334    H    CYS  48           H        CYS  48   5.927 -14.470  -3.188
  335    HA   CYS  48           HA       CYS  48   3.562 -15.983  -2.533
  336    HB2  CYS  48           2HB      CYS  48   5.001 -17.902  -2.416
  337    HB3  CYS  48           1HB      CYS  48   5.571 -16.927  -3.769
  338    HG   CYS  48           HG       CYS  48   7.623 -16.236  -2.393
  339    H    GLY  49           H        GLY  49   3.873 -17.480  -0.408
  340    HA2  GLY  49           2HA      GLY  49   3.534 -15.809   1.775
  341    HA3  GLY  49           1HA      GLY  49   3.943 -17.516   1.887
  342    H    ASP  50           H        ASP  50   6.415 -17.722   0.971
  343    HA   ASP  50           HA       ASP  50   8.038 -16.902   3.070
  344    HB2  ASP  50           2HB      ASP  50   8.693 -17.818   0.274
  345    HB3  ASP  50           1HB      ASP  50   9.935 -17.495   1.476
  346    H    CYS  51           H        CYS  51   7.440 -15.296   0.017
  347    HA   CYS  51           HA       CYS  51   9.468 -13.294   0.572
  348    HB2  CYS  51           2HB      CYS  51   7.787 -14.012  -1.760
  349    HB3  CYS  51           1HB      CYS  51   8.262 -12.322  -1.620
  350    HG   CYS  51           HG       CYS  51  10.741 -13.871  -1.330
  351    H    SER  52           H        SER  52   6.417 -13.802   1.637
  352    HA   SER  52           HA       SER  52   5.991 -10.937   2.087
  353    HB2  SER  52           2HB      SER  52   3.634 -11.129   1.703
  354    HB3  SER  52           1HB      SER  52   4.431 -11.867   0.314
  355    HG   SER  52           HG       SER  52   2.721 -13.162   1.119
  356    H    ARG  53           H        ARG  53   7.228 -13.083   3.655
  357    HA   ARG  53           HA       ARG  53   5.330 -13.663   5.761
  358    HB2  ARG  53           2HB      ARG  53   8.244 -14.348   5.391
  359    HB3  ARG  53           1HB      ARG  53   7.372 -14.711   6.876
  360    HG2  ARG  53           2HG      ARG  53   5.746 -16.013   5.467
  361    HG3  ARG  53           1HG      ARG  53   6.865 -15.790   4.124
  362    HD2  ARG  53           2HD      ARG  53   7.493 -17.136   6.743
  363    HD3  ARG  53           1HD      ARG  53   7.216 -17.944   5.200
  364    HE   ARG  53           HE       ARG  53   9.257 -16.222   4.686
  365   HH11  ARG  53          1HH1      ARG  53   8.718 -18.714   7.059
  366   HH12  ARG  53          2HH1      ARG  53  10.394 -19.136   7.184
  367   HH21  ARG  53          1HH2      ARG  53  11.463 -16.771   4.843
  368   HH22  ARG  53          2HH2      ARG  53  11.955 -18.030   5.926
  369    H    HIS  54           H        HIS  54   7.533 -11.139   5.012
  370    HA   HIS  54           HA       HIS  54   8.036 -10.407   7.751
  371    HB2  HIS  54           2HB      HIS  54   8.578  -8.994   5.135
  372    HB3  HIS  54           1HB      HIS  54   8.998  -8.316   6.699
  373    HD1  HIS  54           1HD      HIS  54  10.910  -9.517   8.030
  374    HD2  HIS  54           2HD      HIS  54  10.296 -10.955   4.180
  375    HE1  HIS  54           1HE      HIS  54  12.941 -10.900   7.499
  376    HE2  HIS  54           2HE      HIS  54  12.528 -11.797   5.180
  377    H    ARG  55           H        ARG  55   7.483  -8.185   8.511
  378    HA   ARG  55           HA       ARG  55   4.975  -7.157   7.424
  379    HB2  ARG  55           2HB      ARG  55   5.338  -7.803  10.357
  380    HB3  ARG  55           1HB      ARG  55   3.916  -7.081   9.612
  381    HG2  ARG  55           2HG      ARG  55   3.567  -9.129   8.311
  382    HG3  ARG  55           1HG      ARG  55   4.965  -9.857   9.105
  383    HD2  ARG  55           2HD      ARG  55   3.056 -10.649  10.258
  384    HD3  ARG  55           1HD      ARG  55   3.793  -9.430  11.296
  385    HE   ARG  55           HE       ARG  55   1.906  -8.099   9.796
  386   HH11  ARG  55          1HH1      ARG  55   1.940 -10.744  12.062
  387   HH12  ARG  55          2HH1      ARG  55   0.334 -10.445  12.635
  388   HH21  ARG  55          1HH2      ARG  55  -0.214  -7.698  10.542
  389   HH22  ARG  55          2HH2      ARG  55  -0.891  -8.714  11.771
  390    H    ALA  56           H        ALA  56   4.806  -4.996   7.518
  391    HA   ALA  56           HA       ALA  56   6.356  -3.417   9.380
  392    HB1  ALA  56           1HB      ALA  56   7.119  -3.558   6.485
  393    HB2  ALA  56           2HB      ALA  56   8.146  -3.694   7.912
  394    HB3  ALA  56           3HB      ALA  56   7.466  -2.130   7.462
  395    H    ALA  57           H        ALA  57   5.837  -1.153   9.345
  396    HA   ALA  57           HA       ALA  57   3.180  -0.641   8.261
  397    HB1  ALA  57           1HB      ALA  57   4.070  -0.069  10.672
  398    HB2  ALA  57           2HB      ALA  57   2.966   1.025   9.839
  399    HB3  ALA  57           3HB      ALA  57   4.696   1.369   9.866
  400    H    ILE  58           H        ILE  58   2.752   1.287   6.994
  401    HA   ILE  58           HA       ILE  58   5.122   2.368   5.638
  402    HB   ILE  58           HB       ILE  58   2.584   1.931   4.126
  403   HG12  ILE  58          2HG1      ILE  58   4.725  -0.175   4.515
  404   HG13  ILE  58          1HG1      ILE  58   3.117  -0.231   5.229
  405   HG21  ILE  58          1HG2      ILE  58   4.506   3.252   3.231
  406   HG22  ILE  58          2HG2      ILE  58   4.053   1.869   2.238
  407   HG23  ILE  58          3HG2      ILE  58   5.472   1.778   3.277
  408   HD11  ILE  58          1HD1      ILE  58   3.879  -1.338   2.835
  409   HD12  ILE  58          2HD1      ILE  58   3.039   0.137   2.354
  410   HD13  ILE  58          3HD1      ILE  58   2.224  -1.052   3.370
  411    HA   PRO  59           HA       PRO  59   2.478   5.766   7.338
  412    HB2  PRO  59           2HB      PRO  59   4.586   7.383   7.947
  413    HB3  PRO  59           1HB      PRO  59   3.947   6.150   9.036
  414    HG2  PRO  59           2HG      PRO  59   6.307   6.004   7.197
  415    HG3  PRO  59           1HG      PRO  59   6.160   5.446   8.875
  416    HD2  PRO  59           2HD      PRO  59   5.983   3.745   6.801
  417    HD3  PRO  59           1HD      PRO  59   5.009   3.530   8.271
  418    H    MET  60           H        MET  60   4.561   5.490   4.622
  419    HA   MET  60           HA       MET  60   4.112   8.247   3.781
  420    HB2  MET  60           2HB      MET  60   5.505   5.920   2.435
  421    HB3  MET  60           1HB      MET  60   5.396   7.543   1.768
  422    HG2  MET  60           2HG      MET  60   6.609   8.385   3.760
  423    HG3  MET  60           1HG      MET  60   6.816   6.716   4.287
  424    HE1  MET  60           1HE      MET  60   8.637   8.519   0.461
  425    HE2  MET  60           2HE      MET  60   8.203   9.534   1.837
  426    HE3  MET  60           3HE      MET  60   6.950   8.656   0.960
  427    H    ARG  61           H        ARG  61   3.153   4.972   3.087
  428    HA   ARG  61           HA       ARG  61   1.415   5.704   0.893
  429    HB2  ARG  61           2HB      ARG  61   1.608   3.070   2.354
  430    HB3  ARG  61           1HB      ARG  61   0.908   3.350   0.766
  431    HG2  ARG  61           2HG      ARG  61   3.811   3.709   1.481
  432    HG3  ARG  61           1HG      ARG  61   3.127   2.321   0.634
  433    HD2  ARG  61           2HD      ARG  61   2.905   5.149  -0.372
  434    HD3  ARG  61           1HD      ARG  61   4.230   4.070  -0.807
  435    HE   ARG  61           HE       ARG  61   1.579   3.025  -1.301
  436   HH11  ARG  61          1HH1      ARG  61   4.305   4.779  -2.582
  437   HH12  ARG  61          2HH1      ARG  61   3.905   4.448  -4.234
  438   HH21  ARG  61          1HH2      ARG  61   1.047   2.585  -3.474
  439   HH22  ARG  61          2HH2      ARG  61   2.054   3.202  -4.741
  440    H    GLY  62           H        GLY  62   1.207   6.124   4.094
  441    HA2  GLY  62           2HA      GLY  62  -0.690   7.012   5.194
  442    HA3  GLY  62           1HA      GLY  62  -1.718   6.200   4.024
  443    H    ILE  63           H        ILE  63   0.660   4.098   5.081
  444    HA   ILE  63           HA       ILE  63  -1.254   2.738   6.817
  445    HB   ILE  63           HB       ILE  63   1.360   1.783   5.634
  446   HG12  ILE  63          2HG1      ILE  63  -1.467   1.055   4.848
  447   HG13  ILE  63          1HG1      ILE  63  -0.492   2.257   4.008
  448   HG21  ILE  63          1HG2      ILE  63  -0.731   0.371   7.266
  449   HG22  ILE  63          2HG2      ILE  63   0.998   0.515   7.585
  450   HG23  ILE  63          3HG2      ILE  63   0.429  -0.487   6.249
  451   HD11  ILE  63          1HD1      ILE  63   0.699  -0.421   4.358
  452   HD12  ILE  63          2HD1      ILE  63   0.799   0.704   3.001
  453   HD13  ILE  63          3HD1      ILE  63  -0.650  -0.276   3.232
  454    H    THR  64           H        THR  64  -1.108   3.564   8.838
  455    HA   THR  64           HA       THR  64   1.482   4.222   9.975
  456    HB   THR  64           HB       THR  64   0.168   5.023  11.915
  457    HG1  THR  64           1HG      THR  64  -2.091   4.317  10.358
  458   HG21  THR  64          1HG2      THR  64  -0.714   6.943  10.933
  459   HG22  THR  64          2HG2      THR  64  -1.111   6.104   9.433
  460   HG23  THR  64          3HG2      THR  64   0.575   6.440   9.839
  461    H    GLU  65           H        GLU  65  -0.674   1.569   9.946
  462    HA   GLU  65           HA       GLU  65   0.581   0.417  12.339
  463    HB2  GLU  65           2HB      GLU  65  -1.791  -0.633  10.782
  464    HB3  GLU  65           1HB      GLU  65  -1.220  -1.201  12.345
  465    HG2  GLU  65           2HG      GLU  65  -2.426   1.491  11.750
  466    HG3  GLU  65           1HG      GLU  65  -3.195   0.158  12.612
  467    HA   PRO  66           HA       PRO  66   3.230  -2.039   9.851
  468    HB2  PRO  66           2HB      PRO  66   2.710  -4.255  11.767
  469    HB3  PRO  66           1HB      PRO  66   4.246  -3.530  11.283
  470    HG2  PRO  66           2HG      PRO  66   3.168  -3.027  13.681
  471    HG3  PRO  66           1HG      PRO  66   4.047  -1.779  12.780
  472    HD2  PRO  66           2HD      PRO  66   1.106  -2.131  13.158
  473    HD3  PRO  66           1HD      PRO  66   2.062  -0.637  13.062
  474    H    GLU  67           H        GLU  67   2.711  -2.937   8.005
  475    HA   GLU  67           HA       GLU  67   0.543  -4.923   7.921
  476    HB2  GLU  67           2HB      GLU  67   1.195  -2.805   5.862
  477    HB3  GLU  67           1HB      GLU  67  -0.019  -4.055   5.666
  478    HG2  GLU  67           2HG      GLU  67  -0.046  -1.893   7.751
  479    HG3  GLU  67           1HG      GLU  67  -1.018  -1.930   6.283
  480    H    ARG  68           H        ARG  68   0.667  -6.309   5.924
  481    HA   ARG  68           HA       ARG  68   3.225  -7.532   5.816
  482    HB2  ARG  68           2HB      ARG  68   2.205  -9.096   4.257
  483    HB3  ARG  68           1HB      ARG  68   1.163  -8.814   5.647
  484    HG2  ARG  68           2HG      ARG  68  -0.092  -7.155   4.226
  485    HG3  ARG  68           1HG      ARG  68   0.840  -7.754   2.852
  486    HD2  ARG  68           2HD      ARG  68   0.005 -10.034   3.340
  487    HD3  ARG  68           1HD      ARG  68  -0.999  -9.360   4.623
  488    HE   ARG  68           HE       ARG  68  -1.472  -8.074   2.125
  489   HH11  ARG  68          1HH1      ARG  68  -2.176 -10.937   3.975
  490   HH12  ARG  68          2HH1      ARG  68  -3.680 -11.246   3.174
  491   HH21  ARG  68          1HH2      ARG  68  -3.451  -8.469   1.058
  492   HH22  ARG  68          2HH2      ARG  68  -4.404  -9.842   1.513
  493    H    VAL  69           H        VAL  69   4.775  -7.488   4.367
  494    HA   VAL  69           HA       VAL  69   4.456  -6.113   1.805
  495    HB   VAL  69           HB       VAL  69   6.520  -4.822   2.120
  496   HG11  VAL  69          1HG1      VAL  69   5.572  -3.180   3.814
  497   HG12  VAL  69          2HG1      VAL  69   4.237  -4.317   4.002
  498   HG13  VAL  69          3HG1      VAL  69   4.556  -3.582   2.428
  499   HG21  VAL  69          1HG2      VAL  69   7.790  -5.910   3.725
  500   HG22  VAL  69          2HG2      VAL  69   6.429  -6.077   4.837
  501   HG23  VAL  69          3HG2      VAL  69   7.194  -4.503   4.609
  502    H    CYS  70           H        CYS  70   6.822  -6.226   0.737
  503    HA   CYS  70           HA       CYS  70   7.585  -9.043   0.905
  504    HB2  CYS  70           2HB      CYS  70   8.256  -8.952  -1.297
  505    HB3  CYS  70           1HB      CYS  70   6.946  -7.784  -1.304
  506    HG   CYS  70           HG       CYS  70   8.606  -5.898  -1.561
  507    H    ASP  71           H        ASP  71  10.152  -8.927  -0.096
  508    HA   ASP  71           HA       ASP  71  11.551  -8.082   2.270
  509    HB2  ASP  71           2HB      ASP  71  12.562  -9.294  -0.311
  510    HB3  ASP  71           1HB      ASP  71  13.573  -8.978   1.095
  511    H    ALA  72           H        ALA  72  11.559  -6.939  -1.101
  512    HA   ALA  72           HA       ALA  72  13.607  -5.022  -0.681
  513    HB1  ALA  72           1HB      ALA  72  11.877  -5.823  -2.843
  514    HB2  ALA  72           2HB      ALA  72  13.477  -5.085  -2.896
  515    HB3  ALA  72           3HB      ALA  72  12.042  -4.068  -2.776
  516    H    CYS  73           H        CYS  73  10.068  -4.719  -0.679
  517    HA   CYS  73           HA       CYS  73  10.001  -1.939  -0.224
  518    HB2  CYS  73           2HB      CYS  73   7.934  -3.987   0.609
  519    HB3  CYS  73           1HB      CYS  73   7.672  -2.260   0.371
  520    HG   CYS  73           HG       CYS  73   8.209  -2.726  -2.220
  521    H    TYR  74           H        TYR  74  10.050  -4.714   1.964
  522    HA   TYR  74           HA       TYR  74   9.628  -3.343   4.366
  523    HB2  TYR  74           2HB      TYR  74   9.661  -5.811   4.201
  524    HB3  TYR  74           1HB      TYR  74  11.393  -5.761   3.884
  525    HD1  TYR  74           1HD      TYR  74   8.793  -5.218   6.441
  526    HD2  TYR  74           2HD      TYR  74  12.967  -5.468   5.658
  527    HE1  TYR  74           1HE      TYR  74   9.235  -5.326   8.858
  528    HE2  TYR  74           2HE      TYR  74  13.420  -5.577   8.072
  529    HH   TYR  74           HH       TYR  74  11.868  -4.652  10.280
  530    H    LEU  75           H        LEU  75  12.520  -3.878   2.454
  531    HA   LEU  75           HA       LEU  75  14.330  -2.667   4.297
  532    HB2  LEU  75           2HB      LEU  75  14.454  -3.598   1.466
  533    HB3  LEU  75           1HB      LEU  75  15.735  -2.569   2.073
  534    HG   LEU  75           HG       LEU  75  14.924  -5.146   3.412
  535   HD11  LEU  75          1HD1      LEU  75  15.798  -5.282   0.971
  536   HD12  LEU  75          2HD1      LEU  75  16.487  -6.335   2.207
  537   HD13  LEU  75          3HD1      LEU  75  17.355  -4.885   1.699
  538   HD21  LEU  75          1HD2      LEU  75  17.021  -4.964   4.554
  539   HD22  LEU  75          2HD2      LEU  75  16.147  -3.446   4.754
  540   HD23  LEU  75          3HD2      LEU  75  17.474  -3.553   3.597
  541    H    ALA  76           H        ALA  76  12.984  -1.521   1.192
  542    HA   ALA  76           HA       ALA  76  14.202   0.932   1.084
  543    HB1  ALA  76           1HB      ALA  76  12.776   0.025  -0.710
  544    HB2  ALA  76           2HB      ALA  76  12.358   1.691  -0.311
  545    HB3  ALA  76           3HB      ALA  76  11.350   0.365   0.270
  546    H    LEU  77           H        LEU  77  11.151   0.145   2.726
  547    HA   LEU  77           HA       LEU  77  10.758   2.753   3.777
  548    HB2  LEU  77           2HB      LEU  77   9.774   0.062   4.740
  549    HB3  LEU  77           1HB      LEU  77   9.238   1.596   5.396
  550    HG   LEU  77           HG       LEU  77   8.911   0.860   2.490
  551   HD11  LEU  77          1HD1      LEU  77   6.883   0.569   4.699
  552   HD12  LEU  77          2HD1      LEU  77   7.731  -0.762   3.911
  553   HD13  LEU  77          3HD1      LEU  77   6.627   0.252   2.983
  554   HD21  LEU  77          1HD2      LEU  77   8.747   3.202   2.791
  555   HD22  LEU  77          2HD2      LEU  77   7.781   3.020   4.255
  556   HD23  LEU  77          3HD2      LEU  77   7.090   2.605   2.685
  557    H    ARG  78           H        ARG  78  12.324  -0.162   4.910
  558    HA   ARG  78           HA       ARG  78  13.010   0.542   7.500
  559    HB2  ARG  78           2HB      ARG  78  13.245  -1.706   6.449
  560    HB3  ARG  78           1HB      ARG  78  14.638  -1.113   5.562
  561    HG2  ARG  78           2HG      ARG  78  15.708  -0.622   7.778
  562    HG3  ARG  78           1HG      ARG  78  14.362  -1.488   8.520
  563    HD2  ARG  78           2HD      ARG  78  14.928  -3.454   7.103
  564    HD3  ARG  78           1HD      ARG  78  16.362  -2.586   6.557
  565    HE   ARG  78           HE       ARG  78  16.468  -2.592   9.316
  566   HH11  ARG  78          1HH1      ARG  78  16.415  -4.950   6.756
  567   HH12  ARG  78          2HH1      ARG  78  17.330  -6.125   7.641
  568   HH21  ARG  78          1HH2      ARG  78  17.675  -4.133  10.493
  569   HH22  ARG  78          2HH2      ARG  78  18.046  -5.660   9.766
  570    H    SER  79           H        SER  79  14.221   1.790   4.520
  571    HA   SER  79           HA       SER  79  16.838   2.486   5.276
  572    HB2  SER  79           2HB      SER  79  16.814   3.978   3.390
  573    HB3  SER  79           1HB      SER  79  15.905   2.536   2.941
  574    HG   SER  79           HG       SER  79  14.201   4.237   4.031
  575    H    SER  80           H        SER  80  13.745   3.907   5.981
  576    HA   SER  80           HA       SER  80  14.582   6.493   6.697
  577    HB2  SER  80           2HB      SER  80  12.249   4.886   7.767
  578    HB3  SER  80           1HB      SER  80  12.457   6.628   7.941
  579    HG   SER  80           HG       SER  80  12.032   6.910   5.848
  580    H    ASN  81           H        ASN  81  14.842   7.420   8.804
  581    HA   ASN  81           HA       ASN  81  16.289   5.640  10.600
  582    HB2  ASN  81           2HB      ASN  81  16.005   8.652  10.552
  583    HB3  ASN  81           1HB      ASN  81  16.960   7.764  11.736
  584   HD21  ASN  81          1HD2      ASN  81  18.074   9.695  10.127
  585   HD22  ASN  81          2HD2      ASN  81  19.166   8.953   9.014
  586    H    MET  82           H        MET  82  15.651   5.102  12.620
  587    HA   MET  82           HA       MET  82  12.895   5.595  13.319
  588    HB2  MET  82           2HB      MET  82  15.075   4.022  14.695
  589    HB3  MET  82           1HB      MET  82  13.415   4.107  15.264
  590    HG2  MET  82           2HG      MET  82  12.678   3.147  13.100
  591    HG3  MET  82           1HG      MET  82  14.372   2.954  12.655
  592    HE1  MET  82           1HE      MET  82  15.516   0.918  15.810
  593    HE2  MET  82           2HE      MET  82  15.881   2.284  14.757
  594    HE3  MET  82           3HE      MET  82  15.963   0.639  14.127
  595    H    ALA  83           H        ALA  83  12.140   7.042  14.732
  596    HA   ALA  83           HA       ALA  83  13.779   9.092  15.753
  597    HB1  ALA  83           1HB      ALA  83  11.837  10.043  16.614
  598    HB2  ALA  83           2HB      ALA  83  11.065   8.477  16.867
  599    HB3  ALA  83           3HB      ALA  83  11.256   9.113  15.232
  600    H    GLY  84           H        GLY  84  14.488   9.555  17.828
  601    HA2  GLY  84           2HA      GLY  84  13.890   8.002  20.113
  602    HA3  GLY  84           1HA      GLY  84  15.387   7.427  19.398
  Start of MODEL    2
    1    H1   GLY   1           1HT      GLY   1  11.765  22.702  -7.303
    2    H2   GLY   1           2HT      GLY   1  12.576  21.243  -7.030
    3    H3   GLY   1           3HT      GLY   1  10.904  21.245  -7.287
    4    HA2  GLY   1           1HA      GLY   1  12.067  22.526  -9.470
    5    HA3  GLY   1           2HA      GLY   1  12.968  21.044  -9.183
    6    HA   PRO   2           HA       PRO   2   8.182  19.905  -9.847
    7    HB2  PRO   2           2HB      PRO   2   7.662  22.230 -11.637
    8    HB3  PRO   2           1HB      PRO   2   6.571  21.409 -10.514
    9    HG2  PRO   2           2HG      PRO   2   7.620  23.778  -9.903
   10    HG3  PRO   2           1HG      PRO   2   7.425  22.521  -8.667
   11    HD2  PRO   2           2HD      PRO   2   9.894  23.441 -10.063
   12    HD3  PRO   2           1HD      PRO   2   9.683  22.871  -8.395
   13    H    LEU   3           H        LEU   3   7.579  18.635 -11.586
   14    HA   LEU   3           HA       LEU   3   9.515  18.488 -13.749
   15    HB2  LEU   3           2HB      LEU   3   7.159  16.696 -13.146
   16    HB3  LEU   3           1HB      LEU   3   8.433  16.374 -14.307
   17    HG   LEU   3           HG       LEU   3   8.691  16.458 -11.304
   18   HD11  LEU   3          1HD1      LEU   3   8.109  14.386 -13.143
   19   HD12  LEU   3          2HD1      LEU   3   8.395  14.264 -11.408
   20   HD13  LEU   3          3HD1      LEU   3   9.744  14.119 -12.536
   21   HD21  LEU   3          1HD2      LEU   3  11.089  15.607 -12.106
   22   HD22  LEU   3          2HD2      LEU   3  10.731  17.307 -11.800
   23   HD23  LEU   3          3HD2      LEU   3  10.713  16.685 -13.450
   24    H    GLY   4           H        GLY   4   9.101  18.903 -15.875
   25    HA2  GLY   4           2HA      GLY   4   7.180  20.758 -16.599
   26    HA3  GLY   4           1HA      GLY   4   8.006  19.699 -17.732
   27    H    SER   5           H        SER   5   6.924  17.251 -16.564
   28    HA   SER   5           HA       SER   5   4.116  17.535 -17.415
   29    HB2  SER   5           2HB      SER   5   5.912  15.135 -17.847
   30    HB3  SER   5           1HB      SER   5   4.241  15.297 -18.387
   31    HG   SER   5           HG       SER   5   6.565  16.413 -19.418
   32    H    MET   6           H        MET   6   2.555  16.308 -16.331
   33    HA   MET   6           HA       MET   6   3.476  15.019 -13.847
   34    HB2  MET   6           2HB      MET   6   1.060  16.786 -14.248
   35    HB3  MET   6           1HB      MET   6   1.317  15.796 -12.819
   36    HG2  MET   6           2HG      MET   6   3.426  17.012 -12.407
   37    HG3  MET   6           1HG      MET   6   3.052  18.056 -13.777
   38    HE1  MET   6           1HE      MET   6   2.397  20.524 -10.882
   39    HE2  MET   6           2HE      MET   6   3.311  20.157 -12.345
   40    HE3  MET   6           3HE      MET   6   3.640  19.273 -10.855
   41    H    GLY   7           H        GLY   7   2.164  13.307 -13.035
   42    HA2  GLY   7           2HA      GLY   7   0.124  12.233 -14.830
   43    HA3  GLY   7           1HA      GLY   7   1.554  11.245 -14.565
   44    H    GLU   8           H        GLU   8  -0.282  13.277 -12.303
   45    HA   GLU   8           HA       GLU   8  -0.183  11.324 -10.260
   46    HB2  GLU   8           2HB      GLU   8  -1.918  13.788 -10.522
   47    HB3  GLU   8           1HB      GLU   8  -1.784  12.814  -9.064
   48    HG2  GLU   8           2HG      GLU   8   0.637  13.303  -9.003
   49    HG3  GLU   8           1HG      GLU   8   0.427  14.358 -10.399
   50    H    LYS   9           H        LYS   9  -2.123  11.501 -12.999
   51    HA   LYS   9           HA       LYS   9  -4.564  10.491 -12.015
   52    HB2  LYS   9           2HB      LYS   9  -3.243  10.138 -14.717
   53    HB3  LYS   9           1HB      LYS   9  -4.900   9.674 -14.355
   54    HG2  LYS   9           2HG      LYS   9  -5.415  12.017 -13.807
   55    HG3  LYS   9           1HG      LYS   9  -3.768  12.462 -14.256
   56    HD2  LYS   9           2HD      LYS   9  -4.187  11.578 -16.526
   57    HD3  LYS   9           1HD      LYS   9  -5.856  11.243 -16.063
   58    HE2  LYS   9           2HE      LYS   9  -5.034  13.978 -15.477
   59    HE3  LYS   9           1HE      LYS   9  -4.919  13.577 -17.191
   60    HZ1  LYS   9           1HZ      LYS   9  -7.244  12.750 -17.028
   61    HZ2  LYS   9           2HZ      LYS   9  -7.086  14.415 -16.782
   62    HZ3  LYS   9           3HZ      LYS   9  -7.323  13.386 -15.462
   63    H    GLN  10           H        GLN  10  -1.521   9.213 -11.932
   64    HA   GLN  10           HA       GLN  10  -1.952   6.467 -12.435
   65    HB2  GLN  10           2HB      GLN  10   0.267   7.438 -12.440
   66    HB3  GLN  10           1HB      GLN  10   0.097   7.926 -10.758
   67    HG2  GLN  10           2HG      GLN  10   0.050   5.598 -10.072
   68    HG3  GLN  10           1HG      GLN  10   0.151   5.083 -11.756
   69   HE21  GLN  10          1HE2      GLN  10   2.005   4.108 -10.136
   70   HE22  GLN  10          2HE2      GLN  10   3.535   4.871 -10.386
   71    H    SER  11           H        SER  11  -2.250   4.760 -10.965
   72    HA   SER  11           HA       SER  11  -3.576   5.561  -8.469
   73    HB2  SER  11           2HB      SER  11  -4.737   3.453  -8.541
   74    HB3  SER  11           1HB      SER  11  -4.848   4.179 -10.146
   75    HG   SER  11           HG       SER  11  -4.195   1.842  -9.905
   76    H    LYS  12           H        LYS  12  -3.114   4.497  -6.514
   77    HA   LYS  12           HA       LYS  12  -0.381   3.461  -6.366
   78    HB2  LYS  12           2HB      LYS  12  -2.285   4.390  -4.210
   79    HB3  LYS  12           1HB      LYS  12  -0.661   3.791  -3.910
   80    HG2  LYS  12           2HG      LYS  12   0.220   5.647  -5.309
   81    HG3  LYS  12           1HG      LYS  12  -1.426   6.277  -5.424
   82    HD2  LYS  12           2HD      LYS  12  -1.492   6.384  -2.938
   83    HD3  LYS  12           1HD      LYS  12   0.208   5.912  -2.914
   84    HE2  LYS  12           2HE      LYS  12   0.598   8.120  -2.935
   85    HE3  LYS  12           1HE      LYS  12   0.253   7.995  -4.660
   86    HZ1  LYS  12           1HZ      LYS  12  -1.865   8.523  -2.661
   87    HZ2  LYS  12           2HZ      LYS  12  -1.931   8.744  -4.337
   88    HZ3  LYS  12           3HZ      LYS  12  -0.981   9.771  -3.387
   89    H    GLY  13           H        GLY  13   0.135   1.491  -5.375
   90    HA2  GLY  13           2HA      GLY  13  -0.203  -0.649  -4.583
   91    HA3  GLY  13           1HA      GLY  13  -1.867  -0.205  -4.238
   92    H    TYR  14           H        TYR  14   0.129  -0.599  -7.184
   93    HA   TYR  14           HA       TYR  14  -2.120  -1.613  -8.640
   94    HB2  TYR  14           2HB      TYR  14  -0.381  -0.332  -9.779
   95    HB3  TYR  14           1HB      TYR  14   0.811  -1.564  -9.375
   96    HD1  TYR  14           2HD      TYR  14  -2.188  -0.844 -11.399
   97    HD2  TYR  14           1HD      TYR  14   0.993  -3.569 -10.653
   98    HE1  TYR  14           2HE      TYR  14  -2.737  -2.047 -13.473
   99    HE2  TYR  14           1HE      TYR  14   0.452  -4.776 -12.726
  100    HH   TYR  14           HH       TYR  14  -0.909  -4.924 -14.471
  101    H    TRP  15           H        TRP  15  -2.825  -3.634  -8.659
  102    HA   TRP  15           HA       TRP  15  -1.194  -5.751  -7.475
  103    HB2  TRP  15           2HB      TRP  15  -3.336  -7.093  -7.726
  104    HB3  TRP  15           1HB      TRP  15  -3.410  -5.718  -6.628
  105    HD1  TRP  15           HD       TRP  15  -4.817  -7.002  -9.923
  106    HE1  TRP  15           1HE      TRP  15  -6.749  -5.470 -10.660
  107    HE3  TRP  15           3HE      TRP  15  -4.253  -3.267  -6.476
  108    HZ2  TRP  15           2HZ      TRP  15  -7.881  -3.002  -9.885
  109    HZ3  TRP  15           3HZ      TRP  15  -5.801  -1.356  -6.544
  110    HH2  TRP  15           HH       TRP  15  -7.577  -1.227  -8.215
  111    H    GLN  16           H        GLN  16   0.028  -7.013  -8.719
  112    HA   GLN  16           HA       GLN  16  -0.433  -7.158 -11.587
  113    HB2  GLN  16           2HB      GLN  16   1.878  -6.941 -10.640
  114    HB3  GLN  16           1HB      GLN  16   1.684  -8.528  -9.909
  115    HG2  GLN  16           2HG      GLN  16   1.435  -9.523 -12.125
  116    HG3  GLN  16           1HG      GLN  16   1.634  -7.932 -12.859
  117   HE21  GLN  16          1HE2      GLN  16   3.287  -9.883 -13.649
  118   HE22  GLN  16          2HE2      GLN  16   4.878  -9.642 -13.021
  119    H    GLU  17           H        GLU  17  -1.353  -8.748 -12.636
  120    HA   GLU  17           HA       GLU  17  -2.958 -10.604 -11.330
  121    HB2  GLU  17           2HB      GLU  17  -2.041 -10.532 -14.199
  122    HB3  GLU  17           1HB      GLU  17  -3.333 -11.561 -13.592
  123    HG2  GLU  17           2HG      GLU  17  -4.572  -9.558 -12.894
  124    HG3  GLU  17           1HG      GLU  17  -3.291  -8.552 -13.572
  125    H    ASP  18           H        ASP  18  -2.978 -12.878 -11.378
  126    HA   ASP  18           HA       ASP  18  -0.684 -14.203 -10.483
  127    HB2  ASP  18           2HB      ASP  18  -3.144 -15.344 -11.816
  128    HB3  ASP  18           1HB      ASP  18  -1.963 -16.266 -10.892
  129    H    GLU  19           H        GLU  19  -2.142 -14.091 -13.715
  130    HA   GLU  19           HA       GLU  19  -0.361 -15.916 -14.904
  131    HB2  GLU  19           2HB      GLU  19  -2.104 -13.761 -16.085
  132    HB3  GLU  19           1HB      GLU  19  -1.174 -14.885 -17.065
  133    HG2  GLU  19           2HG      GLU  19  -2.390 -16.756 -16.042
  134    HG3  GLU  19           1HG      GLU  19  -3.343 -15.605 -15.106
  135    H    ASP  20           H        ASP  20  -0.304 -12.366 -14.734
  136    HA   ASP  20           HA       ASP  20   1.997 -12.113 -16.384
  137    HB2  ASP  20           2HB      ASP  20   0.766 -10.201 -14.387
  138    HB3  ASP  20           1HB      ASP  20   2.093  -9.782 -15.465
  139    H    ALA  21           H        ALA  21   1.455 -12.629 -13.009
  140    HA   ALA  21           HA       ALA  21   4.357 -12.505 -12.501
  141    HB1  ALA  21           1HB      ALA  21   3.958 -11.551 -10.517
  142    HB2  ALA  21           2HB      ALA  21   2.649 -12.671 -10.142
  143    HB3  ALA  21           3HB      ALA  21   2.334 -11.246 -11.134
  144    HA   PRO  22           HA       PRO  22   3.105 -16.993 -12.313
  145    HB2  PRO  22           2HB      PRO  22   5.045 -17.925 -13.933
  146    HB3  PRO  22           1HB      PRO  22   3.537 -17.255 -14.568
  147    HG2  PRO  22           2HG      PRO  22   6.215 -15.936 -14.284
  148    HG3  PRO  22           1HG      PRO  22   5.107 -15.920 -15.669
  149    HD2  PRO  22           2HD      PRO  22   5.252 -13.876 -13.900
  150    HD3  PRO  22           1HD      PRO  22   3.743 -14.320 -14.721
  151    H    ALA  23           H        ALA  23   5.889 -15.119 -11.701
  152    HA   ALA  23           HA       ALA  23   6.848 -17.106  -9.767
  153    HB1  ALA  23           1HB      ALA  23   9.042 -17.042 -10.466
  154    HB2  ALA  23           2HB      ALA  23   8.846 -15.496 -11.291
  155    HB3  ALA  23           3HB      ALA  23   8.186 -16.967 -12.007
  156    H    CYS  24           H        CYS  24   8.097 -16.164  -8.012
  157    HA   CYS  24           HA       CYS  24   6.953 -13.799  -7.037
  158    HB2  CYS  24           2HB      CYS  24   8.002 -15.728  -5.730
  159    HB3  CYS  24           1HB      CYS  24   9.552 -14.952  -6.046
  160    HG   CYS  24           HG       CYS  24   8.264 -12.807  -4.806
  161    H    ASN  25           H        ASN  25   7.396 -11.763  -7.364
  162    HA   ASN  25           HA       ASN  25   9.340 -10.839  -9.159
  163    HB2  ASN  25           2HB      ASN  25   7.707  -9.411  -7.058
  164    HB3  ASN  25           1HB      ASN  25   8.765  -8.569  -8.185
  165   HD21  ASN  25          1HD2      ASN  25   5.706  -9.900  -7.685
  166   HD22  ASN  25          2HD2      ASN  25   5.096  -9.729  -9.292
  167    H    GLY  26           H        GLY  26   9.481 -11.468  -5.739
  168    HA2  GLY  26           2HA      GLY  26  11.884  -9.895  -5.372
  169    HA3  GLY  26           1HA      GLY  26  11.072 -10.857  -4.153
  170    H    CYS  27           H        CYS  27  11.156 -13.385  -4.984
  171    HA   CYS  27           HA       CYS  27  14.042 -13.863  -5.217
  172    HB2  CYS  27           2HB      CYS  27  13.636 -16.010  -4.139
  173    HB3  CYS  27           1HB      CYS  27  12.977 -14.693  -3.172
  174    HG   CYS  27           HG       CYS  27  11.380 -16.921  -3.612
  175    H    GLY  28           H        GLY  28  11.442 -13.893  -7.243
  176    HA2  GLY  28           2HA      GLY  28  11.200 -14.754  -9.344
  177    HA3  GLY  28           1HA      GLY  28  12.839 -15.366  -9.210
  178    H    CYS  29           H        CYS  29  10.924 -16.512  -6.665
  179    HA   CYS  29           HA       CYS  29  11.046 -19.179  -7.656
  180    HB2  CYS  29           2HB      CYS  29  10.161 -19.861  -5.606
  181    HB3  CYS  29           1HB      CYS  29  11.029 -18.385  -5.196
  182    HG   CYS  29           HG       CYS  29   7.972 -18.743  -5.143
  183    H    VAL  30           H        VAL  30   9.433 -20.510  -8.426
  184    HA   VAL  30           HA       VAL  30   7.296 -19.144  -9.794
  185    HB   VAL  30           HB       VAL  30   7.384 -22.103  -9.779
  186   HG11  VAL  30          1HG1      VAL  30   7.283 -21.326 -12.353
  187   HG12  VAL  30          2HG1      VAL  30   6.593 -19.905 -11.568
  188   HG13  VAL  30          3HG1      VAL  30   5.863 -21.491 -11.319
  189   HG21  VAL  30          1HG2      VAL  30   9.709 -21.810  -9.892
  190   HG22  VAL  30          2HG2      VAL  30   9.566 -20.367 -10.896
  191   HG23  VAL  30          3HG2      VAL  30   9.196 -21.953 -11.574
  192    H    PHE  31           H        PHE  31   5.156 -19.247  -9.435
  193    HA   PHE  31           HA       PHE  31   4.264 -20.166  -6.837
  194    HB2  PHE  31           2HB      PHE  31   2.807 -18.737  -9.072
  195    HB3  PHE  31           1HB      PHE  31   2.097 -19.117  -7.504
  196    HD1  PHE  31           2HD      PHE  31   3.205 -18.142  -5.433
  197    HD2  PHE  31           1HD      PHE  31   4.049 -16.800  -9.380
  198    HE1  PHE  31           2HE      PHE  31   4.132 -16.053  -4.522
  199    HE2  PHE  31           1HE      PHE  31   4.980 -14.711  -8.477
  200    HZ   PHE  31           HZ       PHE  31   5.021 -14.334  -6.045
  201    H    THR  32           H        THR  32   3.013 -21.857  -6.421
  202    HA   THR  32           HA       THR  32   2.045 -23.480  -8.678
  203    HB   THR  32           HB       THR  32   2.714 -25.508  -7.571
  204    HG1  THR  32           1HG      THR  32   4.114 -25.057  -5.578
  205   HG21  THR  32          1HG2      THR  32   4.792 -25.382  -8.307
  206   HG22  THR  32          2HG2      THR  32   5.246 -24.296  -6.993
  207   HG23  THR  32          3HG2      THR  32   4.572 -23.641  -8.486
  208    H    THR  33           H        THR  33   0.463 -25.206  -7.859
  209    HA   THR  33           HA       THR  33  -1.859 -24.056  -6.969
  210    HB   THR  33           HB       THR  33  -0.997 -26.909  -6.500
  211    HG1  THR  33           1HG      THR  33  -1.562 -27.293  -8.527
  212   HG21  THR  33          1HG2      THR  33  -3.172 -25.955  -5.424
  213   HG22  THR  33          2HG2      THR  33  -3.180 -27.521  -6.237
  214   HG23  THR  33          3HG2      THR  33  -3.797 -26.091  -7.066
  215    H    THR  34           H        THR  34   0.644 -25.584  -4.956
  216    HA   THR  34           HA       THR  34  -0.892 -25.292  -2.574
  217    HB   THR  34           HB       THR  34   1.110 -26.006  -1.390
  218    HG1  THR  34           1HG      THR  34   2.575 -26.055  -3.778
  219   HG21  THR  34          1HG2      THR  34   0.660 -27.480  -3.966
  220   HG22  THR  34          2HG2      THR  34   0.010 -27.850  -2.369
  221   HG23  THR  34          3HG2      THR  34   1.731 -28.059  -2.690
  222    H    VAL  35           H        VAL  35   1.261 -23.162  -4.309
  223    HA   VAL  35           HA       VAL  35   1.433 -21.406  -1.969
  224    HB   VAL  35           HB       VAL  35   2.759 -21.172  -4.662
  225   HG11  VAL  35          1HG1      VAL  35   4.027 -19.327  -3.652
  226   HG12  VAL  35          2HG1      VAL  35   3.037 -19.458  -2.198
  227   HG13  VAL  35          3HG1      VAL  35   2.299 -18.978  -3.727
  228   HG21  VAL  35          1HG2      VAL  35   3.464 -22.522  -2.193
  229   HG22  VAL  35          2HG2      VAL  35   4.689 -21.352  -2.689
  230   HG23  VAL  35          3HG2      VAL  35   4.198 -22.641  -3.791
  231    H    ARG  36           H        ARG  36  -0.142 -20.066  -1.683
  232    HA   ARG  36           HA       ARG  36  -1.905 -19.188  -3.777
  233    HB2  ARG  36           2HB      ARG  36  -1.658 -18.320  -0.891
  234    HB3  ARG  36           1HB      ARG  36  -2.936 -17.811  -1.985
  235    HG2  ARG  36           2HG      ARG  36  -3.620 -20.171  -2.229
  236    HG3  ARG  36           1HG      ARG  36  -2.395 -20.618  -1.039
  237    HD2  ARG  36           2HD      ARG  36  -3.508 -19.038   0.558
  238    HD3  ARG  36           1HD      ARG  36  -4.804 -18.858  -0.623
  239    HE   ARG  36           HE       ARG  36  -4.617 -21.548  -0.251
  240   HH11  ARG  36          1HH1      ARG  36  -5.032 -18.811   1.858
  241   HH12  ARG  36          2HH1      ARG  36  -5.956 -19.686   3.031
  242   HH21  ARG  36          1HH2      ARG  36  -5.840 -22.717   1.291
  243   HH22  ARG  36          2HH2      ARG  36  -6.416 -21.907   2.709
  244    H    ARG  37           H        ARG  37  -2.193 -17.065  -4.526
  245    HA   ARG  37           HA       ARG  37   0.280 -15.591  -4.763
  246    HB2  ARG  37           2HB      ARG  37  -1.269 -15.841  -6.687
  247    HB3  ARG  37           1HB      ARG  37  -2.462 -14.882  -5.822
  248    HG2  ARG  37           2HG      ARG  37  -0.940 -12.975  -5.821
  249    HG3  ARG  37           1HG      ARG  37   0.264 -13.937  -6.677
  250    HD2  ARG  37           2HD      ARG  37  -0.935 -12.498  -8.218
  251    HD3  ARG  37           1HD      ARG  37  -1.279 -14.192  -8.555
  252    HE   ARG  37           HE       ARG  37  -3.370 -13.741  -7.151
  253   HH11  ARG  37          1HH1      ARG  37  -1.837 -11.373  -9.209
  254   HH12  ARG  37          2HH1      ARG  37  -3.299 -10.490  -9.485
  255   HH21  ARG  37          1HH2      ARG  37  -5.288 -12.588  -7.523
  256   HH22  ARG  37          2HH2      ARG  37  -5.259 -11.180  -8.531
  257    H    HIS  38           H        HIS  38   0.757 -13.601  -3.949
  258    HA   HIS  38           HA       HIS  38  -1.214 -12.279  -2.245
  259    HB2  HIS  38           2HB      HIS  38   1.591 -12.972  -1.345
  260    HB3  HIS  38           1HB      HIS  38   0.437 -11.995  -0.442
  261    HD1  HIS  38           1HD      HIS  38  -1.885 -13.354   0.142
  262    HD2  HIS  38           2HD      HIS  38   1.499 -15.609  -0.711
  263    HE1  HIS  38           1HE      HIS  38  -2.334 -15.631   1.110
  264    HE2  HIS  38           2HE      HIS  38  -0.321 -17.010   0.479
  265    H    HIS  39           H        HIS  39  -0.570 -10.061  -1.674
  266    HA   HIS  39           HA       HIS  39   1.315  -8.910  -3.631
  267    HB2  HIS  39           2HB      HIS  39  -1.336  -7.709  -2.812
  268    HB3  HIS  39           1HB      HIS  39  -0.196  -7.036  -3.973
  269    HD1  HIS  39           1HD      HIS  39   0.285  -8.807  -6.072
  270    HD2  HIS  39           2HD      HIS  39  -3.304  -9.124  -4.004
  271    HE1  HIS  39           1HE      HIS  39  -1.256 -10.083  -7.593
  272    HE2  HIS  39           2HE      HIS  39  -3.386 -10.358  -6.274
  273    H    CYS  40           H        CYS  40   2.484  -7.099  -2.992
  274    HA   CYS  40           HA       CYS  40   2.646  -6.672  -0.109
  275    HB2  CYS  40           2HB      CYS  40   4.765  -7.065  -1.186
  276    HB3  CYS  40           1HB      CYS  40   4.406  -5.888  -2.445
  277    HG   CYS  40           HG       CYS  40   4.619  -4.723   0.380
  278    H    ARG  41           H        ARG  41   2.042  -4.776   0.833
  279    HA   ARG  41           HA       ARG  41   0.265  -3.100  -0.605
  280    HB2  ARG  41           2HB      ARG  41   0.114  -3.730   1.827
  281    HB3  ARG  41           1HB      ARG  41   1.411  -2.584   2.132
  282    HG2  ARG  41           2HG      ARG  41  -0.658  -1.529   2.632
  283    HG3  ARG  41           1HG      ARG  41  -0.018  -0.801   1.157
  284    HD2  ARG  41           2HD      ARG  41  -1.492  -2.247  -0.171
  285    HD3  ARG  41           1HD      ARG  41  -2.147  -2.933   1.316
  286    HE   ARG  41           HE       ARG  41  -2.885  -0.473   0.108
  287   HH11  ARG  41          1HH1      ARG  41  -2.430  -2.007   3.204
  288   HH12  ARG  41          2HH1      ARG  41  -3.584  -1.001   4.014
  289   HH21  ARG  41          1HH2      ARG  41  -4.396   0.858   1.167
  290   HH22  ARG  41          2HH2      ARG  41  -4.703   0.626   2.855
  291    H    ASN  42           H        ASN  42   3.574  -3.045  -0.563
  292    HA   ASN  42           HA       ASN  42   3.739  -0.127  -0.777
  293    HB2  ASN  42           2HB      ASN  42   5.844  -2.250  -0.375
  294    HB3  ASN  42           1HB      ASN  42   6.242  -0.577  -0.742
  295   HD21  ASN  42          1HD2      ASN  42   6.243  -2.589   1.689
  296   HD22  ASN  42          2HD2      ASN  42   5.765  -1.560   2.990
  297    H    CYS  43           H        CYS  43   5.482  -2.767  -2.419
  298    HA   CYS  43           HA       CYS  43   5.723  -1.185  -4.785
  299    HB2  CYS  43           2HB      CYS  43   6.917  -3.098  -5.719
  300    HB3  CYS  43           1HB      CYS  43   7.499  -2.723  -4.103
  301    HG   CYS  43           HG       CYS  43   5.782  -4.819  -3.431
  302    H    GLY  44           H        GLY  44   3.463  -3.560  -3.686
  303    HA2  GLY  44           2HA      GLY  44   1.447  -4.182  -4.624
  304    HA3  GLY  44           1HA      GLY  44   1.770  -3.063  -5.939
  305    H    TYR  45           H        TYR  45   4.145  -5.449  -5.221
  306    HA   TYR  45           HA       TYR  45   3.496  -6.805  -7.737
  307    HB2  TYR  45           2HB      TYR  45   6.011  -6.943  -6.069
  308    HB3  TYR  45           1HB      TYR  45   5.773  -7.708  -7.632
  309    HD1  TYR  45           1HD      TYR  45   4.473  -5.587  -9.186
  310    HD2  TYR  45           2HD      TYR  45   7.670  -5.355  -6.390
  311    HE1  TYR  45           1HE      TYR  45   5.297  -3.558 -10.306
  312    HE2  TYR  45           2HE      TYR  45   8.502  -3.326  -7.500
  313    HH   TYR  45           HH       TYR  45   7.164  -1.410  -9.079
  314    H    VAL  46           H        VAL  46   3.760  -9.136  -7.824
  315    HA   VAL  46           HA       VAL  46   2.326 -10.353  -5.651
  316    HB   VAL  46           HB       VAL  46   3.422 -11.552  -8.198
  317   HG11  VAL  46          1HG1      VAL  46   3.362 -13.268  -6.492
  318   HG12  VAL  46          2HG1      VAL  46   2.053 -13.528  -7.646
  319   HG13  VAL  46          3HG1      VAL  46   1.711 -12.825  -6.065
  320   HG21  VAL  46          1HG2      VAL  46   0.744 -10.530  -7.328
  321   HG22  VAL  46          2HG2      VAL  46   0.865 -11.765  -8.580
  322   HG23  VAL  46          3HG2      VAL  46   1.638 -10.196  -8.812
  323    H    LEU  47           H        LEU  47   3.112 -11.495  -3.995
  324    HA   LEU  47           HA       LEU  47   5.881 -12.485  -4.137
  325    HB2  LEU  47           2HB      LEU  47   4.580 -11.023  -1.834
  326    HB3  LEU  47           1HB      LEU  47   6.079 -11.912  -1.693
  327    HG   LEU  47           HG       LEU  47   6.334  -9.444  -1.871
  328   HD11  LEU  47          1HD1      LEU  47   7.641 -11.374  -3.698
  329   HD12  LEU  47          2HD1      LEU  47   8.312 -10.440  -2.361
  330   HD13  LEU  47          3HD1      LEU  47   7.988  -9.660  -3.910
  331   HD21  LEU  47          1HD2      LEU  47   4.465  -9.547  -3.796
  332   HD22  LEU  47          2HD2      LEU  47   5.930  -9.493  -4.778
  333   HD23  LEU  47          3HD2      LEU  47   5.606  -8.219  -3.598
  334    H    CYS  48           H        CYS  48   6.221 -14.462  -3.187
  335    HA   CYS  48           HA       CYS  48   3.875 -16.021  -2.545
  336    HB2  CYS  48           2HB      CYS  48   5.305 -17.916  -2.526
  337    HB3  CYS  48           1HB      CYS  48   5.958 -16.879  -3.792
  338    HG   CYS  48           HG       CYS  48   7.736 -16.109  -1.860
  339    H    GLY  49           H        GLY  49   4.295 -17.542  -0.413
  340    HA2  GLY  49           2HA      GLY  49   3.946 -15.862   1.776
  341    HA3  GLY  49           1HA      GLY  49   4.389 -17.559   1.885
  342    H    ASP  50           H        ASP  50   6.847 -17.711   0.893
  343    HA   ASP  50           HA       ASP  50   8.506 -16.864   2.947
  344    HB2  ASP  50           2HB      ASP  50   9.112 -17.714   0.123
  345    HB3  ASP  50           1HB      ASP  50  10.381 -17.329   1.279
  346    H    CYS  51           H        CYS  51   7.728 -15.223  -0.040
  347    HA   CYS  51           HA       CYS  51   9.696 -13.151   0.508
  348    HB2  CYS  51           2HB      CYS  51   8.046 -13.923  -1.835
  349    HB3  CYS  51           1HB      CYS  51   8.475 -12.222  -1.685
  350    HG   CYS  51           HG       CYS  51  10.998 -12.935  -1.762
  351    H    SER  52           H        SER  52   6.636 -13.765   1.550
  352    HA   SER  52           HA       SER  52   6.115 -10.910   1.994
  353    HB2  SER  52           2HB      SER  52   3.756 -11.199   1.615
  354    HB3  SER  52           1HB      SER  52   4.597 -11.848   0.208
  355    HG   SER  52           HG       SER  52   2.821 -13.101   1.523
  356    H    ARG  53           H        ARG  53   7.377 -13.017   3.604
  357    HA   ARG  53           HA       ARG  53   5.449 -13.660   5.663
  358    HB2  ARG  53           2HB      ARG  53   8.281 -14.364   5.101
  359    HB3  ARG  53           1HB      ARG  53   7.765 -14.407   6.781
  360    HG2  ARG  53           2HG      ARG  53   6.409 -15.896   4.543
  361    HG3  ARG  53           1HG      ARG  53   7.604 -16.590   5.637
  362    HD2  ARG  53           2HD      ARG  53   6.134 -16.020   7.539
  363    HD3  ARG  53           1HD      ARG  53   4.927 -15.431   6.398
  364    HE   ARG  53           HE       ARG  53   4.299 -17.588   6.036
  365   HH11  ARG  53          1HH1      ARG  53   7.505 -17.594   7.394
  366   HH12  ARG  53          2HH1      ARG  53   7.580 -19.318   7.536
  367   HH21  ARG  53          1HH2      ARG  53   4.383 -19.851   6.225
  368   HH22  ARG  53          2HH2      ARG  53   5.802 -20.603   6.872
  369    H    HIS  54           H        HIS  54   7.628 -11.079   4.977
  370    HA   HIS  54           HA       HIS  54   8.050 -10.333   7.713
  371    HB2  HIS  54           2HB      HIS  54   8.586  -8.917   5.102
  372    HB3  HIS  54           1HB      HIS  54   8.937  -8.198   6.665
  373    HD1  HIS  54           1HD      HIS  54  10.872  -9.279   8.058
  374    HD2  HIS  54           2HD      HIS  54  10.421 -10.804   4.217
  375    HE1  HIS  54           1HE      HIS  54  12.998 -10.534   7.579
  376    HE2  HIS  54           2HE      HIS  54  12.697 -11.463   5.256
  377    H    ARG  55           H        ARG  55   7.484  -8.126   8.458
  378    HA   ARG  55           HA       ARG  55   4.958  -7.113   7.403
  379    HB2  ARG  55           2HB      ARG  55   5.371  -7.839  10.310
  380    HB3  ARG  55           1HB      ARG  55   3.947  -7.054   9.633
  381    HG2  ARG  55           2HG      ARG  55   3.529  -9.036   8.247
  382    HG3  ARG  55           1HG      ARG  55   4.918  -9.829   8.993
  383    HD2  ARG  55           2HD      ARG  55   3.800  -9.505  11.209
  384    HD3  ARG  55           1HD      ARG  55   2.375  -8.938  10.341
  385    HE   ARG  55           HE       ARG  55   1.890 -11.110   9.786
  386   HH11  ARG  55          1HH1      ARG  55   5.166 -10.916  10.943
  387   HH12  ARG  55          2HH1      ARG  55   5.384 -12.634  11.010
  388   HH21  ARG  55          1HH2      ARG  55   2.162 -13.380   9.877
  389   HH22  ARG  55          2HH2      ARG  55   3.678 -14.034  10.404
  390    H    ALA  56           H        ALA  56   4.820  -4.959   7.476
  391    HA   ALA  56           HA       ALA  56   6.365  -3.389   9.356
  392    HB1  ALA  56           1HB      ALA  56   7.573  -2.127   7.569
  393    HB2  ALA  56           2HB      ALA  56   7.066  -3.375   6.430
  394    HB3  ALA  56           3HB      ALA  56   8.111  -3.793   7.788
  395    H    ALA  57           H        ALA  57   5.829  -1.139   9.355
  396    HA   ALA  57           HA       ALA  57   3.170  -0.627   8.308
  397    HB1  ALA  57           1HB      ALA  57   4.980   0.910  10.167
  398    HB2  ALA  57           2HB      ALA  57   3.506   0.033  10.577
  399    HB3  ALA  57           3HB      ALA  57   3.416   1.512   9.620
  400    H    ILE  58           H        ILE  58   2.728   1.385   7.103
  401    HA   ILE  58           HA       ILE  58   5.045   2.387   5.612
  402    HB   ILE  58           HB       ILE  58   2.450   1.887   4.201
  403   HG12  ILE  58          2HG1      ILE  58   4.680  -0.143   4.472
  404   HG13  ILE  58          1HG1      ILE  58   3.138  -0.241   5.313
  405   HG21  ILE  58          1HG2      ILE  58   4.254   3.266   3.190
  406   HG22  ILE  58          2HG2      ILE  58   3.837   1.838   2.244
  407   HG23  ILE  58          3HG2      ILE  58   5.301   1.848   3.225
  408   HD11  ILE  58          1HD1      ILE  58   3.718  -1.395   2.915
  409   HD12  ILE  58          2HD1      ILE  58   2.870   0.071   2.429
  410   HD13  ILE  58          3HD1      ILE  58   2.096  -1.070   3.529
  411    HA   PRO  59           HA       PRO  59   2.441   5.798   7.368
  412    HB2  PRO  59           2HB      PRO  59   4.580   7.414   7.908
  413    HB3  PRO  59           1HB      PRO  59   3.940   6.211   9.032
  414    HG2  PRO  59           2HG      PRO  59   6.281   6.014   7.179
  415    HG3  PRO  59           1HG      PRO  59   6.130   5.463   8.858
  416    HD2  PRO  59           2HD      PRO  59   5.931   3.764   6.777
  417    HD3  PRO  59           1HD      PRO  59   4.977   3.550   8.261
  418    H    MET  60           H        MET  60   4.567   5.543   4.647
  419    HA   MET  60           HA       MET  60   4.089   8.277   3.792
  420    HB2  MET  60           2HB      MET  60   5.378   5.947   2.347
  421    HB3  MET  60           1HB      MET  60   5.378   7.619   1.807
  422    HG2  MET  60           2HG      MET  60   6.733   6.511   4.253
  423    HG3  MET  60           1HG      MET  60   7.508   7.076   2.775
  424    HE1  MET  60           1HE      MET  60   7.590   9.693   2.049
  425    HE2  MET  60           2HE      MET  60   6.694  10.935   2.924
  426    HE3  MET  60           3HE      MET  60   5.826   9.650   2.084
  427    H    ARG  61           H        ARG  61   3.076   5.010   3.125
  428    HA   ARG  61           HA       ARG  61   1.271   5.762   0.988
  429    HB2  ARG  61           2HB      ARG  61   1.523   3.116   2.417
  430    HB3  ARG  61           1HB      ARG  61   0.761   3.409   0.858
  431    HG2  ARG  61           2HG      ARG  61   3.689   3.765   1.467
  432    HG3  ARG  61           1HG      ARG  61   2.973   2.391   0.622
  433    HD2  ARG  61           2HD      ARG  61   2.676   5.229  -0.323
  434    HD3  ARG  61           1HD      ARG  61   4.018   4.197  -0.815
  435    HE   ARG  61           HE       ARG  61   1.380   3.091  -1.253
  436   HH11  ARG  61          1HH1      ARG  61   4.028   4.931  -2.570
  437   HH12  ARG  61          2HH1      ARG  61   3.601   4.613  -4.218
  438   HH21  ARG  61          1HH2      ARG  61   0.810   2.662  -3.420
  439   HH22  ARG  61          2HH2      ARG  61   1.770   3.325  -4.701
  440    H    GLY  62           H        GLY  62   1.151   6.174   4.201
  441    HA2  GLY  62           2HA      GLY  62  -0.722   7.033   5.354
  442    HA3  GLY  62           1HA      GLY  62  -1.772   6.233   4.197
  443    H    ILE  63           H        ILE  63   0.653   4.154   5.248
  444    HA   ILE  63           HA       ILE  63  -1.249   2.797   7.010
  445    HB   ILE  63           HB       ILE  63   1.294   1.798   5.719
  446   HG12  ILE  63          2HG1      ILE  63  -1.555   1.110   4.987
  447   HG13  ILE  63          1HG1      ILE  63  -0.648   2.394   4.193
  448   HG21  ILE  63          1HG2      ILE  63   0.545  -0.425   6.378
  449   HG22  ILE  63          2HG2      ILE  63  -0.860   0.280   7.179
  450   HG23  ILE  63          3HG2      ILE  63   0.761   0.617   7.785
  451   HD11  ILE  63          1HD1      ILE  63  -0.622   0.328   2.909
  452   HD12  ILE  63          2HD1      ILE  63   0.137  -0.508   4.266
  453   HD13  ILE  63          3HD1      ILE  63   0.997   0.788   3.433
  454    H    THR  64           H        THR  64  -0.983   3.703   9.005
  455    HA   THR  64           HA       THR  64   1.657   4.253  10.061
  456    HB   THR  64           HB       THR  64   0.422   5.058  12.055
  457    HG1  THR  64           1HG      THR  64  -1.989   4.747  10.684
  458   HG21  THR  64          1HG2      THR  64   0.683   6.387   9.789
  459   HG22  THR  64          2HG2      THR  64  -0.241   7.027  11.149
  460   HG23  THR  64          3HG2      THR  64  -1.076   6.256   9.801
  461    H    GLU  65           H        GLU  65  -0.515   1.619  10.076
  462    HA   GLU  65           HA       GLU  65   0.765   0.464  12.453
  463    HB2  GLU  65           2HB      GLU  65  -1.708  -0.375  10.922
  464    HB3  GLU  65           1HB      GLU  65  -1.042  -1.253  12.293
  465    HG2  GLU  65           2HG      GLU  65  -1.676   0.358  13.808
  466    HG3  GLU  65           1HG      GLU  65  -1.740   1.630  12.588
  467    HA   PRO  66           HA       PRO  66   3.323  -2.031   9.924
  468    HB2  PRO  66           2HB      PRO  66   3.321  -4.384  11.411
  469    HB3  PRO  66           1HB      PRO  66   4.385  -3.003  11.698
  470    HG2  PRO  66           2HG      PRO  66   1.857  -3.771  13.081
  471    HG3  PRO  66           1HG      PRO  66   3.327  -3.038  13.748
  472    HD2  PRO  66           2HD      PRO  66   1.084  -1.606  13.287
  473    HD3  PRO  66           1HD      PRO  66   2.707  -0.908  13.107
  474    H    GLU  67           H        GLU  67   2.774  -2.914   8.088
  475    HA   GLU  67           HA       GLU  67   0.584  -4.875   8.014
  476    HB2  GLU  67           2HB      GLU  67   1.226  -2.740   5.970
  477    HB3  GLU  67           1HB      GLU  67   0.000  -3.980   5.775
  478    HG2  GLU  67           2HG      GLU  67   0.011  -1.860   7.906
  479    HG3  GLU  67           1HG      GLU  67  -0.961  -1.841   6.435
  480    H    ARG  68           H        ARG  68   0.663  -6.230   5.970
  481    HA   ARG  68           HA       ARG  68   3.212  -7.486   5.826
  482    HB2  ARG  68           2HB      ARG  68   2.167  -9.042   4.294
  483    HB3  ARG  68           1HB      ARG  68   1.121  -8.742   5.676
  484    HG2  ARG  68           2HG      ARG  68  -0.116  -7.086   4.241
  485    HG3  ARG  68           1HG      ARG  68   0.828  -7.687   2.875
  486    HD2  ARG  68           2HD      ARG  68  -0.010  -9.971   3.375
  487    HD3  ARG  68           1HD      ARG  68  -1.043  -9.278   4.623
  488    HE   ARG  68           HE       ARG  68  -1.679  -7.886   2.366
  489   HH11  ARG  68          1HH1      ARG  68  -1.603 -11.258   3.241
  490   HH12  ARG  68          2HH1      ARG  68  -2.884 -11.700   2.162
  491   HH21  ARG  68          1HH2      ARG  68  -3.367  -8.458   0.943
  492   HH22  ARG  68          2HH2      ARG  68  -3.885 -10.109   0.855
  493    H    VAL  69           H        VAL  69   4.726  -7.464   4.349
  494    HA   VAL  69           HA       VAL  69   4.388  -6.096   1.790
  495    HB   VAL  69           HB       VAL  69   6.420  -4.773   2.075
  496   HG11  VAL  69          1HG1      VAL  69   4.478  -3.536   2.472
  497   HG12  VAL  69          2HG1      VAL  69   5.508  -3.190   3.864
  498   HG13  VAL  69          3HG1      VAL  69   4.177  -4.336   4.016
  499   HG21  VAL  69          1HG2      VAL  69   6.428  -6.049   4.782
  500   HG22  VAL  69          2HG2      VAL  69   7.167  -4.466   4.538
  501   HG23  VAL  69          3HG2      VAL  69   7.751  -5.862   3.630
  502    H    CYS  70           H        CYS  70   6.771  -6.196   0.726
  503    HA   CYS  70           HA       CYS  70   7.531  -9.016   0.854
  504    HB2  CYS  70           2HB      CYS  70   8.279  -8.856  -1.337
  505    HB3  CYS  70           1HB      CYS  70   6.930  -7.728  -1.341
  506    HG   CYS  70           HG       CYS  70   9.657  -7.021  -2.136
  507    H    ASP  71           H        ASP  71  10.149  -8.735  -0.200
  508    HA   ASP  71           HA       ASP  71  11.497  -7.973   2.247
  509    HB2  ASP  71           2HB      ASP  71  12.539  -9.191  -0.318
  510    HB3  ASP  71           1HB      ASP  71  13.539  -8.862   1.095
  511    H    ALA  72           H        ALA  72  11.533  -6.804  -1.116
  512    HA   ALA  72           HA       ALA  72  13.584  -4.901  -0.668
  513    HB1  ALA  72           1HB      ALA  72  12.681  -3.838  -2.775
  514    HB2  ALA  72           2HB      ALA  72  11.468  -5.117  -2.791
  515    HB3  ALA  72           3HB      ALA  72  13.179  -5.526  -2.908
  516    H    CYS  73           H        CYS  73  10.048  -4.615  -0.645
  517    HA   CYS  73           HA       CYS  73   9.938  -1.847  -0.157
  518    HB2  CYS  73           2HB      CYS  73   7.915  -3.933   0.686
  519    HB3  CYS  73           1HB      CYS  73   7.620  -2.215   0.425
  520    HG   CYS  73           HG       CYS  73   8.562  -3.785  -2.042
  521    H    TYR  74           H        TYR  74  10.072  -4.637   2.011
  522    HA   TYR  74           HA       TYR  74   9.650  -3.288   4.426
  523    HB2  TYR  74           2HB      TYR  74   9.722  -5.761   4.231
  524    HB3  TYR  74           1HB      TYR  74  11.454  -5.672   3.922
  525    HD1  TYR  74           2HD      TYR  74   8.830  -5.252   6.472
  526    HD2  TYR  74           1HD      TYR  74  13.015  -5.314   5.705
  527    HE1  TYR  74           2HE      TYR  74   9.266  -5.367   8.891
  528    HE2  TYR  74           1HE      TYR  74  13.462  -5.429   8.119
  529    HH   TYR  74           HH       TYR  74  11.618  -4.588  10.376
  530    H    LEU  75           H        LEU  75  12.520  -3.756   2.466
  531    HA   LEU  75           HA       LEU  75  14.373  -2.565   4.274
  532    HB2  LEU  75           2HB      LEU  75  14.403  -3.440   1.433
  533    HB3  LEU  75           1HB      LEU  75  15.659  -2.342   1.966
  534    HG   LEU  75           HG       LEU  75  15.111  -4.903   3.439
  535   HD11  LEU  75          1HD1      LEU  75  15.482  -5.579   1.160
  536   HD12  LEU  75          2HD1      LEU  75  16.935  -5.913   2.101
  537   HD13  LEU  75          3HD1      LEU  75  16.880  -4.512   1.031
  538   HD21  LEU  75          1HD2      LEU  75  17.339  -4.638   4.241
  539   HD22  LEU  75          2HD2      LEU  75  16.518  -3.089   4.444
  540   HD23  LEU  75          3HD2      LEU  75  17.651  -3.319   3.111
  541    H    ALA  76           H        ALA  76  12.880  -1.342   1.275
  542    HA   ALA  76           HA       ALA  76  14.092   1.143   1.279
  543    HB1  ALA  76           1HB      ALA  76  11.523   1.574   0.249
  544    HB2  ALA  76           2HB      ALA  76  11.917  -0.104  -0.120
  545    HB3  ALA  76           3HB      ALA  76  12.991   1.190  -0.650
  546    H    LEU  77           H        LEU  77  11.028   0.194   2.816
  547    HA   LEU  77           HA       LEU  77  10.479   2.785   3.852
  548    HB2  LEU  77           2HB      LEU  77   9.569   0.068   4.809
  549    HB3  LEU  77           1HB      LEU  77   8.948   1.592   5.409
  550    HG   LEU  77           HG       LEU  77   8.743   0.727   2.527
  551   HD11  LEU  77          1HD1      LEU  77   6.383   0.267   3.045
  552   HD12  LEU  77          2HD1      LEU  77   6.723   0.529   4.755
  553   HD13  LEU  77          3HD1      LEU  77   7.482  -0.814   3.899
  554   HD21  LEU  77          1HD2      LEU  77   7.289   2.882   4.055
  555   HD22  LEU  77          2HD2      LEU  77   7.153   2.529   2.332
  556   HD23  LEU  77          3HD2      LEU  77   8.664   3.164   2.986
  557    H    ARG  78           H        ARG  78  12.109  -0.065   5.069
  558    HA   ARG  78           HA       ARG  78  12.602   0.723   7.685
  559    HB2  ARG  78           2HB      ARG  78  12.942  -1.544   6.985
  560    HB3  ARG  78           1HB      ARG  78  14.156  -1.055   5.812
  561    HG2  ARG  78           2HG      ARG  78  14.894  -0.177   8.449
  562    HG3  ARG  78           1HG      ARG  78  14.570  -1.911   8.431
  563    HD2  ARG  78           2HD      ARG  78  16.031  -1.536   6.132
  564    HD3  ARG  78           1HD      ARG  78  16.773  -0.399   7.256
  565    HE   ARG  78           HE       ARG  78  16.902  -3.270   7.359
  566   HH11  ARG  78          1HH1      ARG  78  17.106  -0.325   9.199
  567   HH12  ARG  78          2HH1      ARG  78  18.085  -1.016  10.449
  568   HH21  ARG  78          1HH2      ARG  78  18.200  -4.197   9.002
  569   HH22  ARG  78          2HH2      ARG  78  18.709  -3.215  10.336
  570    H    SER  79           H        SER  79  13.944   1.954   4.762
  571    HA   SER  79           HA       SER  79  16.514   2.688   5.642
  572    HB2  SER  79           2HB      SER  79  14.754   4.111   3.635
  573    HB3  SER  79           1HB      SER  79  16.506   4.254   3.778
  574    HG   SER  79           HG       SER  79  16.717   2.469   2.695
  575    H    SER  80           H        SER  80  13.376   4.271   5.903
  576    HA   SER  80           HA       SER  80  14.348   6.729   6.936
  577    HB2  SER  80           2HB      SER  80  11.604   5.478   7.223
  578    HB3  SER  80           1HB      SER  80  12.004   7.169   7.529
  579    HG   SER  80           HG       SER  80  12.519   5.952   5.033
  580    H    ASN  81           H        ASN  81  14.097   7.550   9.083
  581    HA   ASN  81           HA       ASN  81  14.585   5.498  11.117
  582    HB2  ASN  81           2HB      ASN  81  15.104   8.481  11.130
  583    HB3  ASN  81           1HB      ASN  81  15.456   7.399  12.474
  584   HD21  ASN  81          1HD2      ASN  81  17.267   9.066  10.952
  585   HD22  ASN  81          2HD2      ASN  81  18.448   8.008  10.264
  586    H    MET  82           H        MET  82  13.140   5.086  12.676
  587    HA   MET  82           HA       MET  82  10.632   6.521  12.663
  588    HB2  MET  82           2HB      MET  82  11.596   4.157  14.278
  589    HB3  MET  82           1HB      MET  82   9.972   4.822  14.377
  590    HG2  MET  82           2HG      MET  82   9.701   4.350  11.952
  591    HG3  MET  82           1HG      MET  82  11.267   3.538  11.988
  592    HE1  MET  82           1HE      MET  82  10.568   0.608  14.504
  593    HE2  MET  82           2HE      MET  82  11.085   2.228  14.968
  594    HE3  MET  82           3HE      MET  82  11.784   1.453  13.547
  595    H    ALA  83           H        ALA  83   9.922   7.950  14.146
  596    HA   ALA  83           HA       ALA  83  11.729   9.288  15.821
  597    HB1  ALA  83           1HB      ALA  83  10.077  10.777  16.069
  598    HB2  ALA  83           2HB      ALA  83   8.916   9.549  16.577
  599    HB3  ALA  83           3HB      ALA  83   9.232   9.807  14.861
  600    H    GLY  84           H        GLY  84  11.931   9.372  18.083
  601    HA2  GLY  84           2HA      GLY  84  11.820   8.600  20.259
  602    HA3  GLY  84           1HA      GLY  84  10.472   7.577  19.783
  Start of MODEL    3
    1    H1   GLY   1           1HT      GLY   1  -8.218   2.204 -10.532
    2    H2   GLY   1           2HT      GLY   1  -9.861   1.999 -10.876
    3    H3   GLY   1           3HT      GLY   1  -9.352   3.310  -9.936
    4    HA2  GLY   1           1HA      GLY   1  -8.705   2.874 -12.801
    5    HA3  GLY   1           2HA      GLY   1  -9.888   4.018 -12.186
    6    HA   PRO   2           HA       PRO   2  -6.170   6.592 -12.940
    7    HB2  PRO   2           2HB      PRO   2  -8.258   8.632 -12.354
    8    HB3  PRO   2           1HB      PRO   2  -7.075   8.577 -13.664
    9    HG2  PRO   2           2HG      PRO   2  -9.637   8.014 -14.123
   10    HG3  PRO   2           1HG      PRO   2  -8.344   7.106 -14.929
   11    HD2  PRO   2           2HD      PRO   2 -10.082   6.304 -12.636
   12    HD3  PRO   2           1HD      PRO   2  -9.456   5.323 -13.976
   13    H    LEU   3           H        LEU   3  -4.833   7.617 -11.511
   14    HA   LEU   3           HA       LEU   3  -5.465   7.344  -8.709
   15    HB2  LEU   3           2HB      LEU   3  -2.999   8.490 -10.019
   16    HB3  LEU   3           1HB      LEU   3  -3.163   8.052  -8.330
   17    HG   LEU   3           HG       LEU   3  -3.180   6.161 -10.681
   18   HD11  LEU   3          1HD1      LEU   3  -1.114   7.198  -8.957
   19   HD12  LEU   3          2HD1      LEU   3  -0.976   6.187 -10.395
   20   HD13  LEU   3          3HD1      LEU   3  -1.239   5.446  -8.816
   21   HD21  LEU   3          1HD2      LEU   3  -3.485   5.569  -7.741
   22   HD22  LEU   3          2HD2      LEU   3  -3.348   4.376  -9.032
   23   HD23  LEU   3          3HD2      LEU   3  -4.755   5.436  -8.956
   24    H    GLY   4           H        GLY   4  -5.661   8.983  -7.202
   25    HA2  GLY   4           2HA      GLY   4  -5.931  11.139  -6.398
   26    HA3  GLY   4           1HA      GLY   4  -5.374  11.750  -7.949
   27    H    SER   5           H        SER   5  -8.035   9.500  -7.522
   28    HA   SER   5           HA       SER   5  -9.865  11.602  -8.476
   29    HB2  SER   5           2HB      SER   5  -9.999   8.614  -8.945
   30    HB3  SER   5           1HB      SER   5 -11.191   9.787  -9.505
   31    HG   SER   5           HG       SER   5  -9.286  10.810 -10.574
   32    H    MET   6           H        MET   6 -11.966  11.677  -7.627
   33    HA   MET   6           HA       MET   6 -12.194  11.254  -4.884
   34    HB2  MET   6           2HB      MET   6 -14.347  11.648  -6.966
   35    HB3  MET   6           1HB      MET   6 -14.633  11.698  -5.232
   36    HG2  MET   6           2HG      MET   6 -12.987  13.561  -5.084
   37    HG3  MET   6           1HG      MET   6 -12.914  13.565  -6.845
   38    HE1  MET   6           1HE      MET   6 -16.535  13.276  -7.429
   39    HE2  MET   6           2HE      MET   6 -14.965  13.452  -8.214
   40    HE3  MET   6           3HE      MET   6 -16.065  14.828  -8.126
   41    H    GLY   7           H        GLY   7 -13.084   9.191  -7.584
   42    HA2  GLY   7           2HA      GLY   7 -14.772   7.382  -6.320
   43    HA3  GLY   7           1HA      GLY   7 -13.695   6.975  -7.647
   44    H    GLU   8           H        GLU   8 -14.539   5.731  -4.924
   45    HA   GLU   8           HA       GLU   8 -11.934   5.407  -3.670
   46    HB2  GLU   8           2HB      GLU   8 -14.644   4.277  -2.945
   47    HB3  GLU   8           1HB      GLU   8 -13.174   4.028  -2.012
   48    HG2  GLU   8           2HG      GLU   8 -13.010   6.464  -1.680
   49    HG3  GLU   8           1HG      GLU   8 -14.536   6.658  -2.540
   50    H    LYS   9           H        LYS   9 -13.105   4.133  -6.359
   51    HA   LYS   9           HA       LYS   9 -12.732   1.329  -5.899
   52    HB2  LYS   9           2HB      LYS   9 -12.768   2.950  -8.454
   53    HB3  LYS   9           1HB      LYS   9 -12.669   1.195  -8.404
   54    HG2  LYS   9           2HG      LYS   9 -14.841   1.111  -7.278
   55    HG3  LYS   9           1HG      LYS   9 -14.940   2.871  -7.350
   56    HD2  LYS   9           2HD      LYS   9 -16.229   1.948  -9.160
   57    HD3  LYS   9           1HD      LYS   9 -14.790   2.722  -9.827
   58    HE2  LYS   9           2HE      LYS   9 -14.020   0.799 -10.665
   59    HE3  LYS   9           1HE      LYS   9 -14.365  -0.082  -9.179
   60    HZ1  LYS   9           1HZ      LYS   9 -16.329  -0.799  -9.960
   61    HZ2  LYS   9           2HZ      LYS   9 -15.650  -0.487 -11.476
   62    HZ3  LYS   9           3HZ      LYS   9 -16.681   0.648 -10.764
   63    H    GLN  10           H        GLN  10 -10.691   3.869  -5.829
   64    HA   GLN  10           HA       GLN  10  -8.416   2.972  -7.241
   65    HB2  GLN  10           2HB      GLN  10  -8.717   5.299  -6.639
   66    HB3  GLN  10           1HB      GLN  10  -8.749   4.892  -4.929
   67    HG2  GLN  10           2HG      GLN  10  -6.412   4.163  -5.075
   68    HG3  GLN  10           1HG      GLN  10  -6.391   4.598  -6.784
   69   HE21  GLN  10          1HE2      GLN  10  -4.533   5.730  -5.273
   70   HE22  GLN  10          2HE2      GLN  10  -4.889   7.392  -4.964
   71    H    SER  11           H        SER  11  -6.576   1.921  -6.513
   72    HA   SER  11           HA       SER  11  -6.859   0.520  -3.936
   73    HB2  SER  11           2HB      SER  11  -5.561  -1.312  -4.896
   74    HB3  SER  11           1HB      SER  11  -6.954  -0.970  -5.920
   75    HG   SER  11           HG       SER  11  -4.776   0.495  -6.629
   76    H    LYS  12           H        LYS  12  -4.933   0.159  -2.701
   77    HA   LYS  12           HA       LYS  12  -3.279   2.386  -2.459
   78    HB2  LYS  12           2HB      LYS  12  -2.806  -0.450  -1.522
   79    HB3  LYS  12           1HB      LYS  12  -1.862   0.940  -1.005
   80    HG2  LYS  12           2HG      LYS  12  -3.946   1.947  -0.104
   81    HG3  LYS  12           1HG      LYS  12  -4.789   0.451  -0.508
   82    HD2  LYS  12           2HD      LYS  12  -3.163  -0.774   0.930
   83    HD3  LYS  12           1HD      LYS  12  -2.493   0.784   1.420
   84    HE2  LYS  12           2HE      LYS  12  -4.093  -0.059   3.066
   85    HE3  LYS  12           1HE      LYS  12  -4.655   1.441   2.331
   86    HZ1  LYS  12           1HZ      LYS  12  -5.520  -1.227   1.375
   87    HZ2  LYS  12           2HZ      LYS  12  -6.207   0.277   1.021
   88    HZ3  LYS  12           3HZ      LYS  12  -6.355  -0.373   2.575
   89    H    GLY  13           H        GLY  13  -2.789  -0.644  -4.196
   90    HA2  GLY  13           2HA      GLY  13  -0.649   0.644  -5.716
   91    HA3  GLY  13           1HA      GLY  13  -0.240  -0.835  -4.860
   92    H    TYR  14           H        TYR  14   0.115  -0.814  -7.529
   93    HA   TYR  14           HA       TYR  14  -2.226  -1.805  -8.884
   94    HB2  TYR  14           2HB      TYR  14  -0.501  -0.513 -10.083
   95    HB3  TYR  14           1HB      TYR  14   0.656  -1.809  -9.798
   96    HD1  TYR  14           1HD      TYR  14  -2.377  -0.834 -11.637
   97    HD2  TYR  14           2HD      TYR  14   0.583  -3.840 -11.085
   98    HE1  TYR  14           1HE      TYR  14  -3.130  -1.945 -13.697
   99    HE2  TYR  14           2HE      TYR  14  -0.159  -4.959 -13.145
  100    HH   TYR  14           HH       TYR  14  -1.466  -3.998 -15.395
  101    H    TRP  15           H        TRP  15  -2.911  -3.823  -8.850
  102    HA   TRP  15           HA       TRP  15  -1.264  -5.912  -7.662
  103    HB2  TRP  15           2HB      TRP  15  -3.289  -7.265  -7.692
  104    HB3  TRP  15           1HB      TRP  15  -3.639  -5.680  -7.008
  105    HD1  TRP  15           HD       TRP  15  -5.009  -3.945  -8.634
  106    HE1  TRP  15           1HE      TRP  15  -6.735  -4.431 -10.480
  107    HE3  TRP  15           3HE      TRP  15  -3.941  -8.874  -9.463
  108    HZ2  TRP  15           2HZ      TRP  15  -7.540  -6.618 -12.076
  109    HZ3  TRP  15           3HZ      TRP  15  -5.236 -10.092 -11.166
  110    HH2  TRP  15           HH       TRP  15  -6.998  -8.986 -12.444
  111    H    GLN  16           H        GLN  16   0.020  -7.143  -8.865
  112    HA   GLN  16           HA       GLN  16  -0.357  -7.309 -11.744
  113    HB2  GLN  16           2HB      GLN  16   1.915  -7.009 -10.708
  114    HB3  GLN  16           1HB      GLN  16   1.757  -8.618 -10.017
  115    HG2  GLN  16           2HG      GLN  16   1.640  -9.586 -12.241
  116    HG3  GLN  16           1HG      GLN  16   1.741  -7.979 -12.957
  117   HE21  GLN  16          1HE2      GLN  16   3.539  -9.766 -13.764
  118   HE22  GLN  16          2HE2      GLN  16   5.098  -9.434 -13.099
  119    H    GLU  17           H        GLU  17  -1.280  -8.884 -12.784
  120    HA   GLU  17           HA       GLU  17  -2.817 -10.800 -11.512
  121    HB2  GLU  17           2HB      GLU  17  -1.872 -10.699 -14.372
  122    HB3  GLU  17           1HB      GLU  17  -3.117 -11.790 -13.779
  123    HG2  GLU  17           2HG      GLU  17  -4.460  -9.846 -13.094
  124    HG3  GLU  17           1HG      GLU  17  -3.227  -8.783 -13.771
  125    H    ASP  18           H        ASP  18  -2.764 -13.059 -11.520
  126    HA   ASP  18           HA       ASP  18  -0.424 -14.309 -10.617
  127    HB2  ASP  18           2HB      ASP  18  -2.909 -15.010 -10.424
  128    HB3  ASP  18           1HB      ASP  18  -2.643 -15.800 -11.973
  129    H    GLU  19           H        GLU  19  -1.954 -14.325 -13.808
  130    HA   GLU  19           HA       GLU  19  -0.170 -16.140 -15.005
  131    HB2  GLU  19           2HB      GLU  19  -1.950 -14.018 -16.198
  132    HB3  GLU  19           1HB      GLU  19  -1.048 -15.176 -17.162
  133    HG2  GLU  19           2HG      GLU  19  -2.250 -17.009 -16.058
  134    HG3  GLU  19           1HG      GLU  19  -3.174 -15.827 -15.134
  135    H    ASP  20           H        ASP  20  -0.165 -12.597 -14.888
  136    HA   ASP  20           HA       ASP  20   2.128 -12.336 -16.563
  137    HB2  ASP  20           2HB      ASP  20   0.827 -10.401 -14.635
  138    HB3  ASP  20           1HB      ASP  20   2.154  -9.977 -15.714
  139    H    ALA  21           H        ALA  21   1.558 -12.760 -13.179
  140    HA   ALA  21           HA       ALA  21   4.455 -12.590 -12.652
  141    HB1  ALA  21           1HB      ALA  21   3.983 -12.008 -10.402
  142    HB2  ALA  21           2HB      ALA  21   2.274 -12.407 -10.584
  143    HB3  ALA  21           3HB      ALA  21   2.944 -11.000 -11.409
  144    HA   PRO  22           HA       PRO  22   3.133 -17.059 -12.246
  145    HB2  PRO  22           2HB      PRO  22   5.047 -18.079 -13.852
  146    HB3  PRO  22           1HB      PRO  22   3.518 -17.457 -14.478
  147    HG2  PRO  22           2HG      PRO  22   6.191 -16.111 -14.357
  148    HG3  PRO  22           1HG      PRO  22   5.034 -16.174 -15.700
  149    HD2  PRO  22           2HD      PRO  22   5.233 -14.034 -14.057
  150    HD3  PRO  22           1HD      PRO  22   3.694 -14.534 -14.789
  151    H    ALA  23           H        ALA  23   5.891 -15.169 -11.690
  152    HA   ALA  23           HA       ALA  23   6.895 -17.128  -9.748
  153    HB1  ALA  23           1HB      ALA  23   9.004 -15.537 -11.017
  154    HB2  ALA  23           2HB      ALA  23   8.219 -16.691 -12.097
  155    HB3  ALA  23           3HB      ALA  23   8.968 -17.251 -10.601
  156    H    CYS  24           H        CYS  24   8.115 -16.153  -7.987
  157    HA   CYS  24           HA       CYS  24   6.926 -13.791  -7.041
  158    HB2  CYS  24           2HB      CYS  24   7.911 -15.645  -5.652
  159    HB3  CYS  24           1HB      CYS  24   9.504 -15.004  -6.045
  160    HG   CYS  24           HG       CYS  24   9.106 -13.030  -4.550
  161    H    ASN  25           H        ASN  25   7.364 -11.749  -7.381
  162    HA   ASN  25           HA       ASN  25   9.304 -10.829  -9.174
  163    HB2  ASN  25           2HB      ASN  25   7.714  -9.387  -7.049
  164    HB3  ASN  25           1HB      ASN  25   8.735  -8.562  -8.222
  165   HD21  ASN  25          1HD2      ASN  25   5.703  -9.902  -7.602
  166   HD22  ASN  25          2HD2      ASN  25   5.039  -9.757  -9.190
  167    H    GLY  26           H        GLY  26   9.466 -11.457  -5.751
  168    HA2  GLY  26           2HA      GLY  26  11.890  -9.896  -5.422
  169    HA3  GLY  26           1HA      GLY  26  11.056 -10.803  -4.176
  170    H    CYS  27           H        CYS  27  11.071 -13.356  -4.937
  171    HA   CYS  27           HA       CYS  27  13.941 -13.927  -5.106
  172    HB2  CYS  27           2HB      CYS  27  13.454 -16.032  -4.014
  173    HB3  CYS  27           1HB      CYS  27  12.727 -14.713  -3.102
  174    HG   CYS  27           HG       CYS  27  10.997 -16.644  -3.297
  175    H    GLY  28           H        GLY  28  11.314 -13.974  -7.168
  176    HA2  GLY  28           2HA      GLY  28  11.134 -14.816  -9.289
  177    HA3  GLY  28           1HA      GLY  28  12.769 -15.433  -9.123
  178    H    CYS  29           H        CYS  29  10.739 -16.537  -6.631
  179    HA   CYS  29           HA       CYS  29  10.892 -19.216  -7.607
  180    HB2  CYS  29           2HB      CYS  29   9.890 -19.889  -5.583
  181    HB3  CYS  29           1HB      CYS  29  10.868 -18.488  -5.155
  182    HG   CYS  29           HG       CYS  29   7.871 -17.964  -5.643
  183    H    VAL  30           H        VAL  30   9.305 -20.528  -8.421
  184    HA   VAL  30           HA       VAL  30   7.196 -19.169  -9.826
  185    HB   VAL  30           HB       VAL  30   7.226 -22.126  -9.741
  186   HG11  VAL  30          1HG1      VAL  30   7.143 -21.522 -12.311
  187   HG12  VAL  30          2HG1      VAL  30   6.636 -19.956 -11.676
  188   HG13  VAL  30          3HG1      VAL  30   5.715 -21.408 -11.283
  189   HG21  VAL  30          1HG2      VAL  30   9.487 -22.130  -9.941
  190   HG22  VAL  30          2HG2      VAL  30   9.546 -20.480 -10.563
  191   HG23  VAL  30          3HG2      VAL  30   9.088 -21.808 -11.628
  192    H    PHE  31           H        PHE  31   5.062 -19.202  -9.452
  193    HA   PHE  31           HA       PHE  31   4.169 -20.072  -6.843
  194    HB2  PHE  31           2HB      PHE  31   2.725 -18.640  -9.083
  195    HB3  PHE  31           1HB      PHE  31   2.011 -19.006  -7.516
  196    HD1  PHE  31           2HD      PHE  31   3.031 -17.985  -5.455
  197    HD2  PHE  31           1HD      PHE  31   4.070 -16.748  -9.392
  198    HE1  PHE  31           2HE      PHE  31   3.942 -15.887  -4.550
  199    HE2  PHE  31           1HE      PHE  31   4.983 -14.647  -8.494
  200    HZ   PHE  31           HZ       PHE  31   4.920 -14.214  -6.071
  201    H    THR  32           H        THR  32   2.935 -21.752  -6.399
  202    HA   THR  32           HA       THR  32   1.891 -23.376  -8.624
  203    HB   THR  32           HB       THR  32   2.594 -25.391  -7.574
  204    HG1  THR  32           1HG      THR  32   3.434 -25.458  -5.523
  205   HG21  THR  32          1HG2      THR  32   4.758 -25.279  -8.062
  206   HG22  THR  32          2HG2      THR  32   5.062 -24.040  -6.844
  207   HG23  THR  32          3HG2      THR  32   4.456 -23.583  -8.437
  208    H    THR  33           H        THR  33   0.266 -25.029  -7.803
  209    HA   THR  33           HA       THR  33  -1.991 -23.824  -6.806
  210    HB   THR  33           HB       THR  33  -1.194 -26.717  -6.432
  211    HG1  THR  33           1HG      THR  33  -1.423 -25.482  -8.649
  212   HG21  THR  33          1HG2      THR  33  -3.941 -26.438  -6.980
  213   HG22  THR  33          2HG2      THR  33  -3.557 -25.345  -5.649
  214   HG23  THR  33          3HG2      THR  33  -3.171 -27.062  -5.521
  215    H    THR  34           H        THR  34   0.535 -25.497  -4.949
  216    HA   THR  34           HA       THR  34  -0.820 -25.240  -2.478
  217    HB   THR  34           HB       THR  34   2.160 -25.562  -2.893
  218    HG1  THR  34           1HG      THR  34   0.762 -27.820  -2.343
  219   HG21  THR  34          1HG2      THR  34   1.607 -27.080  -0.773
  220   HG22  THR  34          2HG2      THR  34   0.381 -25.830  -0.557
  221   HG23  THR  34          3HG2      THR  34   2.087 -25.388  -0.647
  222    H    VAL  35           H        VAL  35   1.494 -23.146  -4.171
  223    HA   VAL  35           HA       VAL  35   1.588 -21.352  -1.883
  224    HB   VAL  35           HB       VAL  35   2.872 -21.092  -4.599
  225   HG11  VAL  35          1HG1      VAL  35   4.197 -19.306  -3.576
  226   HG12  VAL  35          2HG1      VAL  35   3.271 -19.477  -2.085
  227   HG13  VAL  35          3HG1      VAL  35   2.474 -18.926  -3.559
  228   HG21  VAL  35          1HG2      VAL  35   3.613 -22.558  -2.218
  229   HG22  VAL  35          2HG2      VAL  35   4.838 -21.368  -2.662
  230   HG23  VAL  35          3HG2      VAL  35   4.330 -22.591  -3.829
  231    H    ARG  36           H        ARG  36   0.020 -20.007  -1.592
  232    HA   ARG  36           HA       ARG  36  -1.792 -19.169  -3.654
  233    HB2  ARG  36           2HB      ARG  36  -1.473 -18.256  -0.791
  234    HB3  ARG  36           1HB      ARG  36  -2.789 -17.775  -1.856
  235    HG2  ARG  36           2HG      ARG  36  -3.438 -20.154  -2.057
  236    HG3  ARG  36           1HG      ARG  36  -2.181 -20.560  -0.888
  237    HD2  ARG  36           2HD      ARG  36  -3.299 -18.972   0.708
  238    HD3  ARG  36           1HD      ARG  36  -4.627 -18.859  -0.446
  239    HE   ARG  36           HE       ARG  36  -4.332 -21.533  -0.031
  240   HH11  ARG  36          1HH1      ARG  36  -4.829 -18.778   2.039
  241   HH12  ARG  36          2HH1      ARG  36  -5.687 -19.676   3.247
  242   HH21  ARG  36          1HH2      ARG  36  -5.457 -22.726   1.552
  243   HH22  ARG  36          2HH2      ARG  36  -6.043 -21.922   2.970
  244    H    ARG  37           H        ARG  37  -2.112 -17.115  -4.467
  245    HA   ARG  37           HA       ARG  37   0.294 -15.575  -4.838
  246    HB2  ARG  37           2HB      ARG  37  -1.253 -15.956  -6.696
  247    HB3  ARG  37           1HB      ARG  37  -2.533 -15.128  -5.821
  248    HG2  ARG  37           2HG      ARG  37  -1.394 -13.035  -5.999
  249    HG3  ARG  37           1HG      ARG  37   0.042 -13.819  -6.661
  250    HD2  ARG  37           2HD      ARG  37  -1.392 -12.693  -8.367
  251    HD3  ARG  37           1HD      ARG  37  -1.110 -14.405  -8.666
  252    HE   ARG  37           HE       ARG  37  -3.347 -14.856  -8.096
  253   HH11  ARG  37          1HH1      ARG  37  -2.615 -11.443  -7.976
  254   HH12  ARG  37          2HH1      ARG  37  -4.277 -10.961  -8.010
  255   HH21  ARG  37          1HH2      ARG  37  -5.528 -14.221  -8.138
  256   HH22  ARG  37          2HH2      ARG  37  -5.930 -12.537  -8.099
  257    H    HIS  38           H        HIS  38   0.764 -13.559  -4.048
  258    HA   HIS  38           HA       HIS  38  -1.218 -12.220  -2.370
  259    HB2  HIS  38           2HB      HIS  38   1.570 -12.919  -1.430
  260    HB3  HIS  38           1HB      HIS  38   0.424 -11.907  -0.556
  261    HD1  HIS  38           1HD      HIS  38  -1.968 -13.268  -0.064
  262    HD2  HIS  38           2HD      HIS  38   1.492 -15.495  -0.635
  263    HE1  HIS  38           1HE      HIS  38  -2.447 -15.522   0.941
  264    HE2  HIS  38           2HE      HIS  38  -0.375 -16.884   0.493
  265    H    HIS  39           H        HIS  39  -0.541 -10.005  -1.764
  266    HA   HIS  39           HA       HIS  39   1.354  -8.851  -3.710
  267    HB2  HIS  39           2HB      HIS  39  -1.309  -7.657  -2.919
  268    HB3  HIS  39           1HB      HIS  39  -0.149  -6.959  -4.045
  269    HD1  HIS  39           1HD      HIS  39   0.385  -8.775  -6.147
  270    HD2  HIS  39           2HD      HIS  39  -3.281  -8.954  -4.201
  271    HE1  HIS  39           1HE      HIS  39  -1.158  -9.977  -7.728
  272    HE2  HIS  39           2HE      HIS  39  -3.404  -9.942  -6.587
  273    H    CYS  40           H        CYS  40   2.511  -7.033  -3.059
  274    HA   CYS  40           HA       CYS  40   2.671  -6.611  -0.169
  275    HB2  CYS  40           2HB      CYS  40   4.785  -7.015  -1.266
  276    HB3  CYS  40           1HB      CYS  40   4.435  -5.808  -2.498
  277    HG   CYS  40           HG       CYS  40   4.593  -4.589   0.273
  278    H    ARG  41           H        ARG  41   2.120  -4.686   0.781
  279    HA   ARG  41           HA       ARG  41   0.324  -3.008  -0.643
  280    HB2  ARG  41           2HB      ARG  41   1.485  -2.746   2.130
  281    HB3  ARG  41           1HB      ARG  41   0.190  -1.739   1.495
  282    HG2  ARG  41           2HG      ARG  41  -1.171  -3.784   1.165
  283    HG3  ARG  41           1HG      ARG  41   0.111  -4.715   1.941
  284    HD2  ARG  41           2HD      ARG  41  -0.143  -3.234   3.941
  285    HD3  ARG  41           1HD      ARG  41  -1.555  -2.521   3.161
  286    HE   ARG  41           HE       ARG  41  -1.657  -5.389   3.385
  287   HH11  ARG  41          1HH1      ARG  41  -2.356  -2.355   4.942
  288   HH12  ARG  41          2HH1      ARG  41  -3.581  -3.018   5.972
  289   HH21  ARG  41          1HH2      ARG  41  -3.270  -6.273   4.732
  290   HH22  ARG  41          2HH2      ARG  41  -4.102  -5.246   5.852
  291    H    ASN  42           H        ASN  42   3.637  -2.957  -0.604
  292    HA   ASN  42           HA       ASN  42   3.815  -0.041  -0.832
  293    HB2  ASN  42           2HB      ASN  42   5.902  -2.187  -0.443
  294    HB3  ASN  42           1HB      ASN  42   6.317  -0.520  -0.820
  295   HD21  ASN  42          1HD2      ASN  42   6.292  -2.548   1.609
  296   HD22  ASN  42          2HD2      ASN  42   5.875  -1.506   2.921
  297    H    CYS  43           H        CYS  43   5.539  -2.694  -2.470
  298    HA   CYS  43           HA       CYS  43   5.758  -1.141  -4.853
  299    HB2  CYS  43           2HB      CYS  43   6.930  -3.071  -5.777
  300    HB3  CYS  43           1HB      CYS  43   7.520  -2.703  -4.162
  301    HG   CYS  43           HG       CYS  43   7.081  -5.043  -3.638
  302    H    GLY  44           H        GLY  44   3.517  -3.507  -3.686
  303    HA2  GLY  44           2HA      GLY  44   1.473  -4.129  -4.557
  304    HA3  GLY  44           1HA      GLY  44   1.754  -3.013  -5.884
  305    H    TYR  45           H        TYR  45   4.152  -5.397  -5.246
  306    HA   TYR  45           HA       TYR  45   3.417  -6.757  -7.733
  307    HB2  TYR  45           2HB      TYR  45   5.992  -6.870  -6.155
  308    HB3  TYR  45           1HB      TYR  45   5.700  -7.665  -7.696
  309    HD1  TYR  45           1HD      TYR  45   4.387  -5.648  -9.294
  310    HD2  TYR  45           2HD      TYR  45   7.571  -5.211  -6.508
  311    HE1  TYR  45           1HE      TYR  45   5.148  -3.638 -10.489
  312    HE2  TYR  45           2HE      TYR  45   8.341  -3.198  -7.694
  313    HH   TYR  45           HH       TYR  45   8.178  -2.157  -9.852
  314    H    VAL  46           H        VAL  46   3.715  -9.089  -7.824
  315    HA   VAL  46           HA       VAL  46   2.329 -10.303  -5.622
  316    HB   VAL  46           HB       VAL  46   3.423 -11.581  -8.133
  317   HG11  VAL  46          1HG1      VAL  46   2.061 -13.501  -7.580
  318   HG12  VAL  46          2HG1      VAL  46   1.480 -12.704  -6.118
  319   HG13  VAL  46          3HG1      VAL  46   3.176 -13.166  -6.255
  320   HG21  VAL  46          1HG2      VAL  46   1.201 -11.467  -8.999
  321   HG22  VAL  46          2HG2      VAL  46   1.617  -9.856  -8.416
  322   HG23  VAL  46          3HG2      VAL  46   0.566 -10.896  -7.455
  323    H    LEU  47           H        LEU  47   3.147 -11.441  -3.979
  324    HA   LEU  47           HA       LEU  47   5.919 -12.418  -4.162
  325    HB2  LEU  47           2HB      LEU  47   4.652 -10.964  -1.832
  326    HB3  LEU  47           1HB      LEU  47   6.163 -11.840  -1.728
  327    HG   LEU  47           HG       LEU  47   6.382  -9.365  -1.904
  328   HD11  LEU  47          1HD1      LEU  47   8.339 -10.456  -2.398
  329   HD12  LEU  47          2HD1      LEU  47   8.066  -9.511  -3.861
  330   HD13  LEU  47          3HD1      LEU  47   7.672 -11.230  -3.835
  331   HD21  LEU  47          1HD2      LEU  47   5.930  -9.452  -4.810
  332   HD22  LEU  47          2HD2      LEU  47   5.677  -8.145  -3.651
  333   HD23  LEU  47          3HD2      LEU  47   4.494  -9.445  -3.787
  334    H    CYS  48           H        CYS  48   6.261 -14.419  -3.263
  335    HA   CYS  48           HA       CYS  48   3.934 -15.976  -2.588
  336    HB2  CYS  48           2HB      CYS  48   5.311 -17.853  -2.695
  337    HB3  CYS  48           1HB      CYS  48   6.162 -16.746  -3.770
  338    HG   CYS  48           HG       CYS  48   8.050 -16.583  -2.158
  339    H    GLY  49           H        GLY  49   4.305 -17.476  -0.457
  340    HA2  GLY  49           2HA      GLY  49   3.920 -15.801   1.720
  341    HA3  GLY  49           1HA      GLY  49   4.371 -17.497   1.840
  342    H    ASP  50           H        ASP  50   6.849 -17.647   0.922
  343    HA   ASP  50           HA       ASP  50   8.455 -16.773   3.010
  344    HB2  ASP  50           2HB      ASP  50   9.137 -17.671   0.215
  345    HB3  ASP  50           1HB      ASP  50  10.369 -17.303   1.414
  346    H    CYS  51           H        CYS  51   7.796 -15.199  -0.041
  347    HA   CYS  51           HA       CYS  51   9.766 -13.134   0.495
  348    HB2  CYS  51           2HB      CYS  51   8.103 -13.920  -1.830
  349    HB3  CYS  51           1HB      CYS  51   8.535 -12.217  -1.705
  350    HG   CYS  51           HG       CYS  51  10.734 -12.801  -2.588
  351    H    SER  52           H        SER  52   6.727 -13.733   1.560
  352    HA   SER  52           HA       SER  52   6.216 -10.883   2.009
  353    HB2  SER  52           2HB      SER  52   3.869 -11.137   1.611
  354    HB3  SER  52           1HB      SER  52   4.694 -11.847   0.223
  355    HG   SER  52           HG       SER  52   3.530 -13.535   0.677
  356    H    ARG  53           H        ARG  53   7.478 -13.038   3.581
  357    HA   ARG  53           HA       ARG  53   5.576 -13.673   5.662
  358    HB2  ARG  53           2HB      ARG  53   8.517 -14.242   5.332
  359    HB3  ARG  53           1HB      ARG  53   7.654 -14.618   6.817
  360    HG2  ARG  53           2HG      ARG  53   6.089 -16.005   5.415
  361    HG3  ARG  53           1HG      ARG  53   7.217 -15.766   4.081
  362    HD2  ARG  53           2HD      ARG  53   9.013 -16.735   5.465
  363    HD3  ARG  53           1HD      ARG  53   7.831 -17.051   6.733
  364    HE   ARG  53           HE       ARG  53   7.035 -18.210   4.261
  365   HH11  ARG  53          1HH1      ARG  53   9.202 -18.632   6.955
  366   HH12  ARG  53          2HH1      ARG  53   9.273 -20.355   6.795
  367   HH21  ARG  53          1HH2      ARG  53   7.117 -20.479   4.046
  368   HH22  ARG  53          2HH2      ARG  53   8.085 -21.406   5.144
  369    H    HIS  54           H        HIS  54   7.738 -11.091   4.963
  370    HA   HIS  54           HA       HIS  54   8.171 -10.338   7.700
  371    HB2  HIS  54           2HB      HIS  54   8.682  -8.922   5.087
  372    HB3  HIS  54           1HB      HIS  54   9.040  -8.199   6.645
  373    HD1  HIS  54           1HD      HIS  54  10.654  -9.932   8.183
  374    HD2  HIS  54           2HD      HIS  54  10.843 -10.145   4.038
  375    HE1  HIS  54           1HE      HIS  54  12.849 -11.044   7.667
  376    HE2  HIS  54           2HE      HIS  54  12.946 -11.158   5.153
  377    H    ARG  55           H        ARG  55   7.566  -8.143   8.461
  378    HA   ARG  55           HA       ARG  55   5.029  -7.166   7.396
  379    HB2  ARG  55           2HB      ARG  55   5.444  -7.919  10.297
  380    HB3  ARG  55           1HB      ARG  55   4.036  -7.081   9.656
  381    HG2  ARG  55           2HG      ARG  55   3.549  -9.027   8.234
  382    HG3  ARG  55           1HG      ARG  55   4.917  -9.872   8.960
  383    HD2  ARG  55           2HD      ARG  55   2.457  -8.871  10.391
  384    HD3  ARG  55           1HD      ARG  55   2.842 -10.552  10.023
  385    HE   ARG  55           HE       ARG  55   4.022  -8.896  12.102
  386   HH11  ARG  55          1HH1      ARG  55   4.118 -11.884  10.304
  387   HH12  ARG  55          2HH1      ARG  55   5.069 -12.714  11.489
  388   HH21  ARG  55          1HH2      ARG  55   5.276  -9.983  13.662
  389   HH22  ARG  55          2HH2      ARG  55   5.727 -11.634  13.397
  390    H    ALA  56           H        ALA  56   4.823  -5.007   7.504
  391    HA   ALA  56           HA       ALA  56   6.361  -3.414   9.371
  392    HB1  ALA  56           1HB      ALA  56   7.052  -3.416   6.445
  393    HB2  ALA  56           2HB      ALA  56   8.116  -3.730   7.817
  394    HB3  ALA  56           3HB      ALA  56   7.489  -2.104   7.540
  395    H    ALA  57           H        ALA  57   5.807  -1.160   9.367
  396    HA   ALA  57           HA       ALA  57   3.136  -0.684   8.291
  397    HB1  ALA  57           1HB      ALA  57   3.262   1.381   9.727
  398    HB2  ALA  57           2HB      ALA  57   4.818   0.793  10.314
  399    HB3  ALA  57           3HB      ALA  57   3.353  -0.145  10.606
  400    H    ILE  58           H        ILE  58   2.675   1.192   7.012
  401    HA   ILE  58           HA       ILE  58   5.041   2.404   5.755
  402    HB   ILE  58           HB       ILE  58   2.528   1.932   4.203
  403   HG12  ILE  58          2HG1      ILE  58   4.765  -0.088   4.483
  404   HG13  ILE  58          1HG1      ILE  58   3.191  -0.238   5.255
  405   HG21  ILE  58          1HG2      ILE  58   5.443   2.039   3.434
  406   HG22  ILE  58          2HG2      ILE  58   4.298   3.372   3.303
  407   HG23  ILE  58          3HG2      ILE  58   4.077   1.921   2.327
  408   HD11  ILE  58          1HD1      ILE  58   2.226  -0.978   3.387
  409   HD12  ILE  58          2HD1      ILE  58   3.873  -1.282   2.840
  410   HD13  ILE  58          3HD1      ILE  58   3.050   0.206   2.375
  411    HA   PRO  59           HA       PRO  59   2.332   5.717   7.500
  412    HB2  PRO  59           2HB      PRO  59   4.414   7.379   8.089
  413    HB3  PRO  59           1HB      PRO  59   3.816   6.128   9.182
  414    HG2  PRO  59           2HG      PRO  59   6.154   6.042   7.311
  415    HG3  PRO  59           1HG      PRO  59   6.040   5.470   8.987
  416    HD2  PRO  59           2HD      PRO  59   5.874   3.779   6.903
  417    HD3  PRO  59           1HD      PRO  59   4.922   3.533   8.382
  418    H    MET  60           H        MET  60   4.414   5.508   4.777
  419    HA   MET  60           HA       MET  60   3.860   8.248   3.934
  420    HB2  MET  60           2HB      MET  60   5.366   5.991   2.586
  421    HB3  MET  60           1HB      MET  60   5.203   7.620   1.944
  422    HG2  MET  60           2HG      MET  60   6.359   8.480   3.954
  423    HG3  MET  60           1HG      MET  60   6.609   6.817   4.478
  424    HE1  MET  60           1HE      MET  60   9.085   7.210   4.739
  425    HE2  MET  60           2HE      MET  60   9.140   8.854   4.103
  426    HE3  MET  60           3HE      MET  60  10.218   7.621   3.451
  427    H    ARG  61           H        ARG  61   3.033   4.939   3.262
  428    HA   ARG  61           HA       ARG  61   1.247   5.617   1.071
  429    HB2  ARG  61           2HB      ARG  61   1.644   2.945   2.416
  430    HB3  ARG  61           1HB      ARG  61   0.918   3.247   0.843
  431    HG2  ARG  61           2HG      ARG  61   3.791   3.794   1.559
  432    HG3  ARG  61           1HG      ARG  61   3.210   2.382   0.677
  433    HD2  ARG  61           2HD      ARG  61   2.544   5.111  -0.323
  434    HD3  ARG  61           1HD      ARG  61   4.164   4.468  -0.587
  435    HE   ARG  61           HE       ARG  61   3.272   2.833  -1.996
  436   HH11  ARG  61          1HH1      ARG  61   0.768   4.862  -0.657
  437   HH12  ARG  61          2HH1      ARG  61  -0.424   4.357  -1.806
  438   HH21  ARG  61          1HH2      ARG  61   1.710   2.167  -3.499
  439   HH22  ARG  61          2HH2      ARG  61   0.110   2.825  -3.420
  440    H    GLY  62           H        GLY  62   0.909   6.345   4.046
  441    HA2  GLY  62           2HA      GLY  62  -0.996   6.923   5.237
  442    HA3  GLY  62           1HA      GLY  62  -1.958   6.050   4.056
  443    H    ILE  63           H        ILE  63   0.581   4.140   5.239
  444    HA   ILE  63           HA       ILE  63  -1.314   2.691   6.939
  445    HB   ILE  63           HB       ILE  63   1.329   1.818   5.754
  446   HG12  ILE  63          2HG1      ILE  63  -1.475   1.014   4.965
  447   HG13  ILE  63          1HG1      ILE  63  -0.524   2.230   4.120
  448   HG21  ILE  63          1HG2      ILE  63   0.538  -0.470   6.378
  449   HG22  ILE  63          2HG2      ILE  63  -0.736   0.300   7.328
  450   HG23  ILE  63          3HG2      ILE  63   0.959   0.569   7.740
  451   HD11  ILE  63          1HD1      ILE  63   0.659  -0.464   4.500
  452   HD12  ILE  63          2HD1      ILE  63   0.864   0.690   3.182
  453   HD13  ILE  63          3HD1      ILE  63  -0.616  -0.261   3.300
  454    H    THR  64           H        THR  64  -1.186   3.520   8.968
  455    HA   THR  64           HA       THR  64   1.392   4.263  10.089
  456    HB   THR  64           HB       THR  64   0.059   5.012  12.046
  457    HG1  THR  64           1HG      THR  64  -1.908   4.367  12.252
  458   HG21  THR  64          1HG2      THR  64   0.407   6.407   9.894
  459   HG22  THR  64          2HG2      THR  64  -0.766   6.937  11.099
  460   HG23  THR  64          3HG2      THR  64  -1.313   6.114   9.640
  461    H    GLU  65           H        GLU  65  -0.692   1.554  10.093
  462    HA   GLU  65           HA       GLU  65   0.633   0.440  12.469
  463    HB2  GLU  65           2HB      GLU  65  -1.616  -0.925  11.030
  464    HB3  GLU  65           1HB      GLU  65  -1.165  -1.021  12.727
  465    HG2  GLU  65           2HG      GLU  65  -1.831   1.594  12.520
  466    HG3  GLU  65           1HG      GLU  65  -2.924   0.870  11.341
  467    HA   PRO  66           HA       PRO  66   3.238  -2.030   9.960
  468    HB2  PRO  66           2HB      PRO  66   3.274  -4.378  11.442
  469    HB3  PRO  66           1HB      PRO  66   4.290  -2.970  11.761
  470    HG2  PRO  66           2HG      PRO  66   1.739  -3.806  13.069
  471    HG3  PRO  66           1HG      PRO  66   3.183  -3.072  13.789
  472    HD2  PRO  66           2HD      PRO  66   0.951  -1.645  13.300
  473    HD3  PRO  66           1HD      PRO  66   2.571  -0.934  13.145
  474    H    GLU  67           H        GLU  67   2.702  -2.907   8.114
  475    HA   GLU  67           HA       GLU  67   0.556  -4.915   8.028
  476    HB2  GLU  67           2HB      GLU  67   1.176  -2.784   5.973
  477    HB3  GLU  67           1HB      GLU  67  -0.052  -4.024   5.802
  478    HG2  GLU  67           2HG      GLU  67  -0.016  -1.867   7.896
  479    HG3  GLU  67           1HG      GLU  67  -1.013  -1.883   6.443
  480    H    ARG  68           H        ARG  68   0.687  -6.286   6.012
  481    HA   ARG  68           HA       ARG  68   3.269  -7.465   5.878
  482    HB2  ARG  68           2HB      ARG  68   2.258  -9.049   4.335
  483    HB3  ARG  68           1HB      ARG  68   1.231  -8.787   5.737
  484    HG2  ARG  68           2HG      ARG  68  -0.078  -7.158   4.333
  485    HG3  ARG  68           1HG      ARG  68   0.848  -7.737   2.946
  486    HD2  ARG  68           2HD      ARG  68   0.075 -10.036   3.451
  487    HD3  ARG  68           1HD      ARG  68  -0.927  -9.383   4.745
  488    HE   ARG  68           HE       ARG  68  -1.485  -8.099   2.275
  489   HH11  ARG  68          1HH1      ARG  68  -2.024 -11.047   4.047
  490   HH12  ARG  68          2HH1      ARG  68  -3.512 -11.415   3.241
  491   HH21  ARG  68          1HH2      ARG  68  -3.446  -8.573   1.205
  492   HH22  ARG  68          2HH2      ARG  68  -4.320 -10.007   1.626
  493    H    VAL  69           H        VAL  69   4.792  -7.417   4.404
  494    HA   VAL  69           HA       VAL  69   4.434  -6.059   1.837
  495    HB   VAL  69           HB       VAL  69   6.506  -4.759   2.126
  496   HG11  VAL  69          1HG1      VAL  69   4.178  -4.251   3.942
  497   HG12  VAL  69          2HG1      VAL  69   4.584  -3.479   2.407
  498   HG13  VAL  69          3HG1      VAL  69   5.532  -3.124   3.853
  499   HG21  VAL  69          1HG2      VAL  69   7.144  -4.399   4.630
  500   HG22  VAL  69          2HG2      VAL  69   7.783  -5.792   3.754
  501   HG23  VAL  69          3HG2      VAL  69   6.414  -5.990   4.850
  502    H    CYS  70           H        CYS  70   6.799  -6.156   0.755
  503    HA   CYS  70           HA       CYS  70   7.573  -8.972   0.916
  504    HB2  CYS  70           2HB      CYS  70   8.224  -8.871  -1.287
  505    HB3  CYS  70           1HB      CYS  70   6.958  -7.654  -1.288
  506    HG   CYS  70           HG       CYS  70   9.746  -6.507  -0.862
  507    H    ASP  71           H        ASP  71  10.159  -8.793  -0.102
  508    HA   ASP  71           HA       ASP  71  11.529  -7.962   2.298
  509    HB2  ASP  71           2HB      ASP  71  12.108 -10.052   1.039
  510    HB3  ASP  71           1HB      ASP  71  12.750  -9.041  -0.252
  511    H    ALA  72           H        ALA  72  11.604  -6.874  -1.095
  512    HA   ALA  72           HA       ALA  72  13.621  -4.939  -0.683
  513    HB1  ALA  72           1HB      ALA  72  13.419  -5.274  -2.906
  514    HB2  ALA  72           2HB      ALA  72  12.309  -3.910  -2.784
  515    HB3  ALA  72           3HB      ALA  72  11.682  -5.557  -2.818
  516    H    CYS  73           H        CYS  73  10.082  -4.652  -0.669
  517    HA   CYS  73           HA       CYS  73   9.994  -1.875  -0.218
  518    HB2  CYS  73           2HB      CYS  73   7.935  -3.920   0.639
  519    HB3  CYS  73           1HB      CYS  73   7.669  -2.203   0.346
  520    HG   CYS  73           HG       CYS  73   8.652  -3.512  -2.166
  521    H    TYR  74           H        TYR  74  10.050  -4.647   1.976
  522    HA   TYR  74           HA       TYR  74   9.630  -3.278   4.376
  523    HB2  TYR  74           2HB      TYR  74   9.681  -5.744   4.207
  524    HB3  TYR  74           1HB      TYR  74  11.411  -5.682   3.887
  525    HD1  TYR  74           2HD      TYR  74   8.811  -5.177   6.449
  526    HD2  TYR  74           1HD      TYR  74  12.987  -5.365   5.660
  527    HE1  TYR  74           2HE      TYR  74   9.258  -5.286   8.865
  528    HE2  TYR  74           1HE      TYR  74  13.444  -5.475   8.075
  529    HH   TYR  74           HH       TYR  74  11.263  -4.671  10.396
  530    H    LEU  75           H        LEU  75  12.525  -3.810   2.464
  531    HA   LEU  75           HA       LEU  75  14.341  -2.587   4.289
  532    HB2  LEU  75           2HB      LEU  75  14.432  -3.487   1.444
  533    HB3  LEU  75           1HB      LEU  75  15.714  -2.462   2.048
  534    HG   LEU  75           HG       LEU  75  14.949  -5.028   3.423
  535   HD11  LEU  75          1HD1      LEU  75  17.038  -4.672   1.279
  536   HD12  LEU  75          2HD1      LEU  75  15.511  -5.533   1.088
  537   HD13  LEU  75          3HD1      LEU  75  16.731  -6.138   2.208
  538   HD21  LEU  75          1HD2      LEU  75  16.833  -4.757   4.668
  539   HD22  LEU  75          2HD2      LEU  75  16.460  -3.061   4.361
  540   HD23  LEU  75          3HD2      LEU  75  17.686  -3.882   3.396
  541    H    ALA  76           H        ALA  76  12.935  -1.448   1.211
  542    HA   ALA  76           HA       ALA  76  14.110   1.027   1.099
  543    HB1  ALA  76           1HB      ALA  76  11.917  -0.256  -0.175
  544    HB2  ALA  76           2HB      ALA  76  12.847   1.136  -0.732
  545    HB3  ALA  76           3HB      ALA  76  11.414   1.375   0.269
  546    H    LEU  77           H        LEU  77  11.084   0.185   2.768
  547    HA   LEU  77           HA       LEU  77  10.677   2.786   3.835
  548    HB2  LEU  77           2HB      LEU  77   9.712   0.083   4.790
  549    HB3  LEU  77           1HB      LEU  77   9.171   1.610   5.456
  550    HG   LEU  77           HG       LEU  77   8.831   0.916   2.544
  551   HD11  LEU  77          1HD1      LEU  77   7.639  -0.791   3.653
  552   HD12  LEU  77          2HD1      LEU  77   6.445   0.428   3.210
  553   HD13  LEU  77          3HD1      LEU  77   7.025   0.326   4.874
  554   HD21  LEU  77          1HD2      LEU  77   8.674   3.286   3.121
  555   HD22  LEU  77          2HD2      LEU  77   7.457   2.914   4.341
  556   HD23  LEU  77          3HD2      LEU  77   7.104   2.646   2.634
  557    H    ARG  78           H        ARG  78  12.222  -0.147   4.952
  558    HA   ARG  78           HA       ARG  78  12.933   0.525   7.538
  559    HB2  ARG  78           2HB      ARG  78  13.155  -1.715   6.545
  560    HB3  ARG  78           1HB      ARG  78  14.466  -1.138   5.530
  561    HG2  ARG  78           2HG      ARG  78  15.741  -0.627   7.616
  562    HG3  ARG  78           1HG      ARG  78  14.454  -1.432   8.512
  563    HD2  ARG  78           2HD      ARG  78  14.842  -3.474   7.184
  564    HD3  ARG  78           1HD      ARG  78  16.187  -2.666   6.381
  565    HE   ARG  78           HE       ARG  78  16.168  -3.794   9.027
  566   HH11  ARG  78          1HH1      ARG  78  17.674  -1.486   6.900
  567   HH12  ARG  78          2HH1      ARG  78  19.174  -1.468   7.768
  568   HH21  ARG  78          1HH2      ARG  78  18.139  -3.783  10.177
  569   HH22  ARG  78          2HH2      ARG  78  19.438  -2.775   9.633
  570    H    SER  79           H        SER  79  14.184   1.752   4.550
  571    HA   SER  79           HA       SER  79  16.784   2.460   5.326
  572    HB2  SER  79           2HB      SER  79  14.938   3.917   3.418
  573    HB3  SER  79           1HB      SER  79  16.692   4.083   3.496
  574    HG   SER  79           HG       SER  79  15.254   1.721   2.850
  575    H    SER  80           H        SER  80  13.679   4.031   5.820
  576    HA   SER  80           HA       SER  80  14.569   6.531   6.691
  577    HB2  SER  80           2HB      SER  80  12.107   5.024   7.603
  578    HB3  SER  80           1HB      SER  80  12.371   6.763   7.744
  579    HG   SER  80           HG       SER  80  12.777   6.081   5.216
  580    H    ASN  81           H        ASN  81  14.281   3.473   8.387
  581    HA   ASN  81           HA       ASN  81  14.782   4.619  10.980
  582    HB2  ASN  81           2HB      ASN  81  14.869   1.724  10.102
  583    HB3  ASN  81           1HB      ASN  81  14.830   2.303  11.765
  584   HD21  ASN  81          1HD2      ASN  81  12.953   4.291  11.596
  585   HD22  ASN  81          2HD2      ASN  81  11.414   3.604  11.216
  586    H    MET  82           H        MET  82  16.667   4.663  12.115
  587    HA   MET  82           HA       MET  82  19.107   4.328  10.571
  588    HB2  MET  82           2HB      MET  82  18.612   5.473  13.323
  589    HB3  MET  82           1HB      MET  82  20.183   5.421  12.535
  590    HG2  MET  82           2HG      MET  82  19.241   6.795  10.696
  591    HG3  MET  82           1HG      MET  82  17.751   6.939  11.627
  592    HE1  MET  82           1HE      MET  82  21.509   8.458  11.306
  593    HE2  MET  82           2HE      MET  82  21.494   6.946  12.212
  594    HE3  MET  82           3HE      MET  82  21.839   8.465  13.038
  595    H    ALA  83           H        ALA  83  20.593   2.776  10.869
  596    HA   ALA  83           HA       ALA  83  20.191   0.908  13.114
  597    HB1  ALA  83           1HB      ALA  83  19.583  -0.356  11.265
  598    HB2  ALA  83           2HB      ALA  83  21.279  -0.780  11.491
  599    HB3  ALA  83           3HB      ALA  83  20.818   0.370  10.237
  600    H    GLY  84           H        GLY  84  22.605   2.132  10.798
  601    HA2  GLY  84           2HA      GLY  84  24.713   3.003  11.388
  602    HA3  GLY  84           1HA      GLY  84  24.557   2.254  12.970
  Start of MODEL    4
    1    H1   GLY   1           1HT      GLY   1  -2.586  28.430 -13.204
    2    H2   GLY   1           2HT      GLY   1  -1.602  28.185 -14.558
    3    H3   GLY   1           3HT      GLY   1  -1.061  29.159 -13.284
    4    HA2  GLY   1           1HA      GLY   1   0.071  27.232 -12.846
    5    HA3  GLY   1           2HA      GLY   1  -1.367  27.049 -11.854
    6    HA   PRO   2           HA       PRO   2  -0.588  23.464 -14.997
    7    HB2  PRO   2           2HB      PRO   2  -0.357  21.992 -12.421
    8    HB3  PRO   2           1HB      PRO   2   0.563  21.793 -13.917
    9    HG2  PRO   2           2HG      PRO   2   1.663  22.981 -11.809
   10    HG3  PRO   2           1HG      PRO   2   1.964  23.586 -13.449
   11    HD2  PRO   2           2HD      PRO   2   0.151  24.670 -11.330
   12    HD3  PRO   2           1HD      PRO   2   1.179  25.540 -12.487
   13    H    LEU   3           H        LEU   3  -2.225  22.083 -15.564
   14    HA   LEU   3           HA       LEU   3  -4.747  22.439 -14.194
   15    HB2  LEU   3           2HB      LEU   3  -4.084  20.805 -16.643
   16    HB3  LEU   3           1HB      LEU   3  -5.697  21.180 -16.067
   17    HG   LEU   3           HG       LEU   3  -3.679  23.112 -17.201
   18   HD11  LEU   3          1HD1      LEU   3  -5.926  21.619 -18.266
   19   HD12  LEU   3          2HD1      LEU   3  -4.658  22.510 -19.108
   20   HD13  LEU   3          3HD1      LEU   3  -6.091  23.355 -18.521
   21   HD21  LEU   3          1HD2      LEU   3  -5.957  23.549 -15.427
   22   HD22  LEU   3          2HD2      LEU   3  -6.025  24.491 -16.917
   23   HD23  LEU   3          3HD2      LEU   3  -4.625  24.625 -15.851
   24    H    GLY   4           H        GLY   4  -5.930  20.890 -13.138
   25    HA2  GLY   4           2HA      GLY   4  -4.598  18.882 -11.739
   26    HA3  GLY   4           1HA      GLY   4  -6.342  18.975 -11.941
   27    H    SER   5           H        SER   5  -6.259  18.759 -14.828
   28    HA   SER   5           HA       SER   5  -6.447  15.977 -15.100
   29    HB2  SER   5           2HB      SER   5  -6.771  16.382 -17.460
   30    HB3  SER   5           1HB      SER   5  -7.584  17.662 -16.560
   31    HG   SER   5           HG       SER   5  -5.100  17.794 -17.918
   32    H    MET   6           H        MET   6  -3.763  18.155 -15.486
   33    HA   MET   6           HA       MET   6  -2.126  16.077 -16.731
   34    HB2  MET   6           2HB      MET   6  -1.515  18.969 -16.094
   35    HB3  MET   6           1HB      MET   6  -0.414  17.863 -16.907
   36    HG2  MET   6           2HG      MET   6  -3.095  18.776 -17.924
   37    HG3  MET   6           1HG      MET   6  -1.517  19.307 -18.501
   38    HE1  MET   6           1HE      MET   6   0.242  17.783 -19.179
   39    HE2  MET   6           2HE      MET   6  -0.054  16.628 -20.479
   40    HE3  MET   6           3HE      MET   6   0.050  16.068 -18.810
   41    H    GLY   7           H        GLY   7  -0.453  15.062 -15.735
   42    HA2  GLY   7           2HA      GLY   7   1.169  14.715 -14.064
   43    HA3  GLY   7           1HA      GLY   7   0.382  15.938 -13.078
   44    H    GLU   8           H        GLU   8  -1.997  13.955 -14.257
   45    HA   GLU   8           HA       GLU   8  -2.217  12.620 -11.689
   46    HB2  GLU   8           2HB      GLU   8  -4.175  13.745 -12.760
   47    HB3  GLU   8           1HB      GLU   8  -4.134  12.525 -14.025
   48    HG2  GLU   8           2HG      GLU   8  -4.510  10.786 -12.323
   49    HG3  GLU   8           1HG      GLU   8  -4.617  12.040 -11.092
   50    H    LYS   9           H        LYS   9  -0.344  11.862 -14.093
   51    HA   LYS   9           HA       LYS   9  -1.107   9.297 -14.948
   52    HB2  LYS   9           2HB      LYS   9   1.656  10.467 -14.540
   53    HB3  LYS   9           1HB      LYS   9   1.347   8.929 -15.331
   54    HG2  LYS   9           2HG      LYS   9  -0.003  10.117 -17.027
   55    HG3  LYS   9           1HG      LYS   9   0.439  11.645 -16.261
   56    HD2  LYS   9           2HD      LYS   9   2.831  11.075 -16.651
   57    HD3  LYS   9           1HD      LYS   9   2.303   9.647 -17.542
   58    HE2  LYS   9           2HE      LYS   9   0.849  11.616 -18.741
   59    HE3  LYS   9           1HE      LYS   9   2.339  12.469 -18.341
   60    HZ1  LYS   9           1HZ      LYS   9   1.924  10.208 -20.162
   61    HZ2  LYS   9           2HZ      LYS   9   3.416  10.345 -19.377
   62    HZ3  LYS   9           3HZ      LYS   9   2.864  11.598 -20.369
   63    H    GLN  10           H        GLN  10  -0.141  10.508 -11.943
   64    HA   GLN  10           HA       GLN  10   1.076   8.302 -10.724
   65    HB2  GLN  10           2HB      GLN  10   1.109  10.516  -9.737
   66    HB3  GLN  10           1HB      GLN  10  -0.642  10.511  -9.579
   67    HG2  GLN  10           2HG      GLN  10  -0.498   8.696  -7.965
   68    HG3  GLN  10           1HG      GLN  10   1.256   8.666  -8.143
   69   HE21  GLN  10          1HE2      GLN  10   0.466   8.961  -5.677
   70   HE22  GLN  10          2HE2      GLN  10   0.608  10.591  -5.124
   71    H    SER  11           H        SER  11   0.267   6.598  -9.523
   72    HA   SER  11           HA       SER  11  -2.626   6.259  -9.343
   73    HB2  SER  11           2HB      SER  11  -2.635   4.089 -10.381
   74    HB3  SER  11           1HB      SER  11  -1.861   5.211 -11.499
   75    HG   SER  11           HG       SER  11   0.167   4.425 -10.426
   76    H    LYS  12           H        LYS  12  -3.236   4.433  -7.947
   77    HA   LYS  12           HA       LYS  12  -1.520   4.334  -5.632
   78    HB2  LYS  12           2HB      LYS  12  -4.211   3.074  -6.184
   79    HB3  LYS  12           1HB      LYS  12  -3.381   3.008  -4.636
   80    HG2  LYS  12           2HG      LYS  12  -3.441   5.493  -4.565
   81    HG3  LYS  12           1HG      LYS  12  -4.422   5.461  -6.033
   82    HD2  LYS  12           2HD      LYS  12  -6.096   4.087  -4.843
   83    HD3  LYS  12           1HD      LYS  12  -5.131   4.224  -3.373
   84    HE2  LYS  12           2HE      LYS  12  -5.726   6.787  -4.652
   85    HE3  LYS  12           1HE      LYS  12  -7.157   5.911  -4.108
   86    HZ1  LYS  12           1HZ      LYS  12  -5.760   5.639  -1.948
   87    HZ2  LYS  12           2HZ      LYS  12  -6.594   7.081  -2.239
   88    HZ3  LYS  12           3HZ      LYS  12  -4.930   6.994  -2.528
   89    H    GLY  13           H        GLY  13  -1.159   2.208  -4.510
   90    HA2  GLY  13           2HA      GLY  13   0.610   0.588  -5.605
   91    HA3  GLY  13           1HA      GLY  13  -0.610  -0.066  -4.527
   92    H    TYR  14           H        TYR  14   0.716  -0.183  -7.610
   93    HA   TYR  14           HA       TYR  14  -1.616  -1.177  -8.977
   94    HB2  TYR  14           2HB      TYR  14   0.135   0.047 -10.185
   95    HB3  TYR  14           1HB      TYR  14   1.291  -1.225  -9.802
   96    HD1  TYR  14           2HD      TYR  14  -1.671  -0.356 -11.803
   97    HD2  TYR  14           1HD      TYR  14   1.290  -3.305 -11.010
   98    HE1  TYR  14           2HE      TYR  14  -2.315  -1.546 -13.857
   99    HE2  TYR  14           1HE      TYR  14   0.656  -4.503 -13.061
  100    HH   TYR  14           HH       TYR  14  -0.449  -4.178 -15.119
  101    H    TRP  15           H        TRP  15  -2.351  -3.169  -8.856
  102    HA   TRP  15           HA       TRP  15  -0.732  -5.273  -7.643
  103    HB2  TRP  15           2HB      TRP  15  -2.818  -6.558  -7.585
  104    HB3  TRP  15           1HB      TRP  15  -3.039  -4.967  -6.866
  105    HD1  TRP  15           HD       TRP  15  -4.314  -3.108  -8.504
  106    HE1  TRP  15           1HE      TRP  15  -6.208  -3.491 -10.203
  107    HE3  TRP  15           3HE      TRP  15  -3.802  -8.151  -9.164
  108    HZ2  TRP  15           2HZ      TRP  15  -7.339  -5.650 -11.633
  109    HZ3  TRP  15           3HZ      TRP  15  -5.332  -9.301 -10.712
  110    HH2  TRP  15           HH       TRP  15  -7.063  -8.075 -11.920
  111    H    GLN  16           H        GLN  16   0.427  -6.627  -8.848
  112    HA   GLN  16           HA       GLN  16  -0.040  -6.833 -11.710
  113    HB2  GLN  16           2HB      GLN  16   2.265  -6.642 -10.810
  114    HB3  GLN  16           1HB      GLN  16   2.047  -8.171  -9.968
  115    HG2  GLN  16           2HG      GLN  16   1.724  -9.282 -12.146
  116    HG3  GLN  16           1HG      GLN  16   2.054  -7.746 -12.947
  117   HE21  GLN  16          1HE2      GLN  16   4.061  -7.456 -13.585
  118   HE22  GLN  16          2HE2      GLN  16   5.464  -8.215 -12.920
  119    H    GLU  17           H        GLU  17  -1.062  -8.361 -12.706
  120    HA   GLU  17           HA       GLU  17  -2.703 -10.168 -11.395
  121    HB2  GLU  17           2HB      GLU  17  -1.789 -10.146 -14.267
  122    HB3  GLU  17           1HB      GLU  17  -3.102 -11.139 -13.648
  123    HG2  GLU  17           2HG      GLU  17  -4.266  -9.363 -14.480
  124    HG3  GLU  17           1HG      GLU  17  -4.042  -8.850 -12.809
  125    H    ASP  18           H        ASP  18  -2.789 -12.424 -11.390
  126    HA   ASP  18           HA       ASP  18  -0.545 -13.822 -10.499
  127    HB2  ASP  18           2HB      ASP  18  -3.025 -14.396 -10.277
  128    HB3  ASP  18           1HB      ASP  18  -2.894 -15.091 -11.885
  129    H    GLU  19           H        GLU  19  -2.079 -13.827 -13.693
  130    HA   GLU  19           HA       GLU  19  -0.349 -15.699 -14.873
  131    HB2  GLU  19           2HB      GLU  19  -2.091 -13.551 -16.068
  132    HB3  GLU  19           1HB      GLU  19  -1.202 -14.714 -17.040
  133    HG2  GLU  19           2HG      GLU  19  -3.292 -15.389 -14.982
  134    HG3  GLU  19           1HG      GLU  19  -3.536 -15.362 -16.728
  135    H    ASP  20           H        ASP  20  -0.226 -12.161 -14.785
  136    HA   ASP  20           HA       ASP  20   2.033 -11.968 -16.502
  137    HB2  ASP  20           2HB      ASP  20   0.909 -10.007 -14.485
  138    HB3  ASP  20           1HB      ASP  20   2.180  -9.628 -15.644
  139    H    ALA  21           H        ALA  21   1.542 -12.427 -13.111
  140    HA   ALA  21           HA       ALA  21   4.452 -12.357 -12.641
  141    HB1  ALA  21           1HB      ALA  21   2.621 -12.422 -10.325
  142    HB2  ALA  21           2HB      ALA  21   2.601 -10.950 -11.298
  143    HB3  ALA  21           3HB      ALA  21   4.109 -11.506 -10.573
  144    HA   PRO  22           HA       PRO  22   3.111 -16.829 -12.392
  145    HB2  PRO  22           2HB      PRO  22   5.078 -17.796 -13.972
  146    HB3  PRO  22           1HB      PRO  22   3.566 -17.158 -14.626
  147    HG2  PRO  22           2HG      PRO  22   6.232 -15.813 -14.380
  148    HG3  PRO  22           1HG      PRO  22   5.117 -15.833 -15.758
  149    HD2  PRO  22           2HD      PRO  22   5.260 -13.745 -14.045
  150    HD3  PRO  22           1HD      PRO  22   3.743 -14.226 -14.832
  151    H    ALA  23           H        ALA  23   5.911 -14.989 -11.757
  152    HA   ALA  23           HA       ALA  23   6.809 -16.991  -9.809
  153    HB1  ALA  23           1HB      ALA  23   8.654 -17.392 -10.990
  154    HB2  ALA  23           2HB      ALA  23   9.145 -15.732 -10.650
  155    HB3  ALA  23           3HB      ALA  23   8.275 -16.105 -12.137
  156    H    CYS  24           H        CYS  24   8.048 -16.074  -8.030
  157    HA   CYS  24           HA       CYS  24   6.922 -13.704  -7.054
  158    HB2  CYS  24           2HB      CYS  24   7.952 -15.650  -5.760
  159    HB3  CYS  24           1HB      CYS  24   9.509 -14.887  -6.070
  160    HG   CYS  24           HG       CYS  24   7.641 -12.928  -4.775
  161    H    ASN  25           H        ASN  25   7.384 -11.668  -7.391
  162    HA   ASN  25           HA       ASN  25   9.338 -10.772  -9.183
  163    HB2  ASN  25           2HB      ASN  25   7.691  -9.348  -7.096
  164    HB3  ASN  25           1HB      ASN  25   8.796  -8.494  -8.169
  165   HD21  ASN  25          1HD2      ASN  25   5.735  -9.934  -7.824
  166   HD22  ASN  25          2HD2      ASN  25   5.169  -9.672  -9.435
  167    H    GLY  26           H        GLY  26   9.487 -11.399  -5.762
  168    HA2  GLY  26           2HA      GLY  26  11.899  -9.835  -5.411
  169    HA3  GLY  26           1HA      GLY  26  11.077 -10.775  -4.183
  170    H    CYS  27           H        CYS  27  11.138 -13.314  -4.978
  171    HA   CYS  27           HA       CYS  27  14.020 -13.825  -5.181
  172    HB2  CYS  27           2HB      CYS  27  13.616 -15.918  -4.052
  173    HB3  CYS  27           1HB      CYS  27  12.842 -14.621  -3.148
  174    HG   CYS  27           HG       CYS  27  10.557 -15.469  -4.325
  175    H    GLY  28           H        GLY  28  11.392 -13.905  -7.213
  176    HA2  GLY  28           2HA      GLY  28  11.195 -14.769  -9.324
  177    HA3  GLY  28           1HA      GLY  28  12.832 -15.378  -9.163
  178    H    CYS  29           H        CYS  29  10.847 -16.482  -6.645
  179    HA   CYS  29           HA       CYS  29  10.985 -19.164  -7.620
  180    HB2  CYS  29           2HB      CYS  29  10.028 -19.834  -5.572
  181    HB3  CYS  29           1HB      CYS  29  11.017 -18.433  -5.173
  182    HG   CYS  29           HG       CYS  29   8.240 -18.647  -4.410
  183    H    VAL  30           H        VAL  30   9.361 -20.495  -8.363
  184    HA   VAL  30           HA       VAL  30   7.231 -19.130  -9.742
  185    HB   VAL  30           HB       VAL  30   7.275 -22.085  -9.681
  186   HG11  VAL  30          1HG1      VAL  30   5.873 -21.643 -11.344
  187   HG12  VAL  30          2HG1      VAL  30   7.276 -21.137 -12.287
  188   HG13  VAL  30          3HG1      VAL  30   6.348 -19.943 -11.380
  189   HG21  VAL  30          1HG2      VAL  30   9.578 -20.427 -10.500
  190   HG22  VAL  30          2HG2      VAL  30   9.094 -21.709 -11.614
  191   HG23  VAL  30          3HG2      VAL  30   9.522 -22.102  -9.949
  192    H    PHE  31           H        PHE  31   5.098 -19.200  -9.370
  193    HA   PHE  31           HA       PHE  31   4.221 -20.088  -6.758
  194    HB2  PHE  31           2HB      PHE  31   2.746 -18.676  -8.992
  195    HB3  PHE  31           1HB      PHE  31   2.061 -19.031  -7.409
  196    HD1  PHE  31           1HD      PHE  31   3.111 -17.988  -5.378
  197    HD2  PHE  31           2HD      PHE  31   4.070 -16.782  -9.344
  198    HE1  PHE  31           1HE      PHE  31   4.023 -15.873  -4.512
  199    HE2  PHE  31           2HE      PHE  31   4.982 -14.666  -8.484
  200    HZ   PHE  31           HZ       PHE  31   4.962 -14.210  -6.065
  201    H    THR  32           H        THR  32   2.968 -21.765  -6.319
  202    HA   THR  32           HA       THR  32   1.921 -23.375  -8.551
  203    HB   THR  32           HB       THR  32   2.588 -25.410  -7.482
  204    HG1  THR  32           1HG      THR  32   3.113 -25.528  -5.445
  205   HG21  THR  32          1HG2      THR  32   4.460 -23.618  -8.426
  206   HG22  THR  32          2HG2      THR  32   4.705 -25.339  -8.128
  207   HG23  THR  32          3HG2      THR  32   5.125 -24.160  -6.885
  208    H    THR  33           H        THR  33   0.270 -24.994  -7.767
  209    HA   THR  33           HA       THR  33  -1.960 -23.777  -6.745
  210    HB   THR  33           HB       THR  33  -1.241 -26.689  -6.372
  211    HG1  THR  33           1HG      THR  33  -1.146 -26.541  -8.481
  212   HG21  THR  33          1HG2      THR  33  -3.920 -26.439  -7.047
  213   HG22  THR  33          2HG2      THR  33  -3.642 -25.203  -5.819
  214   HG23  THR  33          3HG2      THR  33  -3.253 -26.890  -5.478
  215    H    THR  34           H        THR  34   0.497 -25.566  -4.887
  216    HA   THR  34           HA       THR  34  -0.864 -25.308  -2.428
  217    HB   THR  34           HB       THR  34   2.106 -25.677  -2.885
  218    HG1  THR  34           1HG      THR  34  -0.020 -27.337  -3.243
  219   HG21  THR  34          1HG2      THR  34   2.403 -26.108  -0.720
  220   HG22  THR  34          2HG2      THR  34   0.864 -26.960  -0.578
  221   HG23  THR  34          3HG2      THR  34   0.910 -25.198  -0.493
  222    H    VAL  35           H        VAL  35   1.490 -23.230  -4.068
  223    HA   VAL  35           HA       VAL  35   1.586 -21.442  -1.777
  224    HB   VAL  35           HB       VAL  35   2.858 -21.221  -4.500
  225   HG11  VAL  35          1HG1      VAL  35   4.171 -19.375  -3.454
  226   HG12  VAL  35          2HG1      VAL  35   3.060 -19.436  -2.084
  227   HG13  VAL  35          3HG1      VAL  35   2.461 -19.010  -3.687
  228   HG21  VAL  35          1HG2      VAL  35   4.807 -21.333  -2.517
  229   HG22  VAL  35          2HG2      VAL  35   4.374 -22.613  -3.651
  230   HG23  VAL  35          3HG2      VAL  35   3.621 -22.556  -2.056
  231    H    ARG  36           H        ARG  36   0.031 -20.104  -1.450
  232    HA   ARG  36           HA       ARG  36  -1.821 -19.244  -3.460
  233    HB2  ARG  36           2HB      ARG  36  -1.398 -18.360  -0.600
  234    HB3  ARG  36           1HB      ARG  36  -2.712 -17.796  -1.624
  235    HG2  ARG  36           2HG      ARG  36  -3.493 -20.130  -1.844
  236    HG3  ARG  36           1HG      ARG  36  -2.224 -20.628  -0.724
  237    HD2  ARG  36           2HD      ARG  36  -3.193 -19.070   0.960
  238    HD3  ARG  36           1HD      ARG  36  -4.523 -18.763  -0.154
  239    HE   ARG  36           HE       ARG  36  -4.057 -21.174   1.396
  240   HH11  ARG  36          1HH1      ARG  36  -5.827 -19.634  -1.182
  241   HH12  ARG  36          2HH1      ARG  36  -7.121 -20.787  -1.155
  242   HH21  ARG  36          1HH2      ARG  36  -5.756 -22.699   1.437
  243   HH22  ARG  36          2HH2      ARG  36  -7.080 -22.529   0.331
  244    H    ARG  37           H        ARG  37  -2.077 -17.223  -4.341
  245    HA   ARG  37           HA       ARG  37   0.366 -15.723  -4.669
  246    HB2  ARG  37           2HB      ARG  37  -1.169 -16.158  -6.563
  247    HB3  ARG  37           1HB      ARG  37  -2.396 -15.175  -5.775
  248    HG2  ARG  37           2HG      ARG  37  -1.026 -13.209  -5.984
  249    HG3  ARG  37           1HG      ARG  37   0.311 -14.169  -6.624
  250    HD2  ARG  37           2HD      ARG  37  -0.785 -13.086  -8.459
  251    HD3  ARG  37           1HD      ARG  37  -1.141 -14.808  -8.534
  252    HE   ARG  37           HE       ARG  37  -3.008 -12.657  -7.995
  253   HH11  ARG  37          1HH1      ARG  37  -2.409 -16.092  -7.975
  254   HH12  ARG  37          2HH1      ARG  37  -4.087 -16.513  -7.965
  255   HH21  ARG  37          1HH2      ARG  37  -5.219 -13.206  -7.987
  256   HH22  ARG  37          2HH2      ARG  37  -5.684 -14.875  -7.974
  257    H    HIS  38           H        HIS  38   0.811 -13.689  -3.932
  258    HA   HIS  38           HA       HIS  38  -1.227 -12.303  -2.370
  259    HB2  HIS  38           2HB      HIS  38   1.510 -13.012  -1.297
  260    HB3  HIS  38           1HB      HIS  38   0.359 -11.941  -0.506
  261    HD1  HIS  38           1HD      HIS  38  -2.054 -13.191   0.019
  262    HD2  HIS  38           2HD      HIS  38   1.303 -15.586  -0.491
  263    HE1  HIS  38           1HE      HIS  38  -2.639 -15.399   1.069
  264    HE2  HIS  38           2HE      HIS  38  -0.555 -16.796   0.842
  265    H    HIS  39           H        HIS  39  -0.514 -10.095  -1.754
  266    HA   HIS  39           HA       HIS  39   1.428  -8.994  -3.681
  267    HB2  HIS  39           2HB      HIS  39  -1.255  -7.779  -2.996
  268    HB3  HIS  39           1HB      HIS  39  -0.062  -7.106  -4.103
  269    HD1  HIS  39           1HD      HIS  39   0.484  -8.804  -6.225
  270    HD2  HIS  39           2HD      HIS  39  -3.126  -9.293  -4.225
  271    HE1  HIS  39           1HE      HIS  39  -0.985 -10.103  -7.799
  272    HE2  HIS  39           2HE      HIS  39  -3.160 -10.401  -6.561
  273    H    CYS  40           H        CYS  40   2.558  -7.148  -3.046
  274    HA   CYS  40           HA       CYS  40   2.674  -6.696  -0.165
  275    HB2  CYS  40           2HB      CYS  40   4.809  -7.053  -1.209
  276    HB3  CYS  40           1HB      CYS  40   4.439  -5.907  -2.494
  277    HG   CYS  40           HG       CYS  40   5.051  -5.028   0.427
  278    H    ARG  41           H        ARG  41   2.054  -4.809   0.771
  279    HA   ARG  41           HA       ARG  41   0.212  -3.169  -0.620
  280    HB2  ARG  41           2HB      ARG  41   1.451  -2.826   2.111
  281    HB3  ARG  41           1HB      ARG  41   0.072  -1.920   1.508
  282    HG2  ARG  41           2HG      ARG  41  -1.204  -3.996   1.311
  283    HG3  ARG  41           1HG      ARG  41   0.181  -4.899   1.929
  284    HD2  ARG  41           2HD      ARG  41  -1.293  -4.565   3.759
  285    HD3  ARG  41           1HD      ARG  41   0.067  -3.466   3.987
  286    HE   ARG  41           HE       ARG  41  -1.414  -1.746   3.916
  287   HH11  ARG  41          1HH1      ARG  41  -2.812  -4.454   2.229
  288   HH12  ARG  41          2HH1      ARG  41  -4.313  -3.650   1.917
  289   HH21  ARG  41          1HH2      ARG  41  -3.390  -0.682   3.517
  290   HH22  ARG  41          2HH2      ARG  41  -4.643  -1.506   2.649
  291    H    ASN  42           H        ASN  42   3.548  -3.004  -0.623
  292    HA   ASN  42           HA       ASN  42   3.572  -0.086  -0.891
  293    HB2  ASN  42           2HB      ASN  42   5.599  -2.108  -0.116
  294    HB3  ASN  42           1HB      ASN  42   6.177  -0.699  -0.996
  295   HD21  ASN  42          1HD2      ASN  42   5.344  -1.937   1.980
  296   HD22  ASN  42          2HD2      ASN  42   5.293  -0.466   2.880
  297    H    CYS  43           H        CYS  43   5.426  -2.695  -2.455
  298    HA   CYS  43           HA       CYS  43   5.700  -1.158  -4.839
  299    HB2  CYS  43           2HB      CYS  43   6.832  -3.162  -5.740
  300    HB3  CYS  43           1HB      CYS  43   7.465  -2.680  -4.171
  301    HG   CYS  43           HG       CYS  43   5.572  -4.742  -3.481
  302    H    GLY  44           H        GLY  44   3.431  -3.512  -3.716
  303    HA2  GLY  44           2HA      GLY  44   1.406  -4.131  -4.634
  304    HA3  GLY  44           1HA      GLY  44   1.726  -3.026  -5.961
  305    H    TYR  45           H        TYR  45   4.128  -5.389  -5.271
  306    HA   TYR  45           HA       TYR  45   3.454  -6.767  -7.766
  307    HB2  TYR  45           2HB      TYR  45   5.970  -6.879  -6.093
  308    HB3  TYR  45           1HB      TYR  45   5.727  -7.713  -7.622
  309    HD1  TYR  45           1HD      TYR  45   4.522  -5.738  -9.346
  310    HD2  TYR  45           2HD      TYR  45   7.555  -5.232  -6.405
  311    HE1  TYR  45           1HE      TYR  45   5.364  -3.772 -10.561
  312    HE2  TYR  45           2HE      TYR  45   8.402  -3.263  -7.609
  313    HH   TYR  45           HH       TYR  45   8.328  -2.149  -9.600
  314    H    VAL  46           H        VAL  46   3.827  -9.117  -7.829
  315    HA   VAL  46           HA       VAL  46   2.332 -10.336  -5.694
  316    HB   VAL  46           HB       VAL  46   3.550 -11.622  -8.146
  317   HG11  VAL  46          1HG1      VAL  46   2.062 -13.490  -7.684
  318   HG12  VAL  46          2HG1      VAL  46   1.466 -12.673  -6.238
  319   HG13  VAL  46          3HG1      VAL  46   3.145 -13.206  -6.318
  320   HG21  VAL  46          1HG2      VAL  46   1.932 -10.551  -9.249
  321   HG22  VAL  46          2HG2      VAL  46   1.170 -10.008  -7.754
  322   HG23  VAL  46          3HG2      VAL  46   0.793 -11.602  -8.408
  323    H    LEU  47           H        LEU  47   3.101 -11.455  -4.024
  324    HA   LEU  47           HA       LEU  47   5.870 -12.446  -4.125
  325    HB2  LEU  47           2HB      LEU  47   4.557 -10.945  -1.855
  326    HB3  LEU  47           1HB      LEU  47   6.045 -11.848  -1.685
  327    HG   LEU  47           HG       LEU  47   6.334  -9.392  -1.891
  328   HD11  LEU  47          1HD1      LEU  47   8.291 -10.460  -2.340
  329   HD12  LEU  47          2HD1      LEU  47   8.023  -9.639  -3.877
  330   HD13  LEU  47          3HD1      LEU  47   7.623 -11.344  -3.710
  331   HD21  LEU  47          1HD2      LEU  47   5.685  -8.171  -3.659
  332   HD22  LEU  47          2HD2      LEU  47   4.482  -9.450  -3.818
  333   HD23  LEU  47          3HD2      LEU  47   5.943  -9.488  -4.805
  334    H    CYS  48           H        CYS  48   6.164 -14.446  -3.247
  335    HA   CYS  48           HA       CYS  48   3.814 -15.962  -2.552
  336    HB2  CYS  48           2HB      CYS  48   5.251 -17.879  -2.490
  337    HB3  CYS  48           1HB      CYS  48   5.791 -16.893  -3.846
  338    HG   CYS  48           HG       CYS  48   7.526 -17.771  -1.632
  339    H    GLY  49           H        GLY  49   4.080 -17.434  -0.445
  340    HA2  GLY  49           2HA      GLY  49   3.824 -15.805   1.754
  341    HA3  GLY  49           1HA      GLY  49   4.261 -17.506   1.846
  342    H    ASP  50           H        ASP  50   6.716 -17.700   0.906
  343    HA   ASP  50           HA       ASP  50   8.358 -16.828   2.963
  344    HB2  ASP  50           2HB      ASP  50   8.950 -17.835   0.199
  345    HB3  ASP  50           1HB      ASP  50  10.247 -17.347   1.282
  346    H    CYS  51           H        CYS  51   7.685 -15.248  -0.089
  347    HA   CYS  51           HA       CYS  51   9.681 -13.207   0.451
  348    HB2  CYS  51           2HB      CYS  51   8.028 -13.968  -1.890
  349    HB3  CYS  51           1HB      CYS  51   8.479 -12.270  -1.753
  350    HG   CYS  51           HG       CYS  51  11.006 -13.629  -1.448
  351    H    SER  52           H        SER  52   6.644 -13.786   1.504
  352    HA   SER  52           HA       SER  52   6.140 -10.934   1.951
  353    HB2  SER  52           2HB      SER  52   3.771 -11.222   1.628
  354    HB3  SER  52           1HB      SER  52   4.579 -11.874   0.202
  355    HG   SER  52           HG       SER  52   3.360 -13.257   2.337
  356    H    ARG  53           H        ARG  53   7.419 -13.141   3.468
  357    HA   ARG  53           HA       ARG  53   5.589 -13.764   5.605
  358    HB2  ARG  53           2HB      ARG  53   8.528 -14.300   5.200
  359    HB3  ARG  53           1HB      ARG  53   7.706 -14.693   6.703
  360    HG2  ARG  53           2HG      ARG  53   6.143 -16.120   5.380
  361    HG3  ARG  53           1HG      ARG  53   7.160 -15.820   3.974
  362    HD2  ARG  53           2HD      ARG  53   7.993 -17.147   6.543
  363    HD3  ARG  53           1HD      ARG  53   7.764 -17.930   4.981
  364    HE   ARG  53           HE       ARG  53   9.702 -15.818   4.912
  365   HH11  ARG  53          1HH1      ARG  53   9.188 -19.185   5.640
  366   HH12  ARG  53          2HH1      ARG  53  10.843 -19.627   5.382
  367   HH21  ARG  53          1HH2      ARG  53  11.880 -16.386   4.568
  368   HH22  ARG  53          2HH2      ARG  53  12.374 -18.034   4.772
  369    H    HIS  54           H        HIS  54   7.730 -11.178   4.837
  370    HA   HIS  54           HA       HIS  54   8.224 -10.395   7.551
  371    HB2  HIS  54           2HB      HIS  54   8.607  -8.942   4.928
  372    HB3  HIS  54           1HB      HIS  54   9.107  -8.298   6.483
  373    HD1  HIS  54           1HD      HIS  54   9.814 -11.289   4.253
  374    HD2  HIS  54           2HD      HIS  54  11.628  -8.996   7.206
  375    HE1  HIS  54           1HE      HIS  54  12.189 -12.107   4.376
  376    HE2  HIS  54           2HE      HIS  54  13.263 -10.719   6.184
  377    H    ARG  55           H        ARG  55   7.614  -8.198   8.304
  378    HA   ARG  55           HA       ARG  55   5.091  -7.206   7.240
  379    HB2  ARG  55           2HB      ARG  55   5.228  -7.535  10.200
  380    HB3  ARG  55           1HB      ARG  55   3.828  -7.485   9.132
  381    HG2  ARG  55           2HG      ARG  55   4.372  -9.728   8.318
  382    HG3  ARG  55           1HG      ARG  55   5.748  -9.787   9.421
  383    HD2  ARG  55           2HD      ARG  55   4.107  -9.383  11.293
  384    HD3  ARG  55           1HD      ARG  55   2.823  -9.653  10.115
  385    HE   ARG  55           HE       ARG  55   4.281 -11.866   9.815
  386   HH11  ARG  55          1HH1      ARG  55   3.142 -10.250  12.683
  387   HH12  ARG  55          2HH1      ARG  55   3.031 -11.705  13.614
  388   HH21  ARG  55          1HH2      ARG  55   4.139 -13.788  11.036
  389   HH22  ARG  55          2HH2      ARG  55   3.597 -13.714  12.680
  390    H    ALA  56           H        ALA  56   4.853  -5.043   7.449
  391    HA   ALA  56           HA       ALA  56   6.378  -3.492   9.351
  392    HB1  ALA  56           1HB      ALA  56   7.286  -2.189   7.151
  393    HB2  ALA  56           2HB      ALA  56   7.376  -3.870   6.625
  394    HB3  ALA  56           3HB      ALA  56   8.219  -3.356   8.086
  395    H    ALA  57           H        ALA  57   5.871  -1.226   9.340
  396    HA   ALA  57           HA       ALA  57   3.199  -0.720   8.354
  397    HB1  ALA  57           1HB      ALA  57   3.811   0.012  10.615
  398    HB2  ALA  57           2HB      ALA  57   3.374   1.386   9.598
  399    HB3  ALA  57           3HB      ALA  57   5.071   1.046   9.941
  400    H    ILE  58           H        ILE  58   2.729   1.265   7.114
  401    HA   ILE  58           HA       ILE  58   4.973   2.140   5.446
  402    HB   ILE  58           HB       ILE  58   2.319   1.725   4.154
  403   HG12  ILE  58          2HG1      ILE  58   4.316  -0.476   4.733
  404   HG13  ILE  58          1HG1      ILE  58   2.649  -0.398   5.289
  405   HG21  ILE  58          1HG2      ILE  58   4.150   2.838   2.980
  406   HG22  ILE  58          2HG2      ILE  58   3.713   1.316   2.204
  407   HG23  ILE  58          3HG2      ILE  58   5.162   1.412   3.204
  408   HD11  ILE  58          1HD1      ILE  58   1.857  -1.236   3.377
  409   HD12  ILE  58          2HD1      ILE  58   3.518  -1.767   3.111
  410   HD13  ILE  58          3HD1      ILE  58   2.944  -0.265   2.385
  411    HA   PRO  59           HA       PRO  59   2.501   5.638   7.252
  412    HB2  PRO  59           2HB      PRO  59   4.688   7.196   7.743
  413    HB3  PRO  59           1HB      PRO  59   4.052   6.001   8.880
  414    HG2  PRO  59           2HG      PRO  59   6.318   5.742   6.937
  415    HG3  PRO  59           1HG      PRO  59   6.236   5.228   8.635
  416    HD2  PRO  59           2HD      PRO  59   5.907   3.479   6.627
  417    HD3  PRO  59           1HD      PRO  59   4.975   3.344   8.133
  418    H    MET  60           H        MET  60   4.574   5.319   4.494
  419    HA   MET  60           HA       MET  60   4.087   8.055   3.629
  420    HB2  MET  60           2HB      MET  60   5.463   5.712   2.291
  421    HB3  MET  60           1HB      MET  60   5.331   7.320   1.592
  422    HG2  MET  60           2HG      MET  60   6.580   8.212   3.540
  423    HG3  MET  60           1HG      MET  60   6.799   6.557   4.105
  424    HE1  MET  60           1HE      MET  60   8.971   7.891   4.248
  425    HE2  MET  60           2HE      MET  60   9.987   8.354   2.883
  426    HE3  MET  60           3HE      MET  60  10.082   6.720   3.538
  427    H    ARG  61           H        ARG  61   3.097   4.780   3.035
  428    HA   ARG  61           HA       ARG  61   1.301   5.452   0.868
  429    HB2  ARG  61           2HB      ARG  61   1.537   2.860   2.391
  430    HB3  ARG  61           1HB      ARG  61   0.807   3.098   0.809
  431    HG2  ARG  61           2HG      ARG  61   3.722   3.489   1.453
  432    HG3  ARG  61           1HG      ARG  61   3.027   2.069   0.671
  433    HD2  ARG  61           2HD      ARG  61   2.797   4.865  -0.414
  434    HD3  ARG  61           1HD      ARG  61   4.074   3.738  -0.874
  435    HE   ARG  61           HE       ARG  61   1.826   2.326  -1.352
  436   HH11  ARG  61          1HH1      ARG  61   2.862   5.519  -2.260
  437   HH12  ARG  61          2HH1      ARG  61   1.987   5.521  -3.754
  438   HH21  ARG  61          1HH2      ARG  61   0.667   2.311  -3.315
  439   HH22  ARG  61          2HH2      ARG  61   0.736   3.695  -4.356
  440    H    GLY  62           H        GLY  62   1.127   6.098   3.995
  441    HA2  GLY  62           2HA      GLY  62  -0.747   6.950   5.127
  442    HA3  GLY  62           1HA      GLY  62  -1.785   6.100   3.994
  443    H    ILE  63           H        ILE  63   0.662   4.105   5.175
  444    HA   ILE  63           HA       ILE  63  -1.251   2.797   6.968
  445    HB   ILE  63           HB       ILE  63   1.293   1.747   5.720
  446   HG12  ILE  63          2HG1      ILE  63  -1.574   1.086   5.023
  447   HG13  ILE  63          1HG1      ILE  63  -0.600   2.258   4.143
  448   HG21  ILE  63          1HG2      ILE  63  -0.795   0.429   7.429
  449   HG22  ILE  63          2HG2      ILE  63   0.943   0.534   7.708
  450   HG23  ILE  63          3HG2      ILE  63   0.320  -0.478   6.405
  451   HD11  ILE  63          1HD1      ILE  63   0.815   0.618   3.293
  452   HD12  ILE  63          2HD1      ILE  63  -0.794  -0.096   3.193
  453   HD13  ILE  63          3HD1      ILE  63   0.304  -0.572   4.490
  454    H    THR  64           H        THR  64  -1.009   3.662   8.957
  455    HA   THR  64           HA       THR  64   1.631   4.297   9.989
  456    HB   THR  64           HB       THR  64   0.370   5.127  11.974
  457    HG1  THR  64           1HG      THR  64  -1.446   3.687  11.651
  458   HG21  THR  64          1HG2      THR  64   0.786   6.479   9.800
  459   HG22  THR  64          2HG2      THR  64  -0.326   7.097  11.024
  460   HG23  THR  64          3HG2      THR  64  -0.957   6.306   9.580
  461    H    GLU  65           H        GLU  65  -0.517   1.662  10.053
  462    HA   GLU  65           HA       GLU  65   0.773   0.554  12.450
  463    HB2  GLU  65           2HB      GLU  65  -1.498  -0.831  11.098
  464    HB3  GLU  65           1HB      GLU  65  -1.094  -0.752  12.808
  465    HG2  GLU  65           2HG      GLU  65  -1.990   1.434  13.008
  466    HG3  GLU  65           1HG      GLU  65  -2.151   1.594  11.260
  467    HA   PRO  66           HA       PRO  66   3.341  -2.003   9.988
  468    HB2  PRO  66           2HB      PRO  66   3.246  -4.327  11.539
  469    HB3  PRO  66           1HB      PRO  66   4.365  -2.981  11.779
  470    HG2  PRO  66           2HG      PRO  66   1.794  -3.583  13.174
  471    HG3  PRO  66           1HG      PRO  66   3.299  -2.915  13.833
  472    HD2  PRO  66           2HD      PRO  66   1.174  -1.354  13.349
  473    HD3  PRO  66           1HD      PRO  66   2.830  -0.773  13.059
  474    H    GLU  67           H        GLU  67   2.773  -2.872   8.152
  475    HA   GLU  67           HA       GLU  67   0.607  -4.859   8.096
  476    HB2  GLU  67           2HB      GLU  67   1.200  -2.702   6.063
  477    HB3  GLU  67           1HB      GLU  67   0.020  -3.983   5.840
  478    HG2  GLU  67           2HG      GLU  67  -0.061  -1.873   7.980
  479    HG3  GLU  67           1HG      GLU  67  -1.037  -1.899   6.514
  480    H    ARG  68           H        ARG  68   0.716  -6.230   6.067
  481    HA   ARG  68           HA       ARG  68   3.297  -7.420   5.950
  482    HB2  ARG  68           2HB      ARG  68   0.885  -7.981   4.230
  483    HB3  ARG  68           1HB      ARG  68   2.295  -9.015   4.434
  484    HG2  ARG  68           2HG      ARG  68   1.750  -9.170   6.857
  485    HG3  ARG  68           1HG      ARG  68   0.252  -8.303   6.518
  486    HD2  ARG  68           2HD      ARG  68  -0.272 -10.111   4.839
  487    HD3  ARG  68           1HD      ARG  68   1.100 -11.002   5.494
  488    HE   ARG  68           HE       ARG  68  -0.155 -11.519   7.340
  489   HH11  ARG  68          1HH1      ARG  68  -1.705  -8.952   5.571
  490   HH12  ARG  68          2HH1      ARG  68  -3.159  -9.005   6.512
  491   HH21  ARG  68          1HH2      ARG  68  -2.062 -11.596   8.589
  492   HH22  ARG  68          2HH2      ARG  68  -3.361 -10.509   8.228
  493    H    VAL  69           H        VAL  69   4.794  -7.454   4.415
  494    HA   VAL  69           HA       VAL  69   4.420  -6.087   1.860
  495    HB   VAL  69           HB       VAL  69   6.554  -4.846   2.123
  496   HG11  VAL  69          1HG1      VAL  69   4.456  -3.676   2.372
  497   HG12  VAL  69          2HG1      VAL  69   5.640  -3.038   3.516
  498   HG13  VAL  69          3HG1      VAL  69   4.374  -4.130   4.077
  499   HG21  VAL  69          1HG2      VAL  69   7.732  -5.924   3.821
  500   HG22  VAL  69          2HG2      VAL  69   6.347  -5.921   4.915
  501   HG23  VAL  69          3HG2      VAL  69   7.207  -4.419   4.581
  502    H    CYS  70           H        CYS  70   6.748  -6.214   0.729
  503    HA   CYS  70           HA       CYS  70   7.502  -9.030   0.859
  504    HB2  CYS  70           2HB      CYS  70   8.283  -8.846  -1.332
  505    HB3  CYS  70           1HB      CYS  70   6.914  -7.743  -1.332
  506    HG   CYS  70           HG       CYS  70   9.675  -6.988  -2.048
  507    H    ASP  71           H        ASP  71  10.137  -8.734  -0.188
  508    HA   ASP  71           HA       ASP  71  11.451  -7.979   2.284
  509    HB2  ASP  71           2HB      ASP  71  12.549  -9.192  -0.262
  510    HB3  ASP  71           1HB      ASP  71  13.497  -8.895   1.193
  511    H    ALA  72           H        ALA  72  11.494  -6.828  -1.076
  512    HA   ALA  72           HA       ALA  72  13.546  -4.919  -0.649
  513    HB1  ALA  72           1HB      ALA  72  11.473  -4.415  -2.714
  514    HB2  ALA  72           2HB      ALA  72  12.457  -5.871  -2.861
  515    HB3  ALA  72           3HB      ALA  72  13.228  -4.286  -2.816
  516    H    CYS  73           H        CYS  73  10.012  -4.650  -0.587
  517    HA   CYS  73           HA       CYS  73   9.915  -1.875  -0.103
  518    HB2  CYS  73           2HB      CYS  73   7.919  -4.038   0.607
  519    HB3  CYS  73           1HB      CYS  73   7.593  -2.307   0.652
  520    HG   CYS  73           HG       CYS  73   8.419  -3.492  -2.071
  521    H    TYR  74           H        TYR  74  10.005  -4.684   2.047
  522    HA   TYR  74           HA       TYR  74   9.623  -3.378   4.480
  523    HB2  TYR  74           2HB      TYR  74   9.654  -5.828   4.231
  524    HB3  TYR  74           1HB      TYR  74  11.370  -5.777   3.857
  525    HD1  TYR  74           1HD      TYR  74   8.926  -4.975   6.547
  526    HD2  TYR  74           2HD      TYR  74  12.944  -5.966   5.566
  527    HE1  TYR  74           1HE      TYR  74   9.440  -5.235   8.939
  528    HE2  TYR  74           2HE      TYR  74  13.471  -6.223   7.954
  529    HH   TYR  74           HH       TYR  74  11.517  -6.760  10.226
  530    H    LEU  75           H        LEU  75  12.508  -3.853   2.528
  531    HA   LEU  75           HA       LEU  75  14.344  -2.670   4.356
  532    HB2  LEU  75           2HB      LEU  75  14.382  -3.534   1.519
  533    HB3  LEU  75           1HB      LEU  75  15.612  -2.399   2.032
  534    HG   LEU  75           HG       LEU  75  15.151  -4.964   3.528
  535   HD11  LEU  75          1HD1      LEU  75  16.861  -4.537   1.082
  536   HD12  LEU  75          2HD1      LEU  75  15.512  -5.659   1.260
  537   HD13  LEU  75          3HD1      LEU  75  17.001  -5.920   2.170
  538   HD21  LEU  75          1HD2      LEU  75  17.024  -4.436   4.653
  539   HD22  LEU  75          2HD2      LEU  75  16.685  -2.796   4.098
  540   HD23  LEU  75          3HD2      LEU  75  17.831  -3.805   3.217
  541    H    ALA  76           H        ALA  76  12.806  -1.408   1.404
  542    HA   ALA  76           HA       ALA  76  14.027   1.074   1.388
  543    HB1  ALA  76           1HB      ALA  76  12.804   0.394  -0.529
  544    HB2  ALA  76           2HB      ALA  76  11.998   1.834   0.094
  545    HB3  ALA  76           3HB      ALA  76  11.310   0.238   0.395
  546    H    LEU  77           H        LEU  77  10.999   0.152   3.001
  547    HA   LEU  77           HA       LEU  77  10.373   2.721   3.991
  548    HB2  LEU  77           2HB      LEU  77   9.696  -0.004   5.085
  549    HB3  LEU  77           1HB      LEU  77   8.981   1.494   5.642
  550    HG   LEU  77           HG       LEU  77   8.754   0.512   2.801
  551   HD11  LEU  77          1HD1      LEU  77   6.335   0.372   4.363
  552   HD12  LEU  77          2HD1      LEU  77   7.603  -0.638   5.060
  553   HD13  LEU  77          3HD1      LEU  77   7.117  -0.869   3.382
  554   HD21  LEU  77          1HD2      LEU  77   7.204   2.590   4.351
  555   HD22  LEU  77          2HD2      LEU  77   6.920   2.119   2.675
  556   HD23  LEU  77          3HD2      LEU  77   8.425   2.923   3.123
  557    H    ARG  78           H        ARG  78  12.299   0.083   5.280
  558    HA   ARG  78           HA       ARG  78  12.695   1.099   7.863
  559    HB2  ARG  78           2HB      ARG  78  14.348  -0.769   6.176
  560    HB3  ARG  78           1HB      ARG  78  14.694  -0.423   7.866
  561    HG2  ARG  78           2HG      ARG  78  12.653  -1.390   8.574
  562    HG3  ARG  78           1HG      ARG  78  12.052  -1.493   6.921
  563    HD2  ARG  78           2HD      ARG  78  12.747  -3.640   7.177
  564    HD3  ARG  78           1HD      ARG  78  14.258  -2.934   6.616
  565    HE   ARG  78           HE       ARG  78  13.662  -3.905   9.281
  566   HH11  ARG  78          1HH1      ARG  78  15.805  -2.037   7.265
  567   HH12  ARG  78          2HH1      ARG  78  17.153  -2.192   8.341
  568   HH21  ARG  78          1HH2      ARG  78  15.428  -4.108  10.699
  569   HH22  ARG  78          2HH2      ARG  78  16.940  -3.368  10.291
  570    H    SER  79           H        SER  79  13.764   2.384   4.951
  571    HA   SER  79           HA       SER  79  16.388   3.165   5.508
  572    HB2  SER  79           2HB      SER  79  14.298   4.651   3.897
  573    HB3  SER  79           1HB      SER  79  16.041   4.899   3.807
  574    HG   SER  79           HG       SER  79  14.867   3.392   2.242
  575    H    SER  80           H        SER  80  17.232   5.169   6.233
  576    HA   SER  80           HA       SER  80  15.415   6.665   8.006
  577    HB2  SER  80           2HB      SER  80  18.351   6.073   8.466
  578    HB3  SER  80           1HB      SER  80  17.299   6.992   9.542
  579    HG   SER  80           HG       SER  80  16.235   5.174  10.082
  580    H    ASN  81           H        ASN  81  15.682   8.897   8.131
  581    HA   ASN  81           HA       ASN  81  17.043  10.059   5.829
  582    HB2  ASN  81           2HB      ASN  81  15.087  11.243   7.809
  583    HB3  ASN  81           1HB      ASN  81  15.810  12.137   6.476
  584   HD21  ASN  81          1HD2      ASN  81  13.144  12.029   6.606
  585   HD22  ASN  81          2HD2      ASN  81  12.506  10.995   5.378
  586    H    MET  82           H        MET  82  18.781  11.377   5.944
  587    HA   MET  82           HA       MET  82  20.194  11.515   8.465
  588    HB2  MET  82           2HB      MET  82  20.915  12.515   5.704
  589    HB3  MET  82           1HB      MET  82  21.980  12.595   7.099
  590    HG2  MET  82           2HG      MET  82  21.889  10.129   7.257
  591    HG3  MET  82           1HG      MET  82  20.929  10.105   5.779
  592    HE1  MET  82           1HE      MET  82  24.446   8.722   4.748
  593    HE2  MET  82           2HE      MET  82  22.786   8.642   4.156
  594    HE3  MET  82           3HE      MET  82  23.131   8.338   5.859
  595    H    ALA  83           H        ALA  83  20.334  13.228   9.780
  596    HA   ALA  83           HA       ALA  83  18.590  15.412   9.531
  597    HB1  ALA  83           1HB      ALA  83  19.722  16.330  11.474
  598    HB2  ALA  83           2HB      ALA  83  21.052  15.194  11.257
  599    HB3  ALA  83           3HB      ALA  83  19.447  14.600  11.680
  600    H    GLY  84           H        GLY  84  18.926  17.577   9.016
  601    HA2  GLY  84           2HA      GLY  84  21.227  18.939   8.498
  602    HA3  GLY  84           1HA      GLY  84  20.939  18.043   7.013
  Start of MODEL    5
    1    H1   GLY   1           1HT      GLY   1  23.219  15.356   3.956
    2    H2   GLY   1           2HT      GLY   1  21.753  16.199   3.982
    3    H3   GLY   1           3HT      GLY   1  23.151  16.951   3.398
    4    HA2  GLY   1           1HA      GLY   1  22.314  16.398   1.400
    5    HA3  GLY   1           2HA      GLY   1  23.101  14.871   1.773
    6    HA   PRO   2           HA       PRO   2  18.325  14.396   2.798
    7    HB2  PRO   2           2HB      PRO   2  16.799  16.123   1.282
    8    HB3  PRO   2           1HB      PRO   2  17.207  16.375   2.982
    9    HG2  PRO   2           2HG      PRO   2  18.480  17.529   0.536
   10    HG3  PRO   2           1HG      PRO   2  18.116  18.310   2.086
   11    HD2  PRO   2           2HD      PRO   2  20.601  17.510   1.465
   12    HD3  PRO   2           1HD      PRO   2  19.978  17.400   3.124
   13    H    LEU   3           H        LEU   3  17.086  12.971   1.612
   14    HA   LEU   3           HA       LEU   3  18.118  12.272  -0.992
   15    HB2  LEU   3           2HB      LEU   3  15.812  11.038   0.513
   16    HB3  LEU   3           1HB      LEU   3  16.668  10.340  -0.848
   17    HG   LEU   3           HG       LEU   3  17.769  10.795   1.923
   18   HD11  LEU   3          1HD1      LEU   3  17.190   8.275   0.372
   19   HD12  LEU   3          2HD1      LEU   3  16.269   8.888   1.746
   20   HD13  LEU   3          3HD1      LEU   3  17.936   8.357   1.968
   21   HD21  LEU   3          1HD2      LEU   3  19.830   9.845   1.160
   22   HD22  LEU   3          2HD2      LEU   3  19.434  11.212   0.118
   23   HD23  LEU   3          3HD2      LEU   3  19.162   9.565  -0.449
   24    H    GLY   4           H        GLY   4  17.147  12.545  -2.938
   25    HA2  GLY   4           2HA      GLY   4  14.552  13.963  -2.930
   26    HA3  GLY   4           1HA      GLY   4  15.845  14.327  -4.064
   27    H    SER   5           H        SER   5  12.936  12.942  -3.894
   28    HA   SER   5           HA       SER   5  13.584  10.986  -6.001
   29    HB2  SER   5           2HB      SER   5  11.348  10.801  -3.965
   30    HB3  SER   5           1HB      SER   5  11.666   9.640  -5.255
   31    HG   SER   5           HG       SER   5  13.575  10.305  -3.271
   32    H    MET   6           H        MET   6  12.228  10.893  -7.785
   33    HA   MET   6           HA       MET   6  10.093  12.904  -7.935
   34    HB2  MET   6           2HB      MET   6  12.256  12.456  -9.998
   35    HB3  MET   6           1HB      MET   6  10.824  13.442 -10.257
   36    HG2  MET   6           2HG      MET   6  11.542  14.859  -8.338
   37    HG3  MET   6           1HG      MET   6  13.042  13.934  -8.288
   38    HE1  MET   6           1HE      MET   6  11.723  16.713 -11.721
   39    HE2  MET   6           2HE      MET   6  10.990  16.716 -10.117
   40    HE3  MET   6           3HE      MET   6  10.783  15.323 -11.178
   41    H    GLY   7           H        GLY   7   8.624  12.534  -9.816
   42    HA2  GLY   7           2HA      GLY   7   7.397  11.163 -11.223
   43    HA3  GLY   7           1HA      GLY   7   8.634   9.930 -11.041
   44    H    GLU   8           H        GLU   8   6.763  11.508  -8.488
   45    HA   GLU   8           HA       GLU   8   6.032   8.921  -7.423
   46    HB2  GLU   8           2HB      GLU   8   5.376  11.718  -6.475
   47    HB3  GLU   8           1HB      GLU   8   4.989  10.243  -5.599
   48    HG2  GLU   8           2HG      GLU   8   6.918  10.917  -4.561
   49    HG3  GLU   8           1HG      GLU   8   7.534   9.782  -5.761
   50    H    LYS   9           H        LYS   9   4.836  10.451  -9.944
   51    HA   LYS   9           HA       LYS   9   2.085  10.722  -9.496
   52    HB2  LYS   9           2HB      LYS   9   3.305  11.495 -11.537
   53    HB3  LYS   9           1HB      LYS   9   3.443   9.819 -12.046
   54    HG2  LYS   9           2HG      LYS   9   1.001   9.651 -12.134
   55    HG3  LYS   9           1HG      LYS   9   0.878  11.345 -11.655
   56    HD2  LYS   9           2HD      LYS   9   2.171  11.963 -13.678
   57    HD3  LYS   9           1HD      LYS   9   2.157  10.268 -14.167
   58    HE2  LYS   9           2HE      LYS   9  -0.493  11.265 -13.513
   59    HE3  LYS   9           1HE      LYS   9   0.268  12.179 -14.814
   60    HZ1  LYS   9           1HZ      LYS   9   0.429   9.269 -14.962
   61    HZ2  LYS   9           2HZ      LYS   9   0.244  10.406 -16.200
   62    HZ3  LYS   9           3HZ      LYS   9  -1.085   9.968 -15.251
   63    H    GLN  10           H        GLN  10   4.105   7.999  -9.553
   64    HA   GLN  10           HA       GLN  10   2.525   5.949 -10.522
   65    HB2  GLN  10           2HB      GLN  10   4.845   5.636  -9.893
   66    HB3  GLN  10           1HB      GLN  10   4.470   5.964  -8.205
   67    HG2  GLN  10           2HG      GLN  10   3.114   3.933  -8.116
   68    HG3  GLN  10           1HG      GLN  10   3.478   3.614  -9.812
   69   HE21  GLN  10          1HE2      GLN  10   4.056   1.680  -8.071
   70   HE22  GLN  10          2HE2      GLN  10   5.761   1.559  -7.814
   71    H    SER  11           H        SER  11   0.968   4.604  -9.648
   72    HA   SER  11           HA       SER  11  -0.863   5.722  -7.846
   73    HB2  SER  11           2HB      SER  11  -0.565   2.813  -8.636
   74    HB3  SER  11           1HB      SER  11  -1.995   3.545  -7.912
   75    HG   SER  11           HG       SER  11  -1.593   5.040  -9.927
   76    H    LYS  12           H        LYS  12  -1.530   4.934  -5.752
   77    HA   LYS  12           HA       LYS  12   0.529   4.820  -3.888
   78    HB2  LYS  12           2HB      LYS  12  -2.337   3.899  -3.622
   79    HB3  LYS  12           1HB      LYS  12  -1.231   4.111  -2.272
   80    HG2  LYS  12           2HG      LYS  12  -0.995   6.507  -2.957
   81    HG3  LYS  12           1HG      LYS  12  -2.299   6.232  -4.114
   82    HD2  LYS  12           2HD      LYS  12  -2.504   5.778  -1.138
   83    HD3  LYS  12           1HD      LYS  12  -3.082   7.216  -1.982
   84    HE2  LYS  12           2HE      LYS  12  -4.398   5.497  -3.433
   85    HE3  LYS  12           1HE      LYS  12  -4.130   4.419  -2.063
   86    HZ1  LYS  12           1HZ      LYS  12  -6.247   5.861  -2.138
   87    HZ2  LYS  12           2HZ      LYS  12  -5.234   7.115  -1.623
   88    HZ3  LYS  12           3HZ      LYS  12  -5.405   5.723  -0.677
   89    H    GLY  13           H        GLY  13  -1.118   2.243  -5.600
   90    HA2  GLY  13           2HA      GLY  13   0.956   0.388  -4.982
   91    HA3  GLY  13           1HA      GLY  13  -0.491   0.044  -4.049
   92    H    TYR  14           H        TYR  14   0.993  -0.019  -7.178
   93    HA   TYR  14           HA       TYR  14  -1.392  -0.829  -8.573
   94    HB2  TYR  14           2HB      TYR  14   0.442   0.372  -9.713
   95    HB3  TYR  14           1HB      TYR  14   1.495  -1.014  -9.453
   96    HD1  TYR  14           1HD      TYR  14  -1.440   0.229 -11.292
   97    HD2  TYR  14           2HD      TYR  14   1.306  -2.985 -10.817
   98    HE1  TYR  14           1HE      TYR  14  -2.233  -0.751 -13.403
   99    HE2  TYR  14           2HE      TYR  14   0.523  -3.975 -12.928
  100    HH   TYR  14           HH       TYR  14  -2.084  -2.466 -14.810
  101    H    TRP  15           H        TRP  15  -2.214  -2.800  -8.593
  102    HA   TRP  15           HA       TRP  15  -0.674  -5.012  -7.474
  103    HB2  TRP  15           2HB      TRP  15  -2.842  -6.224  -7.520
  104    HB3  TRP  15           1HB      TRP  15  -2.919  -4.719  -6.610
  105    HD1  TRP  15           HD       TRP  15  -4.405  -6.473  -9.603
  106    HE1  TRP  15           1HE      TRP  15  -6.266  -5.013 -10.615
  107    HE3  TRP  15           3HE      TRP  15  -3.583  -2.167  -6.968
  108    HZ2  TRP  15           2HZ      TRP  15  -7.257  -2.384 -10.332
  109    HZ3  TRP  15           3HZ      TRP  15  -5.033  -0.226  -7.398
  110    HH2  TRP  15           HH       TRP  15  -6.831  -0.334  -9.046
  111    H    GLN  16           H        GLN  16   0.441  -6.306  -8.761
  112    HA   GLN  16           HA       GLN  16  -0.121  -6.430 -11.610
  113    HB2  GLN  16           2HB      GLN  16   2.220  -6.312 -10.704
  114    HB3  GLN  16           1HB      GLN  16   1.983  -7.912 -10.016
  115    HG2  GLN  16           2HG      GLN  16   1.576  -8.783 -12.294
  116    HG3  GLN  16           1HG      GLN  16   1.959  -7.184 -12.932
  117   HE21  GLN  16          1HE2      GLN  16   3.984  -6.812 -13.471
  118   HE22  GLN  16          2HE2      GLN  16   5.357  -7.723 -12.953
  119    H    GLU  17           H        GLU  17  -1.218  -7.927 -12.606
  120    HA   GLU  17           HA       GLU  17  -2.851  -9.717 -11.276
  121    HB2  GLU  17           2HB      GLU  17  -1.985  -9.744 -14.167
  122    HB3  GLU  17           1HB      GLU  17  -3.329 -10.672 -13.513
  123    HG2  GLU  17           2HG      GLU  17  -4.417  -8.569 -12.838
  124    HG3  GLU  17           1HG      GLU  17  -3.093  -7.673 -13.580
  125    H    ASP  18           H        ASP  18  -2.992 -11.988 -11.316
  126    HA   ASP  18           HA       ASP  18  -0.730 -13.398 -10.453
  127    HB2  ASP  18           2HB      ASP  18  -2.148 -15.407 -10.771
  128    HB3  ASP  18           1HB      ASP  18  -2.949 -14.124  -9.870
  129    H    GLU  19           H        GLU  19  -2.294 -13.329 -13.633
  130    HA   GLU  19           HA       GLU  19  -0.658 -15.296 -14.806
  131    HB2  GLU  19           2HB      GLU  19  -2.247 -13.052 -16.047
  132    HB3  GLU  19           1HB      GLU  19  -1.461 -14.323 -16.972
  133    HG2  GLU  19           2HG      GLU  19  -2.827 -15.994 -15.786
  134    HG3  GLU  19           1HG      GLU  19  -3.648 -14.684 -14.936
  135    H    ASP  20           H        ASP  20  -0.388 -11.773 -14.710
  136    HA   ASP  20           HA       ASP  20   1.855 -11.625 -16.430
  137    HB2  ASP  20           2HB      ASP  20   0.849  -9.700 -14.323
  138    HB3  ASP  20           1HB      ASP  20   2.139  -9.331 -15.462
  139    H    ALA  21           H        ALA  21   1.461 -12.113 -13.010
  140    HA   ALA  21           HA       ALA  21   4.389 -12.239 -12.678
  141    HB1  ALA  21           1HB      ALA  21   2.549 -10.816 -11.201
  142    HB2  ALA  21           2HB      ALA  21   4.189 -11.225 -10.697
  143    HB3  ALA  21           3HB      ALA  21   2.838 -12.250 -10.215
  144    HA   PRO  22           HA       PRO  22   2.796 -16.621 -12.405
  145    HB2  PRO  22           2HB      PRO  22   4.682 -17.688 -14.025
  146    HB3  PRO  22           1HB      PRO  22   3.194 -16.967 -14.644
  147    HG2  PRO  22           2HG      PRO  22   5.932 -15.773 -14.454
  148    HG3  PRO  22           1HG      PRO  22   4.781 -15.716 -15.803
  149    HD2  PRO  22           2HD      PRO  22   5.095 -13.660 -14.073
  150    HD3  PRO  22           1HD      PRO  22   3.535 -14.037 -14.833
  151    H    ALA  23           H        ALA  23   5.719 -14.966 -11.792
  152    HA   ALA  23           HA       ALA  23   6.510 -17.039  -9.866
  153    HB1  ALA  23           1HB      ALA  23   8.928 -16.007 -10.655
  154    HB2  ALA  23           2HB      ALA  23   8.043 -16.126 -12.177
  155    HB3  ALA  23           3HB      ALA  23   8.257 -17.556 -11.167
  156    H    CYS  24           H        CYS  24   7.840 -16.206  -8.090
  157    HA   CYS  24           HA       CYS  24   6.843 -13.807  -7.068
  158    HB2  CYS  24           2HB      CYS  24   7.817 -15.782  -5.796
  159    HB3  CYS  24           1HB      CYS  24   9.405 -15.118  -6.171
  160    HG   CYS  24           HG       CYS  24   7.622 -13.106  -4.766
  161    H    ASN  25           H        ASN  25   7.333 -11.799  -7.453
  162    HA   ASN  25           HA       ASN  25   9.323 -10.943  -9.234
  163    HB2  ASN  25           2HB      ASN  25   7.759  -9.417  -7.147
  164    HB3  ASN  25           1HB      ASN  25   8.757  -8.661  -8.383
  165   HD21  ASN  25          1HD2      ASN  25   8.247  -9.685 -10.656
  166   HD22  ASN  25          2HD2      ASN  25   6.567  -9.710 -11.056
  167    H    GLY  26           H        GLY  26   9.408 -11.534  -5.805
  168    HA2  GLY  26           2HA      GLY  26  11.820  -9.979  -5.421
  169    HA3  GLY  26           1HA      GLY  26  10.971 -10.909  -4.202
  170    H    CYS  27           H        CYS  27  11.040 -13.452  -4.977
  171    HA   CYS  27           HA       CYS  27  13.925 -13.973  -5.117
  172    HB2  CYS  27           2HB      CYS  27  13.458 -16.091  -4.017
  173    HB3  CYS  27           1HB      CYS  27  12.747 -14.764  -3.104
  174    HG   CYS  27           HG       CYS  27  10.427 -15.524  -4.325
  175    H    GLY  28           H        GLY  28  11.346 -14.035  -7.199
  176    HA2  GLY  28           2HA      GLY  28  11.185 -14.893  -9.318
  177    HA3  GLY  28           1HA      GLY  28  12.807 -15.533  -9.120
  178    H    CYS  29           H        CYS  29  10.830 -16.609  -6.613
  179    HA   CYS  29           HA       CYS  29  10.910 -19.286  -7.574
  180    HB2  CYS  29           2HB      CYS  29   9.935 -19.930  -5.536
  181    HB3  CYS  29           1HB      CYS  29  10.901 -18.516  -5.126
  182    HG   CYS  29           HG       CYS  29   8.766 -17.910  -4.012
  183    H    VAL  30           H        VAL  30   9.303 -20.585  -8.355
  184    HA   VAL  30           HA       VAL  30   7.194 -19.209  -9.757
  185    HB   VAL  30           HB       VAL  30   7.241 -22.166  -9.700
  186   HG11  VAL  30          1HG1      VAL  30   6.440 -19.997 -11.480
  187   HG12  VAL  30          2HG1      VAL  30   5.810 -21.636 -11.330
  188   HG13  VAL  30          3HG1      VAL  30   7.251 -21.333 -12.299
  189   HG21  VAL  30          1HG2      VAL  30   9.094 -21.953 -11.529
  190   HG22  VAL  30          2HG2      VAL  30   9.540 -22.036  -9.825
  191   HG23  VAL  30          3HG2      VAL  30   9.512 -20.480 -10.654
  192    H    PHE  31           H        PHE  31   5.058 -19.246  -9.360
  193    HA   PHE  31           HA       PHE  31   4.193 -20.155  -6.756
  194    HB2  PHE  31           2HB      PHE  31   2.654 -18.791  -8.979
  195    HB3  PHE  31           1HB      PHE  31   2.028 -19.121  -7.366
  196    HD1  PHE  31           2HD      PHE  31   3.203 -18.044  -5.387
  197    HD2  PHE  31           1HD      PHE  31   3.850 -16.841  -9.417
  198    HE1  PHE  31           2HE      PHE  31   4.099 -15.894  -4.597
  199    HE2  PHE  31           1HE      PHE  31   4.748 -14.689  -8.634
  200    HZ   PHE  31           HZ       PHE  31   4.874 -14.212  -6.221
  201    H    THR  32           H        THR  32   3.051 -21.883  -6.309
  202    HA   THR  32           HA       THR  32   2.057 -23.545  -8.529
  203    HB   THR  32           HB       THR  32   2.799 -25.525  -7.434
  204    HG1  THR  32           1HG      THR  32   3.367 -23.830  -5.243
  205   HG21  THR  32          1HG2      THR  32   5.248 -24.243  -6.680
  206   HG22  THR  32          2HG2      THR  32   4.644 -23.572  -8.196
  207   HG23  THR  32          3HG2      THR  32   4.910 -25.309  -8.045
  208    H    THR  33           H        THR  33   0.536 -25.302  -7.636
  209    HA   THR  33           HA       THR  33  -1.812 -24.164  -6.754
  210    HB   THR  33           HB       THR  33  -2.592 -26.423  -6.314
  211    HG1  THR  33           1HG      THR  33  -0.722 -27.180  -5.221
  212   HG21  THR  33          1HG2      THR  33  -1.454 -25.622  -8.746
  213   HG22  THR  33          2HG2      THR  33  -2.686 -26.854  -8.474
  214   HG23  THR  33          3HG2      THR  33  -0.981 -27.302  -8.496
  215    H    THR  34           H        THR  34   0.754 -25.617  -4.768
  216    HA   THR  34           HA       THR  34  -0.797 -25.329  -2.366
  217    HB   THR  34           HB       THR  34   1.178 -26.140  -1.199
  218    HG1  THR  34           1HG      THR  34   3.095 -25.869  -1.987
  219   HG21  THR  34          1HG2      THR  34   1.732 -28.185  -2.597
  220   HG22  THR  34          2HG2      THR  34   0.581 -27.549  -3.772
  221   HG23  THR  34          3HG2      THR  34   0.045 -27.951  -2.141
  222    H    VAL  35           H        VAL  35   1.386 -23.282  -4.134
  223    HA   VAL  35           HA       VAL  35   1.746 -21.555  -1.798
  224    HB   VAL  35           HB       VAL  35   2.937 -21.486  -4.554
  225   HG11  VAL  35          1HG1      VAL  35   4.242 -19.521  -3.730
  226   HG12  VAL  35          2HG1      VAL  35   3.141 -19.444  -2.354
  227   HG13  VAL  35          3HG1      VAL  35   2.525 -19.205  -3.990
  228   HG21  VAL  35          1HG2      VAL  35   3.728 -22.633  -2.073
  229   HG22  VAL  35          2HG2      VAL  35   4.855 -21.339  -2.485
  230   HG23  VAL  35          3HG2      VAL  35   4.573 -22.660  -3.621
  231    H    ARG  36           H        ARG  36   0.232 -20.178  -1.394
  232    HA   ARG  36           HA       ARG  36  -1.676 -19.247  -3.317
  233    HB2  ARG  36           2HB      ARG  36  -1.097 -18.360  -0.483
  234    HB3  ARG  36           1HB      ARG  36  -2.447 -17.782  -1.450
  235    HG2  ARG  36           2HG      ARG  36  -3.293 -20.095  -1.593
  236    HG3  ARG  36           1HG      ARG  36  -1.977 -20.612  -0.535
  237    HD2  ARG  36           2HD      ARG  36  -4.162 -18.643   0.141
  238    HD3  ARG  36           1HD      ARG  36  -4.014 -20.292   0.748
  239    HE   ARG  36           HE       ARG  36  -1.682 -18.822   1.359
  240   HH11  ARG  36          1HH1      ARG  36  -5.032 -19.110   2.270
  241   HH12  ARG  36          2HH1      ARG  36  -4.768 -18.579   3.897
  242   HH21  ARG  36          1HH2      ARG  36  -1.325 -18.122   3.501
  243   HH22  ARG  36          2HH2      ARG  36  -2.662 -18.016   4.597
  244    H    ARG  37           H        ARG  37  -1.859 -17.257  -4.248
  245    HA   ARG  37           HA       ARG  37   0.614 -15.780  -4.555
  246    HB2  ARG  37           2HB      ARG  37  -0.979 -16.390  -6.441
  247    HB3  ARG  37           1HB      ARG  37  -2.063 -15.164  -5.802
  248    HG2  ARG  37           2HG      ARG  37  -0.330 -13.467  -6.145
  249    HG3  ARG  37           1HG      ARG  37   0.731 -14.707  -6.823
  250    HD2  ARG  37           2HD      ARG  37  -1.929 -13.795  -7.912
  251    HD3  ARG  37           1HD      ARG  37  -0.339 -13.501  -8.615
  252    HE   ARG  37           HE       ARG  37  -1.911 -15.892  -8.830
  253   HH11  ARG  37          1HH1      ARG  37   1.311 -14.586  -8.910
  254   HH12  ARG  37          2HH1      ARG  37   1.954 -15.883  -9.860
  255   HH21  ARG  37          1HH2      ARG  37  -1.079 -17.602 -10.089
  256   HH22  ARG  37          2HH2      ARG  37   0.595 -17.595 -10.533
  257    H    HIS  38           H        HIS  38   0.992 -13.678  -3.903
  258    HA   HIS  38           HA       HIS  38  -1.139 -12.258  -2.504
  259    HB2  HIS  38           2HB      HIS  38   1.538 -12.898  -1.249
  260    HB3  HIS  38           1HB      HIS  38   0.341 -11.801  -0.571
  261    HD1  HIS  38           1HD      HIS  38  -2.007 -12.965   0.090
  262    HD2  HIS  38           2HD      HIS  38   1.213 -15.510  -0.555
  263    HE1  HIS  38           1HE      HIS  38  -2.659 -15.154   1.142
  264    HE2  HIS  38           2HE      HIS  38  -0.653 -16.646   0.829
  265    H    HIS  39           H        HIS  39  -0.404 -10.031  -1.849
  266    HA   HIS  39           HA       HIS  39   1.577  -8.955  -3.751
  267    HB2  HIS  39           2HB      HIS  39  -1.164  -7.825  -3.163
  268    HB3  HIS  39           1HB      HIS  39   0.078  -6.995  -4.093
  269    HD1  HIS  39           1HD      HIS  39  -2.370  -9.812  -4.293
  270    HD2  HIS  39           2HD      HIS  39   0.444  -7.932  -6.704
  271    HE1  HIS  39           1HE      HIS  39  -2.802 -10.663  -6.620
  272    HE2  HIS  39           2HE      HIS  39  -1.027  -9.584  -8.045
  273    H    CYS  40           H        CYS  40   2.702  -7.098  -3.115
  274    HA   CYS  40           HA       CYS  40   2.816  -6.648  -0.234
  275    HB2  CYS  40           2HB      CYS  40   4.950  -6.985  -1.281
  276    HB3  CYS  40           1HB      CYS  40   4.563  -5.857  -2.575
  277    HG   CYS  40           HG       CYS  40   5.353  -3.988  -1.193
  278    H    ARG  41           H        ARG  41   2.199  -4.762   0.715
  279    HA   ARG  41           HA       ARG  41   0.370  -3.100  -0.687
  280    HB2  ARG  41           2HB      ARG  41   1.549  -2.823   2.078
  281    HB3  ARG  41           1HB      ARG  41   0.204  -1.873   1.461
  282    HG2  ARG  41           2HG      ARG  41  -1.085  -3.950   1.152
  283    HG3  ARG  41           1HG      ARG  41   0.253  -4.857   1.859
  284    HD2  ARG  41           2HD      ARG  41   0.016  -3.417   3.901
  285    HD3  ARG  41           1HD      ARG  41  -1.461  -2.767   3.190
  286    HE   ARG  41           HE       ARG  41  -1.110  -5.353   4.404
  287   HH11  ARG  41          1HH1      ARG  41  -3.000  -3.461   2.175
  288   HH12  ARG  41          2HH1      ARG  41  -4.408  -4.458   2.321
  289   HH21  ARG  41          1HH2      ARG  41  -2.958  -6.674   4.603
  290   HH22  ARG  41          2HH2      ARG  41  -4.385  -6.285   3.703
  291    H    ASN  42           H        ASN  42   3.683  -2.976  -0.622
  292    HA   ASN  42           HA       ASN  42   3.805  -0.060  -0.845
  293    HB2  ASN  42           2HB      ASN  42   5.935  -2.168  -0.471
  294    HB3  ASN  42           1HB      ASN  42   6.307  -0.479  -0.790
  295   HD21  ASN  42          1HD2      ASN  42   6.318  -2.580   1.573
  296   HD22  ASN  42          2HD2      ASN  42   5.853  -1.592   2.911
  297    H    CYS  43           H        CYS  43   5.536  -2.708  -2.490
  298    HA   CYS  43           HA       CYS  43   5.792  -1.140  -4.864
  299    HB2  CYS  43           2HB      CYS  43   6.915  -3.116  -5.801
  300    HB3  CYS  43           1HB      CYS  43   7.549  -2.697  -4.215
  301    HG   CYS  43           HG       CYS  43   5.997  -4.725  -3.310
  302    H    GLY  44           H        GLY  44   3.516  -3.487  -3.724
  303    HA2  GLY  44           2HA      GLY  44   1.480  -4.097  -4.619
  304    HA3  GLY  44           1HA      GLY  44   1.779  -2.972  -5.934
  305    H    TYR  45           H        TYR  45   4.156  -5.379  -5.285
  306    HA   TYR  45           HA       TYR  45   3.448  -6.710  -7.796
  307    HB2  TYR  45           2HB      TYR  45   6.003  -6.862  -6.185
  308    HB3  TYR  45           1HB      TYR  45   5.726  -7.626  -7.745
  309    HD1  TYR  45           2HD      TYR  45   4.357  -5.482  -9.227
  310    HD2  TYR  45           1HD      TYR  45   7.681  -5.291  -6.579
  311    HE1  TYR  45           2HE      TYR  45   5.140  -3.448 -10.366
  312    HE2  TYR  45           1HE      TYR  45   8.472  -3.256  -7.710
  313    HH   TYR  45           HH       TYR  45   6.543  -1.527  -9.945
  314    H    VAL  46           H        VAL  46   3.753  -9.059  -7.901
  315    HA   VAL  46           HA       VAL  46   2.307 -10.270  -5.743
  316    HB   VAL  46           HB       VAL  46   3.470 -11.534  -8.231
  317   HG11  VAL  46          1HG1      VAL  46   2.204 -13.487  -7.732
  318   HG12  VAL  46          2HG1      VAL  46   1.410 -12.700  -6.369
  319   HG13  VAL  46          3HG1      VAL  46   3.128 -13.087  -6.284
  320   HG21  VAL  46          1HG2      VAL  46   0.829 -11.630  -8.608
  321   HG22  VAL  46          2HG2      VAL  46   1.810 -10.255  -9.115
  322   HG23  VAL  46          3HG2      VAL  46   0.907 -10.186  -7.601
  323    H    LEU  47           H        LEU  47   3.076 -11.392  -4.075
  324    HA   LEU  47           HA       LEU  47   5.829 -12.425  -4.192
  325    HB2  LEU  47           2HB      LEU  47   4.569 -10.851  -1.943
  326    HB3  LEU  47           1HB      LEU  47   6.019 -11.809  -1.746
  327    HG   LEU  47           HG       LEU  47   6.431  -9.381  -2.005
  328   HD11  LEU  47          1HD1      LEU  47   8.361 -10.415  -2.496
  329   HD12  LEU  47          2HD1      LEU  47   8.014  -9.808  -4.115
  330   HD13  LEU  47          3HD1      LEU  47   7.620 -11.474  -3.694
  331   HD21  LEU  47          1HD2      LEU  47   5.805  -8.155  -3.781
  332   HD22  LEU  47          2HD2      LEU  47   4.546  -9.383  -3.901
  333   HD23  LEU  47          3HD2      LEU  47   5.986  -9.499  -4.911
  334    H    CYS  48           H        CYS  48   6.122 -14.400  -3.239
  335    HA   CYS  48           HA       CYS  48   3.752 -15.897  -2.556
  336    HB2  CYS  48           2HB      CYS  48   5.120 -17.817  -2.562
  337    HB3  CYS  48           1HB      CYS  48   5.853 -16.785  -3.786
  338    HG   CYS  48           HG       CYS  48   7.919 -16.673  -2.465
  339    H    GLY  49           H        GLY  49   4.030 -17.368  -0.428
  340    HA2  GLY  49           2HA      GLY  49   3.730 -15.691   1.750
  341    HA3  GLY  49           1HA      GLY  49   4.129 -17.398   1.870
  342    H    ASP  50           H        ASP  50   6.597 -17.625   0.944
  343    HA   ASP  50           HA       ASP  50   8.228 -16.794   3.030
  344    HB2  ASP  50           2HB      ASP  50   8.861 -17.747   0.245
  345    HB3  ASP  50           1HB      ASP  50  10.125 -17.378   1.413
  346    H    CYS  51           H        CYS  51   7.621 -15.210  -0.029
  347    HA   CYS  51           HA       CYS  51   9.638 -13.192   0.513
  348    HB2  CYS  51           2HB      CYS  51   7.973 -13.943  -1.824
  349    HB3  CYS  51           1HB      CYS  51   8.451 -12.252  -1.699
  350    HG   CYS  51           HG       CYS  51  10.710 -12.859  -2.426
  351    H    SER  52           H        SER  52   6.569 -13.720   1.541
  352    HA   SER  52           HA       SER  52   6.115 -10.855   1.969
  353    HB2  SER  52           2HB      SER  52   3.754 -11.085   1.573
  354    HB3  SER  52           1HB      SER  52   4.588 -11.775   0.180
  355    HG   SER  52           HG       SER  52   3.968 -13.743   0.757
  356    H    ARG  53           H        ARG  53   7.324 -13.021   3.563
  357    HA   ARG  53           HA       ARG  53   5.404 -13.601   5.639
  358    HB2  ARG  53           2HB      ARG  53   8.330 -14.223   5.305
  359    HB3  ARG  53           1HB      ARG  53   7.491 -14.532   6.819
  360    HG2  ARG  53           2HG      ARG  53   5.864 -15.926   5.467
  361    HG3  ARG  53           1HG      ARG  53   7.016 -15.784   4.138
  362    HD2  ARG  53           2HD      ARG  53   8.765 -16.745   5.564
  363    HD3  ARG  53           1HD      ARG  53   7.590 -16.927   6.864
  364    HE   ARG  53           HE       ARG  53   6.909 -18.232   4.368
  365   HH11  ARG  53          1HH1      ARG  53   8.385 -18.517   7.510
  366   HH12  ARG  53          2HH1      ARG  53   8.215 -20.239   7.577
  367   HH21  ARG  53          1HH2      ARG  53   6.681 -20.501   4.446
  368   HH22  ARG  53          2HH2      ARG  53   7.248 -21.368   5.834
  369    H    HIS  54           H        HIS  54   7.673 -11.075   4.959
  370    HA   HIS  54           HA       HIS  54   8.064 -10.322   7.690
  371    HB2  HIS  54           2HB      HIS  54   8.599  -8.863   5.099
  372    HB3  HIS  54           1HB      HIS  54   8.997  -8.205   6.678
  373    HD1  HIS  54           1HD      HIS  54  10.629  -9.945   8.134
  374    HD2  HIS  54           2HD      HIS  54  10.665 -10.206   3.986
  375    HE1  HIS  54           1HE      HIS  54  12.771 -11.125   7.552
  376    HE2  HIS  54           2HE      HIS  54  12.787 -11.250   5.036
  377    H    ARG  55           H        ARG  55   7.453  -8.166   8.493
  378    HA   ARG  55           HA       ARG  55   4.952  -7.140   7.390
  379    HB2  ARG  55           2HB      ARG  55   5.291  -7.884  10.303
  380    HB3  ARG  55           1HB      ARG  55   3.882  -7.106   9.588
  381    HG2  ARG  55           2HG      ARG  55   3.517  -9.085   8.186
  382    HG3  ARG  55           1HG      ARG  55   4.890  -9.872   8.965
  383    HD2  ARG  55           2HD      ARG  55   3.687  -9.512  11.158
  384    HD3  ARG  55           1HD      ARG  55   2.276  -9.046  10.208
  385    HE   ARG  55           HE       ARG  55   3.367 -11.584   9.441
  386   HH11  ARG  55          1HH1      ARG  55   1.244  -9.962  11.679
  387   HH12  ARG  55          2HH1      ARG  55   0.298 -11.376  12.002
  388   HH21  ARG  55          1HH2      ARG  55   2.127 -13.446   9.858
  389   HH22  ARG  55          2HH2      ARG  55   0.801 -13.357  10.967
  390    H    ALA  56           H        ALA  56   4.755  -4.982   7.541
  391    HA   ALA  56           HA       ALA  56   6.274  -3.426   9.448
  392    HB1  ALA  56           1HB      ALA  56   8.061  -3.780   7.929
  393    HB2  ALA  56           2HB      ALA  56   7.489  -2.130   7.677
  394    HB3  ALA  56           3HB      ALA  56   7.043  -3.403   6.540
  395    H    ALA  57           H        ALA  57   5.745  -1.175   9.451
  396    HA   ALA  57           HA       ALA  57   3.103  -0.653   8.357
  397    HB1  ALA  57           1HB      ALA  57   2.846   0.819  10.042
  398    HB2  ALA  57           2HB      ALA  57   4.460   1.498   9.828
  399    HB3  ALA  57           3HB      ALA  57   4.245   0.004  10.740
  400    H    ILE  58           H        ILE  58   2.666   1.244   7.053
  401    HA   ILE  58           HA       ILE  58   5.038   2.311   5.687
  402    HB   ILE  58           HB       ILE  58   2.481   1.853   4.205
  403   HG12  ILE  58          2HG1      ILE  58   4.674  -0.205   4.548
  404   HG13  ILE  58          1HG1      ILE  58   3.079  -0.298   5.286
  405   HG21  ILE  58          1HG2      ILE  58   5.360   1.790   3.308
  406   HG22  ILE  58          2HG2      ILE  58   4.337   3.227   3.272
  407   HG23  ILE  58          3HG2      ILE  58   3.923   1.823   2.289
  408   HD11  ILE  58          1HD1      ILE  58   2.894   0.083   2.433
  409   HD12  ILE  58          2HD1      ILE  58   2.207  -1.181   3.453
  410   HD13  ILE  58          3HD1      ILE  58   3.853  -1.339   2.842
  411    HA   PRO  59           HA       PRO  59   2.389   5.707   7.394
  412    HB2  PRO  59           2HB      PRO  59   4.514   7.310   8.013
  413    HB3  PRO  59           1HB      PRO  59   3.838   6.102   9.107
  414    HG2  PRO  59           2HG      PRO  59   6.226   5.899   7.312
  415    HG3  PRO  59           1HG      PRO  59   6.037   5.355   8.990
  416    HD2  PRO  59           2HD      PRO  59   5.873   3.639   6.929
  417    HD3  PRO  59           1HD      PRO  59   4.859   3.456   8.376
  418    H    MET  60           H        MET  60   4.482   5.395   4.699
  419    HA   MET  60           HA       MET  60   4.072   8.151   3.839
  420    HB2  MET  60           2HB      MET  60   5.448   5.816   2.490
  421    HB3  MET  60           1HB      MET  60   5.408   7.465   1.879
  422    HG2  MET  60           2HG      MET  60   6.718   6.516   4.416
  423    HG3  MET  60           1HG      MET  60   7.524   7.032   2.935
  424    HE1  MET  60           1HE      MET  60   7.591   9.582   2.087
  425    HE2  MET  60           2HE      MET  60   6.610  10.845   2.828
  426    HE3  MET  60           3HE      MET  60   5.832   9.479   2.030
  427    H    ARG  61           H        ARG  61   3.093   4.880   3.146
  428    HA   ARG  61           HA       ARG  61   1.375   5.642   0.937
  429    HB2  ARG  61           2HB      ARG  61   1.579   2.982   2.348
  430    HB3  ARG  61           1HB      ARG  61   0.868   3.288   0.770
  431    HG2  ARG  61           2HG      ARG  61   3.774   3.627   1.480
  432    HG3  ARG  61           1HG      ARG  61   3.083   2.273   0.587
  433    HD2  ARG  61           2HD      ARG  61   2.426   4.903  -0.517
  434    HD3  ARG  61           1HD      ARG  61   4.151   4.534  -0.513
  435    HE   ARG  61           HE       ARG  61   2.380   2.495  -1.596
  436   HH11  ARG  61          1HH1      ARG  61   4.551   5.154  -2.224
  437   HH12  ARG  61          2HH1      ARG  61   4.848   4.686  -3.865
  438   HH21  ARG  61          1HH2      ARG  61   2.770   1.880  -3.755
  439   HH22  ARG  61          2HH2      ARG  61   3.837   2.829  -4.734
  440    H    GLY  62           H        GLY  62   1.146   6.060   4.116
  441    HA2  GLY  62           2HA      GLY  62  -0.756   6.929   5.216
  442    HA3  GLY  62           1HA      GLY  62  -1.777   6.117   4.039
  443    H    ILE  63           H        ILE  63   0.607   4.020   5.129
  444    HA   ILE  63           HA       ILE  63  -1.332   2.674   6.852
  445    HB   ILE  63           HB       ILE  63   1.277   1.684   5.682
  446   HG12  ILE  63          2HG1      ILE  63  -1.551   1.014   4.852
  447   HG13  ILE  63          1HG1      ILE  63  -0.537   2.191   4.025
  448   HG21  ILE  63          1HG2      ILE  63  -0.879   0.262   7.223
  449   HG22  ILE  63          2HG2      ILE  63   0.822   0.446   7.655
  450   HG23  ILE  63          3HG2      ILE  63   0.365  -0.566   6.282
  451   HD11  ILE  63          1HD1      ILE  63   0.647  -0.473   4.388
  452   HD12  ILE  63          2HD1      ILE  63   0.680   0.612   2.996
  453   HD13  ILE  63          3HD1      ILE  63  -0.743  -0.384   3.305
  454    H    THR  64           H        THR  64  -1.165   3.507   8.877
  455    HA   THR  64           HA       THR  64   1.440   4.124  10.001
  456    HB   THR  64           HB       THR  64   0.171   4.962  11.935
  457    HG1  THR  64           1HG      THR  64  -2.096   4.097  10.469
  458   HG21  THR  64          1HG2      THR  64  -0.704   6.868  10.966
  459   HG22  THR  64          2HG2      THR  64  -1.247   6.009   9.524
  460   HG23  THR  64          3HG2      THR  64   0.474   6.317   9.773
  461    H    GLU  65           H        GLU  65  -0.718   1.483   9.957
  462    HA   GLU  65           HA       GLU  65   0.511   0.320  12.358
  463    HB2  GLU  65           2HB      GLU  65  -1.729  -0.970  10.841
  464    HB3  GLU  65           1HB      GLU  65  -1.329  -1.098  12.548
  465    HG2  GLU  65           2HG      GLU  65  -1.978   1.386  12.668
  466    HG3  GLU  65           1HG      GLU  65  -2.750   1.104  11.108
  467    HA   PRO  66           HA       PRO  66   3.191  -2.117   9.886
  468    HB2  PRO  66           2HB      PRO  66   2.665  -4.339  11.790
  469    HB3  PRO  66           1HB      PRO  66   4.201  -3.605  11.320
  470    HG2  PRO  66           2HG      PRO  66   3.099  -3.116  13.711
  471    HG3  PRO  66           1HG      PRO  66   3.986  -1.865  12.823
  472    HD2  PRO  66           2HD      PRO  66   1.043  -2.214  13.179
  473    HD3  PRO  66           1HD      PRO  66   2.000  -0.722  13.086
  474    H    GLU  67           H        GLU  67   2.707  -3.019   8.037
  475    HA   GLU  67           HA       GLU  67   0.571  -5.034   7.913
  476    HB2  GLU  67           2HB      GLU  67   1.188  -2.890   5.870
  477    HB3  GLU  67           1HB      GLU  67  -0.022  -4.147   5.686
  478    HG2  GLU  67           2HG      GLU  67  -0.036  -1.975   7.760
  479    HG3  GLU  67           1HG      GLU  67  -1.037  -2.040   6.313
  480    H    ARG  68           H        ARG  68   0.738  -6.392   5.894
  481    HA   ARG  68           HA       ARG  68   3.307  -7.581   5.785
  482    HB2  ARG  68           2HB      ARG  68   2.324  -9.118   4.187
  483    HB3  ARG  68           1HB      ARG  68   1.232  -8.849   5.540
  484    HG2  ARG  68           2HG      ARG  68   0.046  -7.159   4.091
  485    HG3  ARG  68           1HG      ARG  68   1.020  -7.756   2.746
  486    HD2  ARG  68           2HD      ARG  68   0.146 -10.041   3.213
  487    HD3  ARG  68           1HD      ARG  68  -0.921  -9.338   4.427
  488    HE   ARG  68           HE       ARG  68  -1.487  -7.929   2.175
  489   HH11  ARG  68          1HH1      ARG  68  -1.386 -11.323   2.953
  490   HH12  ARG  68          2HH1      ARG  68  -2.622 -11.753   1.817
  491   HH21  ARG  68          1HH2      ARG  68  -3.118  -8.488   0.673
  492   HH22  ARG  68          2HH2      ARG  68  -3.602 -10.144   0.519
  493    H    VAL  69           H        VAL  69   4.897  -7.474   4.361
  494    HA   VAL  69           HA       VAL  69   4.603  -6.070   1.809
  495    HB   VAL  69           HB       VAL  69   6.578  -4.666   2.212
  496   HG11  VAL  69          1HG1      VAL  69   4.576  -3.500   2.419
  497   HG12  VAL  69          2HG1      VAL  69   5.433  -3.117   3.914
  498   HG13  VAL  69          3HG1      VAL  69   4.142  -4.317   3.923
  499   HG21  VAL  69          1HG2      VAL  69   7.147  -4.301   4.697
  500   HG22  VAL  69          2HG2      VAL  69   7.801  -5.730   3.891
  501   HG23  VAL  69          3HG2      VAL  69   6.397  -5.876   4.951
  502    H    CYS  70           H        CYS  70   6.528  -6.349   0.444
  503    HA   CYS  70           HA       CYS  70   7.613  -8.987   0.713
  504    HB2  CYS  70           2HB      CYS  70   8.386  -8.780  -1.461
  505    HB3  CYS  70           1HB      CYS  70   7.015  -7.682  -1.475
  506    HG   CYS  70           HG       CYS  70   9.614  -6.865  -2.351
  507    H    ASP  71           H        ASP  71  10.207  -8.762  -0.201
  508    HA   ASP  71           HA       ASP  71  11.476  -7.919   2.250
  509    HB2  ASP  71           2HB      ASP  71  13.521  -8.925   1.312
  510    HB3  ASP  71           1HB      ASP  71  12.153 -10.029   1.250
  511    H    ALA  72           H        ALA  72  11.595  -6.793  -1.119
  512    HA   ALA  72           HA       ALA  72  13.694  -4.930  -0.651
  513    HB1  ALA  72           1HB      ALA  72  12.071  -5.736  -2.863
  514    HB2  ALA  72           2HB      ALA  72  13.617  -4.889  -2.868
  515    HB3  ALA  72           3HB      ALA  72  12.112  -3.975  -2.778
  516    H    CYS  73           H        CYS  73  10.173  -4.617  -0.688
  517    HA   CYS  73           HA       CYS  73  10.069  -1.840  -0.245
  518    HB2  CYS  73           2HB      CYS  73   8.052  -3.965   0.519
  519    HB3  CYS  73           1HB      CYS  73   7.733  -2.238   0.396
  520    HG   CYS  73           HG       CYS  73   8.120  -2.438  -2.191
  521    H    TYR  74           H        TYR  74  10.127  -4.614   1.944
  522    HA   TYR  74           HA       TYR  74   9.681  -3.254   4.346
  523    HB2  TYR  74           2HB      TYR  74   9.703  -5.710   4.174
  524    HB3  TYR  74           1HB      TYR  74  11.430  -5.675   3.834
  525    HD1  TYR  74           1HD      TYR  74   9.215  -4.126   6.428
  526    HD2  TYR  74           2HD      TYR  74  12.690  -6.435   5.596
  527    HE1  TYR  74           1HE      TYR  74   9.684  -4.279   8.838
  528    HE2  TYR  74           2HE      TYR  74  13.168  -6.593   8.004
  529    HH   TYR  74           HH       TYR  74  11.351  -6.347  10.261
  530    H    LEU  75           H        LEU  75  12.622  -3.811   2.500
  531    HA   LEU  75           HA       LEU  75  14.413  -2.633   4.362
  532    HB2  LEU  75           2HB      LEU  75  14.522  -3.532   1.540
  533    HB3  LEU  75           1HB      LEU  75  15.758  -2.418   2.082
  534    HG   LEU  75           HG       LEU  75  15.187  -4.936   3.611
  535   HD11  LEU  75          1HD1      LEU  75  17.470  -5.358   2.051
  536   HD12  LEU  75          2HD1      LEU  75  16.232  -4.770   0.941
  537   HD13  LEU  75          3HD1      LEU  75  15.920  -6.190   1.937
  538   HD21  LEU  75          1HD2      LEU  75  17.869  -3.699   3.306
  539   HD22  LEU  75          2HD2      LEU  75  17.152  -4.527   4.688
  540   HD23  LEU  75          3HD2      LEU  75  16.684  -2.869   4.314
  541    H    ALA  76           H        ALA  76  12.968  -1.346   1.372
  542    HA   ALA  76           HA       ALA  76  14.231   1.127   1.402
  543    HB1  ALA  76           1HB      ALA  76  11.492   0.423   0.359
  544    HB2  ALA  76           2HB      ALA  76  13.011   0.373  -0.537
  545    HB3  ALA  76           3HB      ALA  76  12.353   1.920  -0.002
  546    H    LEU  77           H        LEU  77  11.174   0.189   2.932
  547    HA   LEU  77           HA       LEU  77  10.539   2.764   3.920
  548    HB2  LEU  77           2HB      LEU  77   9.730   0.015   4.857
  549    HB3  LEU  77           1HB      LEU  77   9.062   1.497   5.505
  550    HG   LEU  77           HG       LEU  77   8.870   0.694   2.601
  551   HD11  LEU  77          1HD1      LEU  77   6.468   0.246   3.177
  552   HD12  LEU  77          2HD1      LEU  77   6.941   0.311   4.875
  553   HD13  LEU  77          3HD1      LEU  77   7.629  -0.919   3.814
  554   HD21  LEU  77          1HD2      LEU  77   7.103   2.422   2.540
  555   HD22  LEU  77          2HD2      LEU  77   8.694   3.083   2.923
  556   HD23  LEU  77          3HD2      LEU  77   7.503   2.854   4.203
  557    H    ARG  78           H        ARG  78  12.419   0.091   5.202
  558    HA   ARG  78           HA       ARG  78  12.764   1.070   7.823
  559    HB2  ARG  78           2HB      ARG  78  14.412  -0.822   6.151
  560    HB3  ARG  78           1HB      ARG  78  14.717  -0.505   7.854
  561    HG2  ARG  78           2HG      ARG  78  12.632  -1.443   8.487
  562    HG3  ARG  78           1HG      ARG  78  12.095  -1.537   6.811
  563    HD2  ARG  78           2HD      ARG  78  12.750  -3.715   7.241
  564    HD3  ARG  78           1HD      ARG  78  14.186  -3.032   6.488
  565    HE   ARG  78           HE       ARG  78  14.226  -2.798   9.338
  566   HH11  ARG  78          1HH1      ARG  78  14.842  -4.949   6.670
  567   HH12  ARG  78          2HH1      ARG  78  16.003  -5.898   7.536
  568   HH21  ARG  78          1HH2      ARG  78  15.757  -4.042  10.488
  569   HH22  ARG  78          2HH2      ARG  78  16.521  -5.386   9.706
  570    H    SER  79           H        SER  79  13.931   2.294   4.910
  571    HA   SER  79           HA       SER  79  16.567   3.024   5.537
  572    HB2  SER  79           2HB      SER  79  14.600   4.482   3.754
  573    HB3  SER  79           1HB      SER  79  16.356   4.650   3.727
  574    HG   SER  79           HG       SER  79  14.923   2.257   3.198
  575    H    SER  80           H        SER  80  13.486   4.460   6.363
  576    HA   SER  80           HA       SER  80  14.086   7.025   7.015
  577    HB2  SER  80           2HB      SER  80  11.860   5.899   7.317
  578    HB3  SER  80           1HB      SER  80  12.475   5.209   8.819
  579    HG   SER  80           HG       SER  80  11.275   7.419   8.690
  580    H    ASN  81           H        ASN  81  15.244   8.104   8.491
  581    HA   ASN  81           HA       ASN  81  17.013   6.560  10.207
  582    HB2  ASN  81           2HB      ASN  81  17.805   8.456   8.722
  583    HB3  ASN  81           1HB      ASN  81  16.984   9.554   9.827
  584   HD21  ASN  81          1HD2      ASN  81  19.527  10.035   9.564
  585   HD22  ASN  81          2HD2      ASN  81  20.452   9.471  10.909
  586    H    MET  82           H        MET  82  16.890   6.461  12.372
  587    HA   MET  82           HA       MET  82  14.528   7.463  13.662
  588    HB2  MET  82           2HB      MET  82  16.916   5.954  14.737
  589    HB3  MET  82           1HB      MET  82  15.488   6.355  15.683
  590    HG2  MET  82           2HG      MET  82  14.118   5.060  14.088
  591    HG3  MET  82           1HG      MET  82  15.596   4.587  13.253
  592    HE1  MET  82           1HE      MET  82  17.603   4.243  15.720
  593    HE2  MET  82           2HE      MET  82  17.513   3.109  14.372
  594    HE3  MET  82           3HE      MET  82  17.441   2.514  16.031
  595    H    ALA  83           H        ALA  83  14.310   9.173  14.975
  596    HA   ALA  83           HA       ALA  83  16.215  11.244  14.955
  597    HB1  ALA  83           1HB      ALA  83  13.614  11.231  15.400
  598    HB2  ALA  83           2HB      ALA  83  14.653  12.504  16.044
  599    HB3  ALA  83           3HB      ALA  83  14.140  11.172  17.082
  600    H    GLY  84           H        GLY  84  17.561  12.066  16.561
  601    HA2  GLY  84           2HA      GLY  84  17.982  11.678  19.106
  602    HA3  GLY  84           1HA      GLY  84  18.403  10.070  18.538
  Start of MODEL    6
    1    H1   GLY   1           1HT      GLY   1  -3.651  20.390 -14.953
    2    H2   GLY   1           2HT      GLY   1  -2.551  19.179 -15.376
    3    H3   GLY   1           3HT      GLY   1  -2.671  19.688 -13.767
    4    HA2  GLY   1           1HA      GLY   1  -4.180  17.712 -15.157
    5    HA3  GLY   1           2HA      GLY   1  -4.066  18.013 -13.430
    6    HA   PRO   2           HA       PRO   2  -7.994  19.998 -15.595
    7    HB2  PRO   2           2HB      PRO   2  -9.571  17.828 -16.148
    8    HB3  PRO   2           1HB      PRO   2  -8.546  18.630 -17.344
    9    HG2  PRO   2           2HG      PRO   2  -8.022  16.147 -15.759
   10    HG3  PRO   2           1HG      PRO   2  -7.692  16.470 -17.472
   11    HD2  PRO   2           2HD      PRO   2  -5.755  16.571 -15.608
   12    HD3  PRO   2           1HD      PRO   2  -5.768  17.673 -17.002
   13    H    LEU   3           H        LEU   3  -9.734  20.451 -14.297
   14    HA   LEU   3           HA       LEU   3  -9.737  19.282 -11.668
   15    HB2  LEU   3           2HB      LEU   3 -11.495  21.375 -12.939
   16    HB3  LEU   3           1HB      LEU   3 -11.614  20.882 -11.261
   17    HG   LEU   3           HG       LEU   3  -9.172  21.590 -11.036
   18   HD11  LEU   3          1HD1      LEU   3  -8.681  23.475 -12.740
   19   HD12  LEU   3          2HD1      LEU   3  -9.823  22.613 -13.770
   20   HD13  LEU   3          3HD1      LEU   3  -8.367  21.802 -13.196
   21   HD21  LEU   3          1HD2      LEU   3 -11.603  23.027 -10.902
   22   HD22  LEU   3          2HD2      LEU   3 -10.384  24.114 -11.565
   23   HD23  LEU   3          3HD2      LEU   3 -10.108  23.321 -10.013
   24    H    GLY   4           H        GLY   4 -11.120  18.340 -14.539
   25    HA2  GLY   4           2HA      GLY   4 -13.684  17.509 -13.518
   26    HA3  GLY   4           1HA      GLY   4 -13.016  17.127 -15.097
   27    H    SER   5           H        SER   5 -14.263  15.106 -14.200
   28    HA   SER   5           HA       SER   5 -12.967  13.446 -12.314
   29    HB2  SER   5           2HB      SER   5 -14.487  11.727 -13.016
   30    HB3  SER   5           1HB      SER   5 -15.367  13.254 -13.044
   31    HG   SER   5           HG       SER   5 -14.475  13.159 -15.400
   32    H    MET   6           H        MET   6 -12.324  14.131 -15.614
   33    HA   MET   6           HA       MET   6 -10.950  11.678 -16.190
   34    HB2  MET   6           2HB      MET   6 -11.030  14.336 -17.622
   35    HB3  MET   6           1HB      MET   6 -10.167  12.928 -18.223
   36    HG2  MET   6           2HG      MET   6 -12.313  11.680 -18.215
   37    HG3  MET   6           1HG      MET   6 -13.130  13.177 -17.773
   38    HE1  MET   6           1HE      MET   6 -14.611  12.460 -19.639
   39    HE2  MET   6           2HE      MET   6 -13.766  11.419 -20.786
   40    HE3  MET   6           3HE      MET   6 -14.387  12.987 -21.305
   41    H    GLY   7           H        GLY   7  -8.819  11.219 -16.067
   42    HA2  GLY   7           2HA      GLY   7  -6.508  11.770 -15.945
   43    HA3  GLY   7           1HA      GLY   7  -6.947  13.353 -15.322
   44    H    GLU   8           H        GLU   8  -8.931  11.666 -13.568
   45    HA   GLU   8           HA       GLU   8  -6.992  11.305 -11.407
   46    HB2  GLU   8           2HB      GLU   8 -10.004  11.535 -11.348
   47    HB3  GLU   8           1HB      GLU   8  -8.996  11.280  -9.930
   48    HG2  GLU   8           2HG      GLU   8  -9.333  13.554  -9.888
   49    HG3  GLU   8           1HG      GLU   8  -7.775  13.421 -10.701
   50    H    LYS   9           H        LYS   9  -7.771   9.382 -13.700
   51    HA   LYS   9           HA       LYS   9  -8.937   7.123 -12.387
   52    HB2  LYS   9           2HB      LYS   9  -7.337   7.305 -14.952
   53    HB3  LYS   9           1HB      LYS   9  -8.200   5.872 -14.406
   54    HG2  LYS   9           2HG      LYS   9 -10.302   7.207 -14.457
   55    HG3  LYS   9           1HG      LYS   9  -9.385   8.523 -15.191
   56    HD2  LYS   9           2HD      LYS   9  -9.655   5.742 -16.333
   57    HD3  LYS   9           1HD      LYS   9 -10.574   7.154 -16.861
   58    HE2  LYS   9           2HE      LYS   9  -7.742   7.706 -16.823
   59    HE3  LYS   9           1HE      LYS   9  -8.098   6.292 -17.814
   60    HZ1  LYS   9           1HZ      LYS   9  -8.226   8.757 -18.739
   61    HZ2  LYS   9           2HZ      LYS   9  -9.815   8.615 -18.179
   62    HZ3  LYS   9           3HZ      LYS   9  -9.222   7.518 -19.320
   63    H    GLN  10           H        GLN  10  -6.055   8.646 -12.056
   64    HA   GLN  10           HA       GLN  10  -4.155   6.594 -11.873
   65    HB2  GLN  10           2HB      GLN  10  -3.441   8.878 -11.972
   66    HB3  GLN  10           1HB      GLN  10  -4.391   9.302 -10.554
   67    HG2  GLN  10           2HG      GLN  10  -2.913   7.803  -9.218
   68    HG3  GLN  10           1HG      GLN  10  -1.907   7.611 -10.653
   69   HE21  GLN  10          1HE2      GLN  10  -0.238   8.915 -10.770
   70   HE22  GLN  10          2HE2      GLN  10  -0.097  10.470 -10.032
   71    H    SER  11           H        SER  11  -3.538   5.277 -10.194
   72    HA   SER  11           HA       SER  11  -5.032   5.475  -7.676
   73    HB2  SER  11           2HB      SER  11  -5.507   3.111  -7.655
   74    HB3  SER  11           1HB      SER  11  -6.095   3.775  -9.179
   75    HG   SER  11           HG       SER  11  -4.793   1.745  -9.218
   76    H    LYS  12           H        LYS  12  -4.052   4.271  -5.906
   77    HA   LYS  12           HA       LYS  12  -1.127   4.277  -6.139
   78    HB2  LYS  12           2HB      LYS  12  -2.925   4.409  -3.714
   79    HB3  LYS  12           1HB      LYS  12  -1.167   4.389  -3.652
   80    HG2  LYS  12           2HG      LYS  12  -1.129   6.481  -4.952
   81    HG3  LYS  12           1HG      LYS  12  -2.893   6.506  -4.915
   82    HD2  LYS  12           2HD      LYS  12  -2.771   6.508  -2.425
   83    HD3  LYS  12           1HD      LYS  12  -1.020   6.676  -2.556
   84    HE2  LYS  12           2HE      LYS  12  -2.559   8.783  -2.272
   85    HE3  LYS  12           1HE      LYS  12  -1.148   8.830  -3.330
   86    HZ1  LYS  12           1HZ      LYS  12  -2.487   8.612  -5.224
   87    HZ2  LYS  12           2HZ      LYS  12  -3.299   9.737  -4.258
   88    HZ3  LYS  12           3HZ      LYS  12  -3.846   8.138  -4.332
   89    H    GLY  13           H        GLY  13   0.124   2.537  -5.435
   90    HA2  GLY  13           2HA      GLY  13   0.630   0.347  -4.939
   91    HA3  GLY  13           1HA      GLY  13  -0.948   0.231  -4.175
   92    H    TYR  14           H        TYR  14   0.778  -0.022  -7.232
   93    HA   TYR  14           HA       TYR  14  -1.498  -1.026  -8.659
   94    HB2  TYR  14           2HB      TYR  14   0.272   0.203  -9.814
   95    HB3  TYR  14           1HB      TYR  14   1.429  -1.057  -9.402
   96    HD1  TYR  14           2HD      TYR  14  -1.628  -0.342 -11.369
   97    HD2  TYR  14           1HD      TYR  14   1.626  -3.006 -10.728
   98    HE1  TYR  14           2HE      TYR  14  -2.203  -1.534 -13.440
   99    HE2  TYR  14           1HE      TYR  14   1.060  -4.204 -12.798
  100    HH   TYR  14           HH       TYR  14  -1.092  -2.971 -15.104
  101    H    TRP  15           H        TRP  15  -2.252  -3.011  -8.574
  102    HA   TRP  15           HA       TRP  15  -0.608  -5.159  -7.445
  103    HB2  TRP  15           2HB      TRP  15  -2.984  -6.350  -7.776
  104    HB3  TRP  15           1HB      TRP  15  -2.603  -5.369  -6.364
  105    HD1  TRP  15           HD       TRP  15  -3.849  -3.040  -6.113
  106    HE1  TRP  15           1HE      TRP  15  -5.900  -2.024  -7.290
  107    HE3  TRP  15           3HE      TRP  15  -4.196  -6.262 -10.069
  108    HZ2  TRP  15           2HZ      TRP  15  -7.461  -2.525  -9.589
  109    HZ3  TRP  15           3HZ      TRP  15  -5.996  -5.924 -11.712
  110    HH2  TRP  15           HH       TRP  15  -7.594  -4.094 -11.475
  111    H    GLN  16           H        GLN  16   0.425  -6.496  -8.735
  112    HA   GLN  16           HA       GLN  16  -0.220  -6.641 -11.568
  113    HB2  GLN  16           2HB      GLN  16   2.139  -6.491 -10.777
  114    HB3  GLN  16           1HB      GLN  16   1.949  -8.049  -9.987
  115    HG2  GLN  16           2HG      GLN  16   1.563  -9.107 -12.150
  116    HG3  GLN  16           1HG      GLN  16   1.739  -7.544 -12.948
  117   HE21  GLN  16          1HE2      GLN  16   3.317  -9.518 -13.781
  118   HE22  GLN  16          2HE2      GLN  16   4.945  -9.284 -13.254
  119    H    GLU  17           H        GLU  17  -1.345  -8.139 -12.514
  120    HA   GLU  17           HA       GLU  17  -2.925  -9.944 -11.164
  121    HB2  GLU  17           2HB      GLU  17  -2.052  -9.959 -14.049
  122    HB3  GLU  17           1HB      GLU  17  -3.308 -11.006 -13.402
  123    HG2  GLU  17           2HG      GLU  17  -3.361  -7.998 -13.401
  124    HG3  GLU  17           1HG      GLU  17  -4.240  -9.049 -14.510
  125    H    ASP  18           H        ASP  18  -3.017 -12.206 -11.135
  126    HA   ASP  18           HA       ASP  18  -0.730 -13.563 -10.246
  127    HB2  ASP  18           2HB      ASP  18  -3.345 -14.584 -11.346
  128    HB3  ASP  18           1HB      ASP  18  -2.129 -15.612 -10.593
  129    H    GLU  19           H        GLU  19  -2.289 -13.520 -13.428
  130    HA   GLU  19           HA       GLU  19  -0.620 -15.469 -14.599
  131    HB2  GLU  19           2HB      GLU  19  -2.318 -13.292 -15.812
  132    HB3  GLU  19           1HB      GLU  19  -1.461 -14.489 -16.774
  133    HG2  GLU  19           2HG      GLU  19  -3.593 -15.047 -14.724
  134    HG3  GLU  19           1HG      GLU  19  -3.781 -15.109 -16.477
  135    H    ASP  20           H        ASP  20  -0.443 -11.936 -14.564
  136    HA   ASP  20           HA       ASP  20   1.776 -11.769 -16.307
  137    HB2  ASP  20           2HB      ASP  20   0.738  -9.832 -14.228
  138    HB3  ASP  20           1HB      ASP  20   2.016  -9.450 -15.378
  139    H    ALA  21           H        ALA  21   1.431 -12.233 -12.885
  140    HA   ALA  21           HA       ALA  21   4.366 -12.287 -12.588
  141    HB1  ALA  21           1HB      ALA  21   2.517 -12.201 -10.243
  142    HB2  ALA  21           2HB      ALA  21   2.849 -10.728 -11.154
  143    HB3  ALA  21           3HB      ALA  21   4.172 -11.611 -10.390
  144    HA   PRO  22           HA       PRO  22   2.952 -16.700 -12.261
  145    HB2  PRO  22           2HB      PRO  22   4.842 -17.730 -13.893
  146    HB3  PRO  22           1HB      PRO  22   3.337 -17.040 -14.510
  147    HG2  PRO  22           2HG      PRO  22   6.055 -15.803 -14.338
  148    HG3  PRO  22           1HG      PRO  22   4.892 -15.758 -15.677
  149    HD2  PRO  22           2HD      PRO  22   5.201 -13.706 -13.921
  150    HD3  PRO  22           1HD      PRO  22   3.652 -14.075 -14.707
  151    H    ALA  23           H        ALA  23   5.828 -14.935 -11.717
  152    HA   ALA  23           HA       ALA  23   6.731 -16.952  -9.783
  153    HB1  ALA  23           1HB      ALA  23   9.002 -15.554 -10.826
  154    HB2  ALA  23           2HB      ALA  23   8.112 -16.297 -12.156
  155    HB3  ALA  23           3HB      ALA  23   8.678 -17.287 -10.810
  156    H    CYS  24           H        CYS  24   7.969 -16.047  -8.007
  157    HA   CYS  24           HA       CYS  24   6.858 -13.694  -7.011
  158    HB2  CYS  24           2HB      CYS  24   7.967 -15.661  -5.773
  159    HB3  CYS  24           1HB      CYS  24   9.480 -14.801  -6.049
  160    HG   CYS  24           HG       CYS  24   8.748 -12.975  -4.468
  161    H    ASN  25           H        ASN  25   7.275 -11.663  -7.334
  162    HA   ASN  25           HA       ASN  25   9.211 -10.701  -9.116
  163    HB2  ASN  25           2HB      ASN  25   7.469  -9.372  -7.052
  164    HB3  ASN  25           1HB      ASN  25   8.590  -8.448  -8.047
  165   HD21  ASN  25          1HD2      ASN  25   5.620 -10.180  -7.933
  166   HD22  ASN  25          2HD2      ASN  25   5.091  -9.806  -9.535
  167    H    GLY  26           H        GLY  26   9.307 -11.294  -5.683
  168    HA2  GLY  26           2HA      GLY  26  11.654  -9.662  -5.270
  169    HA3  GLY  26           1HA      GLY  26  10.850 -10.656  -4.075
  170    H    CYS  27           H        CYS  27  11.056 -13.181  -4.897
  171    HA   CYS  27           HA       CYS  27  13.967 -13.534  -5.059
  172    HB2  CYS  27           2HB      CYS  27  13.692 -15.618  -3.907
  173    HB3  CYS  27           1HB      CYS  27  12.781 -14.388  -3.038
  174    HG   CYS  27           HG       CYS  27  11.502 -16.769  -3.482
  175    H    GLY  28           H        GLY  28  11.412 -13.709  -7.140
  176    HA2  GLY  28           2HA      GLY  28  11.277 -14.587  -9.254
  177    HA3  GLY  28           1HA      GLY  28  12.928 -15.147  -9.059
  178    H    CYS  29           H        CYS  29  10.961 -16.329  -6.568
  179    HA   CYS  29           HA       CYS  29  11.184 -18.995  -7.579
  180    HB2  CYS  29           2HB      CYS  29  10.206 -19.729  -5.555
  181    HB3  CYS  29           1HB      CYS  29  11.179 -18.329  -5.120
  182    HG   CYS  29           HG       CYS  29   8.103 -18.036  -5.454
  183    H    VAL  30           H        VAL  30   9.583 -20.371  -8.336
  184    HA   VAL  30           HA       VAL  30   7.452 -19.032  -9.735
  185    HB   VAL  30           HB       VAL  30   7.552 -21.990  -9.678
  186   HG11  VAL  30          1HG1      VAL  30   6.958 -19.826 -11.647
  187   HG12  VAL  30          2HG1      VAL  30   5.950 -21.179 -11.132
  188   HG13  VAL  30          3HG1      VAL  30   7.321 -21.458 -12.207
  189   HG21  VAL  30          1HG2      VAL  30   9.763 -20.249 -10.674
  190   HG22  VAL  30          2HG2      VAL  30   9.361 -21.731 -11.542
  191   HG23  VAL  30          3HG2      VAL  30   9.845 -21.803  -9.847
  192    H    PHE  31           H        PHE  31   5.299 -19.179  -9.411
  193    HA   PHE  31           HA       PHE  31   4.419 -20.079  -6.801
  194    HB2  PHE  31           2HB      PHE  31   2.929 -18.720  -9.052
  195    HB3  PHE  31           1HB      PHE  31   2.222 -19.122  -7.492
  196    HD1  PHE  31           1HD      PHE  31   3.400 -18.141  -5.412
  197    HD2  PHE  31           2HD      PHE  31   3.931 -16.671  -9.368
  198    HE1  PHE  31           1HE      PHE  31   4.157 -15.984  -4.506
  199    HE2  PHE  31           2HE      PHE  31   4.693 -14.513  -8.469
  200    HZ   PHE  31           HZ       PHE  31   4.806 -14.168  -6.035
  201    H    THR  32           H        THR  32   3.226 -21.790  -6.367
  202    HA   THR  32           HA       THR  32   2.298 -23.480  -8.593
  203    HB   THR  32           HB       THR  32   3.004 -25.454  -7.406
  204    HG1  THR  32           1HG      THR  32   3.871 -23.705  -5.348
  205   HG21  THR  32          1HG2      THR  32   5.480 -24.101  -6.824
  206   HG22  THR  32          2HG2      THR  32   4.821 -23.601  -8.381
  207   HG23  THR  32          3HG2      THR  32   5.117 -25.310  -8.056
  208    H    THR  33           H        THR  33   0.656 -25.117  -7.849
  209    HA   THR  33           HA       THR  33  -1.637 -23.966  -6.896
  210    HB   THR  33           HB       THR  33  -0.822 -26.847  -6.465
  211    HG1  THR  33           1HG      THR  33  -1.550 -27.215  -8.492
  212   HG21  THR  33          1HG2      THR  33  -3.543 -26.576  -7.163
  213   HG22  THR  33          2HG2      THR  33  -3.224 -25.482  -5.817
  214   HG23  THR  33          3HG2      THR  33  -2.848 -27.198  -5.666
  215    H    THR  34           H        THR  34   0.883 -25.574  -4.982
  216    HA   THR  34           HA       THR  34  -0.526 -25.315  -2.531
  217    HB   THR  34           HB       THR  34   2.443 -25.710  -2.975
  218    HG1  THR  34           1HG      THR  34   1.831 -27.579  -3.661
  219   HG21  THR  34          1HG2      THR  34   1.348 -27.004  -0.655
  220   HG22  THR  34          2HG2      THR  34   1.105 -25.259  -0.582
  221   HG23  THR  34          3HG2      THR  34   2.728 -25.914  -0.795
  222    H    VAL  35           H        VAL  35   1.792 -23.246  -4.226
  223    HA   VAL  35           HA       VAL  35   1.889 -21.442  -1.941
  224    HB   VAL  35           HB       VAL  35   3.223 -21.221  -4.637
  225   HG11  VAL  35          1HG1      VAL  35   3.520 -19.543  -2.150
  226   HG12  VAL  35          2HG1      VAL  35   2.844 -19.029  -3.696
  227   HG13  VAL  35          3HG1      VAL  35   4.555 -19.436  -3.574
  228   HG21  VAL  35          1HG2      VAL  35   3.913 -22.636  -2.205
  229   HG22  VAL  35          2HG2      VAL  35   5.155 -21.472  -2.670
  230   HG23  VAL  35          3HG2      VAL  35   4.648 -22.720  -3.808
  231    H    ARG  36           H        ARG  36   0.358 -20.075  -1.672
  232    HA   ARG  36           HA       ARG  36  -1.394 -19.200  -3.781
  233    HB2  ARG  36           2HB      ARG  36  -1.194 -18.337  -0.890
  234    HB3  ARG  36           1HB      ARG  36  -2.494 -17.905  -1.993
  235    HG2  ARG  36           2HG      ARG  36  -1.802 -20.733  -1.244
  236    HG3  ARG  36           1HG      ARG  36  -3.028 -19.764  -0.423
  237    HD2  ARG  36           2HD      ARG  36  -4.203 -19.489  -2.576
  238    HD3  ARG  36           1HD      ARG  36  -3.005 -20.535  -3.339
  239    HE   ARG  36           HE       ARG  36  -4.076 -22.347  -2.445
  240   HH11  ARG  36          1HH1      ARG  36  -5.136 -19.472  -0.788
  241   HH12  ARG  36          2HH1      ARG  36  -6.376 -20.287   0.108
  242   HH21  ARG  36          1HH2      ARG  36  -5.712 -23.432  -1.278
  243   HH22  ARG  36          2HH2      ARG  36  -6.702 -22.540  -0.172
  244    H    ARG  37           H        ARG  37  -1.678 -17.072  -4.501
  245    HA   ARG  37           HA       ARG  37   0.789 -15.519  -4.479
  246    HB2  ARG  37           2HB      ARG  37  -1.688 -15.456  -6.168
  247    HB3  ARG  37           1HB      ARG  37  -0.601 -14.077  -6.138
  248    HG2  ARG  37           2HG      ARG  37   1.228 -15.464  -6.908
  249    HG3  ARG  37           1HG      ARG  37   0.185 -16.886  -6.886
  250    HD2  ARG  37           2HD      ARG  37  -1.291 -15.738  -8.539
  251    HD3  ARG  37           1HD      ARG  37  -0.100 -14.440  -8.628
  252    HE   ARG  37           HE       ARG  37   1.253 -15.799  -9.896
  253   HH11  ARG  37          1HH1      ARG  37  -1.340 -17.674  -8.517
  254   HH12  ARG  37          2HH1      ARG  37  -0.981 -19.092  -9.445
  255   HH21  ARG  37          1HH2      ARG  37   1.736 -17.658 -11.121
  256   HH22  ARG  37          2HH2      ARG  37   0.770 -19.083 -10.929
  257    H    HIS  38           H        HIS  38   0.973 -13.472  -3.731
  258    HA   HIS  38           HA       HIS  38  -1.349 -12.235  -2.462
  259    HB2  HIS  38           2HB      HIS  38   1.301 -12.636  -1.051
  260    HB3  HIS  38           1HB      HIS  38  -0.080 -11.741  -0.420
  261    HD1  HIS  38           1HD      HIS  38  -2.303 -13.255  -0.025
  262    HD2  HIS  38           2HD      HIS  38   1.297 -15.289  -0.445
  263    HE1  HIS  38           1HE      HIS  38  -2.724 -15.563   0.884
  264    HE2  HIS  38           2HE      HIS  38  -0.519 -16.761   0.662
  265    H    HIS  39           H        HIS  39  -0.783  -9.942  -1.757
  266    HA   HIS  39           HA       HIS  39   1.130  -8.800  -3.687
  267    HB2  HIS  39           2HB      HIS  39  -1.553  -7.678  -2.856
  268    HB3  HIS  39           1HB      HIS  39  -0.410  -6.889  -3.939
  269    HD1  HIS  39           1HD      HIS  39  -2.896  -9.676  -3.795
  270    HD2  HIS  39           2HD      HIS  39  -0.316  -7.929  -6.543
  271    HE1  HIS  39           1HE      HIS  39  -3.562 -10.612  -6.030
  272    HE2  HIS  39           2HE      HIS  39  -1.905  -9.637  -7.657
  273    H    CYS  40           H        CYS  40   2.362  -7.050  -3.037
  274    HA   CYS  40           HA       CYS  40   2.552  -6.627  -0.155
  275    HB2  CYS  40           2HB      CYS  40   4.646  -7.081  -1.247
  276    HB3  CYS  40           1HB      CYS  40   4.308  -5.906  -2.513
  277    HG   CYS  40           HG       CYS  40   5.174  -4.096  -1.088
  278    H    ARG  41           H        ARG  41   2.065  -4.693   0.800
  279    HA   ARG  41           HA       ARG  41   0.294  -2.970  -0.595
  280    HB2  ARG  41           2HB      ARG  41   1.518  -2.742   2.155
  281    HB3  ARG  41           1HB      ARG  41   0.250  -1.688   1.543
  282    HG2  ARG  41           2HG      ARG  41   0.016  -4.674   1.828
  283    HG3  ARG  41           1HG      ARG  41  -0.601  -3.492   2.985
  284    HD2  ARG  41           2HD      ARG  41  -1.413  -3.714   0.088
  285    HD3  ARG  41           1HD      ARG  41  -2.354  -4.293   1.462
  286    HE   ARG  41           HE       ARG  41  -2.258  -1.642   0.476
  287   HH11  ARG  41          1HH1      ARG  41  -2.425  -3.457   3.447
  288   HH12  ARG  41          2HH1      ARG  41  -3.239  -2.200   4.317
  289   HH21  ARG  41          1HH2      ARG  41  -3.340   0.012   1.613
  290   HH22  ARG  41          2HH2      ARG  41  -3.769  -0.233   3.273
  291    H    ASN  42           H        ASN  42   3.594  -3.034  -0.611
  292    HA   ASN  42           HA       ASN  42   3.880  -0.133  -0.867
  293    HB2  ASN  42           2HB      ASN  42   5.885  -2.351  -0.469
  294    HB3  ASN  42           1HB      ASN  42   6.359  -0.701  -0.847
  295   HD21  ASN  42          1HD2      ASN  42   6.326  -2.690   1.590
  296   HD22  ASN  42          2HD2      ASN  42   5.902  -1.643   2.895
  297    H    CYS  43           H        CYS  43   5.499  -2.861  -2.505
  298    HA   CYS  43           HA       CYS  43   5.721  -1.311  -4.898
  299    HB2  CYS  43           2HB      CYS  43   6.855  -3.257  -5.837
  300    HB3  CYS  43           1HB      CYS  43   7.479  -2.885  -4.235
  301    HG   CYS  43           HG       CYS  43   5.924  -4.935  -3.397
  302    H    GLY  44           H        GLY  44   3.456  -3.637  -3.695
  303    HA2  GLY  44           2HA      GLY  44   1.403  -4.240  -4.546
  304    HA3  GLY  44           1HA      GLY  44   1.680  -3.129  -5.878
  305    H    TYR  45           H        TYR  45   4.037  -5.565  -5.225
  306    HA   TYR  45           HA       TYR  45   3.294  -6.922  -7.716
  307    HB2  TYR  45           2HB      TYR  45   5.851  -7.089  -6.107
  308    HB3  TYR  45           1HB      TYR  45   5.555  -7.897  -7.640
  309    HD1  TYR  45           2HD      TYR  45   4.296  -5.800  -9.240
  310    HD2  TYR  45           1HD      TYR  45   7.535  -5.552  -6.497
  311    HE1  TYR  45           2HE      TYR  45   5.157  -3.837 -10.445
  312    HE2  TYR  45           1HE      TYR  45   8.407  -3.587  -7.692
  313    HH   TYR  45           HH       TYR  45   7.657  -2.765 -10.673
  314    H    VAL  46           H        VAL  46   3.606  -9.282  -7.766
  315    HA   VAL  46           HA       VAL  46   2.174 -10.434  -5.547
  316    HB   VAL  46           HB       VAL  46   3.246 -11.830  -8.005
  317   HG11  VAL  46          1HG1      VAL  46   2.841 -13.328  -6.090
  318   HG12  VAL  46          2HG1      VAL  46   1.723 -13.628  -7.423
  319   HG13  VAL  46          3HG1      VAL  46   1.182 -12.738  -6.000
  320   HG21  VAL  46          1HG2      VAL  46   0.521 -10.685  -7.398
  321   HG22  VAL  46          2HG2      VAL  46   0.886 -11.724  -8.775
  322   HG23  VAL  46          3HG2      VAL  46   1.649 -10.140  -8.639
  323    H    LEU  47           H        LEU  47   2.975 -11.555  -3.891
  324    HA   LEU  47           HA       LEU  47   5.736 -12.571  -4.069
  325    HB2  LEU  47           2HB      LEU  47   4.492 -11.119  -1.725
  326    HB3  LEU  47           1HB      LEU  47   6.003 -11.995  -1.652
  327    HG   LEU  47           HG       LEU  47   6.205  -9.513  -1.797
  328   HD11  LEU  47          1HD1      LEU  47   8.169 -10.605  -2.287
  329   HD12  LEU  47          2HD1      LEU  47   7.908  -9.639  -3.740
  330   HD13  LEU  47          3HD1      LEU  47   7.514 -11.356  -3.737
  331   HD21  LEU  47          1HD2      LEU  47   4.336  -9.624  -3.738
  332   HD22  LEU  47          2HD2      LEU  47   5.811  -9.528  -4.702
  333   HD23  LEU  47          3HD2      LEU  47   5.455  -8.282  -3.506
  334    H    CYS  48           H        CYS  48   6.035 -14.582  -3.201
  335    HA   CYS  48           HA       CYS  48   3.708 -16.106  -2.502
  336    HB2  CYS  48           2HB      CYS  48   5.184 -17.990  -2.342
  337    HB3  CYS  48           1HB      CYS  48   5.739 -17.026  -3.706
  338    HG   CYS  48           HG       CYS  48   7.870 -16.554  -2.543
  339    H    GLY  49           H        GLY  49   3.955 -17.536  -0.353
  340    HA2  GLY  49           2HA      GLY  49   3.585 -15.845   1.793
  341    HA3  GLY  49           1HA      GLY  49   4.022 -17.541   1.944
  342    H    ASP  50           H        ASP  50   6.522 -17.724   1.076
  343    HA   ASP  50           HA       ASP  50   8.083 -16.818   3.187
  344    HB2  ASP  50           2HB      ASP  50   8.804 -17.826   0.449
  345    HB3  ASP  50           1HB      ASP  50  10.034 -17.374   1.624
  346    H    CYS  51           H        CYS  51   7.516 -15.333   0.083
  347    HA   CYS  51           HA       CYS  51   9.494 -13.272   0.573
  348    HB2  CYS  51           2HB      CYS  51   7.812 -14.098  -1.724
  349    HB3  CYS  51           1HB      CYS  51   8.266 -12.398  -1.643
  350    HG   CYS  51           HG       CYS  51  10.411 -13.065  -2.590
  351    H    SER  52           H        SER  52   6.433 -13.828   1.612
  352    HA   SER  52           HA       SER  52   5.945 -10.970   2.026
  353    HB2  SER  52           2HB      SER  52   3.587 -11.236   1.629
  354    HB3  SER  52           1HB      SER  52   4.430 -11.928   0.243
  355    HG   SER  52           HG       SER  52   2.853 -13.368   0.883
  356    H    ARG  53           H        ARG  53   7.182 -13.156   3.608
  357    HA   ARG  53           HA       ARG  53   5.285 -13.732   5.715
  358    HB2  ARG  53           2HB      ARG  53   8.225 -14.330   5.401
  359    HB3  ARG  53           1HB      ARG  53   7.343 -14.695   6.874
  360    HG2  ARG  53           2HG      ARG  53   5.806 -16.112   5.515
  361    HG3  ARG  53           1HG      ARG  53   6.870 -15.838   4.137
  362    HD2  ARG  53           2HD      ARG  53   7.511 -17.917   5.069
  363    HD3  ARG  53           1HD      ARG  53   8.748 -16.753   5.538
  364    HE   ARG  53           HE       ARG  53   8.100 -16.976   7.741
  365   HH11  ARG  53          1HH1      ARG  53   5.807 -18.571   5.665
  366   HH12  ARG  53          2HH1      ARG  53   5.013 -19.398   6.963
  367   HH21  ARG  53          1HH2      ARG  53   7.064 -18.064   9.456
  368   HH22  ARG  53          2HH2      ARG  53   5.724 -19.109   9.116
  369    H    HIS  54           H        HIS  54   7.463 -11.183   4.951
  370    HA   HIS  54           HA       HIS  54   7.962 -10.418   7.671
  371    HB2  HIS  54           2HB      HIS  54   8.440  -9.002   5.048
  372    HB3  HIS  54           1HB      HIS  54   8.893  -8.330   6.606
  373    HD1  HIS  54           1HD      HIS  54  10.936  -9.348   7.786
  374    HD2  HIS  54           2HD      HIS  54  10.050 -11.102   4.128
  375    HE1  HIS  54           1HE      HIS  54  12.945 -10.743   7.208
  376    HE2  HIS  54           2HE      HIS  54  12.436 -11.691   4.929
  377    H    ARG  55           H        ARG  55   7.439  -8.179   8.395
  378    HA   ARG  55           HA       ARG  55   4.909  -7.151   7.374
  379    HB2  ARG  55           2HB      ARG  55   5.337  -7.839  10.287
  380    HB3  ARG  55           1HB      ARG  55   3.915  -7.065   9.604
  381    HG2  ARG  55           2HG      ARG  55   3.505  -9.094   8.251
  382    HG3  ARG  55           1HG      ARG  55   4.865  -9.871   9.066
  383    HD2  ARG  55           2HD      ARG  55   3.729  -9.489  11.229
  384    HD3  ARG  55           1HD      ARG  55   2.350  -8.822  10.358
  385    HE   ARG  55           HE       ARG  55   2.932 -11.408   9.395
  386   HH11  ARG  55          1HH1      ARG  55   1.626  -9.754  12.166
  387   HH12  ARG  55          2HH1      ARG  55   0.616 -11.076  12.649
  388   HH21  ARG  55          1HH2      ARG  55   1.598 -13.167  10.024
  389   HH22  ARG  55          2HH2      ARG  55   0.604 -13.015  11.434
  390    H    ALA  56           H        ALA  56   4.793  -4.997   7.455
  391    HA   ALA  56           HA       ALA  56   6.374  -3.436   9.311
  392    HB1  ALA  56           1HB      ALA  56   7.290  -3.880   6.562
  393    HB2  ALA  56           2HB      ALA  56   8.184  -3.372   7.994
  394    HB3  ALA  56           3HB      ALA  56   7.257  -2.191   7.071
  395    H    ALA  57           H        ALA  57   5.856  -1.175   9.317
  396    HA   ALA  57           HA       ALA  57   3.207  -0.645   8.239
  397    HB1  ALA  57           1HB      ALA  57   3.523   1.515   9.588
  398    HB2  ALA  57           2HB      ALA  57   4.960   0.737  10.252
  399    HB3  ALA  57           3HB      ALA  57   3.373   0.007  10.490
  400    H    ILE  58           H        ILE  58   2.793   1.303   6.993
  401    HA   ILE  58           HA       ILE  58   5.161   2.366   5.621
  402    HB   ILE  58           HB       ILE  58   2.600   1.881   4.149
  403   HG12  ILE  58          2HG1      ILE  58   4.841  -0.135   4.426
  404   HG13  ILE  58          1HG1      ILE  58   3.289  -0.257   5.247
  405   HG21  ILE  58          1HG2      ILE  58   4.311   3.289   3.137
  406   HG22  ILE  58          2HG2      ILE  58   4.109   1.791   2.231
  407   HG23  ILE  58          3HG2      ILE  58   5.492   1.993   3.305
  408   HD11  ILE  58          1HD1      ILE  58   2.278  -1.061   3.438
  409   HD12  ILE  58          2HD1      ILE  58   3.908  -1.364   2.837
  410   HD13  ILE  58          3HD1      ILE  58   3.053   0.105   2.369
  411    HA   PRO  59           HA       PRO  59   2.534   5.769   7.295
  412    HB2  PRO  59           2HB      PRO  59   4.636   7.392   7.907
  413    HB3  PRO  59           1HB      PRO  59   3.986   6.167   8.997
  414    HG2  PRO  59           2HG      PRO  59   6.388   6.037   7.224
  415    HG3  PRO  59           1HG      PRO  59   6.176   5.439   8.880
  416    HD2  PRO  59           2HD      PRO  59   6.064   3.812   6.711
  417    HD3  PRO  59           1HD      PRO  59   5.126   3.509   8.186
  418    H    MET  60           H        MET  60   4.586   5.451   4.577
  419    HA   MET  60           HA       MET  60   4.141   8.198   3.696
  420    HB2  MET  60           2HB      MET  60   5.536   5.852   2.389
  421    HB3  MET  60           1HB      MET  60   5.386   7.445   1.664
  422    HG2  MET  60           2HG      MET  60   6.618   8.370   3.623
  423    HG3  MET  60           1HG      MET  60   6.892   6.713   4.160
  424    HE1  MET  60           1HE      MET  60   8.504   9.488   1.524
  425    HE2  MET  60           2HE      MET  60   6.876   8.919   1.155
  426    HE3  MET  60           3HE      MET  60   8.236   8.408   0.155
  427    H    ARG  61           H        ARG  61   3.161   4.919   3.095
  428    HA   ARG  61           HA       ARG  61   1.376   5.616   0.919
  429    HB2  ARG  61           2HB      ARG  61   1.635   2.997   2.395
  430    HB3  ARG  61           1HB      ARG  61   0.885   3.259   0.827
  431    HG2  ARG  61           2HG      ARG  61   3.806   3.681   1.422
  432    HG3  ARG  61           1HG      ARG  61   3.124   2.231   0.686
  433    HD2  ARG  61           2HD      ARG  61   2.798   4.989  -0.471
  434    HD3  ARG  61           1HD      ARG  61   4.129   3.915  -0.895
  435    HE   ARG  61           HE       ARG  61   1.471   2.812  -1.231
  436   HH11  ARG  61          1HH1      ARG  61   4.167   4.462  -2.703
  437   HH12  ARG  61          2HH1      ARG  61   3.729   4.005  -4.316
  438   HH21  ARG  61          1HH2      ARG  61   0.893   2.208  -3.351
  439   HH22  ARG  61          2HH2      ARG  61   1.872   2.726  -4.684
  440    H    GLY  62           H        GLY  62   1.210   6.149   4.088
  441    HA2  GLY  62           2HA      GLY  62  -0.681   6.996   5.219
  442    HA3  GLY  62           1HA      GLY  62  -1.713   6.142   4.082
  443    H    ILE  63           H        ILE  63   0.669   4.061   5.079
  444    HA   ILE  63           HA       ILE  63  -1.170   2.721   6.895
  445    HB   ILE  63           HB       ILE  63   1.415   1.794   5.629
  446   HG12  ILE  63          2HG1      ILE  63  -1.414   0.991   4.947
  447   HG13  ILE  63          1HG1      ILE  63  -0.535   2.255   4.092
  448   HG21  ILE  63          1HG2      ILE  63   0.536  -0.490   6.267
  449   HG22  ILE  63          2HG2      ILE  63  -0.591   0.347   7.334
  450   HG23  ILE  63          3HG2      ILE  63   1.147   0.509   7.585
  451   HD11  ILE  63          1HD1      ILE  63   0.412  -0.588   4.320
  452   HD12  ILE  63          2HD1      ILE  63   1.074   0.690   3.298
  453   HD13  ILE  63          3HD1      ILE  63  -0.531   0.040   2.967
  454    H    THR  64           H        THR  64  -0.965   3.719   8.864
  455    HA   THR  64           HA       THR  64   1.651   4.340   9.942
  456    HB   THR  64           HB       THR  64   0.409   5.224  11.876
  457    HG1  THR  64           1HG      THR  64  -1.365   3.609  11.515
  458   HG21  THR  64          1HG2      THR  64   0.649   6.498   9.633
  459   HG22  THR  64          2HG2      THR  64  -0.445   7.108  10.877
  460   HG23  THR  64          3HG2      THR  64  -1.086   6.216   9.497
  461    H    GLU  65           H        GLU  65  -0.518   1.708  10.017
  462    HA   GLU  65           HA       GLU  65   0.806   0.602  12.398
  463    HB2  GLU  65           2HB      GLU  65  -1.621  -0.517  10.988
  464    HB3  GLU  65           1HB      GLU  65  -1.011  -0.954  12.577
  465    HG2  GLU  65           2HG      GLU  65  -1.492   1.813  12.642
  466    HG3  GLU  65           1HG      GLU  65  -2.884   1.073  11.852
  467    HA   PRO  66           HA       PRO  66   3.309  -2.003   9.942
  468    HB2  PRO  66           2HB      PRO  66   3.212  -4.335  11.465
  469    HB3  PRO  66           1HB      PRO  66   4.308  -2.981  11.749
  470    HG2  PRO  66           2HG      PRO  66   1.723  -3.640  13.090
  471    HG3  PRO  66           1HG      PRO  66   3.208  -2.963  13.782
  472    HD2  PRO  66           2HD      PRO  66   1.057  -1.428  13.271
  473    HD3  PRO  66           1HD      PRO  66   2.712  -0.815  13.070
  474    H    GLU  67           H        GLU  67   2.766  -2.899   8.099
  475    HA   GLU  67           HA       GLU  67   0.563  -4.845   8.034
  476    HB2  GLU  67           2HB      GLU  67   1.201  -2.714   5.984
  477    HB3  GLU  67           1HB      GLU  67  -0.038  -3.947   5.805
  478    HG2  GLU  67           2HG      GLU  67   0.014  -1.848   7.957
  479    HG3  GLU  67           1HG      GLU  67  -0.953  -1.773   6.485
  480    H    ARG  68           H        ARG  68   0.638  -6.206   5.997
  481    HA   ARG  68           HA       ARG  68   3.179  -7.468   5.856
  482    HB2  ARG  68           2HB      ARG  68   2.108  -9.007   4.296
  483    HB3  ARG  68           1HB      ARG  68   1.108  -8.728   5.716
  484    HG2  ARG  68           2HG      ARG  68  -0.170  -7.045   4.363
  485    HG3  ARG  68           1HG      ARG  68   0.725  -7.613   2.952
  486    HD2  ARG  68           2HD      ARG  68  -0.103  -9.906   3.423
  487    HD3  ARG  68           1HD      ARG  68  -1.085  -9.243   4.728
  488    HE   ARG  68           HE       ARG  68  -1.855  -7.777   2.599
  489   HH11  ARG  68          1HH1      ARG  68  -1.544 -11.198   3.136
  490   HH12  ARG  68          2HH1      ARG  68  -2.819 -11.618   2.041
  491   HH21  ARG  68          1HH2      ARG  68  -3.535  -8.314   1.157
  492   HH22  ARG  68          2HH2      ARG  68  -3.952  -9.976   0.916
  493    H    VAL  69           H        VAL  69   4.698  -7.475   4.376
  494    HA   VAL  69           HA       VAL  69   4.370  -6.133   1.804
  495    HB   VAL  69           HB       VAL  69   6.447  -4.866   2.059
  496   HG11  VAL  69          1HG1      VAL  69   4.172  -4.307   3.924
  497   HG12  VAL  69          2HG1      VAL  69   4.540  -3.569   2.364
  498   HG13  VAL  69          3HG1      VAL  69   5.535  -3.199   3.774
  499   HG21  VAL  69          1HG2      VAL  69   6.368  -6.018   4.822
  500   HG22  VAL  69          2HG2      VAL  69   7.182  -4.486   4.502
  501   HG23  VAL  69          3HG2      VAL  69   7.709  -5.954   3.677
  502    H    CYS  70           H        CYS  70   6.676  -6.300   0.687
  503    HA   CYS  70           HA       CYS  70   7.410  -9.117   0.854
  504    HB2  CYS  70           2HB      CYS  70   8.171  -8.975  -1.333
  505    HB3  CYS  70           1HB      CYS  70   6.852  -7.814  -1.343
  506    HG   CYS  70           HG       CYS  70   8.787  -6.629  -2.478
  507    H    ASP  71           H        ASP  71  10.047  -8.873  -0.193
  508    HA   ASP  71           HA       ASP  71  11.382  -8.124   2.269
  509    HB2  ASP  71           2HB      ASP  71  12.411  -9.395  -0.271
  510    HB3  ASP  71           1HB      ASP  71  13.425  -9.043   1.126
  511    H    ALA  72           H        ALA  72  11.504  -7.020  -1.118
  512    HA   ALA  72           HA       ALA  72  13.563  -5.132  -0.661
  513    HB1  ALA  72           1HB      ALA  72  13.231  -4.406  -2.834
  514    HB2  ALA  72           2HB      ALA  72  11.501  -4.751  -2.794
  515    HB3  ALA  72           3HB      ALA  72  12.664  -6.074  -2.894
  516    H    CYS  73           H        CYS  73  10.038  -4.802  -0.686
  517    HA   CYS  73           HA       CYS  73   9.974  -2.022  -0.251
  518    HB2  CYS  73           2HB      CYS  73   7.894  -4.057   0.583
  519    HB3  CYS  73           1HB      CYS  73   7.643  -2.334   0.309
  520    HG   CYS  73           HG       CYS  73   8.558  -3.276  -2.265
  521    H    TYR  74           H        TYR  74   9.997  -4.787   1.953
  522    HA   TYR  74           HA       TYR  74   9.568  -3.414   4.346
  523    HB2  TYR  74           2HB      TYR  74   9.626  -5.878   4.197
  524    HB3  TYR  74           1HB      TYR  74  11.354  -5.813   3.861
  525    HD1  TYR  74           2HD      TYR  74   8.777  -5.286   6.445
  526    HD2  TYR  74           1HD      TYR  74  12.944  -5.489   5.617
  527    HE1  TYR  74           2HE      TYR  74   9.247  -5.371   8.857
  528    HE2  TYR  74           1HE      TYR  74  13.428  -5.570   8.025
  529    HH   TYR  74           HH       TYR  74  12.265  -6.221  10.112
  530    H    LEU  75           H        LEU  75  12.472  -3.964   2.460
  531    HA   LEU  75           HA       LEU  75  14.274  -2.723   4.278
  532    HB2  LEU  75           2HB      LEU  75  14.379  -3.675   1.461
  533    HB3  LEU  75           1HB      LEU  75  15.637  -2.590   2.017
  534    HG   LEU  75           HG       LEU  75  14.972  -5.135   3.476
  535   HD11  LEU  75          1HD1      LEU  75  15.676  -6.226   1.651
  536   HD12  LEU  75          2HD1      LEU  75  17.279  -5.674   2.138
  537   HD13  LEU  75          3HD1      LEU  75  16.365  -4.772   0.928
  538   HD21  LEU  75          1HD2      LEU  75  16.852  -4.749   4.699
  539   HD22  LEU  75          2HD2      LEU  75  16.425  -3.080   4.326
  540   HD23  LEU  75          3HD2      LEU  75  17.667  -3.903   3.383
  541    H    ALA  76           H        ALA  76  12.935  -1.606   1.158
  542    HA   ALA  76           HA       ALA  76  14.114   0.860   1.050
  543    HB1  ALA  76           1HB      ALA  76  12.917   0.756  -0.835
  544    HB2  ALA  76           2HB      ALA  76  11.559   1.367   0.111
  545    HB3  ALA  76           3HB      ALA  76  11.763  -0.369  -0.121
  546    H    LEU  77           H        LEU  77  11.067   0.040   2.685
  547    HA   LEU  77           HA       LEU  77  10.651   2.644   3.732
  548    HB2  LEU  77           2HB      LEU  77   9.690  -0.056   4.699
  549    HB3  LEU  77           1HB      LEU  77   9.138   1.475   5.351
  550    HG   LEU  77           HG       LEU  77   8.815   0.722   2.450
  551   HD11  LEU  77          1HD1      LEU  77   7.584  -0.920   3.595
  552   HD12  LEU  77          2HD1      LEU  77   6.412   0.317   3.138
  553   HD13  LEU  77          3HD1      LEU  77   7.006   0.235   4.796
  554   HD21  LEU  77          1HD2      LEU  77   7.132   2.488   2.460
  555   HD22  LEU  77          2HD2      LEU  77   8.702   3.117   2.959
  556   HD23  LEU  77          3HD2      LEU  77   7.456   2.800   4.167
  557    H    ARG  78           H        ARG  78  12.188  -0.286   4.882
  558    HA   ARG  78           HA       ARG  78  12.881   0.391   7.462
  559    HB2  ARG  78           2HB      ARG  78  13.176  -1.838   6.373
  560    HB3  ARG  78           1HB      ARG  78  14.552  -1.193   5.498
  561    HG2  ARG  78           2HG      ARG  78  15.551  -0.677   7.774
  562    HG3  ARG  78           1HG      ARG  78  14.278  -1.707   8.429
  563    HD2  ARG  78           2HD      ARG  78  15.046  -3.535   6.946
  564    HD3  ARG  78           1HD      ARG  78  16.371  -2.502   6.408
  565    HE   ARG  78           HE       ARG  78  16.257  -4.001   8.818
  566   HH11  ARG  78          1HH1      ARG  78  17.435  -1.029   7.440
  567   HH12  ARG  78          2HH1      ARG  78  18.730  -0.860   8.576
  568   HH21  ARG  78          1HH2      ARG  78  17.959  -3.790  10.328
  569   HH22  ARG  78          2HH2      ARG  78  19.029  -2.431  10.221
  570    H    SER  79           H        SER  79  14.100   1.696   4.502
  571    HA   SER  79           HA       SER  79  16.682   2.440   5.294
  572    HB2  SER  79           2HB      SER  79  16.616   4.026   3.479
  573    HB3  SER  79           1HB      SER  79  15.769   2.568   2.961
  574    HG   SER  79           HG       SER  79  13.802   3.647   3.474
  575    H    SER  80           H        SER  80  13.544   3.831   5.966
  576    HA   SER  80           HA       SER  80  14.382   6.360   6.872
  577    HB2  SER  80           2HB      SER  80  12.014   5.760   6.382
  578    HB3  SER  80           1HB      SER  80  11.997   4.758   7.833
  579    HG   SER  80           HG       SER  80  11.185   6.724   8.421
  580    H    ASN  81           H        ASN  81  14.220   3.218   8.419
  581    HA   ASN  81           HA       ASN  81  15.007   4.357  10.987
  582    HB2  ASN  81           2HB      ASN  81  13.237   2.556  10.802
  583    HB3  ASN  81           1HB      ASN  81  14.529   1.444  10.354
  584   HD21  ASN  81          1HD2      ASN  81  13.929   0.250  12.240
  585   HD22  ASN  81          2HD2      ASN  81  14.504   0.742  13.794
  586    H    MET  82           H        MET  82  17.060   4.531  11.544
  587    HA   MET  82           HA       MET  82  19.111   3.184   9.990
  588    HB2  MET  82           2HB      MET  82  19.290   5.202  12.234
  589    HB3  MET  82           1HB      MET  82  20.671   4.571  11.347
  590    HG2  MET  82           2HG      MET  82  19.678   5.491   9.264
  591    HG3  MET  82           1HG      MET  82  18.419   6.234  10.248
  592    HE1  MET  82           1HE      MET  82  19.011   7.360  12.373
  593    HE2  MET  82           2HE      MET  82  19.790   8.924  12.134
  594    HE3  MET  82           3HE      MET  82  20.681   7.601  12.886
  595    H    ALA  83           H        ALA  83  20.325   1.507  10.666
  596    HA   ALA  83           HA       ALA  83  19.492  -0.072  12.841
  597    HB1  ALA  83           1HB      ALA  83  21.275  -0.332  10.671
  598    HB2  ALA  83           2HB      ALA  83  20.705  -1.589  11.769
  599    HB3  ALA  83           3HB      ALA  83  22.187  -0.704  12.132
  600    H    GLY  84           H        GLY  84  20.350  -0.402  14.882
  601    HA2  GLY  84           2HA      GLY  84  22.236   1.686  15.785
  602    HA3  GLY  84           1HA      GLY  84  20.964   1.008  16.788
  Start of MODEL    7
    1    H1   GLY   1           1HT      GLY   1 -15.621   2.633 -18.513
    2    H2   GLY   1           2HT      GLY   1 -13.964   2.937 -18.362
    3    H3   GLY   1           3HT      GLY   1 -15.058   4.226 -18.423
    4    HA2  GLY   1           1HA      GLY   1 -16.035   2.882 -16.338
    5    HA3  GLY   1           2HA      GLY   1 -14.323   2.513 -16.200
    6    HA   PRO   2           HA       PRO   2 -15.092   6.473 -13.907
    7    HB2  PRO   2           2HB      PRO   2 -13.084   5.939 -12.095
    8    HB3  PRO   2           1HB      PRO   2 -14.779   5.493 -11.870
    9    HG2  PRO   2           2HG      PRO   2 -12.491   3.825 -12.829
   10    HG3  PRO   2           1HG      PRO   2 -13.812   3.392 -11.727
   11    HD2  PRO   2           2HD      PRO   2 -13.812   2.619 -14.301
   12    HD3  PRO   2           1HD      PRO   2 -15.315   3.058 -13.461
   13    H    LEU   3           H        LEU   3 -13.856   8.338 -13.933
   14    HA   LEU   3           HA       LEU   3 -11.681   8.347 -15.830
   15    HB2  LEU   3           2HB      LEU   3 -12.801  10.640 -14.219
   16    HB3  LEU   3           1HB      LEU   3 -11.772  10.761 -15.635
   17    HG   LEU   3           HG       LEU   3 -14.630   9.797 -15.550
   18   HD11  LEU   3          1HD1      LEU   3 -13.874  12.321 -15.535
   19   HD12  LEU   3          2HD1      LEU   3 -15.229  11.773 -16.522
   20   HD13  LEU   3          3HD1      LEU   3 -13.645  12.021 -17.258
   21   HD21  LEU   3          1HD2      LEU   3 -12.881  10.031 -17.990
   22   HD22  LEU   3          2HD2      LEU   3 -14.503   9.345 -17.872
   23   HD23  LEU   3          3HD2      LEU   3 -13.137   8.512 -17.128
   24    H    GLY   4           H        GLY   4  -9.545   8.759 -15.433
   25    HA2  GLY   4           2HA      GLY   4  -8.637   8.277 -12.729
   26    HA3  GLY   4           1HA      GLY   4  -7.627   8.426 -14.159
   27    H    SER   5           H        SER   5  -6.461   9.615 -12.260
   28    HA   SER   5           HA       SER   5  -7.365  12.230 -11.601
   29    HB2  SER   5           2HB      SER   5  -5.290  12.503 -10.476
   30    HB3  SER   5           1HB      SER   5  -5.702  10.798 -10.292
   31    HG   SER   5           HG       SER   5  -4.362  10.781 -12.446
   32    H    MET   6           H        MET   6  -6.309  14.241 -12.207
   33    HA   MET   6           HA       MET   6  -6.159  14.594 -14.980
   34    HB2  MET   6           2HB      MET   6  -5.182  16.353 -12.729
   35    HB3  MET   6           1HB      MET   6  -5.237  16.857 -14.411
   36    HG2  MET   6           2HG      MET   6  -7.582  16.069 -12.701
   37    HG3  MET   6           1HG      MET   6  -7.154  17.698 -13.218
   38    HE1  MET   6           1HE      MET   6  -6.418  17.976 -15.616
   39    HE2  MET   6           2HE      MET   6  -7.953  18.342 -16.402
   40    HE3  MET   6           3HE      MET   6  -6.959  17.007 -16.987
   41    H    GLY   7           H        GLY   7  -3.625  14.123 -12.569
   42    HA2  GLY   7           2HA      GLY   7  -1.546  14.473 -14.585
   43    HA3  GLY   7           1HA      GLY   7  -1.295  14.192 -12.868
   44    H    GLU   8           H        GLU   8   0.320  12.807 -14.398
   45    HA   GLU   8           HA       GLU   8  -0.870  10.213 -14.989
   46    HB2  GLU   8           2HB      GLU   8   0.772  11.292 -16.554
   47    HB3  GLU   8           1HB      GLU   8   2.012  11.064 -15.328
   48    HG2  GLU   8           2HG      GLU   8   1.624   8.633 -15.428
   49    HG3  GLU   8           1HG      GLU   8   0.443   8.897 -16.708
   50    H    LYS   9           H        LYS   9  -0.316  11.439 -12.215
   51    HA   LYS   9           HA       LYS   9   1.622   9.721 -11.009
   52    HB2  LYS   9           2HB      LYS   9  -0.628  11.335  -9.779
   53    HB3  LYS   9           1HB      LYS   9   0.632  10.517  -8.865
   54    HG2  LYS   9           2HG      LYS   9   2.316  11.922 -10.021
   55    HG3  LYS   9           1HG      LYS   9   0.994  12.793 -10.800
   56    HD2  LYS   9           2HD      LYS   9   0.131  13.411  -8.569
   57    HD3  LYS   9           1HD      LYS   9   1.517  12.603  -7.833
   58    HE2  LYS   9           2HE      LYS   9   2.063  14.901  -7.908
   59    HE3  LYS   9           1HE      LYS   9   2.979  14.137  -9.207
   60    HZ1  LYS   9           1HZ      LYS   9   1.700  16.318  -9.662
   61    HZ2  LYS   9           2HZ      LYS   9   0.343  15.316  -9.772
   62    HZ3  LYS   9           3HZ      LYS   9   1.654  15.081 -10.814
   63    H    GLN  10           H        GLN  10  -1.275   9.087 -12.374
   64    HA   GLN  10           HA       GLN  10  -2.543   7.354 -10.546
   65    HB2  GLN  10           2HB      GLN  10  -3.814   8.246 -12.345
   66    HB3  GLN  10           1HB      GLN  10  -2.656   7.678 -13.543
   67    HG2  GLN  10           2HG      GLN  10  -3.285   5.341 -12.896
   68    HG3  GLN  10           1HG      GLN  10  -4.575   6.031 -11.911
   69   HE21  GLN  10          1HE2      GLN  10  -6.421   5.672 -12.929
   70   HE22  GLN  10          2HE2      GLN  10  -6.728   5.965 -14.603
   71    H    SER  11           H        SER  11  -1.573   5.615  -9.743
   72    HA   SER  11           HA       SER  11  -1.120   3.264 -10.947
   73    HB2  SER  11           2HB      SER  11   0.471   4.038 -12.510
   74    HB3  SER  11           1HB      SER  11   1.296   5.032 -11.309
   75    HG   SER  11           HG       SER  11   2.452   3.116 -11.778
   76    H    LYS  12           H        LYS  12  -1.776   4.307  -8.430
   77    HA   LYS  12           HA       LYS  12   0.434   3.575  -6.665
   78    HB2  LYS  12           2HB      LYS  12  -0.931   5.646  -6.263
   79    HB3  LYS  12           1HB      LYS  12  -2.307   4.606  -5.919
   80    HG2  LYS  12           2HG      LYS  12  -1.028   3.586  -4.070
   81    HG3  LYS  12           1HG      LYS  12   0.281   4.726  -4.387
   82    HD2  LYS  12           2HD      LYS  12  -1.384   6.576  -4.036
   83    HD3  LYS  12           1HD      LYS  12  -2.526   5.350  -3.485
   84    HE2  LYS  12           2HE      LYS  12  -1.669   5.652  -1.451
   85    HE3  LYS  12           1HE      LYS  12  -0.238   4.805  -2.038
   86    HZ1  LYS  12           1HZ      LYS  12  -0.012   7.139  -0.971
   87    HZ2  LYS  12           2HZ      LYS  12  -0.495   7.698  -2.493
   88    HZ3  LYS  12           3HZ      LYS  12   0.903   6.758  -2.342
   89    H    GLY  13           H        GLY  13   0.604   1.582  -5.871
   90    HA2  GLY  13           2HA      GLY  13   0.039  -0.506  -5.100
   91    HA3  GLY  13           1HA      GLY  13  -1.583   0.115  -4.838
   92    H    TYR  14           H        TYR  14   0.369  -0.410  -7.780
   93    HA   TYR  14           HA       TYR  14  -1.917  -1.418  -9.184
   94    HB2  TYR  14           2HB      TYR  14  -0.139  -0.151 -10.326
   95    HB3  TYR  14           1HB      TYR  14   0.993  -1.460 -10.000
   96    HD1  TYR  14           2HD      TYR  14  -2.077  -0.553 -11.855
   97    HD2  TYR  14           1HD      TYR  14   1.062  -3.386 -11.385
   98    HE1  TYR  14           2HE      TYR  14  -2.764  -1.652 -13.946
   99    HE2  TYR  14           1HE      TYR  14   0.384  -4.492 -13.473
  100    HH   TYR  14           HH       TYR  14  -1.395  -4.688 -14.958
  101    H    TRP  15           H        TRP  15  -2.652  -3.418  -9.107
  102    HA   TRP  15           HA       TRP  15  -1.065  -5.532  -7.897
  103    HB2  TRP  15           2HB      TRP  15  -3.104  -6.848  -7.942
  104    HB3  TRP  15           1HB      TRP  15  -3.449  -5.250  -7.290
  105    HD1  TRP  15           HD       TRP  15  -4.282  -7.544 -10.187
  106    HE1  TRP  15           1HE      TRP  15  -6.165  -6.490 -11.589
  107    HE3  TRP  15           3HE      TRP  15  -4.421  -2.914  -8.018
  108    HZ2  TRP  15           2HZ      TRP  15  -7.527  -4.025 -11.757
  109    HZ3  TRP  15           3HZ      TRP  15  -6.045  -1.267  -8.861
  110    HH2  TRP  15           HH       TRP  15  -7.564  -1.812 -10.690
  111    H    GLN  16           H        GLN  16   0.211  -6.804  -9.062
  112    HA   GLN  16           HA       GLN  16  -0.121  -7.006 -11.945
  113    HB2  GLN  16           2HB      GLN  16   2.137  -6.738 -10.882
  114    HB3  GLN  16           1HB      GLN  16   1.930  -8.320 -10.146
  115    HG2  GLN  16           2HG      GLN  16   1.846  -9.357 -12.338
  116    HG3  GLN  16           1HG      GLN  16   1.989  -7.776 -13.107
  117   HE21  GLN  16          1HE2      GLN  16   3.785  -9.610 -13.817
  118   HE22  GLN  16          2HE2      GLN  16   5.332  -9.279 -13.122
  119    H    GLU  17           H        GLU  17  -1.142  -8.545 -12.941
  120    HA   GLU  17           HA       GLU  17  -2.697 -10.422 -11.639
  121    HB2  GLU  17           2HB      GLU  17  -1.788 -10.346 -14.510
  122    HB3  GLU  17           1HB      GLU  17  -3.026 -11.435 -13.900
  123    HG2  GLU  17           2HG      GLU  17  -3.143  -8.430 -13.856
  124    HG3  GLU  17           1HG      GLU  17  -4.000  -9.487 -14.975
  125    H    ASP  18           H        ASP  18  -2.694 -12.685 -11.654
  126    HA   ASP  18           HA       ASP  18  -0.355 -13.968 -10.767
  127    HB2  ASP  18           2HB      ASP  18  -1.662 -16.041 -11.050
  128    HB3  ASP  18           1HB      ASP  18  -2.557 -14.787 -10.197
  129    H    GLU  19           H        GLU  19  -1.932 -13.981 -13.937
  130    HA   GLU  19           HA       GLU  19  -0.208 -15.863 -15.131
  131    HB2  GLU  19           2HB      GLU  19  -1.953 -13.718 -16.333
  132    HB3  GLU  19           1HB      GLU  19  -1.085 -14.909 -17.289
  133    HG2  GLU  19           2HG      GLU  19  -2.315 -16.700 -16.150
  134    HG3  GLU  19           1HG      GLU  19  -3.200 -15.487 -15.226
  135    H    ASP  20           H        ASP  20  -0.113 -12.324 -15.028
  136    HA   ASP  20           HA       ASP  20   2.159 -12.116 -16.739
  137    HB2  ASP  20           2HB      ASP  20   0.966 -10.156 -14.766
  138    HB3  ASP  20           1HB      ASP  20   2.270  -9.767 -15.885
  139    H    ALA  21           H        ALA  21   1.633 -12.549 -13.345
  140    HA   ALA  21           HA       ALA  21   4.546 -12.524 -12.878
  141    HB1  ALA  21           1HB      ALA  21   4.229 -11.267 -11.069
  142    HB2  ALA  21           2HB      ALA  21   3.027 -12.393 -10.439
  143    HB3  ALA  21           3HB      ALA  21   2.537 -11.104 -11.538
  144    HA   PRO  22           HA       PRO  22   3.013 -16.881 -12.297
  145    HB2  PRO  22           2HB      PRO  22   4.846 -18.069 -13.859
  146    HB3  PRO  22           1HB      PRO  22   3.390 -17.329 -14.529
  147    HG2  PRO  22           2HG      PRO  22   6.164 -16.213 -14.370
  148    HG3  PRO  22           1HG      PRO  22   5.038 -16.207 -15.741
  149    HD2  PRO  22           2HD      PRO  22   5.381 -14.062 -14.111
  150    HD3  PRO  22           1HD      PRO  22   3.836 -14.427 -14.906
  151    H    ALA  23           H        ALA  23   5.826 -15.110 -11.717
  152    HA   ALA  23           HA       ALA  23   6.723 -17.101  -9.758
  153    HB1  ALA  23           1HB      ALA  23   8.193 -16.240 -12.094
  154    HB2  ALA  23           2HB      ALA  23   8.568 -17.515 -10.934
  155    HB3  ALA  23           3HB      ALA  23   9.063 -15.855 -10.609
  156    H    CYS  24           H        CYS  24   7.995 -16.162  -8.003
  157    HA   CYS  24           HA       CYS  24   6.860 -13.802  -7.012
  158    HB2  CYS  24           2HB      CYS  24   7.965 -15.745  -5.745
  159    HB3  CYS  24           1HB      CYS  24   9.486 -14.915  -6.057
  160    HG   CYS  24           HG       CYS  24   7.774 -12.915  -4.785
  161    H    ASN  25           H        ASN  25   7.293 -11.768  -7.343
  162    HA   ASN  25           HA       ASN  25   9.251 -10.847  -9.143
  163    HB2  ASN  25           2HB      ASN  25   7.567  -9.387  -7.104
  164    HB3  ASN  25           1HB      ASN  25   8.578  -8.581  -8.299
  165   HD21  ASN  25          1HD2      ASN  25   8.203  -9.794 -10.572
  166   HD22  ASN  25          2HD2      ASN  25   6.542  -9.817 -11.048
  167    H    GLY  26           H        GLY  26   9.330 -11.412  -5.709
  168    HA2  GLY  26           2HA      GLY  26  11.635  -9.723  -5.283
  169    HA3  GLY  26           1HA      GLY  26  10.845 -10.735  -4.091
  170    H    CYS  27           H        CYS  27  11.116 -13.254  -4.891
  171    HA   CYS  27           HA       CYS  27  14.033 -13.543  -5.052
  172    HB2  CYS  27           2HB      CYS  27  13.769 -15.680  -3.941
  173    HB3  CYS  27           1HB      CYS  27  12.940 -14.425  -3.024
  174    HG   CYS  27           HG       CYS  27  11.304 -16.373  -3.103
  175    H    GLY  28           H        GLY  28  11.465 -13.805  -7.110
  176    HA2  GLY  28           2HA      GLY  28  11.415 -14.641  -9.255
  177    HA3  GLY  28           1HA      GLY  28  13.034 -15.269  -9.002
  178    H    CYS  29           H        CYS  29  11.170 -16.415  -6.503
  179    HA   CYS  29           HA       CYS  29  11.195 -19.066  -7.525
  180    HB2  CYS  29           2HB      CYS  29  10.288 -19.747  -5.473
  181    HB3  CYS  29           1HB      CYS  29  11.243 -18.328  -5.060
  182    HG   CYS  29           HG       CYS  29   8.229 -18.600  -4.766
  183    H    VAL  30           H        VAL  30   9.511 -20.350  -8.291
  184    HA   VAL  30           HA       VAL  30   7.408 -18.844  -9.579
  185    HB   VAL  30           HB       VAL  30   8.188 -20.415 -11.040
  186   HG11  VAL  30          1HG1      VAL  30   8.246 -22.353  -8.739
  187   HG12  VAL  30          2HG1      VAL  30   9.612 -21.716  -9.653
  188   HG13  VAL  30          3HG1      VAL  30   8.487 -22.839 -10.416
  189   HG21  VAL  30          1HG2      VAL  30   5.943 -21.984  -9.812
  190   HG22  VAL  30          2HG2      VAL  30   6.387 -21.855 -11.514
  191   HG23  VAL  30          3HG2      VAL  30   5.681 -20.469 -10.678
  192    H    PHE  31           H        PHE  31   5.250 -19.018  -9.329
  193    HA   PHE  31           HA       PHE  31   4.331 -19.927  -6.735
  194    HB2  PHE  31           2HB      PHE  31   2.877 -18.536  -8.997
  195    HB3  PHE  31           1HB      PHE  31   2.161 -18.917  -7.433
  196    HD1  PHE  31           1HD      PHE  31   3.199 -17.904  -5.362
  197    HD2  PHE  31           2HD      PHE  31   4.115 -16.581  -9.302
  198    HE1  PHE  31           1HE      PHE  31   4.063 -15.790  -4.449
  199    HE2  PHE  31           2HE      PHE  31   4.982 -14.464  -8.394
  200    HZ   PHE  31           HZ       PHE  31   4.960 -14.070  -5.963
  201    H    THR  32           H        THR  32   3.128 -21.639  -6.315
  202    HA   THR  32           HA       THR  32   2.187 -23.297  -8.557
  203    HB   THR  32           HB       THR  32   2.859 -25.298  -7.418
  204    HG1  THR  32           1HG      THR  32   3.977 -25.115  -5.389
  205   HG21  THR  32          1HG2      THR  32   4.713 -23.490  -8.358
  206   HG22  THR  32          2HG2      THR  32   4.993 -25.194  -7.999
  207   HG23  THR  32          3HG2      THR  32   5.347 -23.967  -6.783
  208    H    THR  33           H        THR  33   0.559 -24.970  -7.799
  209    HA   THR  33           HA       THR  33  -1.739 -23.783  -6.867
  210    HB   THR  33           HB       THR  33  -0.993 -26.685  -6.486
  211    HG1  THR  33           1HG      THR  33  -1.499 -26.988  -8.539
  212   HG21  THR  33          1HG2      THR  33  -3.209 -25.539  -5.532
  213   HG22  THR  33          2HG2      THR  33  -3.161 -27.188  -6.157
  214   HG23  THR  33          3HG2      THR  33  -3.737 -25.873  -7.181
  215    H    THR  34           H        THR  34   0.668 -25.558  -4.919
  216    HA   THR  34           HA       THR  34  -0.794 -25.318  -2.518
  217    HB   THR  34           HB       THR  34   2.206 -25.604  -2.820
  218    HG1  THR  34           1HG      THR  34   1.831 -27.572  -3.400
  219   HG21  THR  34          1HG2      THR  34   1.848 -26.968  -0.670
  220   HG22  THR  34          2HG2      THR  34   0.348 -26.052  -0.526
  221   HG23  THR  34          3HG2      THR  34   1.895 -25.208  -0.562
  222    H    VAL  35           H        VAL  35   1.566 -23.208  -4.085
  223    HA   VAL  35           HA       VAL  35   1.560 -21.394  -1.819
  224    HB   VAL  35           HB       VAL  35   2.863 -21.122  -4.523
  225   HG11  VAL  35          1HG1      VAL  35   4.220 -19.363  -3.261
  226   HG12  VAL  35          2HG1      VAL  35   2.916 -19.390  -2.075
  227   HG13  VAL  35          3HG1      VAL  35   2.580 -18.934  -3.744
  228   HG21  VAL  35          1HG2      VAL  35   4.801 -21.314  -2.533
  229   HG22  VAL  35          2HG2      VAL  35   4.377 -22.542  -3.727
  230   HG23  VAL  35          3HG2      VAL  35   3.612 -22.556  -2.138
  231    H    ARG  36           H        ARG  36  -0.056 -20.105  -1.544
  232    HA   ARG  36           HA       ARG  36  -1.861 -19.288  -3.620
  233    HB2  ARG  36           2HB      ARG  36  -1.567 -18.323  -0.767
  234    HB3  ARG  36           1HB      ARG  36  -2.904 -17.932  -1.841
  235    HG2  ARG  36           2HG      ARG  36  -2.178 -20.716  -0.955
  236    HG3  ARG  36           1HG      ARG  36  -3.433 -19.717  -0.220
  237    HD2  ARG  36           2HD      ARG  36  -3.370 -20.549  -3.118
  238    HD3  ARG  36           1HD      ARG  36  -4.310 -21.355  -1.862
  239    HE   ARG  36           HE       ARG  36  -4.959 -18.910  -3.197
  240   HH11  ARG  36          1HH1      ARG  36  -5.319 -20.696  -0.233
  241   HH12  ARG  36          2HH1      ARG  36  -6.787 -19.900   0.224
  242   HH21  ARG  36          1HH2      ARG  36  -6.894 -17.849  -2.608
  243   HH22  ARG  36          2HH2      ARG  36  -7.685 -18.279  -1.128
  244    H    ARG  37           H        ARG  37  -2.175 -17.206  -4.430
  245    HA   ARG  37           HA       ARG  37   0.270 -15.695  -4.726
  246    HB2  ARG  37           2HB      ARG  37  -1.244 -16.105  -6.641
  247    HB3  ARG  37           1HB      ARG  37  -2.483 -15.143  -5.847
  248    HG2  ARG  37           2HG      ARG  37  -1.036 -13.180  -5.955
  249    HG3  ARG  37           1HG      ARG  37   0.214 -14.149  -6.738
  250    HD2  ARG  37           2HD      ARG  37  -1.011 -12.870  -8.389
  251    HD3  ARG  37           1HD      ARG  37  -1.312 -14.595  -8.604
  252    HE   ARG  37           HE       ARG  37  -3.411 -14.018  -7.180
  253   HH11  ARG  37          1HH1      ARG  37  -1.975 -12.020  -9.656
  254   HH12  ARG  37          2HH1      ARG  37  -3.475 -11.280 -10.098
  255   HH21  ARG  37          1HH2      ARG  37  -5.378 -13.055  -7.769
  256   HH22  ARG  37          2HH2      ARG  37  -5.407 -11.866  -9.027
  257    H    HIS  38           H        HIS  38   0.694 -13.660  -3.986
  258    HA   HIS  38           HA       HIS  38  -1.344 -12.295  -2.404
  259    HB2  HIS  38           2HB      HIS  38   1.401 -13.012  -1.361
  260    HB3  HIS  38           1HB      HIS  38   0.277 -11.922  -0.559
  261    HD1  HIS  38           1HD      HIS  38  -2.186 -13.182  -0.091
  262    HD2  HIS  38           2HD      HIS  38   1.224 -15.532  -0.421
  263    HE1  HIS  38           1HE      HIS  38  -2.764 -15.363   1.018
  264    HE2  HIS  38           2HE      HIS  38  -0.655 -16.736   0.886
  265    H    HIS  39           H        HIS  39  -0.606 -10.079  -1.759
  266    HA   HIS  39           HA       HIS  39   1.310  -8.965  -3.703
  267    HB2  HIS  39           2HB      HIS  39  -1.379  -7.780  -2.985
  268    HB3  HIS  39           1HB      HIS  39  -0.183  -7.041  -4.043
  269    HD1  HIS  39           1HD      HIS  39   0.354  -8.497  -6.288
  270    HD2  HIS  39           2HD      HIS  39  -3.169  -9.372  -4.261
  271    HE1  HIS  39           1HE      HIS  39  -1.076  -9.751  -7.935
  272    HE2  HIS  39           2HE      HIS  39  -3.174 -10.329  -6.665
  273    H    CYS  40           H        CYS  40   2.450  -7.125  -3.063
  274    HA   CYS  40           HA       CYS  40   2.594  -6.687  -0.176
  275    HB2  CYS  40           2HB      CYS  40   4.718  -7.060  -1.272
  276    HB3  CYS  40           1HB      CYS  40   4.351  -5.855  -2.502
  277    HG   CYS  40           HG       CYS  40   5.087  -4.048  -0.986
  278    H    ARG  41           H        ARG  41   1.974  -4.792   0.763
  279    HA   ARG  41           HA       ARG  41   0.160  -3.152  -0.670
  280    HB2  ARG  41           2HB      ARG  41   1.300  -2.856   2.107
  281    HB3  ARG  41           1HB      ARG  41  -0.030  -1.901   1.466
  282    HG2  ARG  41           2HG      ARG  41  -1.274  -4.046   1.097
  283    HG3  ARG  41           1HG      ARG  41   0.016  -4.864   1.983
  284    HD2  ARG  41           2HD      ARG  41  -1.709  -4.439   3.548
  285    HD3  ARG  41           1HD      ARG  41  -0.433  -3.268   3.880
  286    HE   ARG  41           HE       ARG  41  -1.836  -1.569   3.189
  287   HH11  ARG  41          1HH1      ARG  41  -3.259  -4.668   2.471
  288   HH12  ARG  41          2HH1      ARG  41  -4.816  -4.009   2.092
  289   HH21  ARG  41          1HH2      ARG  41  -3.886  -0.694   2.691
  290   HH22  ARG  41          2HH2      ARG  41  -5.172  -1.754   2.218
  291    H    ASN  42           H        ASN  42   3.480  -3.001  -0.627
  292    HA   ASN  42           HA       ASN  42   3.542  -0.081  -0.876
  293    HB2  ASN  42           2HB      ASN  42   5.556  -2.136  -0.141
  294    HB3  ASN  42           1HB      ASN  42   6.140  -0.734  -1.023
  295   HD21  ASN  42          1HD2      ASN  42   5.327  -1.973   1.954
  296   HD22  ASN  42          2HD2      ASN  42   5.333  -0.509   2.867
  297    H    CYS  43           H        CYS  43   5.347  -2.708  -2.477
  298    HA   CYS  43           HA       CYS  43   5.598  -1.166  -4.861
  299    HB2  CYS  43           2HB      CYS  43   6.756  -3.129  -5.770
  300    HB3  CYS  43           1HB      CYS  43   7.357  -2.706  -4.173
  301    HG   CYS  43           HG       CYS  43   5.299  -4.867  -3.916
  302    H    GLY  44           H        GLY  44   3.330  -3.524  -3.735
  303    HA2  GLY  44           2HA      GLY  44   1.307  -4.150  -4.646
  304    HA3  GLY  44           1HA      GLY  44   1.610  -3.035  -5.969
  305    H    TYR  45           H        TYR  45   3.990  -5.426  -5.254
  306    HA   TYR  45           HA       TYR  45   3.347  -6.788  -7.768
  307    HB2  TYR  45           2HB      TYR  45   5.857  -6.891  -6.085
  308    HB3  TYR  45           1HB      TYR  45   5.628  -7.710  -7.622
  309    HD1  TYR  45           2HD      TYR  45   4.337  -5.645  -9.255
  310    HD2  TYR  45           1HD      TYR  45   7.517  -5.312  -6.448
  311    HE1  TYR  45           2HE      TYR  45   5.172  -3.662 -10.445
  312    HE2  TYR  45           1HE      TYR  45   8.360  -3.328  -7.630
  313    HH   TYR  45           HH       TYR  45   8.113  -2.482 -10.211
  314    H    VAL  46           H        VAL  46   3.688  -9.135  -7.834
  315    HA   VAL  46           HA       VAL  46   2.211 -10.348  -5.688
  316    HB   VAL  46           HB       VAL  46   3.406 -11.626  -8.154
  317   HG11  VAL  46          1HG1      VAL  46   3.072 -13.193  -6.259
  318   HG12  VAL  46          2HG1      VAL  46   2.050 -13.553  -7.653
  319   HG13  VAL  46          3HG1      VAL  46   1.366 -12.748  -6.239
  320   HG21  VAL  46          1HG2      VAL  46   0.927 -10.154  -7.629
  321   HG22  VAL  46          2HG2      VAL  46   0.694 -11.708  -8.429
  322   HG23  VAL  46          3HG2      VAL  46   1.745 -10.493  -9.154
  323    H    LEU  47           H        LEU  47   2.977 -11.472  -4.017
  324    HA   LEU  47           HA       LEU  47   5.748 -12.450  -4.117
  325    HB2  LEU  47           2HB      LEU  47   4.443 -10.893  -1.884
  326    HB3  LEU  47           1HB      LEU  47   5.912 -11.820  -1.673
  327    HG   LEU  47           HG       LEU  47   6.307  -9.405  -1.944
  328   HD11  LEU  47          1HD1      LEU  47   8.281 -10.137  -2.609
  329   HD12  LEU  47          2HD1      LEU  47   7.710 -10.016  -4.272
  330   HD13  LEU  47          3HD1      LEU  47   7.556 -11.537  -3.396
  331   HD21  LEU  47          1HD2      LEU  47   4.384  -9.458  -3.842
  332   HD22  LEU  47          2HD2      LEU  47   5.842  -9.449  -4.834
  333   HD23  LEU  47          3HD2      LEU  47   5.568  -8.166  -3.653
  334    H    CYS  48           H        CYS  48   6.099 -14.387  -3.129
  335    HA   CYS  48           HA       CYS  48   3.759 -15.927  -2.394
  336    HB2  CYS  48           2HB      CYS  48   5.169 -17.841  -2.431
  337    HB3  CYS  48           1HB      CYS  48   5.722 -16.831  -3.763
  338    HG   CYS  48           HG       CYS  48   7.268 -16.951  -1.063
  339    H    GLY  49           H        GLY  49   4.172 -17.426  -0.308
  340    HA2  GLY  49           2HA      GLY  49   3.997 -15.783   1.904
  341    HA3  GLY  49           1HA      GLY  49   4.429 -17.485   1.977
  342    H    ASP  50           H        ASP  50   6.844 -17.656   0.878
  343    HA   ASP  50           HA       ASP  50   8.597 -16.832   2.859
  344    HB2  ASP  50           2HB      ASP  50   9.069 -17.661   0.002
  345    HB3  ASP  50           1HB      ASP  50  10.395 -17.281   1.094
  346    H    CYS  51           H        CYS  51   7.728 -15.159  -0.096
  347    HA   CYS  51           HA       CYS  51   9.695 -13.083   0.451
  348    HB2  CYS  51           2HB      CYS  51   8.031 -13.844  -1.883
  349    HB3  CYS  51           1HB      CYS  51   8.437 -12.138  -1.721
  350    HG   CYS  51           HG       CYS  51  10.520 -12.786  -2.843
  351    H    SER  52           H        SER  52   6.672 -13.739   1.546
  352    HA   SER  52           HA       SER  52   6.128 -10.896   2.021
  353    HB2  SER  52           2HB      SER  52   3.746 -11.232   1.722
  354    HB3  SER  52           1HB      SER  52   4.579 -11.773   0.263
  355    HG   SER  52           HG       SER  52   3.292 -13.273   2.251
  356    H    ARG  53           H        ARG  53   7.413 -13.091   3.554
  357    HA   ARG  53           HA       ARG  53   5.566 -13.784   5.649
  358    HB2  ARG  53           2HB      ARG  53   8.433 -14.332   5.069
  359    HB3  ARG  53           1HB      ARG  53   7.913 -14.439   6.746
  360    HG2  ARG  53           2HG      ARG  53   6.674 -15.955   4.460
  361    HG3  ARG  53           1HG      ARG  53   7.876 -16.602   5.572
  362    HD2  ARG  53           2HD      ARG  53   6.310 -16.097   7.443
  363    HD3  ARG  53           1HD      ARG  53   5.101 -15.637   6.245
  364    HE   ARG  53           HE       ARG  53   5.915 -18.173   5.550
  365   HH11  ARG  53          1HH1      ARG  53   4.469 -16.653   8.328
  366   HH12  ARG  53          2HH1      ARG  53   3.619 -18.077   8.829
  367   HH21  ARG  53          1HH2      ARG  53   4.800 -20.057   6.201
  368   HH22  ARG  53          2HH2      ARG  53   3.810 -20.012   7.622
  369    H    HIS  54           H        HIS  54   7.762 -11.166   5.016
  370    HA   HIS  54           HA       HIS  54   8.097 -10.411   7.748
  371    HB2  HIS  54           2HB      HIS  54   8.652  -9.016   5.140
  372    HB3  HIS  54           1HB      HIS  54   8.895  -8.220   6.684
  373    HD1  HIS  54           1HD      HIS  54  10.529  -9.770   8.367
  374    HD2  HIS  54           2HD      HIS  54  10.896 -10.217   4.254
  375    HE1  HIS  54           1HE      HIS  54  12.806 -10.773   8.001
  376    HE2  HIS  54           2HE      HIS  54  12.964 -11.130   5.511
  377    H    ARG  55           H        ARG  55   7.486  -8.253   8.520
  378    HA   ARG  55           HA       ARG  55   4.944  -7.260   7.486
  379    HB2  ARG  55           2HB      ARG  55   5.403  -8.008  10.384
  380    HB3  ARG  55           1HB      ARG  55   3.973  -7.204   9.748
  381    HG2  ARG  55           2HG      ARG  55   3.514  -9.169   8.344
  382    HG3  ARG  55           1HG      ARG  55   4.907  -9.980   9.059
  383    HD2  ARG  55           2HD      ARG  55   3.813  -9.612  11.303
  384    HD3  ARG  55           1HD      ARG  55   2.370  -9.111  10.421
  385    HE   ARG  55           HE       ARG  55   3.341 -11.662   9.576
  386   HH11  ARG  55          1HH1      ARG  55   1.458 -10.018  11.996
  387   HH12  ARG  55          2HH1      ARG  55   0.508 -11.411  12.392
  388   HH21  ARG  55          1HH2      ARG  55   2.097 -13.507  10.088
  389   HH22  ARG  55          2HH2      ARG  55   0.875 -13.396  11.312
  390    H    ALA  56           H        ALA  56   4.800  -5.099   7.555
  391    HA   ALA  56           HA       ALA  56   6.336  -3.522   9.430
  392    HB1  ALA  56           1HB      ALA  56   8.175  -3.637   8.095
  393    HB2  ALA  56           2HB      ALA  56   7.368  -2.257   7.350
  394    HB3  ALA  56           3HB      ALA  56   7.233  -3.858   6.621
  395    H    ALA  57           H        ALA  57   5.862  -1.245   9.363
  396    HA   ALA  57           HA       ALA  57   3.196  -0.722   8.348
  397    HB1  ALA  57           1HB      ALA  57   3.259   1.278   9.661
  398    HB2  ALA  57           2HB      ALA  57   5.006   1.155   9.871
  399    HB3  ALA  57           3HB      ALA  57   3.940  -0.018  10.646
  400    H    ILE  58           H        ILE  58   2.758   1.265   7.106
  401    HA   ILE  58           HA       ILE  58   5.030   2.119   5.458
  402    HB   ILE  58           HB       ILE  58   2.377   1.793   4.147
  403   HG12  ILE  58          2HG1      ILE  58   4.272  -0.479   4.781
  404   HG13  ILE  58          1HG1      ILE  58   2.584  -0.343   5.259
  405   HG21  ILE  58          1HG2      ILE  58   4.274   2.833   3.001
  406   HG22  ILE  58          2HG2      ILE  58   3.773   1.339   2.210
  407   HG23  ILE  58          3HG2      ILE  58   5.213   1.360   3.226
  408   HD11  ILE  58          1HD1      ILE  58   3.488  -1.756   3.139
  409   HD12  ILE  58          2HD1      ILE  58   3.046  -0.233   2.370
  410   HD13  ILE  58          3HD1      ILE  58   1.848  -1.132   3.300
  411    HA   PRO  59           HA       PRO  59   2.641   5.648   7.313
  412    HB2  PRO  59           2HB      PRO  59   4.881   7.164   7.742
  413    HB3  PRO  59           1HB      PRO  59   4.208   6.024   8.910
  414    HG2  PRO  59           2HG      PRO  59   6.473   5.649   6.990
  415    HG3  PRO  59           1HG      PRO  59   6.348   5.143   8.686
  416    HD2  PRO  59           2HD      PRO  59   5.982   3.408   6.668
  417    HD3  PRO  59           1HD      PRO  59   5.037   3.301   8.168
  418    H    MET  60           H        MET  60   4.690   5.326   4.530
  419    HA   MET  60           HA       MET  60   4.218   8.068   3.684
  420    HB2  MET  60           2HB      MET  60   5.533   5.720   2.299
  421    HB3  MET  60           1HB      MET  60   5.433   7.346   1.638
  422    HG2  MET  60           2HG      MET  60   6.713   8.157   3.609
  423    HG3  MET  60           1HG      MET  60   6.918   6.478   4.106
  424    HE1  MET  60           1HE      MET  60   7.881   5.174   0.706
  425    HE2  MET  60           2HE      MET  60   7.429   4.766   2.362
  426    HE3  MET  60           3HE      MET  60   9.130   4.813   1.899
  427    H    ARG  61           H        ARG  61   3.182   4.807   3.051
  428    HA   ARG  61           HA       ARG  61   1.396   5.540   0.899
  429    HB2  ARG  61           2HB      ARG  61   1.546   2.923   2.390
  430    HB3  ARG  61           1HB      ARG  61   0.862   3.206   0.795
  431    HG2  ARG  61           2HG      ARG  61   3.769   3.531   1.500
  432    HG3  ARG  61           1HG      ARG  61   3.066   2.116   0.716
  433    HD2  ARG  61           2HD      ARG  61   2.929   4.914  -0.387
  434    HD3  ARG  61           1HD      ARG  61   4.160   3.732  -0.835
  435    HE   ARG  61           HE       ARG  61   1.501   2.739  -1.178
  436   HH11  ARG  61          1HH1      ARG  61   4.002   4.677  -2.630
  437   HH12  ARG  61          2HH1      ARG  61   3.446   4.413  -4.250
  438   HH21  ARG  61          1HH2      ARG  61   0.759   2.385  -3.301
  439   HH22  ARG  61          2HH2      ARG  61   1.599   3.108  -4.631
  440    H    GLY  62           H        GLY  62   1.239   6.094   4.067
  441    HA2  GLY  62           2HA      GLY  62  -0.631   6.999   5.184
  442    HA3  GLY  62           1HA      GLY  62  -1.683   6.162   4.051
  443    H    ILE  63           H        ILE  63   0.730   4.119   5.180
  444    HA   ILE  63           HA       ILE  63  -1.174   2.841   7.007
  445    HB   ILE  63           HB       ILE  63   1.327   1.747   5.706
  446   HG12  ILE  63          2HG1      ILE  63  -1.535   0.998   5.125
  447   HG13  ILE  63          1HG1      ILE  63  -0.700   2.272   4.243
  448   HG21  ILE  63          1HG2      ILE  63  -0.750   0.382   7.408
  449   HG22  ILE  63          2HG2      ILE  63   0.950   0.635   7.802
  450   HG23  ILE  63          3HG2      ILE  63   0.503  -0.451   6.486
  451   HD11  ILE  63          1HD1      ILE  63  -0.756  -0.017   3.178
  452   HD12  ILE  63          2HD1      ILE  63   0.379  -0.518   4.430
  453   HD13  ILE  63          3HD1      ILE  63   0.822   0.761   3.299
  454    H    THR  64           H        THR  64  -0.884   3.745   8.983
  455    HA   THR  64           HA       THR  64   1.791   4.295   9.970
  456    HB   THR  64           HB       THR  64   0.647   5.257  11.924
  457    HG1  THR  64           1HG      THR  64  -1.547   5.219  12.080
  458   HG21  THR  64          1HG2      THR  64   0.943   6.606   9.835
  459   HG22  THR  64          2HG2      THR  64  -0.367   7.129  10.897
  460   HG23  THR  64          3HG2      THR  64  -0.730   6.214   9.433
  461    H    GLU  65           H        GLU  65  -0.437   1.728  10.078
  462    HA   GLU  65           HA       GLU  65   0.823   0.607  12.484
  463    HB2  GLU  65           2HB      GLU  65  -1.565  -0.506  11.009
  464    HB3  GLU  65           1HB      GLU  65  -1.024  -0.901  12.634
  465    HG2  GLU  65           2HG      GLU  65  -2.592   0.527  13.305
  466    HG3  GLU  65           1HG      GLU  65  -1.456   1.785  12.822
  467    HA   PRO  66           HA       PRO  66   3.320  -2.015  10.019
  468    HB2  PRO  66           2HB      PRO  66   3.279  -4.330  11.560
  469    HB3  PRO  66           1HB      PRO  66   4.351  -2.954  11.832
  470    HG2  PRO  66           2HG      PRO  66   1.780  -3.648  13.183
  471    HG3  PRO  66           1HG      PRO  66   3.262  -2.960  13.871
  472    HD2  PRO  66           2HD      PRO  66   1.093  -1.446  13.368
  473    HD3  PRO  66           1HD      PRO  66   2.741  -0.815  13.167
  474    H    GLU  67           H        GLU  67   2.720  -2.875   8.195
  475    HA   GLU  67           HA       GLU  67   0.556  -4.863   8.164
  476    HB2  GLU  67           2HB      GLU  67   1.086  -2.678   6.145
  477    HB3  GLU  67           1HB      GLU  67  -0.077  -3.972   5.921
  478    HG2  GLU  67           2HG      GLU  67  -1.264  -3.193   7.953
  479    HG3  GLU  67           1HG      GLU  67  -0.150  -1.828   8.027
  480    H    ARG  68           H        ARG  68   0.611  -6.184   6.086
  481    HA   ARG  68           HA       ARG  68   3.166  -7.416   5.914
  482    HB2  ARG  68           2HB      ARG  68   2.088  -8.933   4.306
  483    HB3  ARG  68           1HB      ARG  68   1.166  -8.740   5.791
  484    HG2  ARG  68           2HG      ARG  68  -0.249  -7.059   4.577
  485    HG3  ARG  68           1HG      ARG  68   0.582  -7.545   3.096
  486    HD2  ARG  68           2HD      ARG  68  -1.432  -8.794   3.195
  487    HD3  ARG  68           1HD      ARG  68  -0.124  -9.903   3.599
  488    HE   ARG  68           HE       ARG  68  -2.211  -8.935   5.374
  489   HH11  ARG  68          1HH1      ARG  68   0.821 -10.626   5.048
  490   HH12  ARG  68          2HH1      ARG  68   0.668 -11.452   6.563
  491   HH21  ARG  68          1HH2      ARG  68  -2.414 -10.014   7.372
  492   HH22  ARG  68          2HH2      ARG  68  -1.170 -11.108   7.880
  493    H    VAL  69           H        VAL  69   4.669  -7.397   4.429
  494    HA   VAL  69           HA       VAL  69   4.322  -6.019   1.871
  495    HB   VAL  69           HB       VAL  69   6.468  -4.813   2.158
  496   HG11  VAL  69          1HG1      VAL  69   4.306  -3.685   2.479
  497   HG12  VAL  69          2HG1      VAL  69   5.590  -2.984   3.468
  498   HG13  VAL  69          3HG1      VAL  69   4.392  -4.049   4.205
  499   HG21  VAL  69          1HG2      VAL  69   7.664  -5.897   3.815
  500   HG22  VAL  69          2HG2      VAL  69   6.275  -5.988   4.903
  501   HG23  VAL  69          3HG2      VAL  69   7.102  -4.448   4.654
  502    H    CYS  70           H        CYS  70   6.704  -6.167   0.790
  503    HA   CYS  70           HA       CYS  70   7.398  -9.005   0.923
  504    HB2  CYS  70           2HB      CYS  70   8.109  -8.881  -1.277
  505    HB3  CYS  70           1HB      CYS  70   6.793  -7.718  -1.273
  506    HG   CYS  70           HG       CYS  70   8.521  -6.325  -2.348
  507    H    ASP  71           H        ASP  71  10.012  -8.759  -0.182
  508    HA   ASP  71           HA       ASP  71  11.389  -8.021   2.255
  509    HB2  ASP  71           2HB      ASP  71  12.417  -9.221  -0.325
  510    HB3  ASP  71           1HB      ASP  71  13.404  -8.949   1.110
  511    H    ALA  72           H        ALA  72  11.437  -6.877  -1.114
  512    HA   ALA  72           HA       ALA  72  13.491  -4.973  -0.686
  513    HB1  ALA  72           1HB      ALA  72  12.498  -3.918  -2.796
  514    HB2  ALA  72           2HB      ALA  72  11.390  -5.290  -2.801
  515    HB3  ALA  72           3HB      ALA  72  13.129  -5.560  -2.916
  516    H    CYS  73           H        CYS  73   9.959  -4.694  -0.650
  517    HA   CYS  73           HA       CYS  73   9.860  -1.918  -0.181
  518    HB2  CYS  73           2HB      CYS  73   7.836  -4.034   0.594
  519    HB3  CYS  73           1HB      CYS  73   7.533  -2.303   0.477
  520    HG   CYS  73           HG       CYS  73   8.266  -3.962  -2.047
  521    H    TYR  74           H        TYR  74   9.966  -4.715   1.985
  522    HA   TYR  74           HA       TYR  74   9.547  -3.358   4.396
  523    HB2  TYR  74           2HB      TYR  74   9.598  -5.830   4.206
  524    HB3  TYR  74           1HB      TYR  74  11.332  -5.760   3.904
  525    HD1  TYR  74           2HD      TYR  74   8.711  -5.183   6.448
  526    HD2  TYR  74           1HD      TYR  74  12.884  -5.532   5.693
  527    HE1  TYR  74           2HE      TYR  74   9.135  -5.292   8.868
  528    HE2  TYR  74           1HE      TYR  74  13.318  -5.644   8.111
  529    HH   TYR  74           HH       TYR  74  12.300  -5.061  10.195
  530    H    LEU  75           H        LEU  75  12.451  -3.906   2.488
  531    HA   LEU  75           HA       LEU  75  14.254  -2.665   4.312
  532    HB2  LEU  75           2HB      LEU  75  14.357  -3.623   1.500
  533    HB3  LEU  75           1HB      LEU  75  15.582  -2.479   2.012
  534    HG   LEU  75           HG       LEU  75  15.058  -4.989   3.578
  535   HD11  LEU  75          1HD1      LEU  75  15.624  -5.252   1.010
  536   HD12  LEU  75          2HD1      LEU  75  16.364  -6.284   2.234
  537   HD13  LEU  75          3HD1      LEU  75  17.256  -4.908   1.584
  538   HD21  LEU  75          1HD2      LEU  75  17.650  -4.532   3.847
  539   HD22  LEU  75          2HD2      LEU  75  16.454  -3.712   4.852
  540   HD23  LEU  75          3HD2      LEU  75  17.150  -2.885   3.458
  541    H    ALA  76           H        ALA  76  12.793  -1.527   1.257
  542    HA   ALA  76           HA       ALA  76  13.960   0.952   1.139
  543    HB1  ALA  76           1HB      ALA  76  12.515   0.059  -0.635
  544    HB2  ALA  76           2HB      ALA  76  12.033   1.691  -0.173
  545    HB3  ALA  76           3HB      ALA  76  11.103   0.305   0.395
  546    H    LEU  77           H        LEU  77  10.982   0.071   2.868
  547    HA   LEU  77           HA       LEU  77  10.558   2.649   3.967
  548    HB2  LEU  77           2HB      LEU  77   9.754  -0.058   5.050
  549    HB3  LEU  77           1HB      LEU  77   9.130   1.479   5.613
  550    HG   LEU  77           HG       LEU  77   8.792   0.548   2.769
  551   HD11  LEU  77          1HD1      LEU  77   6.400   0.366   4.337
  552   HD12  LEU  77          2HD1      LEU  77   7.665  -0.640   5.041
  553   HD13  LEU  77          3HD1      LEU  77   7.193  -0.867   3.357
  554   HD21  LEU  77          1HD2      LEU  77   8.515   2.972   3.300
  555   HD22  LEU  77          2HD2      LEU  77   7.205   2.530   4.395
  556   HD23  LEU  77          3HD2      LEU  77   7.059   2.199   2.668
  557    H    ARG  78           H        ARG  78  12.221  -0.244   5.013
  558    HA   ARG  78           HA       ARG  78  13.016   0.446   7.565
  559    HB2  ARG  78           2HB      ARG  78  13.259  -1.786   6.467
  560    HB3  ARG  78           1HB      ARG  78  14.614  -1.145   5.555
  561    HG2  ARG  78           2HG      ARG  78  15.709  -0.636   7.766
  562    HG3  ARG  78           1HG      ARG  78  14.423  -1.589   8.507
  563    HD2  ARG  78           2HD      ARG  78  15.066  -3.489   7.036
  564    HD3  ARG  78           1HD      ARG  78  16.439  -2.531   6.481
  565    HE   ARG  78           HE       ARG  78  16.211  -3.936   8.962
  566   HH11  ARG  78          1HH1      ARG  78  17.697  -1.223   7.363
  567   HH12  ARG  78          2HH1      ARG  78  19.019  -1.123   8.476
  568   HH21  ARG  78          1HH2      ARG  78  17.949  -3.816  10.433
  569   HH22  ARG  78          2HH2      ARG  78  19.164  -2.601  10.221
  570    H    SER  79           H        SER  79  14.066   1.769   4.563
  571    HA   SER  79           HA       SER  79  16.693   2.508   5.206
  572    HB2  SER  79           2HB      SER  79  16.528   4.099   3.403
  573    HB3  SER  79           1HB      SER  79  15.629   2.659   2.929
  574    HG   SER  79           HG       SER  79  14.216   4.217   2.497
  575    H    SER  80           H        SER  80  13.609   3.809   6.122
  576    HA   SER  80           HA       SER  80  14.982   5.912   7.663
  577    HB2  SER  80           2HB      SER  80  13.578   6.824   5.823
  578    HB3  SER  80           1HB      SER  80  12.174   6.033   6.536
  579    HG   SER  80           HG       SER  80  13.771   7.811   8.033
  580    H    ASN  81           H        ASN  81  14.448   6.139   9.796
  581    HA   ASN  81           HA       ASN  81  12.933   3.946  10.971
  582    HB2  ASN  81           2HB      ASN  81  14.689   6.078  12.200
  583    HB3  ASN  81           1HB      ASN  81  13.833   4.854  13.134
  584   HD21  ASN  81          1HD2      ASN  81  16.597   5.164  13.183
  585   HD22  ASN  81          2HD2      ASN  81  17.324   3.761  12.483
  586    H    MET  82           H        MET  82  11.101   4.168  12.184
  587    HA   MET  82           HA       MET  82   9.557   6.564  11.729
  588    HB2  MET  82           2HB      MET  82   8.895   3.981  13.149
  589    HB3  MET  82           1HB      MET  82   7.752   5.294  12.906
  590    HG2  MET  82           2HG      MET  82   8.104   5.046  10.452
  591    HG3  MET  82           1HG      MET  82   9.074   3.615  10.794
  592    HE1  MET  82           1HE      MET  82   5.931   5.461  11.204
  593    HE2  MET  82           2HE      MET  82   5.184   4.480  12.466
  594    HE3  MET  82           3HE      MET  82   4.672   4.299  10.788
  595    H    ALA  83           H        ALA  83   9.047   8.112  13.175
  596    HA   ALA  83           HA       ALA  83  10.618   8.451  15.488
  597    HB1  ALA  83           1HB      ALA  83   8.885  10.028  13.971
  598    HB2  ALA  83           2HB      ALA  83   9.859  10.536  15.351
  599    HB3  ALA  83           3HB      ALA  83   8.195  10.005  15.594
  600    H    GLY  84           H        GLY  84  10.157   8.232  17.661
  601    HA2  GLY  84           2HA      GLY  84   7.642   7.572  18.735
  602    HA3  GLY  84           1HA      GLY  84   8.526   6.084  18.432
  Start of MODEL    8
    1    H1   GLY   1           1HT      GLY   1  -3.548  20.068   2.743
    2    H2   GLY   1           2HT      GLY   1  -2.033  20.420   3.409
    3    H3   GLY   1           3HT      GLY   1  -3.127  19.455   4.264
    4    HA2  GLY   1           1HA      GLY   1  -1.337  18.759   2.085
    5    HA3  GLY   1           2HA      GLY   1  -1.887  17.783   3.439
    6    HA   PRO   2           HA       PRO   2  -4.732  15.512   0.990
    7    HB2  PRO   2           2HB      PRO   2  -6.936  16.363   2.794
    8    HB3  PRO   2           1HB      PRO   2  -6.408  14.736   2.350
    9    HG2  PRO   2           2HG      PRO   2  -5.856  15.737   4.758
   10    HG3  PRO   2           1HG      PRO   2  -4.679  14.731   3.893
   11    HD2  PRO   2           2HD      PRO   2  -4.734  17.696   4.261
   12    HD3  PRO   2           1HD      PRO   2  -3.348  16.585   4.247
   13    H    LEU   3           H        LEU   3  -6.165  15.769  -0.691
   14    HA   LEU   3           HA       LEU   3  -6.546  18.333  -1.746
   15    HB2  LEU   3           2HB      LEU   3  -8.068  15.808  -2.398
   16    HB3  LEU   3           1HB      LEU   3  -8.005  17.251  -3.392
   17    HG   LEU   3           HG       LEU   3  -5.734  15.359  -2.793
   18   HD11  LEU   3          1HD1      LEU   3  -7.603  14.948  -4.589
   19   HD12  LEU   3          2HD1      LEU   3  -5.907  14.631  -4.955
   20   HD13  LEU   3          3HD1      LEU   3  -6.667  16.120  -5.514
   21   HD21  LEU   3          1HD2      LEU   3  -4.928  17.166  -4.745
   22   HD22  LEU   3          2HD2      LEU   3  -4.356  17.080  -3.078
   23   HD23  LEU   3          3HD2      LEU   3  -5.687  18.159  -3.501
   24    H    GLY   4           H        GLY   4  -8.617  16.310   0.241
   25    HA2  GLY   4           2HA      GLY   4 -10.322  18.630   0.742
   26    HA3  GLY   4           1HA      GLY   4 -11.099  17.194   0.092
   27    H    SER   5           H        SER   5 -12.111  17.952   2.376
   28    HA   SER   5           HA       SER   5 -10.829  17.139   4.736
   29    HB2  SER   5           2HB      SER   5 -13.033  17.219   5.766
   30    HB3  SER   5           1HB      SER   5 -12.847  18.585   4.667
   31    HG   SER   5           HG       SER   5 -14.522  17.875   3.641
   32    H    MET   6           H        MET   6 -12.511  15.354   2.280
   33    HA   MET   6           HA       MET   6 -13.168  13.032   3.693
   34    HB2  MET   6           2HB      MET   6 -12.386  13.380   0.794
   35    HB3  MET   6           1HB      MET   6 -13.089  11.914   1.463
   36    HG2  MET   6           2HG      MET   6 -14.378  14.627   1.316
   37    HG3  MET   6           1HG      MET   6 -14.784  13.207   0.354
   38    HE1  MET   6           1HE      MET   6 -15.255  11.028   1.351
   39    HE2  MET   6           2HE      MET   6 -16.606  10.873   2.474
   40    HE3  MET   6           3HE      MET   6 -14.950  10.806   3.074
   41    H    GLY   7           H        GLY   7 -10.145  14.065   2.214
   42    HA2  GLY   7           2HA      GLY   7  -7.995  13.332   2.652
   43    HA3  GLY   7           1HA      GLY   7  -8.661  12.196   3.815
   44    H    GLU   8           H        GLU   8  -9.719  12.356   0.484
   45    HA   GLU   8           HA       GLU   8  -9.013   9.578   0.121
   46    HB2  GLU   8           2HB      GLU   8 -10.341  11.550  -1.752
   47    HB3  GLU   8           1HB      GLU   8 -10.135   9.834  -2.081
   48    HG2  GLU   8           2HG      GLU   8 -11.501   9.324  -0.092
   49    HG3  GLU   8           1HG      GLU   8 -11.763  11.053   0.136
   50    H    LYS   9           H        LYS   9  -7.111  12.132   0.046
   51    HA   LYS   9           HA       LYS   9  -5.850  12.111  -2.457
   52    HB2  LYS   9           2HB      LYS   9  -5.457  13.798  -0.646
   53    HB3  LYS   9           1HB      LYS   9  -4.546  12.580   0.235
   54    HG2  LYS   9           2HG      LYS   9  -2.952  12.448  -1.629
   55    HG3  LYS   9           1HG      LYS   9  -3.854  13.712  -2.468
   56    HD2  LYS   9           2HD      LYS   9  -3.449  15.205  -0.513
   57    HD3  LYS   9           1HD      LYS   9  -2.414  13.950   0.171
   58    HE2  LYS   9           2HE      LYS   9  -1.282  15.832  -1.134
   59    HE3  LYS   9           1HE      LYS   9  -0.822  14.177  -1.527
   60    HZ1  LYS   9           1HZ      LYS   9  -1.350  15.825  -3.419
   61    HZ2  LYS   9           2HZ      LYS   9  -2.967  15.506  -3.044
   62    HZ3  LYS   9           3HZ      LYS   9  -1.946  14.245  -3.521
   63    H    GLN  10           H        GLN  10  -6.001   9.819   0.042
   64    HA   GLN  10           HA       GLN  10  -3.581   8.455  -0.148
   65    HB2  GLN  10           2HB      GLN  10  -5.233   8.032   1.596
   66    HB3  GLN  10           1HB      GLN  10  -6.366   7.406   0.405
   67    HG2  GLN  10           2HG      GLN  10  -4.845   5.550  -0.060
   68    HG3  GLN  10           1HG      GLN  10  -3.706   6.185   1.125
   69   HE21  GLN  10          1HE2      GLN  10  -4.444   3.690   1.512
   70   HE22  GLN  10          2HE2      GLN  10  -5.575   3.543   2.810
   71    H    SER  11           H        SER  11  -2.828   6.806  -1.437
   72    HA   SER  11           HA       SER  11  -4.448   6.167  -3.816
   73    HB2  SER  11           2HB      SER  11  -2.394   6.049  -5.125
   74    HB3  SER  11           1HB      SER  11  -2.509   7.627  -4.344
   75    HG   SER  11           HG       SER  11  -0.927   7.076  -2.960
   76    H    LYS  12           H        LYS  12  -4.236   4.058  -4.686
   77    HA   LYS  12           HA       LYS  12  -3.371   2.083  -2.692
   78    HB2  LYS  12           2HB      LYS  12  -5.762   2.089  -3.488
   79    HB3  LYS  12           1HB      LYS  12  -5.167   1.629  -5.077
   80    HG2  LYS  12           2HG      LYS  12  -4.202  -0.412  -4.107
   81    HG3  LYS  12           1HG      LYS  12  -4.857   0.046  -2.534
   82    HD2  LYS  12           2HD      LYS  12  -7.131   0.057  -3.575
   83    HD3  LYS  12           1HD      LYS  12  -6.402  -0.605  -5.039
   84    HE2  LYS  12           2HE      LYS  12  -5.499  -2.465  -3.556
   85    HE3  LYS  12           1HE      LYS  12  -6.603  -1.866  -2.318
   86    HZ1  LYS  12           1HZ      LYS  12  -7.840  -3.485  -3.359
   87    HZ2  LYS  12           2HZ      LYS  12  -7.229  -3.139  -4.898
   88    HZ3  LYS  12           3HZ      LYS  12  -8.354  -2.098  -4.180
   89    H    GLY  13           H        GLY  13  -1.815   0.612  -3.123
   90    HA2  GLY  13           2HA      GLY  13   0.010   1.053  -5.211
   91    HA3  GLY  13           1HA      GLY  13  -0.041  -0.376  -4.193
   92    H    TYR  14           H        TYR  14   0.560  -0.211  -7.030
   93    HA   TYR  14           HA       TYR  14  -1.731  -1.199  -8.452
   94    HB2  TYR  14           2HB      TYR  14   0.011   0.069  -9.610
   95    HB3  TYR  14           1HB      TYR  14   1.187  -1.186  -9.236
   96    HD1  TYR  14           1HD      TYR  14  -1.850  -0.415 -11.196
   97    HD2  TYR  14           2HD      TYR  14   1.329  -3.167 -10.542
   98    HE1  TYR  14           1HE      TYR  14  -2.443  -1.589 -13.276
   99    HE2  TYR  14           2HE      TYR  14   0.745  -4.346 -12.618
  100    HH   TYR  14           HH       TYR  14  -1.194  -4.647 -14.080
  101    H    TRP  15           H        TRP  15  -2.452  -3.204  -8.423
  102    HA   TRP  15           HA       TRP  15  -0.794  -5.343  -7.307
  103    HB2  TRP  15           2HB      TRP  15  -2.886  -6.639  -7.241
  104    HB3  TRP  15           1HB      TRP  15  -3.054  -5.096  -6.411
  105    HD1  TRP  15           HD       TRP  15  -4.545  -3.199  -7.657
  106    HE1  TRP  15           1HE      TRP  15  -6.465  -3.424  -9.355
  107    HE3  TRP  15           3HE      TRP  15  -3.741  -8.020  -9.160
  108    HZ2  TRP  15           2HZ      TRP  15  -7.501  -5.383 -11.100
  109    HZ3  TRP  15           3HZ      TRP  15  -5.242  -8.994 -10.848
  110    HH2  TRP  15           HH       TRP  15  -7.084  -7.702 -11.798
  111    H    GLN  16           H        GLN  16   0.324  -6.630  -8.613
  112    HA   GLN  16           HA       GLN  16  -0.279  -6.743 -11.453
  113    HB2  GLN  16           2HB      GLN  16   2.070  -6.571 -10.656
  114    HB3  GLN  16           1HB      GLN  16   1.898  -8.136  -9.873
  115    HG2  GLN  16           2HG      GLN  16   1.567  -9.207 -12.017
  116    HG3  GLN  16           1HG      GLN  16   1.643  -7.644 -12.831
  117   HE21  GLN  16          1HE2      GLN  16   3.314  -9.467 -13.738
  118   HE22  GLN  16          2HE2      GLN  16   4.935  -9.172 -13.222
  119    H    GLU  17           H        GLU  17  -1.261  -8.287 -12.489
  120    HA   GLU  17           HA       GLU  17  -2.873 -10.126 -11.191
  121    HB2  GLU  17           2HB      GLU  17  -1.967 -10.061 -14.065
  122    HB3  GLU  17           1HB      GLU  17  -3.264 -11.081 -13.458
  123    HG2  GLU  17           2HG      GLU  17  -4.486  -9.067 -12.753
  124    HG3  GLU  17           1HG      GLU  17  -3.202  -8.072 -13.437
  125    H    ASP  18           H        ASP  18  -2.928 -12.400 -11.225
  126    HA   ASP  18           HA       ASP  18  -0.620 -13.745 -10.367
  127    HB2  ASP  18           2HB      ASP  18  -1.964 -15.782 -10.643
  128    HB3  ASP  18           1HB      ASP  18  -2.868 -14.506  -9.832
  129    H    GLU  19           H        GLU  19  -2.206 -13.711 -13.539
  130    HA   GLU  19           HA       GLU  19  -0.501 -15.608 -14.735
  131    HB2  GLU  19           2HB      GLU  19  -2.209 -13.440 -15.951
  132    HB3  GLU  19           1HB      GLU  19  -1.380 -14.673 -16.888
  133    HG2  GLU  19           2HG      GLU  19  -2.649 -16.404 -15.681
  134    HG3  GLU  19           1HG      GLU  19  -3.517 -15.133 -14.819
  135    H    ASP  20           H        ASP  20  -0.379 -12.070 -14.660
  136    HA   ASP  20           HA       ASP  20   1.824 -11.840 -16.417
  137    HB2  ASP  20           2HB      ASP  20   0.781  -9.954 -14.293
  138    HB3  ASP  20           1HB      ASP  20   2.043  -9.534 -15.448
  139    H    ALA  21           H        ALA  21   1.514 -12.297 -12.982
  140    HA   ALA  21           HA       ALA  21   4.451 -12.385 -12.725
  141    HB1  ALA  21           1HB      ALA  21   4.309 -11.301 -10.780
  142    HB2  ALA  21           2HB      ALA  21   2.986 -12.322 -10.216
  143    HB3  ALA  21           3HB      ALA  21   2.646 -10.925 -11.237
  144    HA   PRO  22           HA       PRO  22   2.931 -16.756 -12.240
  145    HB2  PRO  22           2HB      PRO  22   4.763 -17.878 -13.867
  146    HB3  PRO  22           1HB      PRO  22   3.277 -17.149 -14.483
  147    HG2  PRO  22           2HG      PRO  22   6.035 -15.988 -14.360
  148    HG3  PRO  22           1HG      PRO  22   4.871 -15.960 -15.698
  149    HD2  PRO  22           2HD      PRO  22   5.224 -13.858 -14.025
  150    HD3  PRO  22           1HD      PRO  22   3.660 -14.231 -14.777
  151    H    ALA  23           H        ALA  23   5.796 -15.023 -11.691
  152    HA   ALA  23           HA       ALA  23   6.701 -17.055  -9.772
  153    HB1  ALA  23           1HB      ALA  23   9.045 -16.584 -10.359
  154    HB2  ALA  23           2HB      ALA  23   8.494 -15.558 -11.683
  155    HB3  ALA  23           3HB      ALA  23   8.150 -17.287 -11.706
  156    H    CYS  24           H        CYS  24   7.963 -16.158  -7.990
  157    HA   CYS  24           HA       CYS  24   6.859 -13.796  -6.985
  158    HB2  CYS  24           2HB      CYS  24   7.856 -15.700  -5.668
  159    HB3  CYS  24           1HB      CYS  24   9.443 -15.053  -6.068
  160    HG   CYS  24           HG       CYS  24   7.385 -13.495  -4.335
  161    H    ASN  25           H        ASN  25   7.289 -11.761  -7.344
  162    HA   ASN  25           HA       ASN  25   9.243 -10.835  -9.124
  163    HB2  ASN  25           2HB      ASN  25   7.635  -9.390  -7.013
  164    HB3  ASN  25           1HB      ASN  25   8.645  -8.573  -8.200
  165   HD21  ASN  25          1HD2      ASN  25   8.193  -9.324 -10.514
  166   HD22  ASN  25          2HD2      ASN  25   6.526  -9.433 -10.954
  167    H    GLY  26           H        GLY  26   9.357 -11.443  -5.695
  168    HA2  GLY  26           2HA      GLY  26  11.745  -9.852  -5.314
  169    HA3  GLY  26           1HA      GLY  26  10.916 -10.802  -4.095
  170    H    CYS  27           H        CYS  27  11.021 -13.341  -4.886
  171    HA   CYS  27           HA       CYS  27  13.912 -13.813  -5.047
  172    HB2  CYS  27           2HB      CYS  27  13.498 -15.943  -3.961
  173    HB3  CYS  27           1HB      CYS  27  12.755 -14.644  -3.035
  174    HG   CYS  27           HG       CYS  27  10.745 -16.032  -3.123
  175    H    GLY  28           H        GLY  28  11.316 -13.916  -7.113
  176    HA2  GLY  28           2HA      GLY  28  11.167 -14.763  -9.238
  177    HA3  GLY  28           1HA      GLY  28  12.805 -15.365  -9.050
  178    H    CYS  29           H        CYS  29  10.824 -16.498  -6.556
  179    HA   CYS  29           HA       CYS  29  10.982 -19.170  -7.536
  180    HB2  CYS  29           2HB      CYS  29   9.993 -19.852  -5.512
  181    HB3  CYS  29           1HB      CYS  29  10.948 -18.437  -5.085
  182    HG   CYS  29           HG       CYS  29   7.862 -18.255  -5.434
  183    H    VAL  30           H        VAL  30   9.412 -20.498  -8.347
  184    HA   VAL  30           HA       VAL  30   7.290 -19.161  -9.761
  185    HB   VAL  30           HB       VAL  30   7.397 -22.117  -9.708
  186   HG11  VAL  30          1HG1      VAL  30   7.391 -21.300 -12.302
  187   HG12  VAL  30          2HG1      VAL  30   6.574 -19.958 -11.500
  188   HG13  VAL  30          3HG1      VAL  30   5.948 -21.598 -11.332
  189   HG21  VAL  30          1HG2      VAL  30   9.690 -21.939  -9.827
  190   HG22  VAL  30          2HG2      VAL  30   9.633 -20.372 -10.632
  191   HG23  VAL  30          3HG2      VAL  30   9.254 -21.840 -11.534
  192    H    PHE  31           H        PHE  31   5.151 -19.247  -9.411
  193    HA   PHE  31           HA       PHE  31   4.248 -20.170  -6.822
  194    HB2  PHE  31           2HB      PHE  31   2.882 -18.667  -9.056
  195    HB3  PHE  31           1HB      PHE  31   2.038 -19.185  -7.601
  196    HD1  PHE  31           1HD      PHE  31   2.522 -18.176  -5.452
  197    HD2  PHE  31           2HD      PHE  31   4.482 -16.865  -8.995
  198    HE1  PHE  31           1HE      PHE  31   3.265 -16.144  -4.284
  199    HE2  PHE  31           2HE      PHE  31   5.229 -14.830  -7.832
  200    HZ   PHE  31           HZ       PHE  31   4.620 -14.468  -5.473
  201    H    THR  32           H        THR  32   3.044 -21.867  -6.403
  202    HA   THR  32           HA       THR  32   2.044 -23.498  -8.639
  203    HB   THR  32           HB       THR  32   2.712 -25.521  -7.500
  204    HG1  THR  32           1HG      THR  32   3.249 -23.755  -5.414
  205   HG21  THR  32          1HG2      THR  32   4.842 -25.491  -8.146
  206   HG22  THR  32          2HG2      THR  32   5.246 -24.140  -7.088
  207   HG23  THR  32          3HG2      THR  32   4.506 -23.837  -8.660
  208    H    THR  33           H        THR  33   0.478 -25.216  -7.800
  209    HA   THR  33           HA       THR  33  -1.830 -24.077  -6.859
  210    HB   THR  33           HB       THR  33  -0.967 -26.934  -6.385
  211    HG1  THR  33           1HG      THR  33  -2.243 -25.753  -8.625
  212   HG21  THR  33          1HG2      THR  33  -3.559 -25.545  -6.171
  213   HG22  THR  33          2HG2      THR  33  -2.953 -26.968  -5.323
  214   HG23  THR  33          3HG2      THR  33  -3.560 -27.116  -6.973
  215    H    THR  34           H        THR  34   0.757 -25.549  -4.922
  216    HA   THR  34           HA       THR  34  -0.713 -25.265  -2.485
  217    HB   THR  34           HB       THR  34   1.391 -25.928  -1.378
  218    HG1  THR  34           1HG      THR  34   3.224 -25.716  -2.355
  219   HG21  THR  34          1HG2      THR  34  -0.015 -27.700  -2.340
  220   HG22  THR  34          2HG2      THR  34   1.702 -28.106  -2.343
  221   HG23  THR  34          3HG2      THR  34   0.913 -27.594  -3.836
  222    H    VAL  35           H        VAL  35   1.423 -23.163  -4.289
  223    HA   VAL  35           HA       VAL  35   1.688 -21.407  -1.961
  224    HB   VAL  35           HB       VAL  35   2.897 -21.171  -4.712
  225   HG11  VAL  35          1HG1      VAL  35   4.194 -19.336  -3.843
  226   HG12  VAL  35          2HG1      VAL  35   3.456 -19.525  -2.252
  227   HG13  VAL  35          3HG1      VAL  35   2.478 -18.993  -3.620
  228   HG21  VAL  35          1HG2      VAL  35   4.902 -21.401  -2.800
  229   HG22  VAL  35          2HG2      VAL  35   4.394 -22.635  -3.956
  230   HG23  VAL  35          3HG2      VAL  35   3.696 -22.603  -2.336
  231    H    ARG  36           H        ARG  36   0.119 -20.069  -1.613
  232    HA   ARG  36           HA       ARG  36  -1.741 -19.200  -3.624
  233    HB2  ARG  36           2HB      ARG  36  -1.351 -18.304  -0.761
  234    HB3  ARG  36           1HB      ARG  36  -2.694 -17.828  -1.792
  235    HG2  ARG  36           2HG      ARG  36  -3.347 -20.205  -1.973
  236    HG3  ARG  36           1HG      ARG  36  -2.056 -20.612  -0.841
  237    HD2  ARG  36           2HD      ARG  36  -4.082 -20.471   0.403
  238    HD3  ARG  36           1HD      ARG  36  -3.117 -19.050   0.800
  239    HE   ARG  36           HE       ARG  36  -4.810 -18.355  -1.297
  240   HH11  ARG  36          1HH1      ARG  36  -5.050 -19.340   2.034
  241   HH12  ARG  36          2HH1      ARG  36  -6.521 -18.470   2.320
  242   HH21  ARG  36          1HH2      ARG  36  -6.744 -17.202  -0.930
  243   HH22  ARG  36          2HH2      ARG  36  -7.483 -17.254   0.636
  244    H    ARG  37           H        ARG  37  -2.041 -17.136  -4.431
  245    HA   ARG  37           HA       ARG  37   0.390 -15.603  -4.735
  246    HB2  ARG  37           2HB      ARG  37  -1.127 -16.018  -6.645
  247    HB3  ARG  37           1HB      ARG  37  -2.379 -15.083  -5.838
  248    HG2  ARG  37           2HG      ARG  37  -1.000 -13.089  -5.958
  249    HG3  ARG  37           1HG      ARG  37   0.299 -14.020  -6.703
  250    HD2  ARG  37           2HD      ARG  37  -0.867 -12.851  -8.430
  251    HD3  ARG  37           1HD      ARG  37  -1.243 -14.565  -8.572
  252    HE   ARG  37           HE       ARG  37  -3.395 -14.069  -7.520
  253   HH11  ARG  37          1HH1      ARG  37  -1.604 -11.378  -8.849
  254   HH12  ARG  37          2HH1      ARG  37  -3.011 -10.397  -9.073
  255   HH21  ARG  37          1HH2      ARG  37  -5.238 -12.776  -7.815
  256   HH22  ARG  37          2HH2      ARG  37  -5.071 -11.185  -8.482
  257    H    HIS  38           H        HIS  38   0.807 -13.575  -3.968
  258    HA   HIS  38           HA       HIS  38  -1.247 -12.234  -2.381
  259    HB2  HIS  38           2HB      HIS  38   1.518 -12.871  -1.327
  260    HB3  HIS  38           1HB      HIS  38   0.305 -11.895  -0.505
  261    HD1  HIS  38           1HD      HIS  38  -2.015 -13.284   0.019
  262    HD2  HIS  38           2HD      HIS  38   1.439 -15.494  -0.653
  263    HE1  HIS  38           1HE      HIS  38  -2.479 -15.564   0.975
  264    HE2  HIS  38           2HE      HIS  38  -0.342 -16.854   0.640
  265    H    HIS  39           H        HIS  39  -0.577 -10.005  -1.760
  266    HA   HIS  39           HA       HIS  39   1.353  -8.873  -3.678
  267    HB2  HIS  39           2HB      HIS  39  -1.399  -7.821  -3.015
  268    HB3  HIS  39           1HB      HIS  39  -0.187  -6.912  -3.912
  269    HD1  HIS  39           1HD      HIS  39  -2.674  -9.644  -4.262
  270    HD2  HIS  39           2HD      HIS  39   0.320  -7.868  -6.530
  271    HE1  HIS  39           1HE      HIS  39  -3.045 -10.450  -6.615
  272    HE2  HIS  39           2HE      HIS  39  -1.172  -9.428  -7.954
  273    H    CYS  40           H        CYS  40   2.499  -7.050  -3.033
  274    HA   CYS  40           HA       CYS  40   2.640  -6.616  -0.147
  275    HB2  CYS  40           2HB      CYS  40   4.757  -7.025  -1.236
  276    HB3  CYS  40           1HB      CYS  40   4.412  -5.821  -2.472
  277    HG   CYS  40           HG       CYS  40   5.287  -4.059  -1.007
  278    H    ARG  41           H        ARG  41   2.097  -4.699   0.802
  279    HA   ARG  41           HA       ARG  41   0.306  -3.002  -0.603
  280    HB2  ARG  41           2HB      ARG  41   1.509  -2.702   2.149
  281    HB3  ARG  41           1HB      ARG  41   0.164  -1.758   1.524
  282    HG2  ARG  41           2HG      ARG  41   0.149  -4.750   1.852
  283    HG3  ARG  41           1HG      ARG  41  -0.540  -3.602   3.003
  284    HD2  ARG  41           2HD      ARG  41  -2.000  -2.749   1.178
  285    HD3  ARG  41           1HD      ARG  41  -1.381  -4.034   0.140
  286    HE   ARG  41           HE       ARG  41  -2.356  -5.204   2.481
  287   HH11  ARG  41          1HH1      ARG  41  -3.525  -3.462  -0.294
  288   HH12  ARG  41          2HH1      ARG  41  -5.090  -4.203  -0.266
  289   HH21  ARG  41          1HH2      ARG  41  -4.418  -6.187   2.534
  290   HH22  ARG  41          2HH2      ARG  41  -5.600  -5.750   1.346
  291    H    ASN  42           H        ASN  42   3.620  -2.980  -0.589
  292    HA   ASN  42           HA       ASN  42   3.820  -0.067  -0.815
  293    HB2  ASN  42           2HB      ASN  42   5.887  -2.227  -0.420
  294    HB3  ASN  42           1HB      ASN  42   6.320  -0.569  -0.808
  295   HD21  ASN  42          1HD2      ASN  42   6.311  -2.564   1.635
  296   HD22  ASN  42          2HD2      ASN  42   5.898  -1.512   2.940
  297    H    CYS  43           H        CYS  43   5.520  -2.734  -2.463
  298    HA   CYS  43           HA       CYS  43   5.744  -1.166  -4.843
  299    HB2  CYS  43           2HB      CYS  43   6.924  -3.085  -5.777
  300    HB3  CYS  43           1HB      CYS  43   7.520  -2.715  -4.164
  301    HG   CYS  43           HG       CYS  43   5.641  -4.812  -3.629
  302    H    GLY  44           H        GLY  44   3.502  -3.540  -3.693
  303    HA2  GLY  44           2HA      GLY  44   1.470  -4.170  -4.591
  304    HA3  GLY  44           1HA      GLY  44   1.766  -3.056  -5.916
  305    H    TYR  45           H        TYR  45   4.160  -5.432  -5.221
  306    HA   TYR  45           HA       TYR  45   3.499  -6.789  -7.728
  307    HB2  TYR  45           2HB      TYR  45   6.024  -6.909  -6.071
  308    HB3  TYR  45           1HB      TYR  45   5.778  -7.712  -7.613
  309    HD1  TYR  45           2HD      TYR  45   4.471  -5.649  -9.215
  310    HD2  TYR  45           1HD      TYR  45   7.674  -5.310  -6.436
  311    HE1  TYR  45           2HE      TYR  45   5.279  -3.652 -10.400
  312    HE2  TYR  45           1HE      TYR  45   8.492  -3.310  -7.614
  313    HH   TYR  45           HH       TYR  45   6.664  -1.840 -10.223
  314    H    VAL  46           H        VAL  46   3.774  -9.121  -7.818
  315    HA   VAL  46           HA       VAL  46   2.313 -10.333  -5.671
  316    HB   VAL  46           HB       VAL  46   3.504 -11.581  -8.153
  317   HG11  VAL  46          1HG1      VAL  46   3.279 -13.259  -6.435
  318   HG12  VAL  46          2HG1      VAL  46   2.015 -13.489  -7.645
  319   HG13  VAL  46          3HG1      VAL  46   1.629 -12.739  -6.095
  320   HG21  VAL  46          1HG2      VAL  46   1.464 -11.302  -9.190
  321   HG22  VAL  46          2HG2      VAL  46   1.561  -9.830  -8.224
  322   HG23  VAL  46          3HG2      VAL  46   0.584 -11.187  -7.667
  323    H    LEU  47           H        LEU  47   3.071 -11.467  -3.992
  324    HA   LEU  47           HA       LEU  47   5.843 -12.450  -4.090
  325    HB2  LEU  47           2HB      LEU  47   4.527 -10.952  -1.822
  326    HB3  LEU  47           1HB      LEU  47   6.019 -11.850  -1.651
  327    HG   LEU  47           HG       LEU  47   6.335  -9.407  -1.865
  328   HD11  LEU  47          1HD1      LEU  47   7.552 -11.357  -3.737
  329   HD12  LEU  47          2HD1      LEU  47   8.271 -10.467  -2.396
  330   HD13  LEU  47          3HD1      LEU  47   7.944  -9.649  -3.923
  331   HD21  LEU  47          1HD2      LEU  47   5.608  -8.168  -3.583
  332   HD22  LEU  47          2HD2      LEU  47   4.421  -9.464  -3.743
  333   HD23  LEU  47          3HD2      LEU  47   5.863  -9.456  -4.762
  334    H    CYS  48           H        CYS  48   6.175 -14.424  -3.166
  335    HA   CYS  48           HA       CYS  48   3.835 -15.975  -2.478
  336    HB2  CYS  48           2HB      CYS  48   5.208 -17.871  -2.589
  337    HB3  CYS  48           1HB      CYS  48   5.972 -16.784  -3.748
  338    HG   CYS  48           HG       CYS  48   7.507 -18.032  -1.722
  339    H    GLY  49           H        GLY  49   4.210 -17.482  -0.381
  340    HA2  GLY  49           2HA      GLY  49   3.901 -15.854   1.827
  341    HA3  GLY  49           1HA      GLY  49   4.366 -17.548   1.909
  342    H    ASP  50           H        ASP  50   6.817 -17.687   0.957
  343    HA   ASP  50           HA       ASP  50   8.461 -16.819   3.016
  344    HB2  ASP  50           2HB      ASP  50   9.084 -17.707   0.203
  345    HB3  ASP  50           1HB      ASP  50  10.344 -17.331   1.372
  346    H    CYS  51           H        CYS  51   7.736 -15.210  -0.005
  347    HA   CYS  51           HA       CYS  51   9.702 -13.142   0.548
  348    HB2  CYS  51           2HB      CYS  51   8.068 -13.923  -1.796
  349    HB3  CYS  51           1HB      CYS  51   8.476 -12.215  -1.652
  350    HG   CYS  51           HG       CYS  51  10.712 -14.380  -1.698
  351    H    SER  52           H        SER  52   6.663 -13.768   1.593
  352    HA   SER  52           HA       SER  52   6.125 -10.921   2.041
  353    HB2  SER  52           2HB      SER  52   3.800 -11.172   1.619
  354    HB3  SER  52           1HB      SER  52   4.604 -11.972   0.268
  355    HG   SER  52           HG       SER  52   2.788 -13.080   1.506
  356    H    ARG  53           H        ARG  53   7.416 -13.087   3.593
  357    HA   ARG  53           HA       ARG  53   5.559 -13.737   5.699
  358    HB2  ARG  53           2HB      ARG  53   8.505 -14.237   5.313
  359    HB3  ARG  53           1HB      ARG  53   7.700 -14.608   6.831
  360    HG2  ARG  53           2HG      ARG  53   6.142 -16.077   5.534
  361    HG3  ARG  53           1HG      ARG  53   7.170 -15.803   4.128
  362    HD2  ARG  53           2HD      ARG  53   9.094 -16.677   5.413
  363    HD3  ARG  53           1HD      ARG  53   7.998 -17.052   6.740
  364    HE   ARG  53           HE       ARG  53   8.269 -18.482   4.237
  365   HH11  ARG  53          1HH1      ARG  53   6.334 -17.910   7.077
  366   HH12  ARG  53          2HH1      ARG  53   5.483 -19.413   6.957
  367   HH21  ARG  53          1HH2      ARG  53   7.153 -20.464   4.072
  368   HH22  ARG  53          2HH2      ARG  53   5.953 -20.868   5.254
  369    H    HIS  54           H        HIS  54   7.698 -11.124   4.981
  370    HA   HIS  54           HA       HIS  54   8.091 -10.350   7.718
  371    HB2  HIS  54           2HB      HIS  54   8.631  -8.912   5.116
  372    HB3  HIS  54           1HB      HIS  54   9.035  -8.254   6.691
  373    HD1  HIS  54           1HD      HIS  54  10.782  -9.805   8.114
  374    HD2  HIS  54           2HD      HIS  54  10.576 -10.453   4.014
  375    HE1  HIS  54           1HE      HIS  54  12.894 -11.035   7.521
  376    HE2  HIS  54           2HE      HIS  54  12.731 -11.449   5.041
  377    H    ARG  55           H        ARG  55   7.467  -8.180   8.481
  378    HA   ARG  55           HA       ARG  55   4.973  -7.175   7.340
  379    HB2  ARG  55           2HB      ARG  55   5.301  -7.894  10.261
  380    HB3  ARG  55           1HB      ARG  55   3.911  -7.074   9.557
  381    HG2  ARG  55           2HG      ARG  55   3.504  -9.055   8.140
  382    HG3  ARG  55           1HG      ARG  55   4.827  -9.879   8.968
  383    HD2  ARG  55           2HD      ARG  55   2.261  -8.874  10.192
  384    HD3  ARG  55           1HD      ARG  55   2.734 -10.553   9.949
  385    HE   ARG  55           HE       ARG  55   4.163 -10.402  11.770
  386   HH11  ARG  55          1HH1      ARG  55   2.744  -7.301  11.052
  387   HH12  ARG  55          2HH1      ARG  55   3.233  -6.588  12.552
  388   HH21  ARG  55          1HH2      ARG  55   4.810  -9.468  13.745
  389   HH22  ARG  55          2HH2      ARG  55   4.408  -7.817  14.080
  390    H    ALA  56           H        ALA  56   4.766  -5.009   7.461
  391    HA   ALA  56           HA       ALA  56   6.315  -3.431   9.331
  392    HB1  ALA  56           1HB      ALA  56   6.937  -3.197   6.392
  393    HB2  ALA  56           2HB      ALA  56   7.984  -3.934   7.605
  394    HB3  ALA  56           3HB      ALA  56   7.612  -2.212   7.691
  395    H    ALA  57           H        ALA  57   5.791  -1.170   9.320
  396    HA   ALA  57           HA       ALA  57   3.126  -0.658   8.253
  397    HB1  ALA  57           1HB      ALA  57   3.410   1.486   9.632
  398    HB2  ALA  57           2HB      ALA  57   4.853   0.718  10.296
  399    HB3  ALA  57           3HB      ALA  57   3.273  -0.036  10.514
  400    H    ILE  58           H        ILE  58   2.692   1.236   6.971
  401    HA   ILE  58           HA       ILE  58   5.068   2.367   5.663
  402    HB   ILE  58           HB       ILE  58   2.528   1.905   4.153
  403   HG12  ILE  58          2HG1      ILE  58   4.753  -0.129   4.436
  404   HG13  ILE  58          1HG1      ILE  58   3.184  -0.255   5.226
  405   HG21  ILE  58          1HG2      ILE  58   4.015   1.895   2.247
  406   HG22  ILE  58          2HG2      ILE  58   5.423   1.939   3.304
  407   HG23  ILE  58          3HG2      ILE  58   4.333   3.323   3.231
  408   HD11  ILE  58          1HD1      ILE  58   3.838  -1.338   2.818
  409   HD12  ILE  58          2HD1      ILE  58   3.017   0.149   2.343
  410   HD13  ILE  58          3HD1      ILE  58   2.199  -1.018   3.381
  411    HA   PRO  59           HA       PRO  59   2.402   5.735   7.396
  412    HB2  PRO  59           2HB      PRO  59   4.516   7.358   7.998
  413    HB3  PRO  59           1HB      PRO  59   3.863   6.139   9.096
  414    HG2  PRO  59           2HG      PRO  59   6.238   5.970   7.280
  415    HG3  PRO  59           1HG      PRO  59   6.067   5.411   8.955
  416    HD2  PRO  59           2HD      PRO  59   5.905   3.714   6.874
  417    HD3  PRO  59           1HD      PRO  59   4.914   3.500   8.332
  418    H    MET  60           H        MET  60   4.511   5.486   4.689
  419    HA   MET  60           HA       MET  60   4.043   8.237   3.846
  420    HB2  MET  60           2HB      MET  60   5.468   5.918   2.523
  421    HB3  MET  60           1HB      MET  60   5.327   7.525   1.825
  422    HG2  MET  60           2HG      MET  60   6.509   8.421   3.824
  423    HG3  MET  60           1HG      MET  60   6.772   6.759   4.348
  424    HE1  MET  60           1HE      MET  60   7.573   5.022   2.794
  425    HE2  MET  60           2HE      MET  60   9.161   5.216   2.051
  426    HE3  MET  60           3HE      MET  60   7.701   5.422   1.081
  427    H    ARG  61           H        ARG  61   3.106   4.963   3.149
  428    HA   ARG  61           HA       ARG  61   1.360   5.687   0.955
  429    HB2  ARG  61           2HB      ARG  61   1.625   3.058   2.416
  430    HB3  ARG  61           1HB      ARG  61   0.848   3.318   0.859
  431    HG2  ARG  61           2HG      ARG  61   3.772   3.742   1.441
  432    HG3  ARG  61           1HG      ARG  61   3.083   2.337   0.630
  433    HD2  ARG  61           2HD      ARG  61   2.837   5.173  -0.353
  434    HD3  ARG  61           1HD      ARG  61   4.052   4.025  -0.912
  435    HE   ARG  61           HE       ARG  61   1.614   2.787  -1.258
  436   HH11  ARG  61          1HH1      ARG  61   3.181   5.682  -2.398
  437   HH12  ARG  61          2HH1      ARG  61   2.337   5.698  -3.910
  438   HH21  ARG  61          1HH2      ARG  61   0.498   2.798  -3.244
  439   HH22  ARG  61          2HH2      ARG  61   0.815   4.054  -4.393
  440    H    GLY  62           H        GLY  62   1.155   6.095   4.158
  441    HA2  GLY  62           2HA      GLY  62  -0.749   6.968   5.262
  442    HA3  GLY  62           1HA      GLY  62  -1.770   6.151   4.088
  443    H    ILE  63           H        ILE  63   0.628   4.070   5.148
  444    HA   ILE  63           HA       ILE  63  -1.279   2.692   6.878
  445    HB   ILE  63           HB       ILE  63   1.339   1.762   5.685
  446   HG12  ILE  63          2HG1      ILE  63  -1.472   0.971   4.914
  447   HG13  ILE  63          1HG1      ILE  63  -0.563   2.235   4.090
  448   HG21  ILE  63          1HG2      ILE  63  -0.754   0.287   7.266
  449   HG22  ILE  63          2HG2      ILE  63   0.945   0.523   7.678
  450   HG23  ILE  63          3HG2      ILE  63   0.504  -0.510   6.316
  451   HD11  ILE  63          1HD1      ILE  63  -0.578  -0.080   3.050
  452   HD12  ILE  63          2HD1      ILE  63   0.498  -0.552   4.365
  453   HD13  ILE  63          3HD1      ILE  63   0.986   0.713   3.235
  454    H    THR  64           H        THR  64  -1.142   3.525   8.894
  455    HA   THR  64           HA       THR  64   1.441   4.191  10.040
  456    HB   THR  64           HB       THR  64   0.111   4.984  11.978
  457    HG1  THR  64           1HG      THR  64  -2.291   4.910  10.757
  458   HG21  THR  64          1HG2      THR  64   0.540   6.415   9.920
  459   HG22  THR  64          2HG2      THR  64  -0.769   6.907  10.997
  460   HG23  THR  64          3HG2      THR  64  -1.137   6.075   9.485
  461    H    GLU  65           H        GLU  65  -0.725   1.540  10.014
  462    HA   GLU  65           HA       GLU  65   0.535   0.383  12.402
  463    HB2  GLU  65           2HB      GLU  65  -1.940  -0.445  10.867
  464    HB3  GLU  65           1HB      GLU  65  -1.281  -1.322  12.242
  465    HG2  GLU  65           2HG      GLU  65  -1.719   1.497  12.800
  466    HG3  GLU  65           1HG      GLU  65  -3.191   0.644  12.337
  467    HA   PRO  66           HA       PRO  66   3.195  -2.030   9.875
  468    HB2  PRO  66           2HB      PRO  66   2.674  -4.217  11.835
  469    HB3  PRO  66           1HB      PRO  66   4.215  -3.551  11.282
  470    HG2  PRO  66           2HG      PRO  66   3.242  -2.954  13.699
  471    HG3  PRO  66           1HG      PRO  66   4.109  -1.749  12.730
  472    HD2  PRO  66           2HD      PRO  66   1.185  -2.013  13.254
  473    HD3  PRO  66           1HD      PRO  66   2.168  -0.550  13.035
  474    H    GLU  67           H        GLU  67   2.667  -2.936   8.041
  475    HA   GLU  67           HA       GLU  67   0.520  -4.944   7.974
  476    HB2  GLU  67           2HB      GLU  67   1.099  -2.790   5.934
  477    HB3  GLU  67           1HB      GLU  67  -0.064  -4.081   5.711
  478    HG2  GLU  67           2HG      GLU  67  -1.301  -3.251   7.688
  479    HG3  GLU  67           1HG      GLU  67  -0.177  -1.895   7.767
  480    H    ARG  68           H        ARG  68   0.639  -6.304   5.953
  481    HA   ARG  68           HA       ARG  68   3.195  -7.523   5.818
  482    HB2  ARG  68           2HB      ARG  68   2.162  -9.058   4.235
  483    HB3  ARG  68           1HB      ARG  68   1.118  -8.787   5.624
  484    HG2  ARG  68           2HG      ARG  68  -0.109  -7.087   4.223
  485    HG3  ARG  68           1HG      ARG  68   0.818  -7.682   2.844
  486    HD2  ARG  68           2HD      ARG  68  -0.053  -9.957   3.306
  487    HD3  ARG  68           1HD      ARG  68  -1.055  -9.278   4.586
  488    HE   ARG  68           HE       ARG  68  -1.755  -7.815   2.426
  489   HH11  ARG  68          1HH1      ARG  68  -1.534 -11.239   3.017
  490   HH12  ARG  68          2HH1      ARG  68  -2.801 -11.645   1.908
  491   HH21  ARG  68          1HH2      ARG  68  -3.426  -8.336   0.965
  492   HH22  ARG  68          2HH2      ARG  68  -3.881  -9.992   0.744
  493    H    VAL  69           H        VAL  69   4.755  -7.447   4.383
  494    HA   VAL  69           HA       VAL  69   4.448  -6.060   1.826
  495    HB   VAL  69           HB       VAL  69   6.517  -4.772   2.161
  496   HG11  VAL  69          1HG1      VAL  69   5.536  -3.140   3.866
  497   HG12  VAL  69          2HG1      VAL  69   4.188  -4.270   3.982
  498   HG13  VAL  69          3HG1      VAL  69   4.569  -3.511   2.436
  499   HG21  VAL  69          1HG2      VAL  69   7.142  -4.448   4.666
  500   HG22  VAL  69          2HG2      VAL  69   7.760  -5.852   3.793
  501   HG23  VAL  69          3HG2      VAL  69   6.379  -6.024   4.877
  502    H    CYS  70           H        CYS  70   6.787  -6.174   0.742
  503    HA   CYS  70           HA       CYS  70   7.569  -8.986   0.894
  504    HB2  CYS  70           2HB      CYS  70   8.248  -8.863  -1.309
  505    HB3  CYS  70           1HB      CYS  70   6.943  -7.688  -1.303
  506    HG   CYS  70           HG       CYS  70   9.281  -6.898  -2.470
  507    H    ASP  71           H        ASP  71  10.152  -8.818  -0.125
  508    HA   ASP  71           HA       ASP  71  11.522  -7.988   2.273
  509    HB2  ASP  71           2HB      ASP  71  13.533  -8.965   1.231
  510    HB3  ASP  71           1HB      ASP  71  12.173 -10.081   1.203
  511    H    ALA  72           H        ALA  72  11.553  -6.869  -1.105
  512    HA   ALA  72           HA       ALA  72  13.615  -4.966  -0.697
  513    HB1  ALA  72           1HB      ALA  72  12.726  -3.949  -2.825
  514    HB2  ALA  72           2HB      ALA  72  11.484  -5.201  -2.807
  515    HB3  ALA  72           3HB      ALA  72  13.186  -5.648  -2.924
  516    H    CYS  73           H        CYS  73  10.080  -4.661  -0.684
  517    HA   CYS  73           HA       CYS  73   9.995  -1.883  -0.229
  518    HB2  CYS  73           2HB      CYS  73   7.944  -3.938   0.630
  519    HB3  CYS  73           1HB      CYS  73   7.671  -2.217   0.362
  520    HG   CYS  73           HG       CYS  73   7.950  -2.610  -2.180
  521    H    TYR  74           H        TYR  74  10.049  -4.659   1.958
  522    HA   TYR  74           HA       TYR  74   9.643  -3.295   4.362
  523    HB2  TYR  74           2HB      TYR  74   9.679  -5.764   4.176
  524    HB3  TYR  74           1HB      TYR  74  11.411  -5.707   3.864
  525    HD1  TYR  74           1HD      TYR  74   8.797  -5.310   6.413
  526    HD2  TYR  74           2HD      TYR  74  12.983  -5.301   5.653
  527    HE1  TYR  74           1HE      TYR  74   9.231  -5.429   8.831
  528    HE2  TYR  74           2HE      TYR  74  13.429  -5.422   8.068
  529    HH   TYR  74           HH       TYR  74  12.331  -6.100  10.115
  530    H    LEU  75           H        LEU  75  12.543  -3.841   2.451
  531    HA   LEU  75           HA       LEU  75  14.337  -2.622   4.302
  532    HB2  LEU  75           2HB      LEU  75  14.475  -3.644   1.520
  533    HB3  LEU  75           1HB      LEU  75  15.707  -2.501   2.015
  534    HG   LEU  75           HG       LEU  75  15.126  -4.946   3.662
  535   HD11  LEU  75          1HD1      LEU  75  15.726  -5.294   1.096
  536   HD12  LEU  75          2HD1      LEU  75  16.373  -6.329   2.368
  537   HD13  LEU  75          3HD1      LEU  75  17.355  -5.018   1.714
  538   HD21  LEU  75          1HD2      LEU  75  16.813  -4.208   4.901
  539   HD22  LEU  75          2HD2      LEU  75  16.848  -2.744   3.919
  540   HD23  LEU  75          3HD2      LEU  75  17.866  -4.118   3.489
  541    H    ALA  76           H        ALA  76  12.943  -1.476   1.217
  542    HA   ALA  76           HA       ALA  76  14.168   0.983   1.104
  543    HB1  ALA  76           1HB      ALA  76  11.284   0.658   0.329
  544    HB2  ALA  76           2HB      ALA  76  12.579  -0.109  -0.589
  545    HB3  ALA  76           3HB      ALA  76  12.527   1.647  -0.437
  546    H    LEU  77           H        LEU  77  11.105   0.197   2.739
  547    HA   LEU  77           HA       LEU  77  10.729   2.810   3.790
  548    HB2  LEU  77           2HB      LEU  77   9.718   0.138   4.786
  549    HB3  LEU  77           1HB      LEU  77   9.167   1.693   5.373
  550    HG   LEU  77           HG       LEU  77   8.896   0.857   2.488
  551   HD11  LEU  77          1HD1      LEU  77   7.671  -0.756   3.765
  552   HD12  LEU  77          2HD1      LEU  77   6.523   0.379   3.056
  553   HD13  LEU  77          3HD1      LEU  77   6.953   0.507   4.763
  554   HD21  LEU  77          1HD2      LEU  77   7.168   2.612   2.459
  555   HD22  LEU  77          2HD2      LEU  77   8.759   3.252   2.880
  556   HD23  LEU  77          3HD2      LEU  77   7.551   2.997   4.139
  557    H    ARG  78           H        ARG  78  12.210  -0.140   4.931
  558    HA   ARG  78           HA       ARG  78  12.926   0.550   7.521
  559    HB2  ARG  78           2HB      ARG  78  13.040  -1.712   6.620
  560    HB3  ARG  78           1HB      ARG  78  14.335  -1.235   5.535
  561    HG2  ARG  78           2HG      ARG  78  15.708  -0.707   7.563
  562    HG3  ARG  78           1HG      ARG  78  14.426  -1.450   8.520
  563    HD2  ARG  78           2HD      ARG  78  14.692  -3.523   7.199
  564    HD3  ARG  78           1HD      ARG  78  16.049  -2.776   6.358
  565    HE   ARG  78           HE       ARG  78  16.541  -2.645   9.107
  566   HH11  ARG  78          1HH1      ARG  78  16.249  -5.014   6.573
  567   HH12  ARG  78          2HH1      ARG  78  17.325  -6.143   7.325
  568   HH21  ARG  78          1HH2      ARG  78  17.963  -4.125  10.109
  569   HH22  ARG  78          2HH2      ARG  78  18.299  -5.638   9.336
  570    H    SER  79           H        SER  79  14.213   1.669   4.515
  571    HA   SER  79           HA       SER  79  16.862   2.175   5.092
  572    HB2  SER  79           2HB      SER  79  14.999   3.995   3.551
  573    HB3  SER  79           1HB      SER  79  16.756   3.942   3.418
  574    HG   SER  79           HG       SER  79  16.335   1.611   2.862
  575    H    SER  80           H        SER  80  14.004   3.980   6.085
  576    HA   SER  80           HA       SER  80  15.710   5.487   7.940
  577    HB2  SER  80           2HB      SER  80  15.177   6.947   6.010
  578    HB3  SER  80           1HB      SER  80  13.458   6.707   6.323
  579    HG   SER  80           HG       SER  80  15.148   8.443   7.466
  580    H    ASN  81           H        ASN  81  15.055   5.203   9.955
  581    HA   ASN  81           HA       ASN  81  12.703   3.829  10.652
  582    HB2  ASN  81           2HB      ASN  81  14.772   3.937  12.045
  583    HB3  ASN  81           1HB      ASN  81  14.380   5.610  12.431
  584   HD21  ASN  81          1HD2      ASN  81  13.083   2.327  12.586
  585   HD22  ASN  81          2HD2      ASN  81  12.191   2.560  14.046
  586    H    MET  82           H        MET  82  13.487   7.253  10.501
  587    HA   MET  82           HA       MET  82  10.868   7.998  11.529
  588    HB2  MET  82           2HB      MET  82  13.229   9.658  10.632
  589    HB3  MET  82           1HB      MET  82  11.728  10.328  11.257
  590    HG2  MET  82           2HG      MET  82  12.113   9.090  13.367
  591    HG3  MET  82           1HG      MET  82  13.673   8.572  12.731
  592    HE1  MET  82           1HE      MET  82  15.676  11.867  12.467
  593    HE2  MET  82           2HE      MET  82  14.607  11.347  11.164
  594    HE3  MET  82           3HE      MET  82  15.565  10.157  12.047
  595    H    ALA  83           H        ALA  83   9.203   8.727  10.334
  596    HA   ALA  83           HA       ALA  83   9.149   8.241   7.548
  597    HB1  ALA  83           1HB      ALA  83   6.956   8.313   7.888
  598    HB2  ALA  83           2HB      ALA  83   7.042  10.014   8.347
  599    HB3  ALA  83           3HB      ALA  83   7.269   8.759   9.565
  600    H    GLY  84           H        GLY  84   9.079   9.654   5.801
  601    HA2  GLY  84           2HA      GLY  84   8.856  12.118   5.225
  602    HA3  GLY  84           1HA      GLY  84  10.168  12.338   6.372
  Start of MODEL    9
    1    H1   GLY   1           1HT      GLY   1  17.953  -1.424 -11.354
    2    H2   GLY   1           2HT      GLY   1  17.126  -1.747  -9.914
    3    H3   GLY   1           3HT      GLY   1  16.914  -2.756 -11.256
    4    HA2  GLY   1           1HA      GLY   1  18.708  -3.098  -9.195
    5    HA3  GLY   1           2HA      GLY   1  18.624  -4.019 -10.689
    6    HA   PRO   2           HA       PRO   2  22.796  -2.123 -10.673
    7    HB2  PRO   2           2HB      PRO   2  24.055  -4.226 -11.803
    8    HB3  PRO   2           1HB      PRO   2  23.686  -4.165 -10.075
    9    HG2  PRO   2           2HG      PRO   2  22.224  -5.575 -12.276
   10    HG3  PRO   2           1HG      PRO   2  22.629  -6.158 -10.650
   11    HD2  PRO   2           2HD      PRO   2  20.170  -5.202 -11.315
   12    HD3  PRO   2           1HD      PRO   2  20.851  -5.070  -9.682
   13    H    LEU   3           H        LEU   3  20.562  -3.024 -13.009
   14    HA   LEU   3           HA       LEU   3  22.009  -2.875 -15.398
   15    HB2  LEU   3           2HB      LEU   3  19.160  -2.006 -14.904
   16    HB3  LEU   3           1HB      LEU   3  19.865  -2.395 -16.462
   17    HG   LEU   3           HG       LEU   3  19.357  -4.309 -14.187
   18   HD11  LEU   3          1HD1      LEU   3  17.916  -5.393 -15.950
   19   HD12  LEU   3          2HD1      LEU   3  18.110  -3.914 -16.892
   20   HD13  LEU   3          3HD1      LEU   3  17.332  -3.857 -15.310
   21   HD21  LEU   3          1HD2      LEU   3  20.913  -4.598 -16.723
   22   HD22  LEU   3          2HD2      LEU   3  20.057  -5.982 -16.042
   23   HD23  LEU   3          3HD2      LEU   3  21.303  -5.163 -15.099
   24    H    GLY   4           H        GLY   4  20.721  -0.375 -13.301
   25    HA2  GLY   4           2HA      GLY   4  21.547   1.822 -13.178
   26    HA3  GLY   4           1HA      GLY   4  22.301   1.603 -14.749
   27    H    SER   5           H        SER   5  19.081   0.555 -14.681
   28    HA   SER   5           HA       SER   5  18.214   3.079 -15.929
   29    HB2  SER   5           2HB      SER   5  18.331   1.222 -17.533
   30    HB3  SER   5           1HB      SER   5  17.259   0.265 -16.512
   31    HG   SER   5           HG       SER   5  16.298   1.484 -18.343
   32    H    MET   6           H        MET   6  16.184   3.893 -15.438
   33    HA   MET   6           HA       MET   6  15.174   3.146 -12.844
   34    HB2  MET   6           2HB      MET   6  15.368   5.515 -13.595
   35    HB3  MET   6           1HB      MET   6  14.100   5.209 -14.776
   36    HG2  MET   6           2HG      MET   6  12.588   4.603 -12.902
   37    HG3  MET   6           1HG      MET   6  13.854   5.095 -11.781
   38    HE1  MET   6           1HE      MET   6  15.114   7.641 -13.210
   39    HE2  MET   6           2HE      MET   6  14.711   7.557 -11.495
   40    HE3  MET   6           3HE      MET   6  14.155   8.920 -12.465
   41    H    GLY   7           H        GLY   7  13.560   1.805 -12.433
   42    HA2  GLY   7           2HA      GLY   7  12.066   0.658 -14.653
   43    HA3  GLY   7           1HA      GLY   7  12.087   0.073 -12.997
   44    H    GLU   8           H        GLU   8   9.721  -0.083 -13.617
   45    HA   GLU   8           HA       GLU   8   8.249   2.398 -13.615
   46    HB2  GLU   8           2HB      GLU   8   7.330  -0.479 -13.534
   47    HB3  GLU   8           1HB      GLU   8   6.246   0.902 -13.620
   48    HG2  GLU   8           2HG      GLU   8   7.297   1.561 -15.746
   49    HG3  GLU   8           1HG      GLU   8   8.307   0.119 -15.669
   50    H    LYS   9           H        LYS   9   9.855   1.037 -11.212
   51    HA   LYS   9           HA       LYS   9   8.006   0.719  -9.122
   52    HB2  LYS   9           2HB      LYS   9  10.886   1.647  -9.044
   53    HB3  LYS   9           1HB      LYS   9   9.947   1.206  -7.624
   54    HG2  LYS   9           2HG      LYS   9   9.673  -1.064  -8.546
   55    HG3  LYS   9           1HG      LYS   9  10.702  -0.610  -9.905
   56    HD2  LYS   9           2HD      LYS   9  12.504  -0.067  -8.277
   57    HD3  LYS   9           1HD      LYS   9  11.472  -0.695  -6.991
   58    HE2  LYS   9           2HE      LYS   9  12.019  -2.801  -7.471
   59    HE3  LYS   9           1HE      LYS   9  11.689  -2.565  -9.186
   60    HZ1  LYS   9           1HZ      LYS   9  13.895  -1.595  -9.433
   61    HZ2  LYS   9           2HZ      LYS   9  13.991  -3.169  -8.819
   62    HZ3  LYS   9           3HZ      LYS   9  14.211  -1.845  -7.790
   63    H    GLN  10           H        GLN  10   8.903   3.425 -10.905
   64    HA   GLN  10           HA       GLN  10   8.907   5.588  -9.252
   65    HB2  GLN  10           2HB      GLN  10   9.206   5.771 -11.644
   66    HB3  GLN  10           1HB      GLN  10   7.553   5.247 -11.933
   67    HG2  GLN  10           2HG      GLN  10   6.780   7.303 -10.749
   68    HG3  GLN  10           1HG      GLN  10   8.460   7.836 -10.698
   69   HE21  GLN  10          1HE2      GLN  10   8.941   9.228 -12.227
   70   HE22  GLN  10          2HE2      GLN  10   8.273   9.273 -13.820
   71    H    SER  11           H        SER  11   6.154   3.614 -10.187
   72    HA   SER  11           HA       SER  11   4.413   5.310  -8.523
   73    HB2  SER  11           2HB      SER  11   2.525   4.382  -9.745
   74    HB3  SER  11           1HB      SER  11   3.706   5.013 -10.892
   75    HG   SER  11           HG       SER  11   2.967   2.954 -11.516
   76    H    LYS  12           H        LYS  12   3.041   4.336  -6.984
   77    HA   LYS  12           HA       LYS  12   3.717   1.555  -6.290
   78    HB2  LYS  12           2HB      LYS  12   3.398   3.896  -4.407
   79    HB3  LYS  12           1HB      LYS  12   3.538   2.220  -3.893
   80    HG2  LYS  12           2HG      LYS  12   5.752   2.108  -4.973
   81    HG3  LYS  12           1HG      LYS  12   5.611   3.820  -5.377
   82    HD2  LYS  12           2HD      LYS  12   5.384   4.317  -2.954
   83    HD3  LYS  12           1HD      LYS  12   5.667   2.609  -2.613
   84    HE2  LYS  12           2HE      LYS  12   7.812   3.282  -2.429
   85    HE3  LYS  12           1HE      LYS  12   7.788   3.127  -4.185
   86    HZ1  LYS  12           1HZ      LYS  12   6.871   5.631  -3.811
   87    HZ2  LYS  12           2HZ      LYS  12   8.480   5.234  -4.153
   88    HZ3  LYS  12           3HZ      LYS  12   7.994   5.491  -2.553
   89    H    GLY  13           H        GLY  13   2.099   0.340  -5.235
   90    HA2  GLY  13           2HA      GLY  13  -0.086   0.043  -4.342
   91    HA3  GLY  13           1HA      GLY  13  -0.582   1.532  -5.131
   92    H    TYR  14           H        TYR  14   1.143   0.038  -7.436
   93    HA   TYR  14           HA       TYR  14  -1.232  -0.860  -8.798
   94    HB2  TYR  14           2HB      TYR  14   0.541   0.343 -10.001
   95    HB3  TYR  14           1HB      TYR  14   1.659  -0.975  -9.671
   96    HD1  TYR  14           1HD      TYR  14  -1.443  -0.075 -11.484
   97    HD2  TYR  14           2HD      TYR  14   1.698  -2.910 -11.033
   98    HE1  TYR  14           1HE      TYR  14  -2.170  -1.199 -13.549
   99    HE2  TYR  14           2HE      TYR  14   0.980  -4.040 -13.095
  100    HH   TYR  14           HH       TYR  14  -1.999  -3.370 -14.621
  101    H    TRP  15           H        TRP  15  -2.019  -2.845  -8.733
  102    HA   TRP  15           HA       TRP  15  -0.418  -5.013  -7.600
  103    HB2  TRP  15           2HB      TRP  15  -2.550  -6.263  -7.543
  104    HB3  TRP  15           1HB      TRP  15  -2.658  -4.723  -6.696
  105    HD1  TRP  15           HD       TRP  15  -4.059  -6.603  -9.680
  106    HE1  TRP  15           1HE      TRP  15  -6.025  -5.265 -10.671
  107    HE3  TRP  15           3HE      TRP  15  -3.530  -2.277  -7.006
  108    HZ2  TRP  15           2HZ      TRP  15  -7.192  -2.716 -10.359
  109    HZ3  TRP  15           3HZ      TRP  15  -5.113  -0.438  -7.412
  110    HH2  TRP  15           HH       TRP  15  -6.905  -0.656  -9.055
  111    H    GLN  16           H        GLN  16   0.662  -6.359  -8.865
  112    HA   GLN  16           HA       GLN  16   0.115  -6.515 -11.713
  113    HB2  GLN  16           2HB      GLN  16   2.449  -6.464 -10.842
  114    HB3  GLN  16           1HB      GLN  16   2.157  -7.997 -10.033
  115    HG2  GLN  16           2HG      GLN  16   1.781  -9.064 -12.205
  116    HG3  GLN  16           1HG      GLN  16   2.100  -7.526 -13.007
  117   HE21  GLN  16          1HE2      GLN  16   3.611  -9.520 -13.814
  118   HE22  GLN  16          2HE2      GLN  16   5.212  -9.423 -13.174
  119    H    GLU  17           H        GLU  17  -1.040  -7.960 -12.691
  120    HA   GLU  17           HA       GLU  17  -2.723  -9.709 -11.365
  121    HB2  GLU  17           2HB      GLU  17  -1.861  -9.716 -14.257
  122    HB3  GLU  17           1HB      GLU  17  -3.221 -10.631 -13.618
  123    HG2  GLU  17           2HG      GLU  17  -4.278  -8.531 -12.907
  124    HG3  GLU  17           1HG      GLU  17  -2.931  -7.635 -13.607
  125    H    ASP  18           H        ASP  18  -2.908 -11.968 -11.378
  126    HA   ASP  18           HA       ASP  18  -0.713 -13.433 -10.492
  127    HB2  ASP  18           2HB      ASP  18  -3.205 -14.484 -11.837
  128    HB3  ASP  18           1HB      ASP  18  -2.122 -15.397 -10.793
  129    H    GLU  19           H        GLU  19  -2.200 -13.374 -13.713
  130    HA   GLU  19           HA       GLU  19  -0.494 -15.305 -14.854
  131    HB2  GLU  19           2HB      GLU  19  -2.164 -13.141 -16.121
  132    HB3  GLU  19           1HB      GLU  19  -1.327 -14.387 -17.031
  133    HG2  GLU  19           2HG      GLU  19  -2.626 -16.101 -15.837
  134    HG3  GLU  19           1HG      GLU  19  -3.497 -14.822 -14.992
  135    H    ASP  20           H        ASP  20  -0.324 -11.769 -14.814
  136    HA   ASP  20           HA       ASP  20   1.890 -11.587 -16.560
  137    HB2  ASP  20           2HB      ASP  20   0.855  -9.678 -14.456
  138    HB3  ASP  20           1HB      ASP  20   2.156  -9.285 -15.576
  139    H    ALA  21           H        ALA  21   1.560 -12.060 -13.138
  140    HA   ALA  21           HA       ALA  21   4.495 -12.180 -12.864
  141    HB1  ALA  21           1HB      ALA  21   3.558 -12.126 -10.300
  142    HB2  ALA  21           2HB      ALA  21   2.392 -11.104 -11.140
  143    HB3  ALA  21           3HB      ALA  21   4.113 -10.721 -11.207
  144    HA   PRO  22           HA       PRO  22   2.998 -16.536 -12.407
  145    HB2  PRO  22           2HB      PRO  22   4.815 -17.663 -14.023
  146    HB3  PRO  22           1HB      PRO  22   3.374 -16.868 -14.664
  147    HG2  PRO  22           2HG      PRO  22   6.166 -15.805 -14.430
  148    HG3  PRO  22           1HG      PRO  22   5.052 -15.714 -15.808
  149    HD2  PRO  22           2HD      PRO  22   5.414 -13.661 -14.059
  150    HD3  PRO  22           1HD      PRO  22   3.879 -13.950 -14.903
  151    H    ALA  23           H        ALA  23   5.893 -14.837 -11.832
  152    HA   ALA  23           HA       ALA  23   6.749 -16.901  -9.921
  153    HB1  ALA  23           1HB      ALA  23   8.975 -15.433 -11.107
  154    HB2  ALA  23           2HB      ALA  23   8.108 -16.443 -12.265
  155    HB3  ALA  23           3HB      ALA  23   8.789 -17.161 -10.806
  156    H    CYS  24           H        CYS  24   8.001 -16.059  -8.122
  157    HA   CYS  24           HA       CYS  24   6.963 -13.710  -7.060
  158    HB2  CYS  24           2HB      CYS  24   8.109 -15.727  -5.912
  159    HB3  CYS  24           1HB      CYS  24   9.604 -14.838  -6.180
  160    HG   CYS  24           HG       CYS  24   7.292 -13.668  -4.460
  161    H    ASN  25           H        ASN  25   7.394 -11.666  -7.383
  162    HA   ASN  25           HA       ASN  25   9.291 -10.719  -9.214
  163    HB2  ASN  25           2HB      ASN  25   7.735  -9.314  -7.037
  164    HB3  ASN  25           1HB      ASN  25   8.741  -8.463  -8.205
  165   HD21  ASN  25          1HD2      ASN  25   8.209  -8.795 -10.497
  166   HD22  ASN  25          2HD2      ASN  25   6.551  -9.005 -10.934
  167    H    GLY  26           H        GLY  26   9.488 -11.334  -5.793
  168    HA2  GLY  26           2HA      GLY  26  11.926  -9.795  -5.493
  169    HA3  GLY  26           1HA      GLY  26  11.103 -10.696  -4.235
  170    H    CYS  27           H        CYS  27  11.108 -13.259  -5.019
  171    HA   CYS  27           HA       CYS  27  13.982 -13.818  -5.199
  172    HB2  CYS  27           2HB      CYS  27  13.524 -15.917  -4.089
  173    HB3  CYS  27           1HB      CYS  27  12.787 -14.601  -3.180
  174    HG   CYS  27           HG       CYS  27  10.906 -16.235  -3.245
  175    H    GLY  28           H        GLY  28  11.357 -13.880  -7.256
  176    HA2  GLY  28           2HA      GLY  28  11.182 -14.739  -9.375
  177    HA3  GLY  28           1HA      GLY  28  12.817 -15.353  -9.194
  178    H    CYS  29           H        CYS  29  10.886 -16.488  -6.676
  179    HA   CYS  29           HA       CYS  29  11.001 -19.155  -7.671
  180    HB2  CYS  29           2HB      CYS  29  10.081 -19.841  -5.620
  181    HB3  CYS  29           1HB      CYS  29  11.027 -18.412  -5.214
  182    HG   CYS  29           HG       CYS  29   8.128 -17.702  -5.668
  183    H    VAL  30           H        VAL  30   9.374 -20.492  -8.410
  184    HA   VAL  30           HA       VAL  30   7.239 -19.126  -9.783
  185    HB   VAL  30           HB       VAL  30   7.283 -22.082  -9.728
  186   HG11  VAL  30          1HG1      VAL  30   5.779 -21.480 -11.282
  187   HG12  VAL  30          2HG1      VAL  30   7.201 -21.325 -12.314
  188   HG13  VAL  30          3HG1      VAL  30   6.516 -19.898 -11.536
  189   HG21  VAL  30          1HG2      VAL  30   9.531 -20.399 -10.750
  190   HG22  VAL  30          2HG2      VAL  30   9.092 -21.886 -11.591
  191   HG23  VAL  30          3HG2      VAL  30   9.582 -21.943  -9.898
  192    H    PHE  31           H        PHE  31   5.106 -19.171  -9.372
  193    HA   PHE  31           HA       PHE  31   4.254 -20.085  -6.759
  194    HB2  PHE  31           2HB      PHE  31   2.715 -18.688  -8.961
  195    HB3  PHE  31           1HB      PHE  31   2.089 -19.031  -7.351
  196    HD1  PHE  31           2HD      PHE  31   3.233 -17.965  -5.367
  197    HD2  PHE  31           1HD      PHE  31   3.970 -16.767  -9.384
  198    HE1  PHE  31           2HE      PHE  31   4.154 -15.831  -4.558
  199    HE2  PHE  31           1HE      PHE  31   4.895 -14.632  -8.581
  200    HZ   PHE  31           HZ       PHE  31   4.985 -14.163  -6.165
  201    H    THR  32           H        THR  32   3.050 -21.787  -6.319
  202    HA   THR  32           HA       THR  32   1.970 -23.385  -8.542
  203    HB   THR  32           HB       THR  32   2.712 -25.419  -7.556
  204    HG1  THR  32           1HG      THR  32   3.173 -25.603  -5.517
  205   HG21  THR  32          1HG2      THR  32   5.054 -25.296  -7.617
  206   HG22  THR  32          2HG2      THR  32   5.059 -23.604  -7.124
  207   HG23  THR  32          3HG2      THR  32   4.479 -24.052  -8.728
  208    H    THR  33           H        THR  33   0.397 -25.094  -7.671
  209    HA   THR  33           HA       THR  33  -1.827 -23.885  -6.598
  210    HB   THR  33           HB       THR  33  -1.110 -26.800  -6.268
  211    HG1  THR  33           1HG      THR  33  -1.453 -27.021  -8.320
  212   HG21  THR  33          1HG2      THR  33  -3.131 -26.065  -5.046
  213   HG22  THR  33          2HG2      THR  33  -3.461 -27.234  -6.325
  214   HG23  THR  33          3HG2      THR  33  -3.814 -25.525  -6.580
  215    H    THR  34           H        THR  34   0.694 -25.685  -4.827
  216    HA   THR  34           HA       THR  34  -0.617 -25.449  -2.333
  217    HB   THR  34           HB       THR  34   2.335 -25.852  -2.895
  218    HG1  THR  34           1HG      THR  34   0.200 -27.670  -2.517
  219   HG21  THR  34          1HG2      THR  34   1.405 -25.203  -0.486
  220   HG22  THR  34          2HG2      THR  34   2.730 -26.340  -0.734
  221   HG23  THR  34          3HG2      THR  34   1.096 -26.939  -0.452
  222    H    VAL  35           H        VAL  35   1.664 -23.358  -4.041
  223    HA   VAL  35           HA       VAL  35   1.829 -21.580  -1.745
  224    HB   VAL  35           HB       VAL  35   3.015 -21.358  -4.506
  225   HG11  VAL  35          1HG1      VAL  35   2.576 -19.149  -3.641
  226   HG12  VAL  35          2HG1      VAL  35   4.308 -19.470  -3.585
  227   HG13  VAL  35          3HG1      VAL  35   3.346 -19.562  -2.109
  228   HG21  VAL  35          1HG2      VAL  35   5.011 -21.421  -2.553
  229   HG22  VAL  35          2HG2      VAL  35   4.601 -22.693  -3.707
  230   HG23  VAL  35          3HG2      VAL  35   3.866 -22.687  -2.104
  231    H    ARG  36           H        ARG  36   0.235 -20.271  -1.385
  232    HA   ARG  36           HA       ARG  36  -1.646 -19.408  -3.372
  233    HB2  ARG  36           2HB      ARG  36  -1.193 -18.476  -0.528
  234    HB3  ARG  36           1HB      ARG  36  -2.559 -18.012  -1.536
  235    HG2  ARG  36           2HG      ARG  36  -3.254 -20.357  -1.662
  236    HG3  ARG  36           1HG      ARG  36  -1.900 -20.805  -0.621
  237    HD2  ARG  36           2HD      ARG  36  -2.838 -19.240   1.101
  238    HD3  ARG  36           1HD      ARG  36  -4.262 -19.071   0.075
  239    HE   ARG  36           HE       ARG  36  -3.724 -21.802   0.571
  240   HH11  ARG  36          1HH1      ARG  36  -4.956 -18.933   2.102
  241   HH12  ARG  36          2HH1      ARG  36  -5.966 -19.798   3.212
  242   HH21  ARG  36          1HH2      ARG  36  -5.049 -22.959   2.023
  243   HH22  ARG  36          2HH2      ARG  36  -6.027 -22.091   3.160
  244    H    ARG  37           H        ARG  37  -1.896 -17.380  -4.260
  245    HA   ARG  37           HA       ARG  37   0.563 -15.885  -4.549
  246    HB2  ARG  37           2HB      ARG  37  -0.958 -16.421  -6.471
  247    HB3  ARG  37           1HB      ARG  37  -2.133 -15.308  -5.782
  248    HG2  ARG  37           2HG      ARG  37  -0.470 -13.493  -5.979
  249    HG3  ARG  37           1HG      ARG  37   0.632 -14.626  -6.762
  250    HD2  ARG  37           2HD      ARG  37  -2.076 -13.753  -7.746
  251    HD3  ARG  37           1HD      ARG  37  -0.513 -13.332  -8.444
  252    HE   ARG  37           HE       ARG  37  -1.967 -15.794  -8.791
  253   HH11  ARG  37          1HH1      ARG  37   1.140 -14.238  -8.950
  254   HH12  ARG  37          2HH1      ARG  37   1.825 -15.421 -10.011
  255   HH21  ARG  37          1HH2      ARG  37  -1.080 -17.354 -10.196
  256   HH22  ARG  37          2HH2      ARG  37   0.564 -17.195 -10.718
  257    H    HIS  38           H        HIS  38   0.946 -13.808  -3.886
  258    HA   HIS  38           HA       HIS  38  -1.160 -12.397  -2.449
  259    HB2  HIS  38           2HB      HIS  38   1.520 -13.092  -1.233
  260    HB3  HIS  38           1HB      HIS  38   0.369 -11.958  -0.536
  261    HD1  HIS  38           1HD      HIS  38  -2.062 -13.094   0.040
  262    HD2  HIS  38           2HD      HIS  38   1.185 -15.651  -0.403
  263    HE1  HIS  38           1HE      HIS  38  -2.742 -15.245   1.153
  264    HE2  HIS  38           2HE      HIS  38  -0.774 -16.789   0.843
  265    H    HIS  39           H        HIS  39  -0.446 -10.181  -1.823
  266    HA   HIS  39           HA       HIS  39   1.554  -9.109  -3.703
  267    HB2  HIS  39           2HB      HIS  39  -1.202  -7.994  -3.173
  268    HB3  HIS  39           1HB      HIS  39   0.050  -7.163  -4.092
  269    HD1  HIS  39           1HD      HIS  39  -2.448  -9.911  -4.325
  270    HD2  HIS  39           2HD      HIS  39   0.559  -8.234  -6.655
  271    HE1  HIS  39           1HE      HIS  39  -2.807 -10.821  -6.643
  272    HE2  HIS  39           2HE      HIS  39  -1.008  -9.750  -8.046
  273    H    CYS  40           H        CYS  40   2.641  -7.224  -3.080
  274    HA   CYS  40           HA       CYS  40   2.730  -6.775  -0.201
  275    HB2  CYS  40           2HB      CYS  40   4.862  -7.112  -1.294
  276    HB3  CYS  40           1HB      CYS  40   4.484  -5.890  -2.504
  277    HG   CYS  40           HG       CYS  40   6.114  -5.011  -0.566
  278    H    ARG  41           H        ARG  41   2.116  -4.909   0.753
  279    HA   ARG  41           HA       ARG  41   0.270  -3.247  -0.608
  280    HB2  ARG  41           2HB      ARG  41   0.134  -3.879   1.789
  281    HB3  ARG  41           1HB      ARG  41   1.513  -2.839   2.111
  282    HG2  ARG  41           2HG      ARG  41  -0.462  -1.662   2.711
  283    HG3  ARG  41           1HG      ARG  41   0.185  -0.921   1.246
  284    HD2  ARG  41           2HD      ARG  41  -1.424  -2.207  -0.091
  285    HD3  ARG  41           1HD      ARG  41  -2.080  -2.909   1.386
  286    HE   ARG  41           HE       ARG  41  -2.320  -0.254   1.817
  287   HH11  ARG  41          1HH1      ARG  41  -3.245  -2.326  -0.822
  288   HH12  ARG  41          2HH1      ARG  41  -4.626  -1.377  -1.255
  289   HH21  ARG  41          1HH2      ARG  41  -4.136   1.006   1.257
  290   HH22  ARG  41          2HH2      ARG  41  -5.132   0.521  -0.074
  291    H    ASN  42           H        ASN  42   3.606  -3.114  -0.578
  292    HA   ASN  42           HA       ASN  42   3.686  -0.195  -0.803
  293    HB2  ASN  42           2HB      ASN  42   5.815  -2.277  -0.369
  294    HB3  ASN  42           1HB      ASN  42   6.217  -0.628  -0.823
  295   HD21  ASN  42          1HD2      ASN  42   6.124  -2.584   1.698
  296   HD22  ASN  42          2HD2      ASN  42   5.730  -1.476   2.963
  297    H    CYS  43           H        CYS  43   5.433  -2.824  -2.469
  298    HA   CYS  43           HA       CYS  43   5.678  -1.220  -4.824
  299    HB2  CYS  43           2HB      CYS  43   6.833  -3.161  -5.781
  300    HB3  CYS  43           1HB      CYS  43   7.457  -2.750  -4.189
  301    HG   CYS  43           HG       CYS  43   5.438  -4.917  -3.871
  302    H    GLY  44           H        GLY  44   3.401  -3.571  -3.730
  303    HA2  GLY  44           2HA      GLY  44   1.385  -4.188  -4.675
  304    HA3  GLY  44           1HA      GLY  44   1.717  -3.067  -5.985
  305    H    TYR  45           H        TYR  45   4.090  -5.450  -5.266
  306    HA   TYR  45           HA       TYR  45   3.468  -6.809  -7.786
  307    HB2  TYR  45           2HB      TYR  45   5.967  -6.939  -6.089
  308    HB3  TYR  45           1HB      TYR  45   5.745  -7.721  -7.645
  309    HD1  TYR  45           2HD      TYR  45   4.449  -5.566  -9.204
  310    HD2  TYR  45           1HD      TYR  45   7.679  -5.403  -6.439
  311    HE1  TYR  45           2HE      TYR  45   5.311  -3.560 -10.337
  312    HE2  TYR  45           1HE      TYR  45   8.549  -3.400  -7.564
  313    HH   TYR  45           HH       TYR  45   6.816  -1.536  -9.610
  314    H    VAL  46           H        VAL  46   3.755  -9.149  -7.858
  315    HA   VAL  46           HA       VAL  46   2.298 -10.347  -5.693
  316    HB   VAL  46           HB       VAL  46   3.420 -11.591  -8.206
  317   HG11  VAL  46          1HG1      VAL  46   3.146 -13.148  -6.213
  318   HG12  VAL  46          2HG1      VAL  46   2.283 -13.591  -7.683
  319   HG13  VAL  46          3HG1      VAL  46   1.415 -12.840  -6.346
  320   HG21  VAL  46          1HG2      VAL  46   0.513 -11.266  -7.642
  321   HG22  VAL  46          2HG2      VAL  46   1.368 -11.281  -9.184
  322   HG23  VAL  46          3HG2      VAL  46   1.437  -9.853  -8.152
  323    H    LEU  47           H        LEU  47   3.048 -11.495  -4.042
  324    HA   LEU  47           HA       LEU  47   5.808 -12.508  -4.137
  325    HB2  LEU  47           2HB      LEU  47   4.500 -10.965  -1.896
  326    HB3  LEU  47           1HB      LEU  47   5.949 -11.920  -1.678
  327    HG   LEU  47           HG       LEU  47   6.392  -9.511  -1.900
  328   HD11  LEU  47          1HD1      LEU  47   7.586 -11.617  -3.485
  329   HD12  LEU  47          2HD1      LEU  47   8.345 -10.367  -2.502
  330   HD13  LEU  47          3HD1      LEU  47   7.863 -10.014  -4.162
  331   HD21  LEU  47          1HD2      LEU  47   5.648  -8.228  -3.558
  332   HD22  LEU  47          2HD2      LEU  47   4.501  -9.532  -3.859
  333   HD23  LEU  47          3HD2      LEU  47   5.999  -9.445  -4.786
  334    H    CYS  48           H        CYS  48   6.126 -14.467  -3.159
  335    HA   CYS  48           HA       CYS  48   3.759 -15.999  -2.513
  336    HB2  CYS  48           2HB      CYS  48   5.172 -17.912  -2.457
  337    HB3  CYS  48           1HB      CYS  48   5.806 -16.907  -3.757
  338    HG   CYS  48           HG       CYS  48   7.212 -17.410  -1.049
  339    H    GLY  49           H        GLY  49   4.139 -17.510  -0.385
  340    HA2  GLY  49           2HA      GLY  49   3.791 -15.828   1.793
  341    HA3  GLY  49           1HA      GLY  49   4.223 -17.528   1.913
  342    H    ASP  50           H        ASP  50   6.699 -17.704   0.968
  343    HA   ASP  50           HA       ASP  50   8.317 -16.833   3.048
  344    HB2  ASP  50           2HB      ASP  50   8.969 -17.787   0.271
  345    HB3  ASP  50           1HB      ASP  50  10.227 -17.358   1.422
  346    H    CYS  51           H        CYS  51   7.659 -15.247  -0.003
  347    HA   CYS  51           HA       CYS  51   9.649 -13.199   0.541
  348    HB2  CYS  51           2HB      CYS  51   7.979 -13.951  -1.794
  349    HB3  CYS  51           1HB      CYS  51   8.439 -12.257  -1.654
  350    HG   CYS  51           HG       CYS  51  10.985 -13.450  -1.427
  351    H    SER  52           H        SER  52   6.607 -13.787   1.597
  352    HA   SER  52           HA       SER  52   6.096 -10.936   2.047
  353    HB2  SER  52           2HB      SER  52   3.725 -11.236   1.705
  354    HB3  SER  52           1HB      SER  52   4.561 -11.848   0.277
  355    HG   SER  52           HG       SER  52   4.367 -13.965   1.265
  356    H    ARG  53           H        ARG  53   7.350 -13.136   3.596
  357    HA   ARG  53           HA       ARG  53   5.479 -13.768   5.692
  358    HB2  ARG  53           2HB      ARG  53   8.418 -14.299   5.309
  359    HB3  ARG  53           1HB      ARG  53   7.625 -14.635   6.842
  360    HG2  ARG  53           2HG      ARG  53   6.024 -16.095   5.580
  361    HG3  ARG  53           1HG      ARG  53   7.053 -15.872   4.167
  362    HD2  ARG  53           2HD      ARG  53   8.948 -16.814   5.388
  363    HD3  ARG  53           1HD      ARG  53   7.922 -17.041   6.804
  364    HE   ARG  53           HE       ARG  53   8.071 -18.727   4.508
  365   HH11  ARG  53          1HH1      ARG  53   5.928 -17.559   6.997
  366   HH12  ARG  53          2HH1      ARG  53   4.886 -18.941   6.930
  367   HH21  ARG  53          1HH2      ARG  53   6.702 -20.553   4.414
  368   HH22  ARG  53          2HH2      ARG  53   5.327 -20.643   5.465
  369    H    HIS  54           H        HIS  54   7.624 -11.164   4.985
  370    HA   HIS  54           HA       HIS  54   8.020 -10.385   7.717
  371    HB2  HIS  54           2HB      HIS  54   8.531  -8.951   5.110
  372    HB3  HIS  54           1HB      HIS  54   8.930  -8.275   6.681
  373    HD1  HIS  54           1HD      HIS  54  10.665  -9.871   8.118
  374    HD2  HIS  54           2HD      HIS  54  10.539 -10.370   3.993
  375    HE1  HIS  54           1HE      HIS  54  12.823 -11.009   7.512
  376    HE2  HIS  54           2HE      HIS  54  12.703 -11.348   5.018
  377    H    ARG  55           H        ARG  55   7.414  -8.209   8.470
  378    HA   ARG  55           HA       ARG  55   4.919  -7.184   7.355
  379    HB2  ARG  55           2HB      ARG  55   5.250  -7.939  10.266
  380    HB3  ARG  55           1HB      ARG  55   3.856  -7.114   9.571
  381    HG2  ARG  55           2HG      ARG  55   3.491  -9.085   8.107
  382    HG3  ARG  55           1HG      ARG  55   4.787  -9.910   8.974
  383    HD2  ARG  55           2HD      ARG  55   2.196  -8.893  10.127
  384    HD3  ARG  55           1HD      ARG  55   2.658 -10.578   9.885
  385    HE   ARG  55           HE       ARG  55   4.527  -9.225  11.542
  386   HH11  ARG  55          1HH1      ARG  55   1.363 -10.676  11.535
  387   HH12  ARG  55          2HH1      ARG  55   1.383 -11.038  13.228
  388   HH21  ARG  55          1HH2      ARG  55   4.566  -9.697  13.771
  389   HH22  ARG  55          2HH2      ARG  55   3.204 -10.481  14.501
  390    H    ALA  56           H        ALA  56   4.752  -5.019   7.466
  391    HA   ALA  56           HA       ALA  56   6.284  -3.462   9.369
  392    HB1  ALA  56           1HB      ALA  56   7.475  -2.175   7.556
  393    HB2  ALA  56           2HB      ALA  56   7.045  -3.490   6.462
  394    HB3  ALA  56           3HB      ALA  56   8.065  -3.807   7.865
  395    H    ALA  57           H        ALA  57   5.805  -1.192   9.336
  396    HA   ALA  57           HA       ALA  57   3.152  -0.642   8.281
  397    HB1  ALA  57           1HB      ALA  57   4.950   0.947  10.116
  398    HB2  ALA  57           2HB      ALA  57   3.567  -0.037  10.593
  399    HB3  ALA  57           3HB      ALA  57   3.320   1.424   9.637
  400    H    ILE  58           H        ILE  58   2.732   1.291   7.017
  401    HA   ILE  58           HA       ILE  58   5.088   2.320   5.597
  402    HB   ILE  58           HB       ILE  58   2.490   1.887   4.171
  403   HG12  ILE  58          2HG1      ILE  58   4.694  -0.172   4.425
  404   HG13  ILE  58          1HG1      ILE  58   3.130  -0.274   5.228
  405   HG21  ILE  58          1HG2      ILE  58   5.348   1.864   3.219
  406   HG22  ILE  58          2HG2      ILE  58   4.283   3.267   3.175
  407   HG23  ILE  58          3HG2      ILE  58   3.900   1.837   2.220
  408   HD11  ILE  58          1HD1      ILE  58   3.010   0.099   2.321
  409   HD12  ILE  58          2HD1      ILE  58   2.091  -0.977   3.373
  410   HD13  ILE  58          3HD1      ILE  58   3.717  -1.423   2.861
  411    HA   PRO  59           HA       PRO  59   2.570   5.767   7.375
  412    HB2  PRO  59           2HB      PRO  59   4.725   7.335   7.933
  413    HB3  PRO  59           1HB      PRO  59   4.102   6.102   9.031
  414    HG2  PRO  59           2HG      PRO  59   6.398   5.939   7.115
  415    HG3  PRO  59           1HG      PRO  59   6.294   5.363   8.789
  416    HD2  PRO  59           2HD      PRO  59   6.022   3.694   6.693
  417    HD3  PRO  59           1HD      PRO  59   5.108   3.466   8.198
  418    H    MET  60           H        MET  60   4.660   5.501   4.644
  419    HA   MET  60           HA       MET  60   4.217   8.251   3.804
  420    HB2  MET  60           2HB      MET  60   5.553   5.897   2.449
  421    HB3  MET  60           1HB      MET  60   5.461   7.517   1.773
  422    HG2  MET  60           2HG      MET  60   6.706   8.350   3.756
  423    HG3  MET  60           1HG      MET  60   6.901   6.677   4.277
  424    HE1  MET  60           1HE      MET  60   7.689   8.273   0.348
  425    HE2  MET  60           2HE      MET  60   9.013   9.087   1.181
  426    HE3  MET  60           3HE      MET  60   7.355   9.288   1.751
  427    H    ARG  61           H        ARG  61   3.167   4.999   3.136
  428    HA   ARG  61           HA       ARG  61   1.399   5.766   0.972
  429    HB2  ARG  61           2HB      ARG  61   1.609   3.132   2.431
  430    HB3  ARG  61           1HB      ARG  61   0.820   3.416   0.885
  431    HG2  ARG  61           2HG      ARG  61   3.763   3.740   1.427
  432    HG3  ARG  61           1HG      ARG  61   3.011   2.360   0.623
  433    HD2  ARG  61           2HD      ARG  61   2.858   5.207  -0.350
  434    HD3  ARG  61           1HD      ARG  61   4.015   4.012  -0.934
  435    HE   ARG  61           HE       ARG  61   1.590   2.821  -1.277
  436   HH11  ARG  61          1HH1      ARG  61   3.002   5.841  -2.274
  437   HH12  ARG  61          2HH1      ARG  61   2.074   5.944  -3.732
  438   HH21  ARG  61          1HH2      ARG  61   0.362   2.942  -3.194
  439   HH22  ARG  61          2HH2      ARG  61   0.574   4.293  -4.258
  440    H    GLY  62           H        GLY  62   1.240   6.239   4.157
  441    HA2  GLY  62           2HA      GLY  62  -0.618   7.128   5.301
  442    HA3  GLY  62           1HA      GLY  62  -1.678   6.349   4.135
  443    H    ILE  63           H        ILE  63   0.693   4.214   5.173
  444    HA   ILE  63           HA       ILE  63  -1.234   2.871   6.911
  445    HB   ILE  63           HB       ILE  63   1.349   1.865   5.699
  446   HG12  ILE  63          2HG1      ILE  63  -1.482   1.209   4.877
  447   HG13  ILE  63          1HG1      ILE  63  -0.510   2.447   4.090
  448   HG21  ILE  63          1HG2      ILE  63  -0.826   0.443   7.215
  449   HG22  ILE  63          2HG2      ILE  63   0.868   0.613   7.669
  450   HG23  ILE  63          3HG2      ILE  63   0.426  -0.378   6.278
  451   HD11  ILE  63          1HD1      ILE  63  -0.569   0.241   2.934
  452   HD12  ILE  63          2HD1      ILE  63   0.323  -0.430   4.296
  453   HD13  ILE  63          3HD1      ILE  63   1.046   0.838   3.309
  454    H    THR  64           H        THR  64  -1.025   3.753   8.922
  455    HA   THR  64           HA       THR  64   1.602   4.315  10.013
  456    HB   THR  64           HB       THR  64   0.347   5.161  11.975
  457    HG1  THR  64           1HG      THR  64  -1.729   4.847  12.167
  458   HG21  THR  64          1HG2      THR  64  -1.125   6.403   9.752
  459   HG22  THR  64          2HG2      THR  64   0.636   6.413   9.626
  460   HG23  THR  64          3HG2      THR  64  -0.153   7.136  11.029
  461    H    GLU  65           H        GLU  65  -0.596   1.704  10.025
  462    HA   GLU  65           HA       GLU  65   0.659   0.560  12.424
  463    HB2  GLU  65           2HB      GLU  65  -1.867  -0.141  10.923
  464    HB3  GLU  65           1HB      GLU  65  -1.172  -1.200  12.142
  465    HG2  GLU  65           2HG      GLU  65  -1.378   1.429  13.218
  466    HG3  GLU  65           1HG      GLU  65  -2.923   0.977  12.503
  467    HA   PRO  66           HA       PRO  66   3.234  -1.968   9.925
  468    HB2  PRO  66           2HB      PRO  66   3.179  -4.314  11.433
  469    HB3  PRO  66           1HB      PRO  66   4.267  -2.952  11.710
  470    HG2  PRO  66           2HG      PRO  66   1.711  -3.648  13.083
  471    HG3  PRO  66           1HG      PRO  66   3.196  -2.951  13.756
  472    HD2  PRO  66           2HD      PRO  66   1.008  -1.456  13.282
  473    HD3  PRO  66           1HD      PRO  66   2.649  -0.809  13.068
  474    H    GLU  67           H        GLU  67   2.672  -2.834   8.078
  475    HA   GLU  67           HA       GLU  67   0.464  -4.776   8.003
  476    HB2  GLU  67           2HB      GLU  67   1.157  -2.672   5.942
  477    HB3  GLU  67           1HB      GLU  67  -0.085  -3.896   5.748
  478    HG2  GLU  67           2HG      GLU  67  -0.060  -1.744   7.848
  479    HG3  GLU  67           1HG      GLU  67  -1.024  -1.737   6.372
  480    H    ARG  68           H        ARG  68   0.537  -6.142   5.975
  481    HA   ARG  68           HA       ARG  68   3.052  -7.459   5.859
  482    HB2  ARG  68           2HB      ARG  68   1.968  -8.989   4.319
  483    HB3  ARG  68           1HB      ARG  68   0.921  -8.650   5.691
  484    HG2  ARG  68           2HG      ARG  68  -0.226  -6.938   4.235
  485    HG3  ARG  68           1HG      ARG  68   0.684  -7.614   2.881
  486    HD2  ARG  68           2HD      ARG  68  -0.278  -9.841   3.423
  487    HD3  ARG  68           1HD      ARG  68  -1.272  -9.068   4.656
  488    HE   ARG  68           HE       ARG  68  -1.538  -7.957   2.002
  489   HH11  ARG  68          1HH1      ARG  68  -2.721 -10.281   4.312
  490   HH12  ARG  68          2HH1      ARG  68  -4.274 -10.428   3.560
  491   HH21  ARG  68          1HH2      ARG  68  -3.580  -8.146   1.007
  492   HH22  ARG  68          2HH2      ARG  68  -4.765  -9.211   1.687
  493    H    VAL  69           H        VAL  69   4.608  -7.442   4.425
  494    HA   VAL  69           HA       VAL  69   4.334  -6.094   1.845
  495    HB   VAL  69           HB       VAL  69   6.417  -4.833   2.165
  496   HG11  VAL  69          1HG1      VAL  69   5.462  -3.156   3.831
  497   HG12  VAL  69          2HG1      VAL  69   4.105  -4.271   3.995
  498   HG13  VAL  69          3HG1      VAL  69   4.473  -3.553   2.424
  499   HG21  VAL  69          1HG2      VAL  69   7.108  -4.480   4.620
  500   HG22  VAL  69          2HG2      VAL  69   7.615  -5.971   3.818
  501   HG23  VAL  69          3HG2      VAL  69   6.245  -5.987   4.930
  502    H    CYS  70           H        CYS  70   6.743  -6.238   0.834
  503    HA   CYS  70           HA       CYS  70   7.456  -9.071   1.003
  504    HB2  CYS  70           2HB      CYS  70   8.219  -8.952  -1.188
  505    HB3  CYS  70           1HB      CYS  70   6.866  -7.830  -1.212
  506    HG   CYS  70           HG       CYS  70   8.828  -6.675  -2.401
  507    H    ASP  71           H        ASP  71  10.083  -8.828  -0.047
  508    HA   ASP  71           HA       ASP  71  11.411  -8.013   2.391
  509    HB2  ASP  71           2HB      ASP  71  13.439  -8.989   1.371
  510    HB3  ASP  71           1HB      ASP  71  12.083 -10.111   1.380
  511    H    ALA  72           H        ALA  72  11.454  -6.917  -0.992
  512    HA   ALA  72           HA       ALA  72  13.527  -5.019  -0.592
  513    HB1  ALA  72           1HB      ALA  72  12.719  -4.041  -2.740
  514    HB2  ALA  72           2HB      ALA  72  11.393  -5.202  -2.711
  515    HB3  ALA  72           3HB      ALA  72  13.060  -5.769  -2.814
  516    H    CYS  73           H        CYS  73   9.997  -4.714  -0.619
  517    HA   CYS  73           HA       CYS  73   9.911  -1.933  -0.181
  518    HB2  CYS  73           2HB      CYS  73   7.862  -4.035   0.567
  519    HB3  CYS  73           1HB      CYS  73   7.569  -2.301   0.448
  520    HG   CYS  73           HG       CYS  73   7.539  -2.445  -2.041
  521    H    TYR  74           H        TYR  74   9.959  -4.703   2.012
  522    HA   TYR  74           HA       TYR  74   9.512  -3.318   4.405
  523    HB2  TYR  74           2HB      TYR  74   9.556  -5.787   4.266
  524    HB3  TYR  74           1HB      TYR  74  11.289  -5.733   3.955
  525    HD1  TYR  74           2HD      TYR  74   8.674  -5.232   6.495
  526    HD2  TYR  74           1HD      TYR  74  12.859  -5.344   5.737
  527    HE1  TYR  74           2HE      TYR  74   9.107  -5.294   8.915
  528    HE2  TYR  74           1HE      TYR  74  13.301  -5.408   8.155
  529    HH   TYR  74           HH       TYR  74  10.803  -4.882  10.496
  530    H    LEU  75           H        LEU  75  12.430  -3.879   2.523
  531    HA   LEU  75           HA       LEU  75  14.208  -2.636   4.372
  532    HB2  LEU  75           2HB      LEU  75  14.376  -3.656   1.588
  533    HB3  LEU  75           1HB      LEU  75  15.611  -2.533   2.120
  534    HG   LEU  75           HG       LEU  75  14.969  -4.989   3.724
  535   HD11  LEU  75          1HD1      LEU  75  17.311  -5.266   2.064
  536   HD12  LEU  75          2HD1      LEU  75  15.855  -5.072   1.090
  537   HD13  LEU  75          3HD1      LEU  75  15.951  -6.364   2.285
  538   HD21  LEU  75          1HD2      LEU  75  16.383  -3.018   4.561
  539   HD22  LEU  75          2HD2      LEU  75  17.602  -3.586   3.422
  540   HD23  LEU  75          3HD2      LEU  75  17.052  -4.643   4.720
  541    H    ALA  76           H        ALA  76  12.909  -1.543   1.225
  542    HA   ALA  76           HA       ALA  76  14.112   0.916   1.106
  543    HB1  ALA  76           1HB      ALA  76  12.893   1.048  -0.754
  544    HB2  ALA  76           2HB      ALA  76  11.423   1.249   0.202
  545    HB3  ALA  76           3HB      ALA  76  11.976  -0.369  -0.237
  546    H    LEU  77           H        LEU  77  11.048   0.116   2.707
  547    HA   LEU  77           HA       LEU  77  10.621   2.730   3.745
  548    HB2  LEU  77           2HB      LEU  77   9.633   0.047   4.726
  549    HB3  LEU  77           1HB      LEU  77   9.051   1.595   5.300
  550    HG   LEU  77           HG       LEU  77   8.829   0.684   2.433
  551   HD11  LEU  77          1HD1      LEU  77   6.837   0.527   4.686
  552   HD12  LEU  77          2HD1      LEU  77   7.522  -0.811   3.761
  553   HD13  LEU  77          3HD1      LEU  77   6.433   0.333   2.980
  554   HD21  LEU  77          1HD2      LEU  77   8.717   3.035   2.501
  555   HD22  LEU  77          2HD2      LEU  77   7.752   3.027   3.979
  556   HD23  LEU  77          3HD2      LEU  77   7.038   2.492   2.457
  557    H    ARG  78           H        ARG  78  12.130  -0.200   4.917
  558    HA   ARG  78           HA       ARG  78  12.758   0.496   7.520
  559    HB2  ARG  78           2HB      ARG  78  13.020  -1.754   6.573
  560    HB3  ARG  78           1HB      ARG  78  14.344  -1.185   5.571
  561    HG2  ARG  78           2HG      ARG  78  15.563  -0.614   7.687
  562    HG3  ARG  78           1HG      ARG  78  14.280  -1.461   8.551
  563    HD2  ARG  78           2HD      ARG  78  14.762  -3.490   7.245
  564    HD3  ARG  78           1HD      ARG  78  16.082  -2.641   6.443
  565    HE   ARG  78           HE       ARG  78  17.373  -2.966   8.306
  566   HH11  ARG  78          1HH1      ARG  78  14.037  -3.558   9.089
  567   HH12  ARG  78          2HH1      ARG  78  14.377  -4.163  10.675
  568   HH21  ARG  78          1HH2      ARG  78  17.843  -3.764  10.395
  569   HH22  ARG  78          2HH2      ARG  78  16.546  -4.283  11.418
  570    H    SER  79           H        SER  79  14.046   1.753   4.577
  571    HA   SER  79           HA       SER  79  16.440   2.751   5.933
  572    HB2  SER  79           2HB      SER  79  16.688   1.747   3.673
  573    HB3  SER  79           1HB      SER  79  15.638   3.006   3.024
  574    HG   SER  79           HG       SER  79  17.442   4.300   4.346
  575    H    SER  80           H        SER  80  15.266   4.193   7.311
  576    HA   SER  80           HA       SER  80  14.379   6.632   5.916
  577    HB2  SER  80           2HB      SER  80  13.301   5.508   8.516
  578    HB3  SER  80           1HB      SER  80  12.801   7.025   7.770
  579    HG   SER  80           HG       SER  80  11.562   5.946   6.464
  580    H    ASN  81           H        ASN  81  14.955   8.615   6.830
  581    HA   ASN  81           HA       ASN  81  17.473   8.775   8.004
  582    HB2  ASN  81           2HB      ASN  81  16.250  10.596   6.741
  583    HB3  ASN  81           1HB      ASN  81  15.344  10.906   8.219
  584   HD21  ASN  81          1HD2      ASN  81  16.319  13.054   7.925
  585   HD22  ASN  81          2HD2      ASN  81  17.886  13.339   8.596
  586    H    MET  82           H        MET  82  14.278   8.736   9.479
  587    HA   MET  82           HA       MET  82  15.374   9.192  12.130
  588    HB2  MET  82           2HB      MET  82  12.547   8.601  11.229
  589    HB3  MET  82           1HB      MET  82  13.021   9.004  12.874
  590    HG2  MET  82           2HG      MET  82  13.265  10.779  10.457
  591    HG3  MET  82           1HG      MET  82  12.090  10.934  11.761
  592    HE1  MET  82           1HE      MET  82  13.869  10.328  14.361
  593    HE2  MET  82           2HE      MET  82  12.678  11.621  14.212
  594    HE3  MET  82           3HE      MET  82  14.304  11.983  14.789
  595    H    ALA  83           H        ALA  83  15.841   7.661  13.584
  596    HA   ALA  83           HA       ALA  83  16.089   4.969  12.851
  597    HB1  ALA  83           1HB      ALA  83  17.253   6.316  14.738
  598    HB2  ALA  83           2HB      ALA  83  16.939   4.595  14.973
  599    HB3  ALA  83           3HB      ALA  83  15.885   5.796  15.719
  600    H    GLY  84           H        GLY  84  14.885   3.151  13.274
  601    HA2  GLY  84           2HA      GLY  84  12.937   2.483  14.901
  602    HA3  GLY  84           1HA      GLY  84  12.071   3.651  13.916
  Start of MODEL   10
    1    H1   GLY   1           1HT      GLY   1   7.016   3.425 -25.972
    2    H2   GLY   1           2HT      GLY   1   7.331   2.906 -27.551
    3    H3   GLY   1           3HT      GLY   1   7.930   2.027 -26.236
    4    HA2  GLY   1           1HA      GLY   1   5.126   2.273 -27.149
    5    HA3  GLY   1           2HA      GLY   1   6.089   0.809 -27.009
    6    HA   PRO   2           HA       PRO   2   4.951   2.350 -22.468
    7    HB2  PRO   2           2HB      PRO   2   2.576   3.776 -22.529
    8    HB3  PRO   2           1HB      PRO   2   4.183   4.490 -22.361
    9    HG2  PRO   2           2HG      PRO   2   2.481   4.201 -24.801
   10    HG3  PRO   2           1HG      PRO   2   3.505   5.560 -24.300
   11    HD2  PRO   2           2HD      PRO   2   4.295   3.845 -26.197
   12    HD3  PRO   2           1HD      PRO   2   5.449   4.523 -25.028
   13    H    LEU   3           H        LEU   3   3.667   1.075 -21.186
   14    HA   LEU   3           HA       LEU   3   2.253  -1.039 -22.380
   15    HB2  LEU   3           2HB      LEU   3   2.166  -0.065 -19.526
   16    HB3  LEU   3           1HB      LEU   3   1.562  -1.613 -20.082
   17    HG   LEU   3           HG       LEU   3   4.432  -0.694 -20.010
   18   HD11  LEU   3          1HD1      LEU   3   3.835  -3.239 -18.815
   19   HD12  LEU   3          2HD1      LEU   3   2.811  -1.977 -18.131
   20   HD13  LEU   3          3HD1      LEU   3   4.565  -1.803 -18.095
   21   HD21  LEU   3          1HD2      LEU   3   4.451  -1.908 -21.966
   22   HD22  LEU   3          2HD2      LEU   3   3.131  -2.959 -21.452
   23   HD23  LEU   3          3HD2      LEU   3   4.744  -3.172 -20.771
   24    H    GLY   4           H        GLY   4   1.177   2.021 -21.020
   25    HA2  GLY   4           2HA      GLY   4  -0.805   3.127 -21.637
   26    HA3  GLY   4           1HA      GLY   4  -1.428   1.610 -22.270
   27    H    SER   5           H        SER   5  -0.064   1.216 -19.213
   28    HA   SER   5           HA       SER   5  -2.533   0.533 -18.017
   29    HB2  SER   5           2HB      SER   5  -0.397  -0.488 -17.335
   30    HB3  SER   5           1HB      SER   5   0.142   1.067 -16.705
   31    HG   SER   5           HG       SER   5  -1.423  -0.793 -15.538
   32    H    MET   6           H        MET   6  -3.531   1.501 -16.157
   33    HA   MET   6           HA       MET   6  -4.071   4.217 -16.434
   34    HB2  MET   6           2HB      MET   6  -4.436   2.416 -14.034
   35    HB3  MET   6           1HB      MET   6  -5.118   4.031 -14.169
   36    HG2  MET   6           2HG      MET   6  -5.749   1.645 -15.886
   37    HG3  MET   6           1HG      MET   6  -6.803   2.421 -14.706
   38    HE1  MET   6           1HE      MET   6  -6.522   5.986 -16.148
   39    HE2  MET   6           2HE      MET   6  -6.792   4.973 -14.729
   40    HE3  MET   6           3HE      MET   6  -8.127   5.325 -15.828
   41    H    GLY   7           H        GLY   7  -1.618   2.559 -14.582
   42    HA2  GLY   7           2HA      GLY   7   0.437   3.808 -14.155
   43    HA3  GLY   7           1HA      GLY   7  -0.567   5.194 -13.762
   44    H    GLU   8           H        GLU   8   1.469   4.133 -12.110
   45    HA   GLU   8           HA       GLU   8   0.045   2.756  -9.964
   46    HB2  GLU   8           2HB      GLU   8   2.975   3.452 -10.241
   47    HB3  GLU   8           1HB      GLU   8   2.271   2.516  -8.929
   48    HG2  GLU   8           2HG      GLU   8   1.549   0.822 -10.568
   49    HG3  GLU   8           1HG      GLU   8   2.354   1.743 -11.836
   50    H    LYS   9           H        LYS   9  -0.141   5.729 -10.787
   51    HA   LYS   9           HA       LYS   9   0.917   7.294  -8.716
   52    HB2  LYS   9           2HB      LYS   9  -0.108   8.198 -10.811
   53    HB3  LYS   9           1HB      LYS   9  -1.691   7.751 -10.187
   54    HG2  LYS   9           2HG      LYS   9  -1.388   9.273  -8.306
   55    HG3  LYS   9           1HG      LYS   9   0.207   9.714  -8.916
   56    HD2  LYS   9           2HD      LYS   9  -0.868  10.532 -10.996
   57    HD3  LYS   9           1HD      LYS   9  -2.444  10.185 -10.280
   58    HE2  LYS   9           2HE      LYS   9  -2.275  11.899  -8.749
   59    HE3  LYS   9           1HE      LYS   9  -0.513  11.900  -8.788
   60    HZ1  LYS   9           1HZ      LYS   9  -0.599  12.890 -10.992
   61    HZ2  LYS   9           2HZ      LYS   9  -1.422  13.855  -9.873
   62    HZ3  LYS   9           3HZ      LYS   9  -2.291  12.887 -10.954
   63    H    GLN  10           H        GLN  10  -1.551   4.965  -8.779
   64    HA   GLN  10           HA       GLN  10  -3.233   5.800  -6.697
   65    HB2  GLN  10           2HB      GLN  10  -3.826   4.005  -8.222
   66    HB3  GLN  10           1HB      GLN  10  -2.467   3.037  -7.662
   67    HG2  GLN  10           2HG      GLN  10  -3.497   2.876  -5.453
   68    HG3  GLN  10           1HG      GLN  10  -4.859   3.845  -6.017
   69   HE21  GLN  10          1HE2      GLN  10  -3.400   0.739  -5.955
   70   HE22  GLN  10          2HE2      GLN  10  -4.642  -0.109  -6.804
   71    H    SER  11           H        SER  11  -2.928   5.904  -4.555
   72    HA   SER  11           HA       SER  11  -0.417   5.393  -3.373
   73    HB2  SER  11           2HB      SER  11  -1.498   5.956  -1.262
   74    HB3  SER  11           1HB      SER  11  -2.037   7.068  -2.519
   75    HG   SER  11           HG       SER  11  -3.786   5.256  -2.683
   76    H    LYS  12           H        LYS  12  -3.361   3.515  -3.616
   77    HA   LYS  12           HA       LYS  12  -2.825   1.568  -1.677
   78    HB2  LYS  12           2HB      LYS  12  -5.011   1.888  -2.805
   79    HB3  LYS  12           1HB      LYS  12  -4.321   1.226  -4.280
   80    HG2  LYS  12           2HG      LYS  12  -3.912  -0.897  -3.111
   81    HG3  LYS  12           1HG      LYS  12  -4.674  -0.224  -1.667
   82    HD2  LYS  12           2HD      LYS  12  -6.745   0.127  -2.973
   83    HD3  LYS  12           1HD      LYS  12  -5.974  -0.650  -4.357
   84    HE2  LYS  12           2HE      LYS  12  -5.662  -2.342  -2.097
   85    HE3  LYS  12           1HE      LYS  12  -7.353  -1.852  -2.187
   86    HZ1  LYS  12           1HZ      LYS  12  -7.640  -2.873  -4.197
   87    HZ2  LYS  12           2HZ      LYS  12  -6.500  -3.914  -3.505
   88    HZ3  LYS  12           3HZ      LYS  12  -6.010  -2.755  -4.635
   89    H    GLY  13           H        GLY  13  -1.827   1.842  -5.040
   90    HA2  GLY  13           2HA      GLY  13   0.319   0.924  -5.692
   91    HA3  GLY  13           1HA      GLY  13   0.020  -0.414  -4.591
   92    H    TYR  14           H        TYR  14   0.624  -0.316  -7.517
   93    HA   TYR  14           HA       TYR  14  -1.790  -1.205  -8.810
   94    HB2  TYR  14           2HB      TYR  14  -0.060  -0.020 -10.077
   95    HB3  TYR  14           1HB      TYR  14   1.073  -1.333  -9.770
   96    HD1  TYR  14           2HD      TYR  14  -1.963  -0.344 -11.598
   97    HD2  TYR  14           1HD      TYR  14   0.940  -3.395 -10.999
   98    HE1  TYR  14           2HE      TYR  14  -2.768  -1.497 -13.615
   99    HE2  TYR  14           1HE      TYR  14   0.143  -4.558 -13.015
  100    HH   TYR  14           HH       TYR  14  -1.286  -3.481 -15.320
  101    H    TRP  15           H        TRP  15  -2.582  -3.189  -8.761
  102    HA   TRP  15           HA       TRP  15  -1.015  -5.345  -7.594
  103    HB2  TRP  15           2HB      TRP  15  -3.101  -6.584  -7.527
  104    HB3  TRP  15           1HB      TRP  15  -3.358  -4.968  -6.880
  105    HD1  TRP  15           HD       TRP  15  -4.411  -7.259  -9.713
  106    HE1  TRP  15           1HE      TRP  15  -6.322  -6.149 -11.033
  107    HE3  TRP  15           3HE      TRP  15  -4.273  -2.610  -7.590
  108    HZ2  TRP  15           2HZ      TRP  15  -7.602  -3.635 -11.156
  109    HZ3  TRP  15           3HZ      TRP  15  -5.874  -0.911  -8.365
  110    HH2  TRP  15           HH       TRP  15  -7.505  -1.415 -10.113
  111    H    GLN  16           H        GLN  16   0.170  -6.649  -8.820
  112    HA   GLN  16           HA       GLN  16  -0.319  -6.864 -11.682
  113    HB2  GLN  16           2HB      GLN  16   1.999  -6.639 -10.762
  114    HB3  GLN  16           1HB      GLN  16   1.801  -8.202  -9.981
  115    HG2  GLN  16           2HG      GLN  16   1.544  -9.266 -12.160
  116    HG3  GLN  16           1HG      GLN  16   1.722  -7.699 -12.949
  117   HE21  GLN  16          1HE2      GLN  16   3.397  -9.559 -13.766
  118   HE22  GLN  16          2HE2      GLN  16   4.987  -9.320 -13.134
  119    H    GLU  17           H        GLU  17  -1.394  -8.406 -12.621
  120    HA   GLU  17           HA       GLU  17  -2.955 -10.213 -11.231
  121    HB2  GLU  17           2HB      GLU  17  -2.141 -10.204 -14.130
  122    HB3  GLU  17           1HB      GLU  17  -3.376 -11.264 -13.465
  123    HG2  GLU  17           2HG      GLU  17  -3.431  -8.256 -13.506
  124    HG3  GLU  17           1HG      GLU  17  -4.393  -9.343 -14.506
  125    H    ASP  18           H        ASP  18  -3.035 -12.461 -11.198
  126    HA   ASP  18           HA       ASP  18  -0.774 -13.832 -10.306
  127    HB2  ASP  18           2HB      ASP  18  -3.279 -14.414 -10.108
  128    HB3  ASP  18           1HB      ASP  18  -3.083 -15.186 -11.675
  129    H    GLU  19           H        GLU  19  -2.306 -13.840 -13.499
  130    HA   GLU  19           HA       GLU  19  -0.535 -15.692 -14.675
  131    HB2  GLU  19           2HB      GLU  19  -2.341 -13.604 -15.883
  132    HB3  GLU  19           1HB      GLU  19  -1.435 -14.766 -16.840
  133    HG2  GLU  19           2HG      GLU  19  -2.607 -16.596 -15.713
  134    HG3  GLU  19           1HG      GLU  19  -3.526 -15.421 -14.776
  135    H    ASP  20           H        ASP  20  -0.521 -12.149 -14.590
  136    HA   ASP  20           HA       ASP  20   1.684 -11.872 -16.350
  137    HB2  ASP  20           2HB      ASP  20   0.545  -9.986 -14.274
  138    HB3  ASP  20           1HB      ASP  20   1.813  -9.543 -15.412
  139    H    ALA  21           H        ALA  21   1.339 -12.277 -12.915
  140    HA   ALA  21           HA       ALA  21   4.271 -12.238 -12.600
  141    HB1  ALA  21           1HB      ALA  21   2.750 -10.652 -11.242
  142    HB2  ALA  21           2HB      ALA  21   4.024 -11.533 -10.396
  143    HB3  ALA  21           3HB      ALA  21   2.353 -12.091 -10.303
  144    HA   PRO  22           HA       PRO  22   3.022 -16.665 -12.120
  145    HB2  PRO  22           2HB      PRO  22   4.846 -17.706 -13.775
  146    HB3  PRO  22           1HB      PRO  22   3.367 -16.959 -14.387
  147    HG2  PRO  22           2HG      PRO  22   6.122 -15.799 -14.192
  148    HG3  PRO  22           1HG      PRO  22   4.982 -15.738 -15.550
  149    HD2  PRO  22           2HD      PRO  22   5.304 -13.693 -13.776
  150    HD3  PRO  22           1HD      PRO  22   3.777 -14.014 -14.621
  151    H    ALA  23           H        ALA  23   5.872 -14.849 -11.609
  152    HA   ALA  23           HA       ALA  23   6.821 -16.859  -9.693
  153    HB1  ALA  23           1HB      ALA  23   9.179 -15.805 -10.569
  154    HB2  ALA  23           2HB      ALA  23   8.247 -15.901 -12.064
  155    HB3  ALA  23           3HB      ALA  23   8.506 -17.348 -11.089
  156    H    CYS  24           H        CYS  24   8.161 -15.981  -7.985
  157    HA   CYS  24           HA       CYS  24   7.164 -13.630  -6.893
  158    HB2  CYS  24           2HB      CYS  24   8.735 -15.711  -6.026
  159    HB3  CYS  24           1HB      CYS  24   9.846 -14.348  -5.968
  160    HG   CYS  24           HG       CYS  24   8.262 -14.806  -3.751
  161    H    ASN  25           H        ASN  25   7.588 -11.578  -7.193
  162    HA   ASN  25           HA       ASN  25   9.405 -10.625  -9.116
  163    HB2  ASN  25           2HB      ASN  25   7.940  -9.219  -6.877
  164    HB3  ASN  25           1HB      ASN  25   8.875  -8.377  -8.107
  165   HD21  ASN  25          1HD2      ASN  25   6.042 -10.300  -7.475
  166   HD22  ASN  25          2HD2      ASN  25   5.213  -9.918  -8.943
  167    H    GLY  26           H        GLY  26   9.697 -11.273  -5.713
  168    HA2  GLY  26           2HA      GLY  26  12.165  -9.762  -5.474
  169    HA3  GLY  26           1HA      GLY  26  11.354 -10.641  -4.192
  170    H    CYS  27           H        CYS  27  11.278 -13.204  -4.976
  171    HA   CYS  27           HA       CYS  27  14.131 -13.829  -5.224
  172    HB2  CYS  27           2HB      CYS  27  13.664 -15.904  -4.096
  173    HB3  CYS  27           1HB      CYS  27  12.932 -14.588  -3.186
  174    HG   CYS  27           HG       CYS  27  11.439 -16.912  -3.845
  175    H    GLY  28           H        GLY  28  11.467 -13.807  -7.231
  176    HA2  GLY  28           2HA      GLY  28  11.207 -14.657  -9.339
  177    HA3  GLY  28           1HA      GLY  28  12.841 -15.285  -9.217
  178    H    CYS  29           H        CYS  29  10.852 -16.391  -6.683
  179    HA   CYS  29           HA       CYS  29  10.972 -19.063  -7.693
  180    HB2  CYS  29           2HB      CYS  29  10.111 -19.768  -5.641
  181    HB3  CYS  29           1HB      CYS  29  10.997 -18.308  -5.221
  182    HG   CYS  29           HG       CYS  29   8.657 -18.283  -4.055
  183    H    VAL  30           H        VAL  30   9.343 -20.380  -8.430
  184    HA   VAL  30           HA       VAL  30   7.194 -19.012  -9.775
  185    HB   VAL  30           HB       VAL  30   6.663 -21.684 -10.136
  186   HG11  VAL  30          1HG1      VAL  30   8.600 -20.167 -11.853
  187   HG12  VAL  30          2HG1      VAL  30   6.892 -19.738 -11.761
  188   HG13  VAL  30          3HG1      VAL  30   7.370 -21.334 -12.340
  189   HG21  VAL  30          1HG2      VAL  30   8.719 -22.269  -8.895
  190   HG22  VAL  30          2HG2      VAL  30   9.662 -21.369 -10.082
  191   HG23  VAL  30          3HG2      VAL  30   8.758 -22.800 -10.576
  192    H    PHE  31           H        PHE  31   5.064 -19.033  -9.335
  193    HA   PHE  31           HA       PHE  31   4.253 -19.936  -6.709
  194    HB2  PHE  31           2HB      PHE  31   2.733 -18.508  -8.903
  195    HB3  PHE  31           1HB      PHE  31   2.067 -18.886  -7.316
  196    HD1  PHE  31           2HD      PHE  31   3.045 -17.829  -5.292
  197    HD2  PHE  31           1HD      PHE  31   4.153 -16.650  -9.226
  198    HE1  PHE  31           2HE      PHE  31   3.977 -15.736  -4.398
  199    HE2  PHE  31           1HE      PHE  31   5.089 -14.557  -8.339
  200    HZ   PHE  31           HZ       PHE  31   5.002 -14.098  -5.922
  201    H    THR  32           H        THR  32   3.038 -21.631  -6.243
  202    HA   THR  32           HA       THR  32   2.030 -23.279  -8.469
  203    HB   THR  32           HB       THR  32   2.716 -25.279  -7.356
  204    HG1  THR  32           1HG      THR  32   3.809 -23.772  -5.238
  205   HG21  THR  32          1HG2      THR  32   4.526 -23.688  -8.446
  206   HG22  THR  32          2HG2      THR  32   4.960 -25.204  -7.656
  207   HG23  THR  32          3HG2      THR  32   5.140 -23.675  -6.794
  208    H    THR  33           H        THR  33   0.429 -24.952  -7.682
  209    HA   THR  33           HA       THR  33  -1.875 -23.791  -6.749
  210    HB   THR  33           HB       THR  33  -1.071 -26.671  -6.306
  211    HG1  THR  33           1HG      THR  33  -2.446 -26.687  -8.393
  212   HG21  THR  33          1HG2      THR  33  -3.488 -27.102  -6.651
  213   HG22  THR  33          2HG2      THR  33  -3.764 -25.363  -6.562
  214   HG23  THR  33          3HG2      THR  33  -3.115 -26.226  -5.166
  215    H    THR  34           H        THR  34   0.607 -25.452  -4.806
  216    HA   THR  34           HA       THR  34  -0.832 -25.194  -2.382
  217    HB   THR  34           HB       THR  34   2.162 -25.491  -2.723
  218    HG1  THR  34           1HG      THR  34   1.304 -27.209  -3.744
  219   HG21  THR  34          1HG2      THR  34   2.175 -26.526  -0.571
  220   HG22  THR  34          2HG2      THR  34   0.422 -26.387  -0.442
  221   HG23  THR  34          3HG2      THR  34   1.425 -24.936  -0.427
  222    H    VAL  35           H        VAL  35   1.557 -23.121  -3.986
  223    HA   VAL  35           HA       VAL  35   1.570 -21.292  -1.734
  224    HB   VAL  35           HB       VAL  35   2.873 -21.011  -4.440
  225   HG11  VAL  35          1HG1      VAL  35   4.169 -19.224  -3.424
  226   HG12  VAL  35          2HG1      VAL  35   3.302 -19.440  -1.904
  227   HG13  VAL  35          3HG1      VAL  35   2.445 -18.866  -3.336
  228   HG21  VAL  35          1HG2      VAL  35   4.324 -22.527  -3.682
  229   HG22  VAL  35          2HG2      VAL  35   3.613 -22.502  -2.068
  230   HG23  VAL  35          3HG2      VAL  35   4.837 -21.310  -2.512
  231    H    ARG  36           H        ARG  36  -0.027 -19.987  -1.460
  232    HA   ARG  36           HA       ARG  36  -1.856 -19.185  -3.519
  233    HB2  ARG  36           2HB      ARG  36  -1.530 -18.164  -0.691
  234    HB3  ARG  36           1HB      ARG  36  -2.893 -17.829  -1.752
  235    HG2  ARG  36           2HG      ARG  36  -2.096 -20.575  -0.808
  236    HG3  ARG  36           1HG      ARG  36  -3.356 -19.579  -0.074
  237    HD2  ARG  36           2HD      ARG  36  -4.527 -19.536  -2.256
  238    HD3  ARG  36           1HD      ARG  36  -3.305 -20.631  -2.899
  239    HE   ARG  36           HE       ARG  36  -5.540 -21.336  -1.296
  240   HH11  ARG  36          1HH1      ARG  36  -2.209 -22.139  -1.914
  241   HH12  ARG  36          2HH1      ARG  36  -2.375 -23.786  -1.409
  242   HH21  ARG  36          1HH2      ARG  36  -5.770 -23.504  -0.624
  243   HH22  ARG  36          2HH2      ARG  36  -4.399 -24.562  -0.673
  244    H    ARG  37           H        ARG  37  -2.218 -17.125  -4.327
  245    HA   ARG  37           HA       ARG  37   0.183 -15.572  -4.713
  246    HB2  ARG  37           2HB      ARG  37  -1.329 -15.972  -6.592
  247    HB3  ARG  37           1HB      ARG  37  -2.633 -15.162  -5.734
  248    HG2  ARG  37           2HG      ARG  37  -1.474 -13.059  -5.852
  249    HG3  ARG  37           1HG      ARG  37  -0.063 -13.841  -6.565
  250    HD2  ARG  37           2HD      ARG  37  -1.402 -12.713  -8.264
  251    HD3  ARG  37           1HD      ARG  37  -1.375 -14.455  -8.520
  252    HE   ARG  37           HE       ARG  37  -3.636 -14.477  -8.236
  253   HH11  ARG  37          1HH1      ARG  37  -2.377 -11.558  -6.811
  254   HH12  ARG  37          2HH1      ARG  37  -3.941 -10.894  -6.479
  255   HH21  ARG  37          1HH2      ARG  37  -5.696 -13.611  -7.806
  256   HH22  ARG  37          2HH2      ARG  37  -5.829 -12.064  -7.040
  257    H    HIS  38           H        HIS  38   0.632 -13.567  -3.938
  258    HA   HIS  38           HA       HIS  38  -1.383 -12.184  -2.345
  259    HB2  HIS  38           2HB      HIS  38   1.354 -12.921  -1.292
  260    HB3  HIS  38           1HB      HIS  38   0.216 -11.845  -0.488
  261    HD1  HIS  38           1HD      HIS  38  -2.315 -13.213  -0.291
  262    HD2  HIS  38           2HD      HIS  38   1.240 -15.362  -0.160
  263    HE1  HIS  38           1HE      HIS  38  -2.887 -15.394   0.824
  264    HE2  HIS  38           2HE      HIS  38  -0.724 -16.685   0.879
  265    H    HIS  39           H        HIS  39  -0.637  -9.981  -1.707
  266    HA   HIS  39           HA       HIS  39   1.266  -8.882  -3.676
  267    HB2  HIS  39           2HB      HIS  39  -1.436  -7.785  -2.896
  268    HB3  HIS  39           1HB      HIS  39  -0.230  -6.861  -3.786
  269    HD1  HIS  39           1HD      HIS  39  -2.977  -7.456  -5.021
  270    HD2  HIS  39           2HD      HIS  39   0.398  -9.808  -5.607
  271    HE1  HIS  39           1HE      HIS  39  -3.371  -8.673  -7.186
  272    HE2  HIS  39           2HE      HIS  39  -1.298 -10.058  -7.542
  273    H    CYS  40           H        CYS  40   2.492  -7.109  -3.056
  274    HA   CYS  40           HA       CYS  40   2.755  -6.702  -0.174
  275    HB2  CYS  40           2HB      CYS  40   4.820  -7.131  -1.368
  276    HB3  CYS  40           1HB      CYS  40   4.442  -5.891  -2.557
  277    HG   CYS  40           HG       CYS  40   5.311  -4.143  -1.049
  278    H    ARG  41           H        ARG  41   2.260  -4.794   0.805
  279    HA   ARG  41           HA       ARG  41   0.437  -3.072  -0.515
  280    HB2  ARG  41           2HB      ARG  41   1.744  -2.880   2.196
  281    HB3  ARG  41           1HB      ARG  41   0.447  -1.827   1.646
  282    HG2  ARG  41           2HG      ARG  41   0.230  -4.822   1.853
  283    HG3  ARG  41           1HG      ARG  41  -0.312  -3.689   3.093
  284    HD2  ARG  41           2HD      ARG  41  -1.793  -2.636   1.395
  285    HD3  ARG  41           1HD      ARG  41  -1.323  -3.900   0.259
  286    HE   ARG  41           HE       ARG  41  -2.265  -5.132   2.581
  287   HH11  ARG  41          1HH1      ARG  41  -3.442  -3.144  -0.023
  288   HH12  ARG  41          2HH1      ARG  41  -5.054  -3.773   0.052
  289   HH21  ARG  41          1HH2      ARG  41  -4.387  -5.970   2.689
  290   HH22  ARG  41          2HH2      ARG  41  -5.592  -5.378   1.594
  291    H    ASN  42           H        ASN  42   3.774  -3.062  -0.571
  292    HA   ASN  42           HA       ASN  42   3.950  -0.150  -0.822
  293    HB2  ASN  42           2HB      ASN  42   6.057  -2.277  -0.464
  294    HB3  ASN  42           1HB      ASN  42   6.444  -0.598  -0.820
  295   HD21  ASN  42          1HD2      ASN  42   6.487  -2.646   1.584
  296   HD22  ASN  42          2HD2      ASN  42   6.042  -1.635   2.909
  297    H    CYS  43           H        CYS  43   5.632  -2.822  -2.481
  298    HA   CYS  43           HA       CYS  43   5.842  -1.263  -4.863
  299    HB2  CYS  43           2HB      CYS  43   6.930  -3.236  -5.828
  300    HB3  CYS  43           1HB      CYS  43   7.591  -2.852  -4.244
  301    HG   CYS  43           HG       CYS  43   5.710  -4.882  -3.571
  302    H    GLY  44           H        GLY  44   3.552  -3.553  -3.662
  303    HA2  GLY  44           2HA      GLY  44   1.481  -4.120  -4.503
  304    HA3  GLY  44           1HA      GLY  44   1.772  -3.007  -5.831
  305    H    TYR  45           H        TYR  45   4.126  -5.449  -5.256
  306    HA   TYR  45           HA       TYR  45   3.298  -6.792  -7.725
  307    HB2  TYR  45           2HB      TYR  45   5.919  -6.962  -6.229
  308    HB3  TYR  45           1HB      TYR  45   5.561  -7.732  -7.769
  309    HD1  TYR  45           1HD      TYR  45   4.198  -5.624  -9.256
  310    HD2  TYR  45           2HD      TYR  45   7.557  -5.373  -6.657
  311    HE1  TYR  45           1HE      TYR  45   4.961  -3.612 -10.448
  312    HE2  TYR  45           2HE      TYR  45   8.329  -3.360  -7.840
  313    HH   TYR  45           HH       TYR  45   7.954  -2.421 -10.314
  314    H    VAL  46           H        VAL  46   3.603  -9.142  -7.825
  315    HA   VAL  46           HA       VAL  46   2.198 -10.344  -5.642
  316    HB   VAL  46           HB       VAL  46   3.361 -11.636  -8.114
  317   HG11  VAL  46          1HG1      VAL  46   3.072 -13.217  -6.251
  318   HG12  VAL  46          2HG1      VAL  46   1.962 -13.547  -7.581
  319   HG13  VAL  46          3HG1      VAL  46   1.380 -12.738  -6.125
  320   HG21  VAL  46          1HG2      VAL  46   0.569 -11.671  -8.195
  321   HG22  VAL  46          2HG2      VAL  46   1.651 -10.670  -9.165
  322   HG23  VAL  46          3HG2      VAL  46   0.998 -10.048  -7.650
  323    H    LEU  47           H        LEU  47   2.970 -11.453  -3.966
  324    HA   LEU  47           HA       LEU  47   5.730 -12.466  -4.071
  325    HB2  LEU  47           2HB      LEU  47   4.458 -10.828  -1.880
  326    HB3  LEU  47           1HB      LEU  47   5.867 -11.827  -1.604
  327    HG   LEU  47           HG       LEU  47   6.415  -9.452  -1.915
  328   HD11  LEU  47          1HD1      LEU  47   7.502 -11.639  -3.523
  329   HD12  LEU  47          2HD1      LEU  47   8.312 -10.499  -2.450
  330   HD13  LEU  47          3HD1      LEU  47   7.912 -10.023  -4.100
  331   HD21  LEU  47          1HD2      LEU  47   6.012  -9.483  -4.805
  332   HD22  LEU  47          2HD2      LEU  47   5.733  -8.199  -3.626
  333   HD23  LEU  47          3HD2      LEU  47   4.522  -9.458  -3.864
  334    H    CYS  48           H        CYS  48   6.032 -14.417  -3.101
  335    HA   CYS  48           HA       CYS  48   3.677 -15.915  -2.361
  336    HB2  CYS  48           2HB      CYS  48   5.069 -17.840  -2.349
  337    HB3  CYS  48           1HB      CYS  48   5.670 -16.847  -3.672
  338    HG   CYS  48           HG       CYS  48   7.183 -17.480  -1.076
  339    H    GLY  49           H        GLY  49   4.043 -17.389  -0.239
  340    HA2  GLY  49           2HA      GLY  49   3.829 -15.698   1.940
  341    HA3  GLY  49           1HA      GLY  49   4.219 -17.407   2.053
  342    H    ASP  50           H        ASP  50   6.659 -17.667   1.054
  343    HA   ASP  50           HA       ASP  50   8.364 -16.829   3.072
  344    HB2  ASP  50           2HB      ASP  50   8.907 -17.785   0.269
  345    HB3  ASP  50           1HB      ASP  50  10.209 -17.391   1.384
  346    H    CYS  51           H        CYS  51   7.647 -15.246   0.036
  347    HA   CYS  51           HA       CYS  51   9.670 -13.219   0.531
  348    HB2  CYS  51           2HB      CYS  51   7.960 -13.977  -1.772
  349    HB3  CYS  51           1HB      CYS  51   8.431 -12.283  -1.655
  350    HG   CYS  51           HG       CYS  51  10.913 -13.854  -1.387
  351    H    SER  52           H        SER  52   6.638 -13.774   1.638
  352    HA   SER  52           HA       SER  52   6.170 -10.916   2.087
  353    HB2  SER  52           2HB      SER  52   3.845 -11.098   1.669
  354    HB3  SER  52           1HB      SER  52   4.609 -11.951   0.329
  355    HG   SER  52           HG       SER  52   3.023 -13.281   1.065
  356    H    ARG  53           H        ARG  53   7.425 -13.102   3.638
  357    HA   ARG  53           HA       ARG  53   5.566 -13.729   5.751
  358    HB2  ARG  53           2HB      ARG  53   8.492 -14.284   5.327
  359    HB3  ARG  53           1HB      ARG  53   7.735 -14.582   6.885
  360    HG2  ARG  53           2HG      ARG  53   6.122 -16.088   5.748
  361    HG3  ARG  53           1HG      ARG  53   7.023 -15.853   4.253
  362    HD2  ARG  53           2HD      ARG  53   9.048 -16.714   5.389
  363    HD3  ARG  53           1HD      ARG  53   8.063 -17.052   6.812
  364    HE   ARG  53           HE       ARG  53   8.204 -18.594   4.399
  365   HH11  ARG  53          1HH1      ARG  53   6.190 -17.736   7.107
  366   HH12  ARG  53          2HH1      ARG  53   5.254 -19.192   7.038
  367   HH21  ARG  53          1HH2      ARG  53   6.979 -20.516   4.301
  368   HH22  ARG  53          2HH2      ARG  53   5.702 -20.773   5.442
  369    H    HIS  54           H        HIS  54   7.715 -11.136   5.022
  370    HA   HIS  54           HA       HIS  54   8.140 -10.349   7.746
  371    HB2  HIS  54           2HB      HIS  54   8.620  -8.921   5.129
  372    HB3  HIS  54           1HB      HIS  54   9.042  -8.245   6.694
  373    HD1  HIS  54           1HD      HIS  54  11.010  -9.389   7.982
  374    HD2  HIS  54           2HD      HIS  54  10.377 -10.816   4.131
  375    HE1  HIS  54           1HE      HIS  54  13.092 -10.669   7.389
  376    HE2  HIS  54           2HE      HIS  54  12.640 -11.614   5.097
  377    H    ARG  55           H        ARG  55   7.540  -8.160   8.492
  378    HA   ARG  55           HA       ARG  55   5.020  -7.161   7.407
  379    HB2  ARG  55           2HB      ARG  55   5.400  -7.853  10.328
  380    HB3  ARG  55           1HB      ARG  55   3.979  -7.091   9.619
  381    HG2  ARG  55           2HG      ARG  55   3.621  -9.104   8.241
  382    HG3  ARG  55           1HG      ARG  55   4.988  -9.869   9.052
  383    HD2  ARG  55           2HD      ARG  55   3.044 -10.649  10.146
  384    HD3  ARG  55           1HD      ARG  55   3.776  -9.462  11.224
  385    HE   ARG  55           HE       ARG  55   1.258  -9.222   9.804
  386   HH11  ARG  55          1HH1      ARG  55   3.756  -7.624  11.637
  387   HH12  ARG  55          2HH1      ARG  55   2.743  -6.298  12.103
  388   HH21  ARG  55          1HH2      ARG  55  -0.079  -7.481  10.416
  389   HH22  ARG  55          2HH2      ARG  55   0.566  -6.218  11.409
  390    H    ALA  56           H        ALA  56   4.796  -4.995   7.559
  391    HA   ALA  56           HA       ALA  56   6.360  -3.419   9.408
  392    HB1  ALA  56           1HB      ALA  56   7.795  -4.083   7.289
  393    HB2  ALA  56           2HB      ALA  56   7.924  -2.494   8.043
  394    HB3  ALA  56           3HB      ALA  56   6.946  -2.705   6.590
  395    H    ALA  57           H        ALA  57   5.832  -1.170   9.410
  396    HA   ALA  57           HA       ALA  57   3.167  -0.658   8.342
  397    HB1  ALA  57           1HB      ALA  57   3.606  -0.175  10.719
  398    HB2  ALA  57           2HB      ALA  57   3.153   1.273   9.822
  399    HB3  ALA  57           3HB      ALA  57   4.843   0.988  10.242
  400    H    ILE  58           H        ILE  58   2.726   1.137   7.004
  401    HA   ILE  58           HA       ILE  58   5.092   2.384   5.785
  402    HB   ILE  58           HB       ILE  58   2.637   1.819   4.175
  403   HG12  ILE  58          2HG1      ILE  58   4.908  -0.146   4.536
  404   HG13  ILE  58          1HG1      ILE  58   3.344  -0.305   5.328
  405   HG21  ILE  58          1HG2      ILE  58   5.566   1.960   3.480
  406   HG22  ILE  58          2HG2      ILE  58   4.406   3.273   3.293
  407   HG23  ILE  58          3HG2      ILE  58   4.227   1.798   2.344
  408   HD11  ILE  58          1HD1      ILE  58   4.060  -1.360   2.897
  409   HD12  ILE  58          2HD1      ILE  58   3.097   0.054   2.464
  410   HD13  ILE  58          3HD1      ILE  58   2.420  -1.187   3.518
  411    HA   PRO  59           HA       PRO  59   2.229   5.612   7.479
  412    HB2  PRO  59           2HB      PRO  59   4.286   7.304   8.137
  413    HB3  PRO  59           1HB      PRO  59   3.613   6.082   9.219
  414    HG2  PRO  59           2HG      PRO  59   6.070   5.958   7.519
  415    HG3  PRO  59           1HG      PRO  59   5.821   5.377   9.177
  416    HD2  PRO  59           2HD      PRO  59   5.805   3.705   7.069
  417    HD3  PRO  59           1HD      PRO  59   4.751   3.449   8.476
  418    H    MET  60           H        MET  60   4.372   5.437   4.823
  419    HA   MET  60           HA       MET  60   3.731   8.167   3.992
  420    HB2  MET  60           2HB      MET  60   5.573   6.076   2.813
  421    HB3  MET  60           1HB      MET  60   5.275   7.649   2.088
  422    HG2  MET  60           2HG      MET  60   6.142   8.701   4.165
  423    HG3  MET  60           1HG      MET  60   6.571   7.093   4.745
  424    HE1  MET  60           1HE      MET  60   7.526  10.079   2.458
  425    HE2  MET  60           2HE      MET  60   6.814   8.973   1.284
  426    HE3  MET  60           3HE      MET  60   8.542   9.323   1.230
  427    H    ARG  61           H        ARG  61   3.221   4.820   3.296
  428    HA   ARG  61           HA       ARG  61   1.570   5.351   0.957
  429    HB2  ARG  61           2HB      ARG  61   2.286   2.746   2.305
  430    HB3  ARG  61           1HB      ARG  61   1.449   2.912   0.766
  431    HG2  ARG  61           2HG      ARG  61   3.500   4.196  -0.026
  432    HG3  ARG  61           1HG      ARG  61   4.299   3.587   1.417
  433    HD2  ARG  61           2HD      ARG  61   4.856   2.038  -0.237
  434    HD3  ARG  61           1HD      ARG  61   3.529   1.275   0.637
  435    HE   ARG  61           HE       ARG  61   2.314   1.326  -1.287
  436   HH11  ARG  61          1HH1      ARG  61   4.834   3.721  -1.502
  437   HH12  ARG  61          2HH1      ARG  61   4.468   4.147  -3.139
  438   HH21  ARG  61          1HH2      ARG  61   1.821   1.883  -3.444
  439   HH22  ARG  61          2HH2      ARG  61   2.757   3.103  -4.244
  440    H    GLY  62           H        GLY  62   0.716   6.290   3.594
  441    HA2  GLY  62           2HA      GLY  62  -1.273   6.509   4.716
  442    HA3  GLY  62           1HA      GLY  62  -2.013   5.593   3.413
  443    H    ILE  63           H        ILE  63   0.598   4.150   5.192
  444    HA   ILE  63           HA       ILE  63  -1.364   2.469   6.611
  445    HB   ILE  63           HB       ILE  63   1.327   1.648   5.506
  446   HG12  ILE  63          2HG1      ILE  63  -1.460   0.853   4.640
  447   HG13  ILE  63          1HG1      ILE  63  -0.431   1.999   3.791
  448   HG21  ILE  63          1HG2      ILE  63   0.476  -0.667   6.105
  449   HG22  ILE  63          2HG2      ILE  63  -0.730   0.152   7.102
  450   HG23  ILE  63          3HG2      ILE  63   0.988   0.363   7.443
  451   HD11  ILE  63          1HD1      ILE  63  -0.608  -0.584   3.146
  452   HD12  ILE  63          2HD1      ILE  63   0.723  -0.664   4.300
  453   HD13  ILE  63          3HD1      ILE  63   0.845   0.381   2.883
  454    H    THR  64           H        THR  64  -1.322   3.338   8.640
  455    HA   THR  64           HA       THR  64   1.213   4.107   9.834
  456    HB   THR  64           HB       THR  64  -0.187   4.834  11.758
  457    HG1  THR  64           1HG      THR  64  -1.888   3.240  11.234
  458   HG21  THR  64          1HG2      THR  64  -1.337   5.893   9.199
  459   HG22  THR  64          2HG2      THR  64   0.263   6.333   9.798
  460   HG23  THR  64          3HG2      THR  64  -1.172   6.719  10.747
  461    H    GLU  65           H        GLU  65  -0.938   1.425   9.863
  462    HA   GLU  65           HA       GLU  65   0.343   0.312  12.257
  463    HB2  GLU  65           2HB      GLU  65  -2.144  -0.409  10.715
  464    HB3  GLU  65           1HB      GLU  65  -1.419  -1.535  11.853
  465    HG2  GLU  65           2HG      GLU  65  -2.044   1.241  12.738
  466    HG3  GLU  65           1HG      GLU  65  -3.341   0.055  12.598
  467    HA   PRO  66           HA       PRO  66   3.142  -2.024   9.809
  468    HB2  PRO  66           2HB      PRO  66   2.653  -4.223  11.760
  469    HB3  PRO  66           1HB      PRO  66   4.182  -3.502  11.244
  470    HG2  PRO  66           2HG      PRO  66   3.122  -2.944  13.638
  471    HG3  PRO  66           1HG      PRO  66   3.987  -1.715  12.697
  472    HD2  PRO  66           2HD      PRO  66   1.061  -2.046  13.151
  473    HD3  PRO  66           1HD      PRO  66   2.013  -0.563  12.937
  474    H    GLU  67           H        GLU  67   2.641  -2.926   7.954
  475    HA   GLU  67           HA       GLU  67   0.564  -5.009   7.884
  476    HB2  GLU  67           2HB      GLU  67   1.082  -2.869   5.811
  477    HB3  GLU  67           1HB      GLU  67  -0.063  -4.186   5.631
  478    HG2  GLU  67           2HG      GLU  67  -1.273  -3.330   7.622
  479    HG3  GLU  67           1HG      GLU  67  -0.182  -1.950   7.631
  480    H    ARG  68           H        ARG  68   0.747  -6.410   5.916
  481    HA   ARG  68           HA       ARG  68   3.350  -7.518   5.812
  482    HB2  ARG  68           2HB      ARG  68   2.415  -9.147   4.297
  483    HB3  ARG  68           1HB      ARG  68   1.312  -8.856   5.636
  484    HG2  ARG  68           2HG      ARG  68   0.053  -7.296   4.127
  485    HG3  ARG  68           1HG      ARG  68   1.068  -7.877   2.804
  486    HD2  ARG  68           2HD      ARG  68   0.325 -10.191   3.335
  487    HD3  ARG  68           1HD      ARG  68  -0.785  -9.519   4.525
  488    HE   ARG  68           HE       ARG  68  -1.062  -9.457   1.645
  489   HH11  ARG  68          1HH1      ARG  68  -2.111  -8.168   4.706
  490   HH12  ARG  68          2HH1      ARG  68  -3.629  -7.601   4.094
  491   HH21  ARG  68          1HH2      ARG  68  -3.058  -8.716   0.829
  492   HH22  ARG  68          2HH2      ARG  68  -4.169  -7.916   1.890
  493    H    VAL  69           H        VAL  69   4.885  -7.501   4.335
  494    HA   VAL  69           HA       VAL  69   4.545  -6.129   1.774
  495    HB   VAL  69           HB       VAL  69   6.617  -4.847   2.065
  496   HG11  VAL  69          1HG1      VAL  69   4.335  -4.338   3.939
  497   HG12  VAL  69          2HG1      VAL  69   4.708  -3.559   2.399
  498   HG13  VAL  69          3HG1      VAL  69   5.697  -3.225   3.824
  499   HG21  VAL  69          1HG2      VAL  69   7.337  -4.533   4.532
  500   HG22  VAL  69          2HG2      VAL  69   7.889  -5.959   3.652
  501   HG23  VAL  69          3HG2      VAL  69   6.545  -6.090   4.787
  502    H    CYS  70           H        CYS  70   6.904  -6.245   0.689
  503    HA   CYS  70           HA       CYS  70   7.658  -9.063   0.834
  504    HB2  CYS  70           2HB      CYS  70   8.359  -8.934  -1.367
  505    HB3  CYS  70           1HB      CYS  70   7.039  -7.773  -1.361
  506    HG   CYS  70           HG       CYS  70   9.652  -7.101  -2.329
  507    H    ASP  71           H        ASP  71  10.255  -8.859  -0.215
  508    HA   ASP  71           HA       ASP  71  11.633  -8.072   2.199
  509    HB2  ASP  71           2HB      ASP  71  12.631  -9.315  -0.370
  510    HB3  ASP  71           1HB      ASP  71  13.668  -8.960   1.010
  511    H    ALA  72           H        ALA  72  11.677  -6.921  -1.171
  512    HA   ALA  72           HA       ALA  72  13.728  -5.013  -0.723
  513    HB1  ALA  72           1HB      ALA  72  12.791  -3.956  -2.837
  514    HB2  ALA  72           2HB      ALA  72  11.634  -5.286  -2.856
  515    HB3  ALA  72           3HB      ALA  72  13.363  -5.621  -2.959
  516    H    CYS  73           H        CYS  73  10.198  -4.756  -0.676
  517    HA   CYS  73           HA       CYS  73  10.101  -1.976  -0.227
  518    HB2  CYS  73           2HB      CYS  73   8.040  -4.016   0.627
  519    HB3  CYS  73           1HB      CYS  73   7.782  -2.302   0.311
  520    HG   CYS  73           HG       CYS  73   8.761  -3.825  -2.134
  521    H    TYR  74           H        TYR  74  10.208  -4.757   1.954
  522    HA   TYR  74           HA       TYR  74   9.773  -3.394   4.360
  523    HB2  TYR  74           2HB      TYR  74   9.865  -5.871   4.165
  524    HB3  TYR  74           1HB      TYR  74  11.600  -5.766   3.884
  525    HD1  TYR  74           2HD      TYR  74   8.931  -5.406   6.386
  526    HD2  TYR  74           1HD      TYR  74  13.130  -5.339   5.698
  527    HE1  TYR  74           2HE      TYR  74   9.327  -5.510   8.812
  528    HE2  TYR  74           1HE      TYR  74  13.535  -5.443   8.120
  529    HH   TYR  74           HH       TYR  74  11.317  -4.759  10.388
  530    H    LEU  75           H        LEU  75  12.690  -3.936   2.464
  531    HA   LEU  75           HA       LEU  75  14.485  -2.671   4.276
  532    HB2  LEU  75           2HB      LEU  75  14.590  -3.655   1.476
  533    HB3  LEU  75           1HB      LEU  75  15.809  -2.499   1.969
  534    HG   LEU  75           HG       LEU  75  15.321  -4.965   3.604
  535   HD11  LEU  75          1HD1      LEU  75  16.761  -6.264   2.299
  536   HD12  LEU  75          2HD1      LEU  75  17.317  -4.874   1.368
  537   HD13  LEU  75          3HD1      LEU  75  15.686  -5.498   1.129
  538   HD21  LEU  75          1HD2      LEU  75  16.783  -2.942   4.277
  539   HD22  LEU  75          2HD2      LEU  75  17.924  -3.579   3.091
  540   HD23  LEU  75          3HD2      LEU  75  17.440  -4.567   4.468
  541    H    ALA  76           H        ALA  76  13.025  -1.566   1.217
  542    HA   ALA  76           HA       ALA  76  14.203   0.909   1.065
  543    HB1  ALA  76           1HB      ALA  76  11.334   0.532   0.276
  544    HB2  ALA  76           2HB      ALA  76  12.640  -0.268  -0.600
  545    HB3  ALA  76           3HB      ALA  76  12.585   1.493  -0.514
  546    H    LEU  77           H        LEU  77  11.100   0.159   2.668
  547    HA   LEU  77           HA       LEU  77  10.738   2.800   3.667
  548    HB2  LEU  77           2HB      LEU  77   9.696   0.166   4.728
  549    HB3  LEU  77           1HB      LEU  77   9.140   1.747   5.237
  550    HG   LEU  77           HG       LEU  77   8.937   0.843   2.375
  551   HD11  LEU  77          1HD1      LEU  77   7.700  -0.813   3.428
  552   HD12  LEU  77          2HD1      LEU  77   6.495   0.418   3.050
  553   HD13  LEU  77          3HD1      LEU  77   7.126   0.276   4.690
  554   HD21  LEU  77          1HD2      LEU  77   7.176   2.537   2.278
  555   HD22  LEU  77          2HD2      LEU  77   8.706   3.242   2.801
  556   HD23  LEU  77          3HD2      LEU  77   7.440   2.914   3.984
  557    H    ARG  78           H        ARG  78  12.140  -0.152   4.863
  558    HA   ARG  78           HA       ARG  78  12.848   0.564   7.446
  559    HB2  ARG  78           2HB      ARG  78  12.923  -1.705   6.739
  560    HB3  ARG  78           1HB      ARG  78  14.068  -1.338   5.458
  561    HG2  ARG  78           2HG      ARG  78  15.734  -0.760   7.204
  562    HG3  ARG  78           1HG      ARG  78  14.576  -1.310   8.414
  563    HD2  ARG  78           2HD      ARG  78  14.522  -3.519   7.270
  564    HD3  ARG  78           1HD      ARG  78  15.812  -2.949   6.212
  565    HE   ARG  78           HE       ARG  78  16.619  -2.601   8.871
  566   HH11  ARG  78          1HH1      ARG  78  15.952  -5.154   6.601
  567   HH12  ARG  78          2HH1      ARG  78  17.051  -6.272   7.337
  568   HH21  ARG  78          1HH2      ARG  78  18.064  -4.063   9.850
  569   HH22  ARG  78          2HH2      ARG  78  18.249  -5.654   9.189
  570    H    SER  79           H        SER  79  14.184   1.583   4.426
  571    HA   SER  79           HA       SER  79  16.619   2.532   5.763
  572    HB2  SER  79           2HB      SER  79  16.976   1.153   3.754
  573    HB3  SER  79           1HB      SER  79  16.028   2.298   2.804
  574    HG   SER  79           HG       SER  79  18.581   2.393   3.205
  575    H    SER  80           H        SER  80  17.273   4.693   5.567
  576    HA   SER  80           HA       SER  80  15.137   6.546   4.740
  577    HB2  SER  80           2HB      SER  80  15.527   6.522   7.190
  578    HB3  SER  80           1HB      SER  80  17.208   6.976   6.908
  579    HG   SER  80           HG       SER  80  14.930   8.494   6.148
  580    H    ASN  81           H        ASN  81  15.696   8.382   3.583
  581    HA   ASN  81           HA       ASN  81  18.245   8.209   2.193
  582    HB2  ASN  81           2HB      ASN  81  15.837   9.985   1.742
  583    HB3  ASN  81           1HB      ASN  81  17.277   9.974   0.728
  584   HD21  ASN  81          1HD2      ASN  81  14.774   9.487  -0.300
  585   HD22  ASN  81          2HD2      ASN  81  14.676   7.840  -0.810
  586    H    MET  82           H        MET  82  19.930   9.523   2.525
  587    HA   MET  82           HA       MET  82  20.088  11.175   4.775
  588    HB2  MET  82           2HB      MET  82  21.821  11.090   2.302
  589    HB3  MET  82           1HB      MET  82  22.226  11.992   3.755
  590    HG2  MET  82           2HG      MET  82  22.140   9.851   5.022
  591    HG3  MET  82           1HG      MET  82  21.929   9.011   3.488
  592    HE1  MET  82           1HE      MET  82  23.785  11.479   5.440
  593    HE2  MET  82           2HE      MET  82  25.172  11.884   4.430
  594    HE3  MET  82           3HE      MET  82  25.314  10.626   5.658
  595    H    ALA  83           H        ALA  83  19.318  11.906   1.426
  596    HA   ALA  83           HA       ALA  83  19.518  14.708   1.570
  597    HB1  ALA  83           1HB      ALA  83  18.631  12.766  -0.332
  598    HB2  ALA  83           2HB      ALA  83  19.154  14.428  -0.601
  599    HB3  ALA  83           3HB      ALA  83  17.462  14.083  -0.248
  600    H    GLY  84           H        GLY  84  17.959  16.313   1.898
  601    HA2  GLY  84           2HA      GLY  84  15.259  16.017   2.351
  602    HA3  GLY  84           1HA      GLY  84  16.018  15.706   3.906
  Start of MODEL   11
    1    H1   GLY   1           1HT      GLY   1 -10.456   1.880  20.807
    2    H2   GLY   1           2HT      GLY   1 -11.071   0.875  19.592
    3    H3   GLY   1           3HT      GLY   1 -11.999   2.166  20.173
    4    HA2  GLY   1           1HA      GLY   1  -9.440   3.012  19.206
    5    HA3  GLY   1           2HA      GLY   1 -10.395   2.210  17.970
    6    HA   PRO   2           HA       PRO   2 -12.351   6.449  19.308
    7    HB2  PRO   2           2HB      PRO   2 -10.505   8.412  19.230
    8    HB3  PRO   2           1HB      PRO   2 -10.829   7.484  20.700
    9    HG2  PRO   2           2HG      PRO   2  -8.621   7.158  18.701
   10    HG3  PRO   2           1HG      PRO   2  -8.539   7.119  20.473
   11    HD2  PRO   2           2HD      PRO   2  -8.586   4.871  18.942
   12    HD3  PRO   2           1HD      PRO   2  -9.257   4.937  20.584
   13    H    LEU   3           H        LEU   3 -10.334   5.361  16.844
   14    HA   LEU   3           HA       LEU   3 -10.823   7.551  15.015
   15    HB2  LEU   3           2HB      LEU   3  -9.599   4.844  14.484
   16    HB3  LEU   3           1HB      LEU   3  -9.559   6.228  13.408
   17    HG   LEU   3           HG       LEU   3  -8.173   5.984  16.078
   18   HD11  LEU   3          1HD1      LEU   3  -7.247   5.963  13.225
   19   HD12  LEU   3          2HD1      LEU   3  -6.908   4.804  14.511
   20   HD13  LEU   3          3HD1      LEU   3  -6.167   6.404  14.549
   21   HD21  LEU   3          1HD2      LEU   3  -7.185   8.211  15.403
   22   HD22  LEU   3          2HD2      LEU   3  -8.869   8.236  15.929
   23   HD23  LEU   3          3HD2      LEU   3  -8.481   8.321  14.210
   24    H    GLY   4           H        GLY   4 -12.153   7.507  13.217
   25    HA2  GLY   4           2HA      GLY   4 -14.592   6.170  13.430
   26    HA3  GLY   4           1HA      GLY   4 -13.996   6.945  11.971
   27    H    SER   5           H        SER   5 -15.496   4.398  12.456
   28    HA   SER   5           HA       SER   5 -13.829   2.189  11.946
   29    HB2  SER   5           2HB      SER   5 -15.866   0.999  11.362
   30    HB3  SER   5           1HB      SER   5 -16.174   2.025  12.764
   31    HG   SER   5           HG       SER   5 -17.608   3.059  11.640
   32    H    MET   6           H        MET   6 -15.030   4.696   9.897
   33    HA   MET   6           HA       MET   6 -14.152   3.209   7.512
   34    HB2  MET   6           2HB      MET   6 -15.990   5.597   7.748
   35    HB3  MET   6           1HB      MET   6 -15.476   4.880   6.229
   36    HG2  MET   6           2HG      MET   6 -16.519   2.739   6.982
   37    HG3  MET   6           1HG      MET   6 -17.174   3.618   8.363
   38    HE1  MET   6           1HE      MET   6 -16.929   3.125   4.698
   39    HE2  MET   6           2HE      MET   6 -17.075   4.848   4.360
   40    HE3  MET   6           3HE      MET   6 -18.420   3.765   4.007
   41    H    GLY   7           H        GLY   7 -12.665   4.095   6.108
   42    HA2  GLY   7           2HA      GLY   7 -11.713   6.777   6.331
   43    HA3  GLY   7           1HA      GLY   7 -10.611   5.645   7.100
   44    H    GLU   8           H        GLU   8 -11.428   7.157   4.229
   45    HA   GLU   8           HA       GLU   8 -10.335   5.074   2.512
   46    HB2  GLU   8           2HB      GLU   8 -12.301   6.472   1.812
   47    HB3  GLU   8           1HB      GLU   8 -11.223   7.860   1.743
   48    HG2  GLU   8           2HG      GLU   8  -9.870   6.681   0.049
   49    HG3  GLU   8           1HG      GLU   8 -11.032   5.358   0.081
   50    H    LYS   9           H        LYS   9  -8.834   6.870   4.587
   51    HA   LYS   9           HA       LYS   9  -6.942   8.335   3.038
   52    HB2  LYS   9           2HB      LYS   9  -6.775   7.270   5.867
   53    HB3  LYS   9           1HB      LYS   9  -5.613   8.376   5.145
   54    HG2  LYS   9           2HG      LYS   9  -7.451  10.010   4.821
   55    HG3  LYS   9           1HG      LYS   9  -8.522   8.913   5.694
   56    HD2  LYS   9           2HD      LYS   9  -6.989   9.040   7.639
   57    HD3  LYS   9           1HD      LYS   9  -6.026  10.231   6.762
   58    HE2  LYS   9           2HE      LYS   9  -7.338  11.731   7.795
   59    HE3  LYS   9           1HE      LYS   9  -8.515  11.300   6.555
   60    HZ1  LYS   9           1HZ      LYS   9  -8.542  10.760   9.382
   61    HZ2  LYS   9           2HZ      LYS   9  -8.918   9.410   8.435
   62    HZ3  LYS   9           3HZ      LYS   9  -9.826  10.828   8.281
   63    H    GLN  10           H        GLN  10  -7.540   5.125   3.282
   64    HA   GLN  10           HA       GLN  10  -4.929   4.007   3.375
   65    HB2  GLN  10           2HB      GLN  10  -6.826   2.679   4.016
   66    HB3  GLN  10           1HB      GLN  10  -7.613   2.955   2.468
   67    HG2  GLN  10           2HG      GLN  10  -5.740   1.701   1.389
   68    HG3  GLN  10           1HG      GLN  10  -5.155   1.305   3.005
   69   HE21  GLN  10          1HE2      GLN  10  -5.648  -0.709   3.489
   70   HE22  GLN  10          2HE2      GLN  10  -7.145  -1.503   3.150
   71    H    SER  11           H        SER  11  -3.529   3.578   1.748
   72    HA   SER  11           HA       SER  11  -4.400   4.191  -1.000
   73    HB2  SER  11           2HB      SER  11  -2.880   5.931  -0.065
   74    HB3  SER  11           1HB      SER  11  -1.647   4.691   0.157
   75    HG   SER  11           HG       SER  11  -1.224   4.748  -1.907
   76    H    LYS  12           H        LYS  12  -3.749   2.819  -2.615
   77    HA   LYS  12           HA       LYS  12  -2.150   0.486  -1.795
   78    HB2  LYS  12           2HB      LYS  12  -4.578   0.475  -3.598
   79    HB3  LYS  12           1HB      LYS  12  -3.579  -0.922  -3.220
   80    HG2  LYS  12           2HG      LYS  12  -4.190  -0.654  -0.834
   81    HG3  LYS  12           1HG      LYS  12  -5.286   0.647  -1.304
   82    HD2  LYS  12           2HD      LYS  12  -6.439  -0.977  -2.815
   83    HD3  LYS  12           1HD      LYS  12  -5.429  -2.250  -2.126
   84    HE2  LYS  12           2HE      LYS  12  -6.786  -0.580  -0.138
   85    HE3  LYS  12           1HE      LYS  12  -7.876  -1.497  -1.176
   86    HZ1  LYS  12           1HZ      LYS  12  -7.310  -3.402  -0.195
   87    HZ2  LYS  12           2HZ      LYS  12  -6.649  -2.452   1.037
   88    HZ3  LYS  12           3HZ      LYS  12  -5.657  -3.041  -0.200
   89    H    GLY  13           H        GLY  13  -0.723  -0.350  -3.290
   90    HA2  GLY  13           2HA      GLY  13   0.024   1.465  -5.431
   91    HA3  GLY  13           1HA      GLY  13   0.929   0.059  -4.890
   92    H    TYR  14           H        TYR  14   1.084  -0.051  -7.357
   93    HA   TYR  14           HA       TYR  14  -1.245  -0.976  -8.755
   94    HB2  TYR  14           2HB      TYR  14   0.534   0.236  -9.928
   95    HB3  TYR  14           1HB      TYR  14   1.662  -1.069  -9.575
   96    HD1  TYR  14           1HD      TYR  14  -1.279  -0.090 -11.554
   97    HD2  TYR  14           2HD      TYR  14   1.612  -3.123 -10.822
   98    HE1  TYR  14           1HE      TYR  14  -1.961  -1.232 -13.623
   99    HE2  TYR  14           2HE      TYR  14   0.941  -4.272 -12.887
  100    HH   TYR  14           HH       TYR  14  -0.188  -3.490 -15.147
  101    H    TRP  15           H        TRP  15  -2.030  -2.960  -8.720
  102    HA   TRP  15           HA       TRP  15  -0.427  -5.140  -7.612
  103    HB2  TRP  15           2HB      TRP  15  -2.566  -6.390  -7.580
  104    HB3  TRP  15           1HB      TRP  15  -2.660  -4.871  -6.695
  105    HD1  TRP  15           HD       TRP  15  -4.020  -2.837  -7.938
  106    HE1  TRP  15           1HE      TRP  15  -5.995  -2.940  -9.584
  107    HE3  TRP  15           3HE      TRP  15  -3.600  -7.717  -9.412
  108    HZ2  TRP  15           2HZ      TRP  15  -7.217  -4.836 -11.280
  109    HZ3  TRP  15           3HZ      TRP  15  -5.213  -8.596 -11.047
  110    HH2  TRP  15           HH       TRP  15  -6.984  -7.185 -11.961
  111    H    GLN  16           H        GLN  16   0.671  -6.429  -8.922
  112    HA   GLN  16           HA       GLN  16   0.091  -6.532 -11.762
  113    HB2  GLN  16           2HB      GLN  16   2.432  -6.452 -10.938
  114    HB3  GLN  16           1HB      GLN  16   2.186  -7.997 -10.135
  115    HG2  GLN  16           2HG      GLN  16   1.829  -9.076 -12.283
  116    HG3  GLN  16           1HG      GLN  16   2.025  -7.527 -13.104
  117   HE21  GLN  16          1HE2      GLN  16   3.604  -9.512 -13.904
  118   HE22  GLN  16          2HE2      GLN  16   5.227  -9.290 -13.354
  119    H    GLU  17           H        GLU  17  -0.942  -8.028 -12.815
  120    HA   GLU  17           HA       GLU  17  -2.626  -9.824 -11.536
  121    HB2  GLU  17           2HB      GLU  17  -1.713  -9.756 -14.409
  122    HB3  GLU  17           1HB      GLU  17  -3.042 -10.744 -13.814
  123    HG2  GLU  17           2HG      GLU  17  -4.196  -8.692 -13.083
  124    HG3  GLU  17           1HG      GLU  17  -2.886  -7.738 -13.776
  125    H    ASP  18           H        ASP  18  -2.740 -12.094 -11.571
  126    HA   ASP  18           HA       ASP  18  -0.474 -13.500 -10.725
  127    HB2  ASP  18           2HB      ASP  18  -1.855 -15.503 -11.031
  128    HB3  ASP  18           1HB      ASP  18  -2.747 -14.216 -10.223
  129    H    GLU  19           H        GLU  19  -2.043 -13.432 -13.904
  130    HA   GLU  19           HA       GLU  19  -0.380 -15.353 -15.104
  131    HB2  GLU  19           2HB      GLU  19  -2.014 -13.120 -16.305
  132    HB3  GLU  19           1HB      GLU  19  -1.207 -14.355 -17.259
  133    HG2  GLU  19           2HG      GLU  19  -3.329 -14.855 -15.184
  134    HG3  GLU  19           1HG      GLU  19  -3.582 -14.836 -16.928
  135    H    ASP  20           H        ASP  20  -0.152 -11.822 -14.993
  136    HA   ASP  20           HA       ASP  20   2.144 -11.693 -16.680
  137    HB2  ASP  20           2HB      ASP  20   0.960  -9.695 -14.743
  138    HB3  ASP  20           1HB      ASP  20   2.320  -9.345 -15.808
  139    H    ALA  21           H        ALA  21   1.581 -12.124 -13.296
  140    HA   ALA  21           HA       ALA  21   4.490 -12.149 -12.800
  141    HB1  ALA  21           1HB      ALA  21   4.152 -10.841 -11.034
  142    HB2  ALA  21           2HB      ALA  21   3.019 -12.011 -10.357
  143    HB3  ALA  21           3HB      ALA  21   2.439 -10.751 -11.446
  144    HA   PRO  22           HA       PRO  22   2.882 -16.478 -12.244
  145    HB2  PRO  22           2HB      PRO  22   4.622 -17.696 -13.875
  146    HB3  PRO  22           1HB      PRO  22   3.190 -16.871 -14.503
  147    HG2  PRO  22           2HG      PRO  22   6.018 -15.887 -14.352
  148    HG3  PRO  22           1HG      PRO  22   4.882 -15.805 -15.712
  149    HD2  PRO  22           2HD      PRO  22   5.330 -13.714 -14.032
  150    HD3  PRO  22           1HD      PRO  22   3.772 -13.987 -14.839
  151    H    ALA  23           H        ALA  23   5.790 -14.813 -11.731
  152    HA   ALA  23           HA       ALA  23   6.668 -16.863  -9.823
  153    HB1  ALA  23           1HB      ALA  23   9.065 -15.962 -10.564
  154    HB2  ALA  23           2HB      ALA  23   8.211 -15.742 -12.092
  155    HB3  ALA  23           3HB      ALA  23   8.288 -17.339 -11.346
  156    H    CYS  24           H        CYS  24   7.981 -16.015  -8.068
  157    HA   CYS  24           HA       CYS  24   6.977 -13.661  -6.985
  158    HB2  CYS  24           2HB      CYS  24   8.264 -15.718  -5.944
  159    HB3  CYS  24           1HB      CYS  24   9.656 -14.658  -6.129
  160    HG   CYS  24           HG       CYS  24   8.557 -12.990  -4.489
  161    H    ASN  25           H        ASN  25   7.398 -11.618  -7.325
  162    HA   ASN  25           HA       ASN  25   9.280 -10.679  -9.185
  163    HB2  ASN  25           2HB      ASN  25   7.671  -9.298  -7.039
  164    HB3  ASN  25           1HB      ASN  25   8.721  -8.418  -8.145
  165   HD21  ASN  25          1HD2      ASN  25   5.726 -10.020  -7.731
  166   HD22  ASN  25          2HD2      ASN  25   5.092  -9.724  -9.311
  167    H    GLY  26           H        GLY  26   9.485 -11.286  -5.766
  168    HA2  GLY  26           2HA      GLY  26  11.919  -9.738  -5.464
  169    HA3  GLY  26           1HA      GLY  26  11.100 -10.650  -4.211
  170    H    CYS  27           H        CYS  27  11.102 -13.202  -5.009
  171    HA   CYS  27           HA       CYS  27  13.972 -13.771  -5.209
  172    HB2  CYS  27           2HB      CYS  27  13.504 -15.876  -4.108
  173    HB3  CYS  27           1HB      CYS  27  12.790 -14.559  -3.185
  174    HG   CYS  27           HG       CYS  27  11.263 -16.856  -3.834
  175    H    GLY  28           H        GLY  28  11.342 -13.786  -7.247
  176    HA2  GLY  28           2HA      GLY  28  11.102 -14.647  -9.353
  177    HA3  GLY  28           1HA      GLY  28  12.746 -15.244  -9.224
  178    H    CYS  29           H        CYS  29  10.851 -16.397  -6.675
  179    HA   CYS  29           HA       CYS  29  10.978 -19.064  -7.677
  180    HB2  CYS  29           2HB      CYS  29  10.138 -19.766  -5.611
  181    HB3  CYS  29           1HB      CYS  29  11.023 -18.299  -5.212
  182    HG   CYS  29           HG       CYS  29   8.030 -18.724  -4.892
  183    H    VAL  30           H        VAL  30   9.340 -20.413  -8.373
  184    HA   VAL  30           HA       VAL  30   7.184 -19.062  -9.727
  185    HB   VAL  30           HB       VAL  30   7.202 -22.010  -9.666
  186   HG11  VAL  30          1HG1      VAL  30   5.808 -21.472 -11.318
  187   HG12  VAL  30          2HG1      VAL  30   7.260 -21.155 -12.268
  188   HG13  VAL  30          3HG1      VAL  30   6.442 -19.831 -11.438
  189   HG21  VAL  30          1HG2      VAL  30   9.068 -21.974 -11.409
  190   HG22  VAL  30          2HG2      VAL  30   9.539 -21.811  -9.717
  191   HG23  VAL  30          3HG2      VAL  30   9.481 -20.388 -10.757
  192    H    PHE  31           H        PHE  31   5.066 -19.085  -9.271
  193    HA   PHE  31           HA       PHE  31   4.243 -20.001  -6.652
  194    HB2  PHE  31           2HB      PHE  31   2.705 -18.597  -8.852
  195    HB3  PHE  31           1HB      PHE  31   2.059 -18.967  -7.256
  196    HD1  PHE  31           1HD      PHE  31   3.027 -17.874  -5.256
  197    HD2  PHE  31           2HD      PHE  31   4.101 -16.724  -9.209
  198    HE1  PHE  31           1HE      PHE  31   3.921 -15.752  -4.392
  199    HE2  PHE  31           2HE      PHE  31   4.998 -14.600  -8.350
  200    HZ   PHE  31           HZ       PHE  31   4.910 -14.113  -5.938
  201    H    THR  32           H        THR  32   3.039 -21.703  -6.200
  202    HA   THR  32           HA       THR  32   1.990 -23.324  -8.423
  203    HB   THR  32           HB       THR  32   2.696 -25.345  -7.353
  204    HG1  THR  32           1HG      THR  32   4.117 -24.841  -5.345
  205   HG21  THR  32          1HG2      THR  32   5.164 -23.832  -6.818
  206   HG22  THR  32          2HG2      THR  32   4.490 -23.688  -8.441
  207   HG23  THR  32          3HG2      THR  32   4.899 -25.278  -7.793
  208    H    THR  33           H        THR  33   0.360 -24.970  -7.626
  209    HA   THR  33           HA       THR  33  -1.870 -23.762  -6.586
  210    HB   THR  33           HB       THR  33  -1.146 -26.677  -6.254
  211    HG1  THR  33           1HG      THR  33  -1.854 -26.971  -8.275
  212   HG21  THR  33          1HG2      THR  33  -3.215 -27.084  -5.588
  213   HG22  THR  33          2HG2      THR  33  -3.898 -26.092  -6.878
  214   HG23  THR  33          3HG2      THR  33  -3.402 -25.346  -5.360
  215    H    THR  34           H        THR  34   0.612 -25.557  -4.759
  216    HA   THR  34           HA       THR  34  -0.747 -25.315  -2.292
  217    HB   THR  34           HB       THR  34   2.222 -25.688  -2.762
  218    HG1  THR  34           1HG      THR  34   1.418 -27.952  -2.193
  219   HG21  THR  34          1HG2      THR  34   2.143 -26.876  -0.576
  220   HG22  THR  34          2HG2      THR  34   0.523 -26.222  -0.344
  221   HG23  THR  34          3HG2      THR  34   1.901 -25.132  -0.475
  222    H    VAL  35           H        VAL  35   1.633 -23.250  -3.917
  223    HA   VAL  35           HA       VAL  35   1.735 -21.457  -1.637
  224    HB   VAL  35           HB       VAL  35   2.960 -21.221  -4.383
  225   HG11  VAL  35          1HG1      VAL  35   4.234 -19.350  -3.481
  226   HG12  VAL  35          2HG1      VAL  35   3.366 -19.487  -1.951
  227   HG13  VAL  35          3HG1      VAL  35   2.502 -19.024  -3.418
  228   HG21  VAL  35          1HG2      VAL  35   3.729 -22.732  -2.133
  229   HG22  VAL  35          2HG2      VAL  35   4.840 -21.365  -2.238
  230   HG23  VAL  35          3HG2      VAL  35   4.643 -22.449  -3.616
  231    H    ARG  36           H        ARG  36   0.151 -20.144  -1.295
  232    HA   ARG  36           HA       ARG  36  -1.731 -19.302  -3.281
  233    HB2  ARG  36           2HB      ARG  36  -1.270 -18.322  -0.455
  234    HB3  ARG  36           1HB      ARG  36  -2.650 -17.900  -1.460
  235    HG2  ARG  36           2HG      ARG  36  -3.274 -20.289  -1.544
  236    HG3  ARG  36           1HG      ARG  36  -1.939 -20.643  -0.446
  237    HD2  ARG  36           2HD      ARG  36  -2.964 -19.065   1.191
  238    HD3  ARG  36           1HD      ARG  36  -4.350 -18.921   0.112
  239    HE   ARG  36           HE       ARG  36  -4.042 -21.615   0.546
  240   HH11  ARG  36          1HH1      ARG  36  -4.556 -18.798   2.526
  241   HH12  ARG  36          2HH1      ARG  36  -5.426 -19.658   3.753
  242   HH21  ARG  36          1HH2      ARG  36  -5.189 -22.759   2.155
  243   HH22  ARG  36          2HH2      ARG  36  -5.787 -21.910   3.541
  244    H    ARG  37           H        ARG  37  -1.996 -17.291  -4.191
  245    HA   ARG  37           HA       ARG  37   0.443 -15.771  -4.513
  246    HB2  ARG  37           2HB      ARG  37  -1.091 -16.330  -6.415
  247    HB3  ARG  37           1HB      ARG  37  -2.275 -15.236  -5.714
  248    HG2  ARG  37           2HG      ARG  37  -0.688 -13.383  -5.947
  249    HG3  ARG  37           1HG      ARG  37   0.474 -14.490  -6.681
  250    HD2  ARG  37           2HD      ARG  37  -2.260 -13.816  -7.761
  251    HD3  ARG  37           1HD      ARG  37  -0.723 -13.210  -8.378
  252    HE   ARG  37           HE       ARG  37  -0.322 -15.265  -9.362
  253   HH11  ARG  37          1HH1      ARG  37  -3.181 -15.406  -7.372
  254   HH12  ARG  37          2HH1      ARG  37  -3.681 -16.948  -7.978
  255   HH21  ARG  37          1HH2      ARG  37  -0.979 -17.294 -10.166
  256   HH22  ARG  37          2HH2      ARG  37  -2.431 -18.021  -9.565
  257    H    HIS  38           H        HIS  38   0.818 -13.697  -3.845
  258    HA   HIS  38           HA       HIS  38  -1.293 -12.305  -2.390
  259    HB2  HIS  38           2HB      HIS  38   1.423 -12.906  -1.203
  260    HB3  HIS  38           1HB      HIS  38   0.193 -11.879  -0.474
  261    HD1  HIS  38           1HD      HIS  38  -2.188 -13.242  -0.045
  262    HD2  HIS  38           2HD      HIS  38   1.308 -15.468  -0.354
  263    HE1  HIS  38           1HE      HIS  38  -2.712 -15.464   1.008
  264    HE2  HIS  38           2HE      HIS  38  -0.603 -16.820   0.748
  265    H    HIS  39           H        HIS  39  -0.576 -10.077  -1.754
  266    HA   HIS  39           HA       HIS  39   1.343  -8.979  -3.708
  267    HB2  HIS  39           2HB      HIS  39  -1.335  -7.791  -2.955
  268    HB3  HIS  39           1HB      HIS  39  -0.150  -7.046  -4.023
  269    HD1  HIS  39           1HD      HIS  39   0.346  -8.441  -6.292
  270    HD2  HIS  39           2HD      HIS  39  -3.096  -9.457  -4.195
  271    HE1  HIS  39           1HE      HIS  39  -1.078  -9.724  -7.919
  272    HE2  HIS  39           2HE      HIS  39  -3.146 -10.351  -6.622
  273    H    CYS  40           H        CYS  40   2.525  -7.168  -3.079
  274    HA   CYS  40           HA       CYS  40   2.727  -6.755  -0.196
  275    HB2  CYS  40           2HB      CYS  40   4.815  -7.144  -1.355
  276    HB3  CYS  40           1HB      CYS  40   4.438  -5.906  -2.547
  277    HG   CYS  40           HG       CYS  40   5.312  -4.173  -1.041
  278    H    ARG  41           H        ARG  41   2.188  -4.870   0.786
  279    HA   ARG  41           HA       ARG  41   0.347  -3.164  -0.527
  280    HB2  ARG  41           2HB      ARG  41   1.653  -2.966   2.185
  281    HB3  ARG  41           1HB      ARG  41   0.346  -1.924   1.640
  282    HG2  ARG  41           2HG      ARG  41   0.158  -4.922   1.838
  283    HG3  ARG  41           1HG      ARG  41  -0.392  -3.797   3.083
  284    HD2  ARG  41           2HD      ARG  41  -1.890  -2.757   1.405
  285    HD3  ARG  41           1HD      ARG  41  -1.404  -3.994   0.250
  286    HE   ARG  41           HE       ARG  41  -2.353  -5.627   1.893
  287   HH11  ARG  41          1HH1      ARG  41  -3.489  -2.323   1.794
  288   HH12  ARG  41          2HH1      ARG  41  -5.049  -2.712   2.432
  289   HH21  ARG  41          1HH2      ARG  41  -4.406  -6.133   2.730
  290   HH22  ARG  41          2HH2      ARG  41  -5.570  -4.872   2.964
  291    H    ASN  42           H        ASN  42   3.685  -3.105  -0.566
  292    HA   ASN  42           HA       ASN  42   3.820  -0.189  -0.813
  293    HB2  ASN  42           2HB      ASN  42   5.929  -2.301  -0.401
  294    HB3  ASN  42           1HB      ASN  42   6.332  -0.642  -0.816
  295   HD21  ASN  42          1HD2      ASN  42   6.326  -2.614   1.659
  296   HD22  ASN  42          2HD2      ASN  42   5.908  -1.544   2.948
  297    H    CYS  43           H        CYS  43   5.536  -2.852  -2.452
  298    HA   CYS  43           HA       CYS  43   5.786  -1.293  -4.829
  299    HB2  CYS  43           2HB      CYS  43   6.902  -3.264  -5.765
  300    HB3  CYS  43           1HB      CYS  43   7.535  -2.857  -4.176
  301    HG   CYS  43           HG       CYS  43   7.174  -5.248  -3.743
  302    H    GLY  44           H        GLY  44   3.485  -3.613  -3.694
  303    HA2  GLY  44           2HA      GLY  44   1.449  -4.210  -4.602
  304    HA3  GLY  44           1HA      GLY  44   1.763  -3.082  -5.912
  305    H    TYR  45           H        TYR  45   4.131  -5.493  -5.276
  306    HA   TYR  45           HA       TYR  45   3.414  -6.827  -7.786
  307    HB2  TYR  45           2HB      TYR  45   5.967  -7.016  -6.173
  308    HB3  TYR  45           1HB      TYR  45   5.685  -7.730  -7.753
  309    HD1  TYR  45           2HD      TYR  45   4.340  -5.500  -9.162
  310    HD2  TYR  45           1HD      TYR  45   7.687  -5.486  -6.536
  311    HE1  TYR  45           2HE      TYR  45   5.174  -3.453 -10.242
  312    HE2  TYR  45           1HE      TYR  45   8.529  -3.441  -7.607
  313    HH   TYR  45           HH       TYR  45   7.050  -2.134 -10.493
  314    H    VAL  46           H        VAL  46   3.675  -9.173  -7.884
  315    HA   VAL  46           HA       VAL  46   2.230 -10.385  -5.733
  316    HB   VAL  46           HB       VAL  46   3.478 -11.700  -8.154
  317   HG11  VAL  46          1HG1      VAL  46   3.021 -13.190  -6.181
  318   HG12  VAL  46          2HG1      VAL  46   2.167 -13.621  -7.664
  319   HG13  VAL  46          3HG1      VAL  46   1.315 -12.783  -6.366
  320   HG21  VAL  46          1HG2      VAL  46   0.746 -11.732  -8.468
  321   HG22  VAL  46          2HG2      VAL  46   1.859 -10.611  -9.252
  322   HG23  VAL  46          3HG2      VAL  46   1.044 -10.144  -7.759
  323    H    LEU  47           H        LEU  47   2.978 -11.493  -4.034
  324    HA   LEU  47           HA       LEU  47   5.757 -12.463  -4.085
  325    HB2  LEU  47           2HB      LEU  47   4.408 -10.850  -1.925
  326    HB3  LEU  47           1HB      LEU  47   5.814 -11.839  -1.605
  327    HG   LEU  47           HG       LEU  47   6.410  -9.496  -1.886
  328   HD11  LEU  47          1HD1      LEU  47   7.754 -10.160  -4.236
  329   HD12  LEU  47          2HD1      LEU  47   7.497 -11.681  -3.385
  330   HD13  LEU  47          3HD1      LEU  47   8.325 -10.351  -2.579
  331   HD21  LEU  47          1HD2      LEU  47   4.472  -9.316  -3.707
  332   HD22  LEU  47          2HD2      LEU  47   5.856  -9.517  -4.782
  333   HD23  LEU  47          3HD2      LEU  47   5.824  -8.186  -3.623
  334    H    CYS  48           H        CYS  48   6.088 -14.411  -3.126
  335    HA   CYS  48           HA       CYS  48   3.749 -15.961  -2.435
  336    HB2  CYS  48           2HB      CYS  48   5.163 -17.861  -2.443
  337    HB3  CYS  48           1HB      CYS  48   5.805 -16.832  -3.721
  338    HG   CYS  48           HG       CYS  48   7.336 -17.775  -1.342
  339    H    GLY  49           H        GLY  49   4.080 -17.429  -0.329
  340    HA2  GLY  49           2HA      GLY  49   3.805 -15.783   1.863
  341    HA3  GLY  49           1HA      GLY  49   4.250 -17.482   1.961
  342    H    ASP  50           H        ASP  50   6.705 -17.662   1.009
  343    HA   ASP  50           HA       ASP  50   8.343 -16.786   3.066
  344    HB2  ASP  50           2HB      ASP  50   8.955 -17.761   0.287
  345    HB3  ASP  50           1HB      ASP  50  10.234 -17.311   1.408
  346    H    CYS  51           H        CYS  51   7.651 -15.203   0.024
  347    HA   CYS  51           HA       CYS  51   9.651 -13.159   0.544
  348    HB2  CYS  51           2HB      CYS  51   7.966 -13.918  -1.776
  349    HB3  CYS  51           1HB      CYS  51   8.423 -12.222  -1.644
  350    HG   CYS  51           HG       CYS  51  10.784 -12.789  -2.171
  351    H    SER  52           H        SER  52   6.596 -13.725   1.612
  352    HA   SER  52           HA       SER  52   6.134 -10.868   2.067
  353    HB2  SER  52           2HB      SER  52   3.770 -11.094   1.688
  354    HB3  SER  52           1HB      SER  52   4.594 -11.764   0.280
  355    HG   SER  52           HG       SER  52   3.750 -13.634   0.712
  356    H    ARG  53           H        ARG  53   7.343 -13.080   3.626
  357    HA   ARG  53           HA       ARG  53   5.436 -13.695   5.701
  358    HB2  ARG  53           2HB      ARG  53   8.372 -14.276   5.367
  359    HB3  ARG  53           1HB      ARG  53   7.529 -14.619   6.873
  360    HG2  ARG  53           2HG      ARG  53   5.939 -16.029   5.530
  361    HG3  ARG  53           1HG      ARG  53   7.032 -15.815   4.164
  362    HD2  ARG  53           2HD      ARG  53   8.861 -16.769   5.521
  363    HD3  ARG  53           1HD      ARG  53   7.704 -17.071   6.818
  364    HE   ARG  53           HE       ARG  53   8.005 -18.562   4.365
  365   HH11  ARG  53          1HH1      ARG  53   5.929 -17.794   7.054
  366   HH12  ARG  53          2HH1      ARG  53   4.961 -19.221   6.882
  367   HH21  ARG  53          1HH2      ARG  53   6.738 -20.445   4.132
  368   HH22  ARG  53          2HH2      ARG  53   5.421 -20.727   5.223
  369    H    HIS  54           H        HIS  54   7.675 -11.143   5.044
  370    HA   HIS  54           HA       HIS  54   8.026 -10.384   7.788
  371    HB2  HIS  54           2HB      HIS  54   8.629  -8.958   5.198
  372    HB3  HIS  54           1HB      HIS  54   8.969  -8.269   6.774
  373    HD1  HIS  54           1HD      HIS  54  10.359 -10.368   8.286
  374    HD2  HIS  54           2HD      HIS  54  10.946  -9.893   4.203
  375    HE1  HIS  54           1HE      HIS  54  12.589 -11.423   7.802
  376    HE2  HIS  54           2HE      HIS  54  12.965 -11.040   5.340
  377    H    ARG  55           H        ARG  55   7.415  -8.214   8.552
  378    HA   ARG  55           HA       ARG  55   4.927  -7.197   7.403
  379    HB2  ARG  55           2HB      ARG  55   5.261  -7.835  10.343
  380    HB3  ARG  55           1HB      ARG  55   3.849  -7.104   9.587
  381    HG2  ARG  55           2HG      ARG  55   3.506  -9.146   8.273
  382    HG3  ARG  55           1HG      ARG  55   4.884  -9.886   9.094
  383    HD2  ARG  55           2HD      ARG  55   3.680  -9.454  11.260
  384    HD3  ARG  55           1HD      ARG  55   2.272  -8.999  10.301
  385    HE   ARG  55           HE       ARG  55   3.114 -11.509   9.433
  386   HH11  ARG  55          1HH1      ARG  55   1.802 -10.026  12.296
  387   HH12  ARG  55          2HH1      ARG  55   1.002 -11.464  12.834
  388   HH21  ARG  55          1HH2      ARG  55   2.067 -13.413  10.132
  389   HH22  ARG  55          2HH2      ARG  55   1.154 -13.391  11.604
  390    H    ALA  56           H        ALA  56   4.763  -5.033   7.471
  391    HA   ALA  56           HA       ALA  56   6.353  -3.463   9.320
  392    HB1  ALA  56           1HB      ALA  56   7.003  -3.580   6.396
  393    HB2  ALA  56           2HB      ALA  56   8.084  -3.756   7.778
  394    HB3  ALA  56           3HB      ALA  56   7.409  -2.176   7.382
  395    H    ALA  57           H        ALA  57   5.841  -1.209   9.326
  396    HA   ALA  57           HA       ALA  57   3.173  -0.662   8.274
  397    HB1  ALA  57           1HB      ALA  57   4.891   0.741  10.319
  398    HB2  ALA  57           2HB      ALA  57   3.414  -0.181  10.602
  399    HB3  ALA  57           3HB      ALA  57   3.340   1.363   9.755
  400    H    ILE  58           H        ILE  58   2.761   1.207   6.994
  401    HA   ILE  58           HA       ILE  58   5.147   2.440   5.800
  402    HB   ILE  58           HB       ILE  58   2.702   1.947   4.156
  403   HG12  ILE  58          2HG1      ILE  58   4.903  -0.102   4.476
  404   HG13  ILE  58          1HG1      ILE  58   3.364  -0.209   5.324
  405   HG21  ILE  58          1HG2      ILE  58   5.637   1.940   3.468
  406   HG22  ILE  58          2HG2      ILE  58   4.583   3.348   3.352
  407   HG23  ILE  58          3HG2      ILE  58   4.283   1.936   2.342
  408   HD11  ILE  58          1HD1      ILE  58   3.087   0.165   2.447
  409   HD12  ILE  58          2HD1      ILE  58   2.309  -0.990   3.529
  410   HD13  ILE  58          3HD1      ILE  58   3.924  -1.319   2.903
  411    HA   PRO  59           HA       PRO  59   2.258   5.651   7.519
  412    HB2  PRO  59           2HB      PRO  59   4.826   7.012   7.999
  413    HB3  PRO  59           1HB      PRO  59   3.486   6.721   9.107
  414    HG2  PRO  59           2HG      PRO  59   5.790   5.365   9.308
  415    HG3  PRO  59           1HG      PRO  59   4.226   4.608   9.664
  416    HD2  PRO  59           2HD      PRO  59   5.945   4.362   7.226
  417    HD3  PRO  59           1HD      PRO  59   4.998   3.118   8.069
  418    H    MET  60           H        MET  60   4.458   5.509   4.911
  419    HA   MET  60           HA       MET  60   3.869   8.255   4.091
  420    HB2  MET  60           2HB      MET  60   5.658   6.121   2.901
  421    HB3  MET  60           1HB      MET  60   5.432   7.726   2.219
  422    HG2  MET  60           2HG      MET  60   6.317   8.691   4.320
  423    HG3  MET  60           1HG      MET  60   6.643   7.055   4.889
  424    HE1  MET  60           1HE      MET  60   6.908   9.162   1.759
  425    HE2  MET  60           2HE      MET  60   8.568   8.975   1.199
  426    HE3  MET  60           3HE      MET  60   8.215  10.017   2.577
  427    H    ARG  61           H        ARG  61   3.316   4.919   3.346
  428    HA   ARG  61           HA       ARG  61   1.679   5.513   1.007
  429    HB2  ARG  61           2HB      ARG  61   2.354   2.867   2.296
  430    HB3  ARG  61           1HB      ARG  61   1.527   3.085   0.761
  431    HG2  ARG  61           2HG      ARG  61   3.632   4.383   0.050
  432    HG3  ARG  61           1HG      ARG  61   4.392   3.624   1.442
  433    HD2  ARG  61           2HD      ARG  61   4.897   2.087  -0.170
  434    HD3  ARG  61           1HD      ARG  61   3.355   1.441   0.391
  435    HE   ARG  61           HE       ARG  61   3.889   2.752  -2.151
  436   HH11  ARG  61          1HH1      ARG  61   1.532   1.404   0.039
  437   HH12  ARG  61          2HH1      ARG  61   0.285   1.320  -1.158
  438   HH21  ARG  61          1HH2      ARG  61   2.252   2.638  -3.726
  439   HH22  ARG  61          2HH2      ARG  61   0.692   2.019  -3.296
  440    H    GLY  62           H        GLY  62   0.834   6.398   3.668
  441    HA2  GLY  62           2HA      GLY  62  -1.157   6.614   4.790
  442    HA3  GLY  62           1HA      GLY  62  -1.901   5.725   3.471
  443    H    ILE  63           H        ILE  63   0.698   4.261   5.274
  444    HA   ILE  63           HA       ILE  63  -1.279   2.594   6.687
  445    HB   ILE  63           HB       ILE  63   1.325   1.696   5.442
  446   HG12  ILE  63          2HG1      ILE  63  -1.516   0.893   4.785
  447   HG13  ILE  63          1HG1      ILE  63  -0.589   2.083   3.877
  448   HG21  ILE  63          1HG2      ILE  63  -0.648   0.235   7.174
  449   HG22  ILE  63          2HG2      ILE  63   1.085   0.442   7.423
  450   HG23  ILE  63          3HG2      ILE  63   0.500  -0.596   6.122
  451   HD11  ILE  63          1HD1      ILE  63  -0.741  -0.392   3.077
  452   HD12  ILE  63          2HD1      ILE  63   0.539  -0.641   4.264
  453   HD13  ILE  63          3HD1      ILE  63   0.773   0.502   2.941
  454    H    THR  64           H        THR  64  -1.128   3.532   8.688
  455    HA   THR  64           HA       THR  64   1.478   4.119   9.819
  456    HB   THR  64           HB       THR  64   0.176   4.962  11.763
  457    HG1  THR  64           1HG      THR  64  -1.702   3.458  10.868
  458   HG21  THR  64          1HG2      THR  64  -1.137   6.166   9.390
  459   HG22  THR  64          2HG2      THR  64   0.619   6.273   9.536
  460   HG23  THR  64          3HG2      THR  64  -0.414   6.938  10.802
  461    H    GLU  65           H        GLU  65  -0.719   1.510   9.818
  462    HA   GLU  65           HA       GLU  65   0.475   0.383  12.252
  463    HB2  GLU  65           2HB      GLU  65  -1.965  -0.416  10.652
  464    HB3  GLU  65           1HB      GLU  65  -1.332  -1.355  11.998
  465    HG2  GLU  65           2HG      GLU  65  -1.561   1.111  13.118
  466    HG3  GLU  65           1HG      GLU  65  -2.917   1.103  11.990
  467    HA   PRO  66           HA       PRO  66   3.187  -2.098   9.858
  468    HB2  PRO  66           2HB      PRO  66   2.615  -4.280  11.803
  469    HB3  PRO  66           1HB      PRO  66   4.167  -3.585  11.326
  470    HG2  PRO  66           2HG      PRO  66   3.067  -3.016  13.698
  471    HG3  PRO  66           1HG      PRO  66   3.965  -1.795  12.779
  472    HD2  PRO  66           2HD      PRO  66   1.019  -2.111  13.139
  473    HD3  PRO  66           1HD      PRO  66   1.989  -0.629  13.008
  474    H    GLU  67           H        GLU  67   2.667  -2.983   8.001
  475    HA   GLU  67           HA       GLU  67   0.538  -5.010   7.915
  476    HB2  GLU  67           2HB      GLU  67   1.115  -2.854   5.877
  477    HB3  GLU  67           1HB      GLU  67  -0.041  -4.154   5.653
  478    HG2  GLU  67           2HG      GLU  67  -1.286  -3.321   7.625
  479    HG3  GLU  67           1HG      GLU  67  -0.172  -1.957   7.699
  480    H    ARG  68           H        ARG  68   0.674  -6.376   5.915
  481    HA   ARG  68           HA       ARG  68   3.235  -7.576   5.786
  482    HB2  ARG  68           2HB      ARG  68   2.201  -9.074   4.126
  483    HB3  ARG  68           1HB      ARG  68   1.241  -8.904   5.590
  484    HG2  ARG  68           2HG      ARG  68  -0.132  -7.191   4.365
  485    HG3  ARG  68           1HG      ARG  68   0.724  -7.669   2.898
  486    HD2  ARG  68           2HD      ARG  68  -1.288  -8.908   2.922
  487    HD3  ARG  68           1HD      ARG  68  -0.012 -10.032   3.386
  488    HE   ARG  68           HE       ARG  68  -1.090  -8.929   5.714
  489   HH11  ARG  68          1HH1      ARG  68  -2.025 -11.030   3.101
  490   HH12  ARG  68          2HH1      ARG  68  -3.176 -11.910   4.048
  491   HH21  ARG  68          1HH2      ARG  68  -2.604 -10.078   6.972
  492   HH22  ARG  68          2HH2      ARG  68  -3.508 -11.368   6.249
  493    H    VAL  69           H        VAL  69   4.793  -7.515   4.339
  494    HA   VAL  69           HA       VAL  69   4.486  -6.121   1.785
  495    HB   VAL  69           HB       VAL  69   6.539  -4.824   2.115
  496   HG11  VAL  69          1HG1      VAL  69   4.269  -4.343   4.018
  497   HG12  VAL  69          2HG1      VAL  69   4.563  -3.603   2.443
  498   HG13  VAL  69          3HG1      VAL  69   5.596  -3.197   3.815
  499   HG21  VAL  69          1HG2      VAL  69   6.491  -6.185   4.763
  500   HG22  VAL  69          2HG2      VAL  69   7.141  -4.549   4.667
  501   HG23  VAL  69          3HG2      VAL  69   7.851  -5.839   3.694
  502    H    CYS  70           H        CYS  70   6.860  -6.222   0.724
  503    HA   CYS  70           HA       CYS  70   7.627  -9.036   0.884
  504    HB2  CYS  70           2HB      CYS  70   8.377  -8.912  -1.308
  505    HB3  CYS  70           1HB      CYS  70   7.009  -7.809  -1.326
  506    HG   CYS  70           HG       CYS  70   9.512  -7.005  -2.357
  507    H    ASP  71           H        ASP  71  10.218  -8.879  -0.120
  508    HA   ASP  71           HA       ASP  71  11.586  -8.062   2.281
  509    HB2  ASP  71           2HB      ASP  71  12.654  -9.247  -0.291
  510    HB3  ASP  71           1HB      ASP  71  13.619  -8.965   1.153
  511    H    ALA  72           H        ALA  72  11.586  -6.895  -1.076
  512    HA   ALA  72           HA       ALA  72  13.640  -4.982  -0.651
  513    HB1  ALA  72           1HB      ALA  72  11.555  -4.568  -2.739
  514    HB2  ALA  72           2HB      ALA  72  12.638  -5.953  -2.863
  515    HB3  ALA  72           3HB      ALA  72  13.299  -4.318  -2.821
  516    H    CYS  73           H        CYS  73  10.105  -4.702  -0.643
  517    HA   CYS  73           HA       CYS  73  10.012  -1.925  -0.192
  518    HB2  CYS  73           2HB      CYS  73   7.958  -3.981   0.642
  519    HB3  CYS  73           1HB      CYS  73   7.686  -2.262   0.369
  520    HG   CYS  73           HG       CYS  73   8.182  -2.729  -2.198
  521    H    TYR  74           H        TYR  74  10.040  -4.702   2.001
  522    HA   TYR  74           HA       TYR  74   9.612  -3.323   4.394
  523    HB2  TYR  74           2HB      TYR  74   9.657  -5.793   4.238
  524    HB3  TYR  74           1HB      TYR  74  11.389  -5.737   3.935
  525    HD1  TYR  74           2HD      TYR  74   8.762  -5.251   6.467
  526    HD2  TYR  74           1HD      TYR  74  12.950  -5.373   5.724
  527    HE1  TYR  74           2HE      TYR  74   9.185  -5.346   8.888
  528    HE2  TYR  74           1HE      TYR  74  13.383  -5.469   8.141
  529    HH   TYR  74           HH       TYR  74  12.496  -5.395  10.174
  530    H    LEU  75           H        LEU  75  12.505  -3.862   2.485
  531    HA   LEU  75           HA       LEU  75  14.312  -2.632   4.316
  532    HB2  LEU  75           2HB      LEU  75  14.448  -3.531   1.472
  533    HB3  LEU  75           1HB      LEU  75  15.736  -2.545   2.127
  534    HG   LEU  75           HG       LEU  75  14.857  -5.124   3.414
  535   HD11  LEU  75          1HD1      LEU  75  15.572  -5.537   1.090
  536   HD12  LEU  75          2HD1      LEU  75  16.672  -6.234   2.279
  537   HD13  LEU  75          3HD1      LEU  75  17.106  -4.741   1.444
  538   HD21  LEU  75          1HD2      LEU  75  17.052  -5.022   4.462
  539   HD22  LEU  75          2HD2      LEU  75  16.123  -3.566   4.817
  540   HD23  LEU  75          3HD2      LEU  75  17.405  -3.521   3.607
  541    H    ALA  76           H        ALA  76  13.016  -1.524   1.175
  542    HA   ALA  76           HA       ALA  76  14.201   0.937   1.065
  543    HB1  ALA  76           1HB      ALA  76  12.862   0.082  -0.769
  544    HB2  ALA  76           2HB      ALA  76  12.289   1.684  -0.307
  545    HB3  ALA  76           3HB      ALA  76  11.395   0.248   0.193
  546    H    LEU  77           H        LEU  77  11.144   0.137   2.682
  547    HA   LEU  77           HA       LEU  77  10.729   2.753   3.717
  548    HB2  LEU  77           2HB      LEU  77   9.747   0.078   4.727
  549    HB3  LEU  77           1HB      LEU  77   9.162   1.634   5.276
  550    HG   LEU  77           HG       LEU  77   8.937   0.669   2.425
  551   HD11  LEU  77          1HD1      LEU  77   6.550   0.311   2.970
  552   HD12  LEU  77          2HD1      LEU  77   6.930   0.581   4.670
  553   HD13  LEU  77          3HD1      LEU  77   7.635  -0.792   3.816
  554   HD21  LEU  77          1HD2      LEU  77   8.867   3.058   2.541
  555   HD22  LEU  77          2HD2      LEU  77   7.757   3.014   3.910
  556   HD23  LEU  77          3HD2      LEU  77   7.213   2.483   2.317
  557    H    ARG  78           H        ARG  78  12.263  -0.171   4.871
  558    HA   ARG  78           HA       ARG  78  12.907   0.531   7.471
  559    HB2  ARG  78           2HB      ARG  78  13.164  -1.721   6.458
  560    HB3  ARG  78           1HB      ARG  78  14.548  -1.132   5.550
  561    HG2  ARG  78           2HG      ARG  78  15.609  -0.590   7.778
  562    HG3  ARG  78           1HG      ARG  78  14.294  -1.513   8.508
  563    HD2  ARG  78           2HD      ARG  78  14.931  -3.445   7.083
  564    HD3  ARG  78           1HD      ARG  78  16.319  -2.518   6.518
  565    HE   ARG  78           HE       ARG  78  16.282  -2.660   9.350
  566   HH11  ARG  78          1HH1      ARG  78  16.971  -4.531   6.497
  567   HH12  ARG  78          2HH1      ARG  78  18.123  -5.554   7.285
  568   HH21  ARG  78          1HH2      ARG  78  17.801  -4.006  10.403
  569   HH22  ARG  78          2HH2      ARG  78  18.595  -5.256   9.505
  570    H    SER  79           H        SER  79  14.151   1.787   4.510
  571    HA   SER  79           HA       SER  79  16.756   2.484   5.257
  572    HB2  SER  79           2HB      SER  79  15.759   2.648   2.944
  573    HB3  SER  79           1HB      SER  79  14.932   4.112   3.477
  574    HG   SER  79           HG       SER  79  17.735   3.774   3.671
  575    H    SER  80           H        SER  80  13.662   4.077   5.823
  576    HA   SER  80           HA       SER  80  14.849   6.410   7.009
  577    HB2  SER  80           2HB      SER  80  12.625   7.174   7.367
  578    HB3  SER  80           1HB      SER  80  12.593   6.319   5.824
  579    HG   SER  80           HG       SER  80  10.977   5.326   6.763
  580    H    ASN  81           H        ASN  81  14.470   7.064   9.246
  581    HA   ASN  81           HA       ASN  81  14.805   4.788  11.048
  582    HB2  ASN  81           2HB      ASN  81  16.436   6.735  11.003
  583    HB3  ASN  81           1HB      ASN  81  15.158   7.709  11.725
  584   HD21  ASN  81          1HD2      ASN  81  16.834   7.938  13.403
  585   HD22  ASN  81          2HD2      ASN  81  16.895   6.753  14.658
  586    H    MET  82           H        MET  82  13.207   4.104  12.303
  587    HA   MET  82           HA       MET  82  10.742   5.610  12.451
  588    HB2  MET  82           2HB      MET  82  11.523   2.912  13.568
  589    HB3  MET  82           1HB      MET  82   9.918   3.614  13.712
  590    HG2  MET  82           2HG      MET  82   9.787   3.685  11.235
  591    HG3  MET  82           1HG      MET  82  11.330   2.834  11.173
  592    HE1  MET  82           1HE      MET  82   8.008   2.099  13.555
  593    HE2  MET  82           2HE      MET  82   7.223   1.196  12.261
  594    HE3  MET  82           3HE      MET  82   7.692   2.877  12.004
  595    H    ALA  83           H        ALA  83  10.125   6.879  14.077
  596    HA   ALA  83           HA       ALA  83  11.858   7.563  16.182
  597    HB1  ALA  83           1HB      ALA  83  10.463   9.300  15.802
  598    HB2  ALA  83           2HB      ALA  83   9.523   8.528  17.079
  599    HB3  ALA  83           3HB      ALA  83   9.101   8.261  15.387
  600    H    GLY  84           H        GLY  84  11.823   7.114  18.375
  601    HA2  GLY  84           2HA      GLY  84  10.352   6.058  20.172
  602    HA3  GLY  84           1HA      GLY  84  10.335   4.671  19.092
  Start of MODEL   12
    1    H1   GLY   1           1HT      GLY   1 -12.503   0.601 -28.695
    2    H2   GLY   1           2HT      GLY   1 -12.538   2.292 -28.659
    3    H3   GLY   1           3HT      GLY   1 -13.607   1.405 -27.695
    4    HA2  GLY   1           1HA      GLY   1 -11.809   0.557 -26.362
    5    HA3  GLY   1           2HA      GLY   1 -10.654   1.374 -27.405
    6    HA   PRO   2           HA       PRO   2 -13.217   4.563 -24.591
    7    HB2  PRO   2           2HB      PRO   2 -12.947   2.873 -22.162
    8    HB3  PRO   2           1HB      PRO   2 -14.276   3.925 -22.660
    9    HG2  PRO   2           2HG      PRO   2 -14.492   1.273 -22.839
   10    HG3  PRO   2           1HG      PRO   2 -15.180   2.335 -24.082
   11    HD2  PRO   2           2HD      PRO   2 -12.685   0.690 -24.160
   12    HD3  PRO   2           1HD      PRO   2 -13.857   1.024 -25.450
   13    H    LEU   3           H        LEU   3 -12.056   6.122 -23.510
   14    HA   LEU   3           HA       LEU   3  -9.263   5.938 -23.476
   15    HB2  LEU   3           2HB      LEU   3 -11.002   7.855 -21.919
   16    HB3  LEU   3           1HB      LEU   3  -9.304   8.076 -22.296
   17    HG   LEU   3           HG       LEU   3 -11.596   8.061 -24.260
   18   HD11  LEU   3          1HD1      LEU   3  -9.970  10.381 -24.380
   19   HD12  LEU   3          2HD1      LEU   3 -10.409  10.109 -22.693
   20   HD13  LEU   3          3HD1      LEU   3 -11.668  10.249 -23.920
   21   HD21  LEU   3          1HD2      LEU   3  -9.913   8.571 -25.957
   22   HD22  LEU   3          2HD2      LEU   3  -9.636   6.987 -25.233
   23   HD23  LEU   3          3HD2      LEU   3  -8.636   8.362 -24.759
   24    H    GLY   4           H        GLY   4 -11.658   5.446 -20.943
   25    HA2  GLY   4           2HA      GLY   4 -11.453   4.233 -18.983
   26    HA3  GLY   4           1HA      GLY   4  -9.773   3.920 -19.394
   27    H    SER   5           H        SER   5  -9.581   4.275 -17.011
   28    HA   SER   5           HA       SER   5  -9.959   6.829 -15.872
   29    HB2  SER   5           2HB      SER   5  -8.038   4.642 -15.038
   30    HB3  SER   5           1HB      SER   5  -8.536   6.010 -14.043
   31    HG   SER   5           HG       SER   5 -10.145   3.879 -14.993
   32    H    MET   6           H        MET   6  -8.412   8.434 -15.323
   33    HA   MET   6           HA       MET   6  -6.663   9.146 -17.390
   34    HB2  MET   6           2HB      MET   6  -7.691  10.730 -15.767
   35    HB3  MET   6           1HB      MET   6  -6.597  10.123 -14.532
   36    HG2  MET   6           2HG      MET   6  -4.689  10.854 -15.928
   37    HG3  MET   6           1HG      MET   6  -5.838  11.561 -17.062
   38    HE1  MET   6           1HE      MET   6  -4.765  13.066 -12.872
   39    HE2  MET   6           2HE      MET   6  -4.180  11.606 -13.674
   40    HE3  MET   6           3HE      MET   6  -5.802  11.642 -12.980
   41    H    GLY   7           H        GLY   7  -6.111   7.419 -14.375
   42    HA2  GLY   7           2HA      GLY   7  -3.655   6.328 -15.363
   43    HA3  GLY   7           1HA      GLY   7  -3.378   7.537 -14.119
   44    H    GLU   8           H        GLU   8  -2.380   5.461 -13.205
   45    HA   GLU   8           HA       GLU   8  -4.279   3.600 -12.059
   46    HB2  GLU   8           2HB      GLU   8  -2.430   2.333 -11.355
   47    HB3  GLU   8           1HB      GLU   8  -1.930   3.013 -12.898
   48    HG2  GLU   8           2HG      GLU   8  -0.734   4.799 -11.660
   49    HG3  GLU   8           1HG      GLU   8  -1.142   3.971 -10.158
   50    H    LYS   9           H        LYS   9  -3.757   6.631 -11.283
   51    HA   LYS   9           HA       LYS   9  -3.045   6.669  -8.572
   52    HB2  LYS   9           2HB      LYS   9  -3.264   8.686 -10.021
   53    HB3  LYS   9           1HB      LYS   9  -5.010   8.483  -9.991
   54    HG2  LYS   9           2HG      LYS   9  -4.994   8.800  -7.560
   55    HG3  LYS   9           1HG      LYS   9  -3.247   9.043  -7.615
   56    HD2  LYS   9           2HD      LYS   9  -3.623  10.960  -9.156
   57    HD3  LYS   9           1HD      LYS   9  -5.360  10.754  -8.920
   58    HE2  LYS   9           2HE      LYS   9  -5.316  11.788  -6.941
   59    HE3  LYS   9           1HE      LYS   9  -3.901  10.879  -6.411
   60    HZ1  LYS   9           1HZ      LYS   9  -3.728  13.169  -8.284
   61    HZ2  LYS   9           2HZ      LYS   9  -2.465  12.417  -7.447
   62    HZ3  LYS   9           3HZ      LYS   9  -3.602  13.346  -6.606
   63    H    GLN  10           H        GLN  10  -5.757   5.444 -10.192
   64    HA   GLN  10           HA       GLN  10  -7.865   5.720  -8.442
   65    HB2  GLN  10           2HB      GLN  10  -8.070   4.711 -10.649
   66    HB3  GLN  10           1HB      GLN  10  -7.092   3.340 -10.142
   67    HG2  GLN  10           2HG      GLN  10  -8.830   2.712  -8.532
   68    HG3  GLN  10           1HG      GLN  10  -9.808   4.078  -9.066
   69   HE21  GLN  10          1HE2      GLN  10 -10.912   1.637  -9.178
   70   HE22  GLN  10          2HE2      GLN  10 -11.034   1.088 -10.811
   71    H    SER  11           H        SER  11  -5.158   3.457  -8.308
   72    HA   SER  11           HA       SER  11  -6.088   2.620  -5.639
   73    HB2  SER  11           2HB      SER  11  -4.506   0.971  -7.626
   74    HB3  SER  11           1HB      SER  11  -5.033   0.443  -6.029
   75    HG   SER  11           HG       SER  11  -6.847   1.332  -8.010
   76    H    LYS  12           H        LYS  12  -4.560   2.409  -4.007
   77    HA   LYS  12           HA       LYS  12  -2.421   4.209  -4.023
   78    HB2  LYS  12           2HB      LYS  12  -2.913   1.830  -2.220
   79    HB3  LYS  12           1HB      LYS  12  -1.737   3.100  -1.906
   80    HG2  LYS  12           2HG      LYS  12  -3.587   4.744  -1.873
   81    HG3  LYS  12           1HG      LYS  12  -4.728   3.410  -2.056
   82    HD2  LYS  12           2HD      LYS  12  -3.797   2.417   0.034
   83    HD3  LYS  12           1HD      LYS  12  -2.820   3.873   0.235
   84    HE2  LYS  12           2HE      LYS  12  -5.213   5.014  -0.084
   85    HE3  LYS  12           1HE      LYS  12  -5.734   3.466   0.585
   86    HZ1  LYS  12           1HZ      LYS  12  -4.708   3.876   2.573
   87    HZ2  LYS  12           2HZ      LYS  12  -5.160   5.449   2.146
   88    HZ3  LYS  12           3HZ      LYS  12  -3.565   4.936   1.914
   89    H    GLY  13           H        GLY  13  -2.555   0.753  -4.680
   90    HA2  GLY  13           2HA      GLY  13   0.181   0.932  -5.748
   91    HA3  GLY  13           1HA      GLY  13  -0.224  -0.363  -4.631
   92    H    TYR  14           H        TYR  14   0.582  -0.280  -7.558
   93    HA   TYR  14           HA       TYR  14  -1.729  -1.256  -8.958
   94    HB2  TYR  14           2HB      TYR  14   0.017  -0.033 -10.149
   95    HB3  TYR  14           1HB      TYR  14   1.185  -1.288  -9.749
   96    HD1  TYR  14           2HD      TYR  14  -1.902  -0.588 -11.669
   97    HD2  TYR  14           1HD      TYR  14   1.360  -3.250 -11.061
   98    HE1  TYR  14           2HE      TYR  14  -2.520  -1.804 -13.715
   99    HE2  TYR  14           1HE      TYR  14   0.752  -4.474 -13.104
  100    HH   TYR  14           HH       TYR  14  -1.990  -3.445 -15.114
  101    H    TRP  15           H        TRP  15  -2.486  -3.246  -8.894
  102    HA   TRP  15           HA       TRP  15  -0.918  -5.380  -7.675
  103    HB2  TRP  15           2HB      TRP  15  -2.991  -6.639  -7.643
  104    HB3  TRP  15           1HB      TRP  15  -3.286  -5.020  -7.018
  105    HD1  TRP  15           HD       TRP  15  -4.463  -3.269  -8.856
  106    HE1  TRP  15           1HE      TRP  15  -6.267  -3.778 -10.620
  107    HE3  TRP  15           3HE      TRP  15  -3.905  -8.344  -9.147
  108    HZ2  TRP  15           2HZ      TRP  15  -7.315  -6.033 -11.957
  109    HZ3  TRP  15           3HZ      TRP  15  -5.349  -9.601 -10.692
  110    HH2  TRP  15           HH       TRP  15  -7.018  -8.469 -12.068
  111    H    GLN  16           H        GLN  16   0.291  -6.696  -8.865
  112    HA   GLN  16           HA       GLN  16  -0.121  -6.903 -11.740
  113    HB2  GLN  16           2HB      GLN  16   2.174  -6.687 -10.761
  114    HB3  GLN  16           1HB      GLN  16   1.951  -8.248  -9.985
  115    HG2  GLN  16           2HG      GLN  16   1.725  -9.302 -12.181
  116    HG3  GLN  16           1HG      GLN  16   1.965  -7.734 -12.952
  117   HE21  GLN  16          1HE2      GLN  16   3.620  -9.635 -13.719
  118   HE22  GLN  16          2HE2      GLN  16   5.194  -9.434 -13.036
  119    H    GLU  17           H        GLU  17  -1.172  -8.434 -12.712
  120    HA   GLU  17           HA       GLU  17  -2.775 -10.260 -11.397
  121    HB2  GLU  17           2HB      GLU  17  -1.823 -10.310 -14.260
  122    HB3  GLU  17           1HB      GLU  17  -3.159 -11.264 -13.627
  123    HG2  GLU  17           2HG      GLU  17  -4.326  -9.176 -13.034
  124    HG3  GLU  17           1HG      GLU  17  -3.007  -8.261 -13.763
  125    H    ASP  18           H        ASP  18  -2.819 -12.524 -11.359
  126    HA   ASP  18           HA       ASP  18  -0.509 -13.847 -10.463
  127    HB2  ASP  18           2HB      ASP  18  -1.844 -15.894 -10.710
  128    HB3  ASP  18           1HB      ASP  18  -2.756 -14.611  -9.922
  129    H    GLU  19           H        GLU  19  -2.088 -13.853 -13.631
  130    HA   GLU  19           HA       GLU  19  -0.380 -15.755 -14.816
  131    HB2  GLU  19           2HB      GLU  19  -2.122 -13.611 -16.024
  132    HB3  GLU  19           1HB      GLU  19  -1.264 -14.813 -16.977
  133    HG2  GLU  19           2HG      GLU  19  -2.492 -16.590 -15.814
  134    HG3  GLU  19           1HG      GLU  19  -3.370 -15.366 -14.897
  135    H    ASP  20           H        ASP  20  -0.272 -12.214 -14.755
  136    HA   ASP  20           HA       ASP  20   1.947 -11.997 -16.504
  137    HB2  ASP  20           2HB      ASP  20   0.849 -10.082 -14.435
  138    HB3  ASP  20           1HB      ASP  20   2.149  -9.675 -15.551
  139    H    ALA  21           H        ALA  21   1.595 -12.408 -13.066
  140    HA   ALA  21           HA       ALA  21   4.530 -12.464 -12.771
  141    HB1  ALA  21           1HB      ALA  21   2.379 -11.434 -11.061
  142    HB2  ALA  21           2HB      ALA  21   4.075 -10.959 -11.166
  143    HB3  ALA  21           3HB      ALA  21   3.611 -12.370 -10.216
  144    HA   PRO  22           HA       PRO  22   3.083 -16.843 -12.254
  145    HB2  PRO  22           2HB      PRO  22   4.925 -17.960 -13.864
  146    HB3  PRO  22           1HB      PRO  22   3.448 -17.228 -14.499
  147    HG2  PRO  22           2HG      PRO  22   6.209 -16.074 -14.341
  148    HG3  PRO  22           1HG      PRO  22   5.063 -16.044 -15.695
  149    HD2  PRO  22           2HD      PRO  22   5.403 -13.945 -14.001
  150    HD3  PRO  22           1HD      PRO  22   3.857 -14.302 -14.798
  151    H    ALA  23           H        ALA  23   5.913 -15.067 -11.692
  152    HA   ALA  23           HA       ALA  23   6.846 -17.076  -9.764
  153    HB1  ALA  23           1HB      ALA  23   8.437 -17.421 -11.424
  154    HB2  ALA  23           2HB      ALA  23   9.215 -16.233 -10.380
  155    HB3  ALA  23           3HB      ALA  23   8.463 -15.721 -11.889
  156    H    CYS  24           H        CYS  24   8.061 -16.155  -7.968
  157    HA   CYS  24           HA       CYS  24   6.914 -13.797  -6.987
  158    HB2  CYS  24           2HB      CYS  24   7.963 -15.727  -5.687
  159    HB3  CYS  24           1HB      CYS  24   9.515 -14.957  -6.004
  160    HG   CYS  24           HG       CYS  24   8.002 -14.288  -3.698
  161    H    ASN  25           H        ASN  25   7.344 -11.755  -7.340
  162    HA   ASN  25           HA       ASN  25   9.291 -10.824  -9.115
  163    HB2  ASN  25           2HB      ASN  25   7.711  -9.378  -6.982
  164    HB3  ASN  25           1HB      ASN  25   8.712  -8.562  -8.178
  165   HD21  ASN  25          1HD2      ASN  25   8.222  -9.218 -10.484
  166   HD22  ASN  25          2HD2      ASN  25   6.551  -9.349 -10.908
  167    H    GLY  26           H        GLY  26   9.430 -11.448  -5.693
  168    HA2  GLY  26           2HA      GLY  26  11.837  -9.881  -5.328
  169    HA3  GLY  26           1HA      GLY  26  11.010 -10.825  -4.105
  170    H    CYS  27           H        CYS  27  11.075 -13.362  -4.914
  171    HA   CYS  27           HA       CYS  27  13.959 -13.868  -5.081
  172    HB2  CYS  27           2HB      CYS  27  13.510 -16.004  -4.013
  173    HB3  CYS  27           1HB      CYS  27  12.793 -14.697  -3.077
  174    HG   CYS  27           HG       CYS  27  10.917 -16.351  -3.150
  175    H    GLY  28           H        GLY  28  11.378 -13.917  -7.165
  176    HA2  GLY  28           2HA      GLY  28  11.202 -14.766  -9.283
  177    HA3  GLY  28           1HA      GLY  28  12.844 -15.361  -9.112
  178    H    CYS  29           H        CYS  29  10.893 -16.520  -6.609
  179    HA   CYS  29           HA       CYS  29  11.059 -19.186  -7.600
  180    HB2  CYS  29           2HB      CYS  29  10.096 -19.883  -5.574
  181    HB3  CYS  29           1HB      CYS  29  11.014 -18.444  -5.143
  182    HG   CYS  29           HG       CYS  29   8.940 -17.602  -4.176
  183    H    VAL  30           H        VAL  30   9.491 -20.524  -8.404
  184    HA   VAL  30           HA       VAL  30   7.380 -19.200  -9.841
  185    HB   VAL  30           HB       VAL  30   7.443 -22.154  -9.750
  186   HG11  VAL  30          1HG1      VAL  30   7.547 -21.291 -12.362
  187   HG12  VAL  30          2HG1      VAL  30   6.641 -20.018 -11.545
  188   HG13  VAL  30          3HG1      VAL  30   6.088 -21.690 -11.455
  189   HG21  VAL  30          1HG2      VAL  30   9.778 -20.498 -10.483
  190   HG22  VAL  30          2HG2      VAL  30   9.350 -21.791 -11.605
  191   HG23  VAL  30          3HG2      VAL  30   9.703 -22.167  -9.917
  192    H    PHE  31           H        PHE  31   5.240 -19.255  -9.493
  193    HA   PHE  31           HA       PHE  31   4.319 -20.154  -6.901
  194    HB2  PHE  31           2HB      PHE  31   2.954 -18.656  -9.142
  195    HB3  PHE  31           1HB      PHE  31   2.142 -19.115  -7.646
  196    HD1  PHE  31           1HD      PHE  31   3.037 -18.226  -5.471
  197    HD2  PHE  31           2HD      PHE  31   4.280 -16.732  -9.256
  198    HE1  PHE  31           1HE      PHE  31   3.870 -16.181  -4.386
  199    HE2  PHE  31           2HE      PHE  31   5.115 -14.685  -8.178
  200    HZ   PHE  31           HZ       PHE  31   4.913 -14.408  -5.739
  201    H    THR  32           H        THR  32   3.077 -21.833  -6.488
  202    HA   THR  32           HA       THR  32   2.078 -23.452  -8.732
  203    HB   THR  32           HB       THR  32   2.753 -25.476  -7.651
  204    HG1  THR  32           1HG      THR  32   4.158 -24.458  -5.578
  205   HG21  THR  32          1HG2      THR  32   5.218 -23.976  -7.070
  206   HG22  THR  32          2HG2      THR  32   4.574 -23.824  -8.705
  207   HG23  THR  32          3HG2      THR  32   4.962 -25.417  -8.054
  208    H    THR  33           H        THR  33   0.500 -25.166  -7.907
  209    HA   THR  33           HA       THR  33  -1.809 -24.003  -6.976
  210    HB   THR  33           HB       THR  33  -0.988 -26.880  -6.551
  211    HG1  THR  33           1HG      THR  33  -0.842 -26.718  -8.666
  212   HG21  THR  33          1HG2      THR  33  -3.762 -25.933  -7.120
  213   HG22  THR  33          2HG2      THR  33  -3.143 -25.979  -5.469
  214   HG23  THR  33          3HG2      THR  33  -3.219 -27.460  -6.424
  215    H    THR  34           H        THR  34   0.709 -25.596  -5.025
  216    HA   THR  34           HA       THR  34  -0.777 -25.343  -2.609
  217    HB   THR  34           HB       THR  34   1.294 -26.016  -1.477
  218    HG1  THR  34           1HG      THR  34   2.708 -24.793  -2.861
  219   HG21  THR  34          1HG2      THR  34   1.838 -27.910  -3.426
  220   HG22  THR  34          2HG2      THR  34   0.133 -27.518  -3.641
  221   HG23  THR  34          3HG2      THR  34   0.720 -28.067  -2.071
  222    H    VAL  35           H        VAL  35   1.417 -23.229  -4.331
  223    HA   VAL  35           HA       VAL  35   1.590 -21.460  -2.011
  224    HB   VAL  35           HB       VAL  35   2.869 -21.265  -4.732
  225   HG11  VAL  35          1HG1      VAL  35   3.224 -19.478  -2.332
  226   HG12  VAL  35          2HG1      VAL  35   2.384 -19.047  -3.822
  227   HG13  VAL  35          3HG1      VAL  35   4.117 -19.372  -3.849
  228   HG21  VAL  35          1HG2      VAL  35   3.609 -22.609  -2.308
  229   HG22  VAL  35          2HG2      VAL  35   4.784 -21.349  -2.690
  230   HG23  VAL  35          3HG2      VAL  35   4.418 -22.605  -3.874
  231    H    ARG  36           H        ARG  36   0.007 -20.136  -1.696
  232    HA   ARG  36           HA       ARG  36  -1.819 -19.275  -3.741
  233    HB2  ARG  36           2HB      ARG  36  -1.474 -18.394  -0.867
  234    HB3  ARG  36           1HB      ARG  36  -2.789 -17.883  -1.918
  235    HG2  ARG  36           2HG      ARG  36  -3.490 -20.239  -2.133
  236    HG3  ARG  36           1HG      ARG  36  -2.218 -20.693  -0.998
  237    HD2  ARG  36           2HD      ARG  36  -3.255 -19.147   0.666
  238    HD3  ARG  36           1HD      ARG  36  -4.588 -18.910  -0.462
  239    HE   ARG  36           HE       ARG  36  -4.090 -21.223   1.185
  240   HH11  ARG  36          1HH1      ARG  36  -5.709 -19.987  -1.639
  241   HH12  ARG  36          2HH1      ARG  36  -6.921 -21.224  -1.644
  242   HH21  ARG  36          1HH2      ARG  36  -5.683 -22.854   1.188
  243   HH22  ARG  36          2HH2      ARG  36  -6.907 -22.854  -0.036
  244    H    ARG  37           H        ARG  37  -2.104 -17.199  -4.551
  245    HA   ARG  37           HA       ARG  37   0.352 -15.692  -4.805
  246    HB2  ARG  37           2HB      ARG  37  -1.124 -16.083  -6.753
  247    HB3  ARG  37           1HB      ARG  37  -2.383 -15.135  -5.971
  248    HG2  ARG  37           2HG      ARG  37  -0.965 -13.161  -6.042
  249    HG3  ARG  37           1HG      ARG  37   0.330 -14.107  -6.777
  250    HD2  ARG  37           2HD      ARG  37  -0.808 -12.888  -8.500
  251    HD3  ARG  37           1HD      ARG  37  -1.174 -14.602  -8.679
  252    HE   ARG  37           HE       ARG  37  -3.336 -14.107  -7.594
  253   HH11  ARG  37          1HH1      ARG  37  -1.565 -11.483  -9.080
  254   HH12  ARG  37          2HH1      ARG  37  -2.978 -10.520  -9.340
  255   HH21  ARG  37          1HH2      ARG  37  -5.187 -12.841  -7.946
  256   HH22  ARG  37          2HH2      ARG  37  -5.033 -11.288  -8.699
  257    H    HIS  38           H        HIS  38   0.764 -13.665  -4.034
  258    HA   HIS  38           HA       HIS  38  -1.310 -12.307  -2.490
  259    HB2  HIS  38           2HB      HIS  38   1.418 -12.995  -1.377
  260    HB3  HIS  38           1HB      HIS  38   0.229 -11.961  -0.591
  261    HD1  HIS  38           1HD      HIS  38  -2.160 -13.268  -0.110
  262    HD2  HIS  38           2HD      HIS  38   1.247 -15.586  -0.629
  263    HE1  HIS  38           1HE      HIS  38  -2.713 -15.508   0.890
  264    HE2  HIS  38           2HE      HIS  38  -0.666 -16.921   0.488
  265    H    HIS  39           H        HIS  39  -0.604 -10.091  -1.831
  266    HA   HIS  39           HA       HIS  39   1.370  -8.979  -3.716
  267    HB2  HIS  39           2HB      HIS  39  -1.377  -7.875  -3.109
  268    HB3  HIS  39           1HB      HIS  39  -0.135  -7.010  -4.008
  269    HD1  HIS  39           1HD      HIS  39  -2.838  -9.438  -4.403
  270    HD2  HIS  39           2HD      HIS  39   0.531  -8.276  -6.539
  271    HE1  HIS  39           1HE      HIS  39  -3.169 -10.340  -6.726
  272    HE2  HIS  39           2HE      HIS  39  -1.076  -9.705  -7.976
  273    H    CYS  40           H        CYS  40   2.510  -7.160  -3.044
  274    HA   CYS  40           HA       CYS  40   2.614  -6.749  -0.155
  275    HB2  CYS  40           2HB      CYS  40   4.744  -7.101  -1.219
  276    HB3  CYS  40           1HB      CYS  40   4.389  -5.907  -2.460
  277    HG   CYS  40           HG       CYS  40   4.467  -4.621   0.265
  278    H    ARG  41           H        ARG  41   2.052  -4.860   0.819
  279    HA   ARG  41           HA       ARG  41   0.205  -3.187  -0.532
  280    HB2  ARG  41           2HB      ARG  41   0.169  -3.858   1.902
  281    HB3  ARG  41           1HB      ARG  41   1.448  -2.681   2.165
  282    HG2  ARG  41           2HG      ARG  41  -0.600  -1.655   2.765
  283    HG3  ARG  41           1HG      ARG  41  -0.085  -0.936   1.236
  284    HD2  ARG  41           2HD      ARG  41  -1.609  -2.441   0.036
  285    HD3  ARG  41           1HD      ARG  41  -2.132  -3.128   1.573
  286    HE   ARG  41           HE       ARG  41  -2.524  -0.374   1.703
  287   HH11  ARG  41          1HH1      ARG  41  -3.715  -3.101  -0.105
  288   HH12  ARG  41          2HH1      ARG  41  -5.280  -2.408  -0.368
  289   HH21  ARG  41          1HH2      ARG  41  -4.583   0.545   1.367
  290   HH22  ARG  41          2HH2      ARG  41  -5.775  -0.336   0.471
  291    H    ASN  42           H        ASN  42   3.534  -3.073  -0.515
  292    HA   ASN  42           HA       ASN  42   3.654  -0.155  -0.734
  293    HB2  ASN  42           2HB      ASN  42   5.754  -2.277  -0.335
  294    HB3  ASN  42           1HB      ASN  42   6.176  -0.627  -0.770
  295   HD21  ASN  42          1HD2      ASN  42   6.138  -2.591   1.724
  296   HD22  ASN  42          2HD2      ASN  42   5.756  -1.500   3.008
  297    H    CYS  43           H        CYS  43   5.366  -2.800  -2.407
  298    HA   CYS  43           HA       CYS  43   5.585  -1.208  -4.773
  299    HB2  CYS  43           2HB      CYS  43   6.759  -3.134  -5.723
  300    HB3  CYS  43           1HB      CYS  43   7.377  -2.734  -4.127
  301    HG   CYS  43           HG       CYS  43   5.357  -4.917  -3.855
  302    H    GLY  44           H        GLY  44   3.344  -3.588  -3.638
  303    HA2  GLY  44           2HA      GLY  44   1.325  -4.234  -4.551
  304    HA3  GLY  44           1HA      GLY  44   1.614  -3.099  -5.860
  305    H    TYR  45           H        TYR  45   4.028  -5.459  -5.186
  306    HA   TYR  45           HA       TYR  45   3.390  -6.798  -7.712
  307    HB2  TYR  45           2HB      TYR  45   5.914  -6.911  -6.048
  308    HB3  TYR  45           1HB      TYR  45   5.679  -7.686  -7.609
  309    HD1  TYR  45           1HD      TYR  45   4.306  -5.545  -9.115
  310    HD2  TYR  45           2HD      TYR  45   7.602  -5.343  -6.431
  311    HE1  TYR  45           1HE      TYR  45   5.103  -3.516 -10.254
  312    HE2  TYR  45           2HE      TYR  45   8.406  -3.312  -7.562
  313    HH   TYR  45           HH       TYR  45   7.519  -1.506  -8.955
  314    H    VAL  46           H        VAL  46   3.757  -9.150  -7.804
  315    HA   VAL  46           HA       VAL  46   2.289 -10.377  -5.666
  316    HB   VAL  46           HB       VAL  46   3.464 -11.582  -8.173
  317   HG11  VAL  46          1HG1      VAL  46   2.041 -13.538  -7.655
  318   HG12  VAL  46          2HG1      VAL  46   1.679 -12.820  -6.084
  319   HG13  VAL  46          3HG1      VAL  46   3.332 -13.289  -6.478
  320   HG21  VAL  46          1HG2      VAL  46   1.160 -10.012  -7.722
  321   HG22  VAL  46          2HG2      VAL  46   0.612 -11.662  -8.015
  322   HG23  VAL  46          3HG2      VAL  46   1.633 -10.849  -9.200
  323    H    LEU  47           H        LEU  47   3.063 -11.476  -3.986
  324    HA   LEU  47           HA       LEU  47   5.831 -12.473  -4.091
  325    HB2  LEU  47           2HB      LEU  47   4.532 -10.948  -1.829
  326    HB3  LEU  47           1HB      LEU  47   6.021 -11.848  -1.660
  327    HG   LEU  47           HG       LEU  47   6.314  -9.396  -1.896
  328   HD11  LEU  47          1HD1      LEU  47   7.983  -9.652  -3.889
  329   HD12  LEU  47          2HD1      LEU  47   7.576 -11.359  -3.731
  330   HD13  LEU  47          3HD1      LEU  47   8.261 -10.485  -2.362
  331   HD21  LEU  47          1HD2      LEU  47   4.435  -9.468  -3.793
  332   HD22  LEU  47          2HD2      LEU  47   5.880  -9.518  -4.803
  333   HD23  LEU  47          3HD2      LEU  47   5.643  -8.190  -3.666
  334    H    CYS  48           H        CYS  48   6.149 -14.440  -3.133
  335    HA   CYS  48           HA       CYS  48   3.794 -15.961  -2.435
  336    HB2  CYS  48           2HB      CYS  48   5.167 -17.871  -2.494
  337    HB3  CYS  48           1HB      CYS  48   5.890 -16.818  -3.707
  338    HG   CYS  48           HG       CYS  48   7.906 -16.479  -2.250
  339    H    GLY  49           H        GLY  49   4.219 -17.481  -0.327
  340    HA2  GLY  49           2HA      GLY  49   3.900 -15.831   1.875
  341    HA3  GLY  49           1HA      GLY  49   4.361 -17.524   1.965
  342    H    ASP  50           H        ASP  50   6.812 -17.677   1.004
  343    HA   ASP  50           HA       ASP  50   8.456 -16.799   3.059
  344    HB2  ASP  50           2HB      ASP  50   9.069 -17.738   0.266
  345    HB3  ASP  50           1HB      ASP  50  10.342 -17.315   1.404
  346    H    CYS  51           H        CYS  51   7.748 -15.220   0.019
  347    HA   CYS  51           HA       CYS  51   9.724 -13.153   0.538
  348    HB2  CYS  51           2HB      CYS  51   8.058 -13.945  -1.782
  349    HB3  CYS  51           1HB      CYS  51   8.481 -12.240  -1.658
  350    HG   CYS  51           HG       CYS  51  10.810 -14.264  -1.542
  351    H    SER  52           H        SER  52   6.683 -13.760   1.603
  352    HA   SER  52           HA       SER  52   6.169 -10.909   2.054
  353    HB2  SER  52           2HB      SER  52   3.797 -11.211   1.715
  354    HB3  SER  52           1HB      SER  52   4.630 -11.824   0.287
  355    HG   SER  52           HG       SER  52   4.297 -13.905   1.010
  356    H    ARG  53           H        ARG  53   7.439 -13.094   3.600
  357    HA   ARG  53           HA       ARG  53   5.581 -13.746   5.700
  358    HB2  ARG  53           2HB      ARG  53   8.532 -14.226   5.336
  359    HB3  ARG  53           1HB      ARG  53   7.719 -14.594   6.851
  360    HG2  ARG  53           2HG      ARG  53   6.167 -16.067   5.534
  361    HG3  ARG  53           1HG      ARG  53   7.232 -15.811   4.152
  362    HD2  ARG  53           2HD      ARG  53   9.117 -16.689   5.476
  363    HD3  ARG  53           1HD      ARG  53   8.002 -17.019   6.801
  364    HE   ARG  53           HE       ARG  53   8.280 -18.509   4.332
  365   HH11  ARG  53          1HH1      ARG  53   6.341 -17.865   7.154
  366   HH12  ARG  53          2HH1      ARG  53   5.478 -19.364   7.061
  367   HH21  ARG  53          1HH2      ARG  53   7.152 -20.486   4.204
  368   HH22  ARG  53          2HH2      ARG  53   5.937 -20.853   5.384
  369    H    HIS  54           H        HIS  54   7.761 -11.134   5.024
  370    HA   HIS  54           HA       HIS  54   8.068 -10.363   7.773
  371    HB2  HIS  54           2HB      HIS  54   8.782  -9.041   5.165
  372    HB3  HIS  54           1HB      HIS  54   8.963  -8.207   6.697
  373    HD1  HIS  54           1HD      HIS  54  10.461  -9.746   8.507
  374    HD2  HIS  54           2HD      HIS  54  11.048 -10.319   4.434
  375    HE1  HIS  54           1HE      HIS  54  12.718 -10.834   8.301
  376    HE2  HIS  54           2HE      HIS  54  13.104 -11.053   5.821
  377    H    ARG  55           H        ARG  55   7.476  -8.161   8.480
  378    HA   ARG  55           HA       ARG  55   5.016  -7.135   7.296
  379    HB2  ARG  55           2HB      ARG  55   5.274  -7.901  10.209
  380    HB3  ARG  55           1HB      ARG  55   3.931  -6.998   9.518
  381    HG2  ARG  55           2HG      ARG  55   3.456  -8.917   8.034
  382    HG3  ARG  55           1HG      ARG  55   4.723  -9.823   8.861
  383    HD2  ARG  55           2HD      ARG  55   2.212  -8.703  10.097
  384    HD3  ARG  55           1HD      ARG  55   2.552 -10.402   9.766
  385    HE   ARG  55           HE       ARG  55   4.594  -9.651  11.382
  386   HH11  ARG  55          1HH1      ARG  55   1.126  -9.426  11.610
  387   HH12  ARG  55          2HH1      ARG  55   1.101  -9.540  13.339
  388   HH21  ARG  55          1HH2      ARG  55   4.575  -9.802  13.661
  389   HH22  ARG  55          2HH2      ARG  55   3.063  -9.755  14.506
  390    H    ALA  56           H        ALA  56   4.806  -4.971   7.436
  391    HA   ALA  56           HA       ALA  56   6.357  -3.406   9.316
  392    HB1  ALA  56           1HB      ALA  56   7.090  -3.506   6.411
  393    HB2  ALA  56           2HB      ALA  56   8.132  -3.673   7.823
  394    HB3  ALA  56           3HB      ALA  56   7.454  -2.098   7.411
  395    H    ALA  57           H        ALA  57   5.830  -1.148   9.318
  396    HA   ALA  57           HA       ALA  57   3.165  -0.630   8.269
  397    HB1  ALA  57           1HB      ALA  57   3.156   1.299   9.715
  398    HB2  ALA  57           2HB      ALA  57   4.882   1.122  10.034
  399    HB3  ALA  57           3HB      ALA  57   3.745  -0.085  10.637
  400    H    ILE  58           H        ILE  58   2.730   1.330   7.028
  401    HA   ILE  58           HA       ILE  58   5.096   2.369   5.628
  402    HB   ILE  58           HB       ILE  58   2.508   1.962   4.185
  403   HG12  ILE  58          2HG1      ILE  58   4.679  -0.129   4.451
  404   HG13  ILE  58          1HG1      ILE  58   3.115  -0.204   5.257
  405   HG21  ILE  58          1HG2      ILE  58   3.931   1.908   2.248
  406   HG22  ILE  58          2HG2      ILE  58   5.375   1.883   3.256
  407   HG23  ILE  58          3HG2      ILE  58   4.348   3.317   3.219
  408   HD11  ILE  58          1HD1      ILE  58   2.939   0.176   2.370
  409   HD12  ILE  58          2HD1      ILE  58   2.086  -0.948   3.429
  410   HD13  ILE  58          3HD1      ILE  58   3.709  -1.333   2.859
  411    HA   PRO  59           HA       PRO  59   2.568   5.817   7.403
  412    HB2  PRO  59           2HB      PRO  59   4.750   7.388   7.917
  413    HB3  PRO  59           1HB      PRO  59   4.087   6.208   9.052
  414    HG2  PRO  59           2HG      PRO  59   6.415   5.945   7.191
  415    HG3  PRO  59           1HG      PRO  59   6.253   5.397   8.870
  416    HD2  PRO  59           2HD      PRO  59   6.003   3.708   6.786
  417    HD3  PRO  59           1HD      PRO  59   5.051   3.514   8.273
  418    H    MET  60           H        MET  60   4.626   5.505   4.652
  419    HA   MET  60           HA       MET  60   4.199   8.252   3.790
  420    HB2  MET  60           2HB      MET  60   5.497   5.877   2.432
  421    HB3  MET  60           1HB      MET  60   5.419   7.499   1.756
  422    HG2  MET  60           2HG      MET  60   6.703   8.323   3.702
  423    HG3  MET  60           1HG      MET  60   6.860   6.658   4.261
  424    HE1  MET  60           1HE      MET  60   8.297   9.401   1.829
  425    HE2  MET  60           2HE      MET  60   7.068   8.561   0.882
  426    HE3  MET  60           3HE      MET  60   8.771   8.405   0.452
  427    H    ARG  61           H        ARG  61   3.130   4.999   3.145
  428    HA   ARG  61           HA       ARG  61   1.340   5.788   1.005
  429    HB2  ARG  61           2HB      ARG  61   1.537   3.125   2.411
  430    HB3  ARG  61           1HB      ARG  61   0.791   3.449   0.852
  431    HG2  ARG  61           2HG      ARG  61   3.721   3.777   1.463
  432    HG3  ARG  61           1HG      ARG  61   3.001   2.381   0.660
  433    HD2  ARG  61           2HD      ARG  61   2.480   5.092  -0.448
  434    HD3  ARG  61           1HD      ARG  61   4.066   4.367  -0.706
  435    HE   ARG  61           HE       ARG  61   2.055   2.512  -1.377
  436   HH11  ARG  61          1HH1      ARG  61   3.474   5.486  -2.503
  437   HH12  ARG  61          2HH1      ARG  61   3.146   5.162  -4.173
  438   HH21  ARG  61          1HH2      ARG  61   1.624   2.072  -3.572
  439   HH22  ARG  61          2HH2      ARG  61   2.093   3.221  -4.780
  440    H    GLY  62           H        GLY  62   1.217   6.259   4.180
  441    HA2  GLY  62           2HA      GLY  62  -0.640   7.124   5.343
  442    HA3  GLY  62           1HA      GLY  62  -1.701   6.324   4.194
  443    H    ILE  63           H        ILE  63   0.710   4.225   5.237
  444    HA   ILE  63           HA       ILE  63  -1.193   2.884   7.009
  445    HB   ILE  63           HB       ILE  63   1.356   1.873   5.729
  446   HG12  ILE  63          2HG1      ILE  63  -1.490   1.155   5.033
  447   HG13  ILE  63          1HG1      ILE  63  -0.600   2.431   4.209
  448   HG21  ILE  63          1HG2      ILE  63  -0.702   0.518   7.442
  449   HG22  ILE  63          2HG2      ILE  63   1.047   0.575   7.656
  450   HG23  ILE  63          3HG2      ILE  63   0.352  -0.379   6.346
  451   HD11  ILE  63          1HD1      ILE  63   0.363  -0.409   4.368
  452   HD12  ILE  63          2HD1      ILE  63   0.964   0.890   3.334
  453   HD13  ILE  63          3HD1      ILE  63  -0.640   0.212   3.057
  454    H    THR  64           H        THR  64  -0.952   3.748   9.013
  455    HA   THR  64           HA       THR  64   1.690   4.317  10.065
  456    HB   THR  64           HB       THR  64   0.471   5.160  12.045
  457    HG1  THR  64           1HG      THR  64  -1.476   4.499  12.345
  458   HG21  THR  64          1HG2      THR  64   0.830   6.563   9.950
  459   HG22  THR  64          2HG2      THR  64  -0.401   7.100  11.096
  460   HG23  THR  64          3HG2      THR  64  -0.877   6.269   9.615
  461    H    GLU  65           H        GLU  65  -0.495   1.699  10.084
  462    HA   GLU  65           HA       GLU  65   0.782   0.546  12.465
  463    HB2  GLU  65           2HB      GLU  65  -1.717  -0.270  10.967
  464    HB3  GLU  65           1HB      GLU  65  -1.045  -1.151  12.333
  465    HG2  GLU  65           2HG      GLU  65  -1.246   1.169  13.532
  466    HG3  GLU  65           1HG      GLU  65  -2.439   1.476  12.271
  467    HA   PRO  66           HA       PRO  66   3.301  -2.010   9.957
  468    HB2  PRO  66           2HB      PRO  66   3.264  -4.346  11.470
  469    HB3  PRO  66           1HB      PRO  66   4.336  -2.974  11.756
  470    HG2  PRO  66           2HG      PRO  66   1.770  -3.687  13.103
  471    HG3  PRO  66           1HG      PRO  66   3.250  -3.003  13.798
  472    HD2  PRO  66           2HD      PRO  66   1.076  -1.491  13.317
  473    HD3  PRO  66           1HD      PRO  66   2.721  -0.850  13.115
  474    H    GLU  67           H        GLU  67   2.725  -2.889   8.121
  475    HA   GLU  67           HA       GLU  67   0.517  -4.834   8.072
  476    HB2  GLU  67           2HB      GLU  67   1.164  -2.721   6.006
  477    HB3  GLU  67           1HB      GLU  67  -0.080  -3.947   5.836
  478    HG2  GLU  67           2HG      GLU  67  -0.012  -1.781   7.921
  479    HG3  GLU  67           1HG      GLU  67  -1.028  -1.810   6.480
  480    H    ARG  68           H        ARG  68   0.577  -6.200   6.039
  481    HA   ARG  68           HA       ARG  68   3.104  -7.487   5.887
  482    HB2  ARG  68           2HB      ARG  68   2.022  -9.018   4.341
  483    HB3  ARG  68           1HB      ARG  68   0.990  -8.705   5.731
  484    HG2  ARG  68           2HG      ARG  68  -0.179  -6.975   4.288
  485    HG3  ARG  68           1HG      ARG  68   0.696  -7.677   2.926
  486    HD2  ARG  68           2HD      ARG  68  -0.269  -9.889   3.524
  487    HD3  ARG  68           1HD      ARG  68  -1.231  -9.088   4.765
  488    HE   ARG  68           HE       ARG  68  -2.607  -8.232   3.124
  489   HH11  ARG  68          1HH1      ARG  68   0.196  -9.712   1.683
  490   HH12  ARG  68          2HH1      ARG  68  -0.449  -9.677   0.077
  491   HH21  ARG  68          1HH2      ARG  68  -3.469  -8.182   1.010
  492   HH22  ARG  68          2HH2      ARG  68  -2.532  -8.805  -0.306
  493    H    VAL  69           H        VAL  69   4.640  -7.458   4.421
  494    HA   VAL  69           HA       VAL  69   4.327  -6.084   1.861
  495    HB   VAL  69           HB       VAL  69   6.384  -4.788   2.168
  496   HG11  VAL  69          1HG1      VAL  69   4.442  -3.533   2.475
  497   HG12  VAL  69          2HG1      VAL  69   5.428  -3.161   3.893
  498   HG13  VAL  69          3HG1      VAL  69   4.085  -4.297   4.027
  499   HG21  VAL  69          1HG2      VAL  69   6.283  -5.992   4.913
  500   HG22  VAL  69          2HG2      VAL  69   7.097  -4.455   4.623
  501   HG23  VAL  69          3HG2      VAL  69   7.636  -5.912   3.784
  502    H    CYS  70           H        CYS  70   6.707  -6.187   0.809
  503    HA   CYS  70           HA       CYS  70   7.470  -9.003   0.967
  504    HB2  CYS  70           2HB      CYS  70   8.155  -8.891  -1.233
  505    HB3  CYS  70           1HB      CYS  70   6.849  -7.713  -1.234
  506    HG   CYS  70           HG       CYS  70   9.037  -6.812  -2.444
  507    H    ASP  71           H        ASP  71  10.060  -8.794  -0.080
  508    HA   ASP  71           HA       ASP  71  11.442  -7.989   2.325
  509    HB2  ASP  71           2HB      ASP  71  12.472  -9.192  -0.255
  510    HB3  ASP  71           1HB      ASP  71  13.468  -8.889   1.165
  511    H    ALA  72           H        ALA  72  11.460  -6.862  -1.051
  512    HA   ALA  72           HA       ALA  72  13.494  -4.933  -0.646
  513    HB1  ALA  72           1HB      ALA  72  13.184  -5.456  -2.872
  514    HB2  ALA  72           2HB      ALA  72  12.388  -3.887  -2.750
  515    HB3  ALA  72           3HB      ALA  72  11.426  -5.366  -2.758
  516    H    CYS  73           H        CYS  73   9.954  -4.648  -0.625
  517    HA   CYS  73           HA       CYS  73   9.866  -1.873  -0.160
  518    HB2  CYS  73           2HB      CYS  73   7.826  -3.947   0.676
  519    HB3  CYS  73           1HB      CYS  73   7.542  -2.222   0.447
  520    HG   CYS  73           HG       CYS  73   8.093  -4.204  -1.885
  521    H    TYR  74           H        TYR  74   9.935  -4.655   2.024
  522    HA   TYR  74           HA       TYR  74   9.533  -3.283   4.428
  523    HB2  TYR  74           2HB      TYR  74   9.575  -5.751   4.274
  524    HB3  TYR  74           1HB      TYR  74  11.300  -5.697   3.926
  525    HD1  TYR  74           1HD      TYR  74   8.744  -5.184   6.532
  526    HD2  TYR  74           2HD      TYR  74  12.907  -5.374   5.673
  527    HE1  TYR  74           1HE      TYR  74   9.232  -5.292   8.940
  528    HE2  TYR  74           2HE      TYR  74  13.404  -5.481   8.079
  529    HH   TYR  74           HH       TYR  74  11.312  -4.649  10.429
  530    H    LEU  75           H        LEU  75  12.392  -3.799   2.469
  531    HA   LEU  75           HA       LEU  75  14.239  -2.588   4.274
  532    HB2  LEU  75           2HB      LEU  75  14.321  -3.392   1.389
  533    HB3  LEU  75           1HB      LEU  75  15.645  -2.505   2.110
  534    HG   LEU  75           HG       LEU  75  14.633  -5.164   3.120
  535   HD11  LEU  75          1HD1      LEU  75  15.921  -4.810   0.767
  536   HD12  LEU  75          2HD1      LEU  75  16.065  -6.252   1.773
  537   HD13  LEU  75          3HD1      LEU  75  17.286  -4.983   1.871
  538   HD21  LEU  75          1HD2      LEU  75  16.698  -3.240   4.003
  539   HD22  LEU  75          2HD2      LEU  75  17.128  -4.950   4.054
  540   HD23  LEU  75          3HD2      LEU  75  15.719  -4.368   4.942
  541    H    ALA  76           H        ALA  76  12.894  -1.449   1.165
  542    HA   ALA  76           HA       ALA  76  14.078   1.019   1.071
  543    HB1  ALA  76           1HB      ALA  76  11.488  -0.025   0.037
  544    HB2  ALA  76           2HB      ALA  76  12.884   0.600  -0.841
  545    HB3  ALA  76           3HB      ALA  76  11.777   1.713  -0.039
  546    H    LEU  77           H        LEU  77  11.038   0.189   2.701
  547    HA   LEU  77           HA       LEU  77  10.602   2.790   3.754
  548    HB2  LEU  77           2HB      LEU  77   9.667   0.087   4.739
  549    HB3  LEU  77           1HB      LEU  77   9.083   1.621   5.352
  550    HG   LEU  77           HG       LEU  77   8.785   0.722   2.484
  551   HD11  LEU  77          1HD1      LEU  77   6.774   0.671   4.730
  552   HD12  LEU  77          2HD1      LEU  77   7.522  -0.735   3.972
  553   HD13  LEU  77          3HD1      LEU  77   6.447   0.302   3.037
  554   HD21  LEU  77          1HD2      LEU  77   7.022   2.549   2.527
  555   HD22  LEU  77          2HD2      LEU  77   8.704   3.079   2.556
  556   HD23  LEU  77          3HD2      LEU  77   7.755   3.081   4.042
  557    H    ARG  78           H        ARG  78  12.188  -0.118   4.895
  558    HA   ARG  78           HA       ARG  78  12.868   0.610   7.481
  559    HB2  ARG  78           2HB      ARG  78  13.115  -1.651   6.537
  560    HB3  ARG  78           1HB      ARG  78  14.438  -1.084   5.530
  561    HG2  ARG  78           2HG      ARG  78  15.543  -0.414   7.762
  562    HG3  ARG  78           1HG      ARG  78  14.356  -1.504   8.478
  563    HD2  ARG  78           2HD      ARG  78  16.301  -2.796   8.110
  564    HD3  ARG  78           1HD      ARG  78  15.152  -3.258   6.857
  565    HE   ARG  78           HE       ARG  78  16.544  -1.403   5.578
  566   HH11  ARG  78          1HH1      ARG  78  17.630  -4.035   7.592
  567   HH12  ARG  78          2HH1      ARG  78  19.152  -4.191   6.780
  568   HH21  ARG  78          1HH2      ARG  78  18.545  -1.609   4.509
  569   HH22  ARG  78          2HH2      ARG  78  19.672  -2.815   5.033
  570    H    SER  79           H        SER  79  14.049   1.853   4.501
  571    HA   SER  79           HA       SER  79  16.667   2.579   5.270
  572    HB2  SER  79           2HB      SER  79  14.831   3.883   3.249
  573    HB3  SER  79           1HB      SER  79  16.572   4.137   3.370
  574    HG   SER  79           HG       SER  79  16.670   1.744   3.095
  575    H    SER  80           H        SER  80  17.471   4.709   5.750
  576    HA   SER  80           HA       SER  80  15.531   6.346   7.246
  577    HB2  SER  80           2HB      SER  80  17.303   6.928   8.798
  578    HB3  SER  80           1HB      SER  80  17.201   5.171   8.679
  579    HG   SER  80           HG       SER  80  19.142   6.912   7.607
  580    H    ASN  81           H        ASN  81  15.932   8.640   7.302
  581    HA   ASN  81           HA       ASN  81  16.402   9.774   4.815
  582    HB2  ASN  81           2HB      ASN  81  16.354  11.924   5.932
  583    HB3  ASN  81           1HB      ASN  81  15.154  10.864   6.664
  584   HD21  ASN  81          1HD2      ASN  81  15.941  13.043   8.025
  585   HD22  ASN  81          2HD2      ASN  81  16.927  12.598   9.372
  586    H    MET  82           H        MET  82  18.125  10.624   3.783
  587    HA   MET  82           HA       MET  82  20.749   9.932   4.798
  588    HB2  MET  82           2HB      MET  82  19.855  11.150   2.182
  589    HB3  MET  82           1HB      MET  82  21.524  10.757   2.568
  590    HG2  MET  82           2HG      MET  82  20.823   8.391   2.884
  591    HG3  MET  82           1HG      MET  82  19.222   8.843   2.301
  592    HE1  MET  82           1HE      MET  82  22.837   9.072   1.808
  593    HE2  MET  82           2HE      MET  82  23.022   9.697   0.170
  594    HE3  MET  82           3HE      MET  82  23.039   7.957   0.456
  595    H    ALA  83           H        ALA  83  22.407  11.352   5.257
  596    HA   ALA  83           HA       ALA  83  21.684  13.848   6.369
  597    HB1  ALA  83           1HB      ALA  83  23.522  12.981   7.417
  598    HB2  ALA  83           2HB      ALA  83  24.305  14.112   6.315
  599    HB3  ALA  83           3HB      ALA  83  24.242  12.396   5.917
  600    H    GLY  84           H        GLY  84  22.760  12.898   3.207
  601    HA2  GLY  84           2HA      GLY  84  22.012  14.706   1.554
  602    HA3  GLY  84           1HA      GLY  84  23.116  15.728   2.461
  Start of MODEL   13
    1    H1   GLY   1           1HT      GLY   1   5.987  24.069 -21.022
    2    H2   GLY   1           2HT      GLY   1   6.081  24.446 -19.375
    3    H3   GLY   1           3HT      GLY   1   6.299  22.851 -19.891
    4    HA2  GLY   1           1HA      GLY   1   8.086  25.031 -20.780
    5    HA3  GLY   1           2HA      GLY   1   8.373  24.157 -19.283
    6    HA   PRO   2           HA       PRO   2   9.986  21.841 -23.144
    7    HB2  PRO   2           2HB      PRO   2  12.582  22.597 -23.136
    8    HB3  PRO   2           1HB      PRO   2  11.336  23.486 -24.021
    9    HG2  PRO   2           2HG      PRO   2  12.547  24.079 -21.346
   10    HG3  PRO   2           1HG      PRO   2  12.186  25.190 -22.682
   11    HD2  PRO   2           2HD      PRO   2  10.575  24.929 -20.513
   12    HD3  PRO   2           1HD      PRO   2   9.956  25.333 -22.126
   13    H    LEU   3           H        LEU   3  10.535  22.133 -19.851
   14    HA   LEU   3           HA       LEU   3  12.577  20.108 -19.612
   15    HB2  LEU   3           2HB      LEU   3  10.799  21.270 -17.469
   16    HB3  LEU   3           1HB      LEU   3  12.277  20.359 -17.221
   17    HG   LEU   3           HG       LEU   3  12.058  23.108 -18.449
   18   HD11  LEU   3          1HD1      LEU   3  12.046  23.723 -16.304
   19   HD12  LEU   3          2HD1      LEU   3  13.743  23.241 -16.296
   20   HD13  LEU   3          3HD1      LEU   3  12.503  22.113 -15.744
   21   HD21  LEU   3          1HD2      LEU   3  14.092  21.100 -18.705
   22   HD22  LEU   3          2HD2      LEU   3  14.719  22.490 -17.820
   23   HD23  LEU   3          3HD2      LEU   3  14.012  22.710 -19.421
   24    H    GLY   4           H        GLY   4  12.313  17.991 -18.994
   25    HA2  GLY   4           2HA      GLY   4   9.699  16.972 -18.282
   26    HA3  GLY   4           1HA      GLY   4  10.267  16.468 -19.866
   27    H    SER   5           H        SER   5  10.099  15.581 -16.709
   28    HA   SER   5           HA       SER   5  12.295  13.664 -17.057
   29    HB2  SER   5           2HB      SER   5  13.014  13.927 -14.769
   30    HB3  SER   5           1HB      SER   5  12.998  15.522 -15.521
   31    HG   SER   5           HG       SER   5  10.719  15.532 -14.579
   32    H    MET   6           H        MET   6  12.064  11.710 -15.800
   33    HA   MET   6           HA       MET   6   9.262  11.156 -15.066
   34    HB2  MET   6           2HB      MET   6  11.272   9.302 -16.362
   35    HB3  MET   6           1HB      MET   6   9.673   8.821 -15.810
   36    HG2  MET   6           2HG      MET   6   8.703  10.481 -17.389
   37    HG3  MET   6           1HG      MET   6  10.327  10.764 -18.010
   38    HE1  MET   6           1HE      MET   6   7.806   6.957 -18.551
   39    HE2  MET   6           2HE      MET   6   7.235   8.500 -17.916
   40    HE3  MET   6           3HE      MET   6   8.312   7.493 -16.949
   41    H    GLY   7           H        GLY   7   8.894   9.783 -13.286
   42    HA2  GLY   7           2HA      GLY   7  10.762   8.356 -11.838
   43    HA3  GLY   7           1HA      GLY   7  10.842   9.997 -11.216
   44    H    GLU   8           H        GLU   8   9.180  10.792  -9.960
   45    HA   GLU   8           HA       GLU   8   7.678   8.888  -8.517
   46    HB2  GLU   8           2HB      GLU   8   7.449  11.901  -8.612
   47    HB3  GLU   8           1HB      GLU   8   6.595  10.880  -7.461
   48    HG2  GLU   8           2HG      GLU   8   8.770  10.061  -6.631
   49    HG3  GLU   8           1HG      GLU   8   9.577  11.185  -7.723
   50    H    LYS   9           H        LYS   9   7.083  10.264 -11.530
   51    HA   LYS   9           HA       LYS   9   4.273  10.510 -11.468
   52    HB2  LYS   9           2HB      LYS   9   6.133   9.825 -13.755
   53    HB3  LYS   9           1HB      LYS   9   4.424  10.198 -13.947
   54    HG2  LYS   9           2HG      LYS   9   4.837  12.423 -12.959
   55    HG3  LYS   9           1HG      LYS   9   6.559  12.041 -12.894
   56    HD2  LYS   9           2HD      LYS   9   6.538  11.716 -15.348
   57    HD3  LYS   9           1HD      LYS   9   4.843  12.212 -15.372
   58    HE2  LYS   9           2HE      LYS   9   6.628  14.070 -13.978
   59    HE3  LYS   9           1HE      LYS   9   6.975  13.883 -15.697
   60    HZ1  LYS   9           1HZ      LYS   9   5.271  15.201 -16.138
   61    HZ2  LYS   9           2HZ      LYS   9   4.927  15.362 -14.491
   62    HZ3  LYS   9           3HZ      LYS   9   4.206  14.122 -15.386
   63    H    GLN  10           H        GLN  10   6.196   7.881 -10.937
   64    HA   GLN  10           HA       GLN  10   4.853   5.781 -12.254
   65    HB2  GLN  10           2HB      GLN  10   7.089   5.509 -11.370
   66    HB3  GLN  10           1HB      GLN  10   6.531   5.859  -9.739
   67    HG2  GLN  10           2HG      GLN  10   5.201   3.801  -9.765
   68    HG3  GLN  10           1HG      GLN  10   5.780   3.455 -11.395
   69   HE21  GLN  10          1HE2      GLN  10   6.191   1.565  -9.582
   70   HE22  GLN  10          2HE2      GLN  10   7.847   1.498  -9.095
   71    H    SER  11           H        SER  11   3.154   4.498 -11.635
   72    HA   SER  11           HA       SER  11   1.218   5.569  -9.884
   73    HB2  SER  11           2HB      SER  11   1.408   2.729 -10.921
   74    HB3  SER  11           1HB      SER  11  -0.037   3.522 -10.293
   75    HG   SER  11           HG       SER  11   1.420   4.300 -12.602
   76    H    LYS  12           H        LYS  12   0.410   4.692  -7.897
   77    HA   LYS  12           HA       LYS  12   2.425   3.153  -6.396
   78    HB2  LYS  12           2HB      LYS  12   0.675   5.409  -5.403
   79    HB3  LYS  12           1HB      LYS  12   1.708   4.419  -4.380
   80    HG2  LYS  12           2HG      LYS  12   3.667   5.194  -5.682
   81    HG3  LYS  12           1HG      LYS  12   2.595   6.267  -6.585
   82    HD2  LYS  12           2HD      LYS  12   1.953   7.346  -4.444
   83    HD3  LYS  12           1HD      LYS  12   3.137   6.330  -3.617
   84    HE2  LYS  12           2HE      LYS  12   3.803   8.226  -5.865
   85    HE3  LYS  12           1HE      LYS  12   3.947   8.631  -4.156
   86    HZ1  LYS  12           1HZ      LYS  12   5.798   7.308  -5.775
   87    HZ2  LYS  12           2HZ      LYS  12   5.266   6.198  -4.614
   88    HZ3  LYS  12           3HZ      LYS  12   5.929   7.677  -4.128
   89    H    GLY  13           H        GLY  13   1.739   1.412  -5.284
   90    HA2  GLY  13           2HA      GLY  13   0.295  -0.074  -4.256
   91    HA3  GLY  13           1HA      GLY  13  -1.000   1.094  -4.462
   92    H    TYR  14           H        TYR  14   0.941   0.011  -7.152
   93    HA   TYR  14           HA       TYR  14  -1.421  -0.919  -8.504
   94    HB2  TYR  14           2HB      TYR  14   0.347   0.280  -9.713
   95    HB3  TYR  14           1HB      TYR  14   1.470  -1.035  -9.379
   96    HD1  TYR  14           1HD      TYR  14  -1.580  -0.094 -11.232
   97    HD2  TYR  14           2HD      TYR  14   1.443  -3.034 -10.676
   98    HE1  TYR  14           1HE      TYR  14  -2.322  -1.233 -13.280
   99    HE2  TYR  14           2HE      TYR  14   0.711  -4.183 -12.724
  100    HH   TYR  14           HH       TYR  14  -2.223  -3.455 -14.289
  101    H    TRP  15           H        TRP  15  -2.208  -2.894  -8.425
  102    HA   TRP  15           HA       TRP  15  -0.605  -5.062  -7.294
  103    HB2  TRP  15           2HB      TRP  15  -2.814  -6.302  -7.354
  104    HB3  TRP  15           1HB      TRP  15  -2.766  -4.884  -6.310
  105    HD1  TRP  15           HD       TRP  15  -4.214  -6.065  -9.669
  106    HE1  TRP  15           1HE      TRP  15  -6.201  -4.546 -10.274
  107    HE3  TRP  15           3HE      TRP  15  -3.772  -2.625  -5.915
  108    HZ2  TRP  15           2HZ      TRP  15  -7.424  -2.198  -9.285
  109    HZ3  TRP  15           3HZ      TRP  15  -5.391  -0.774  -5.813
  110    HH2  TRP  15           HH       TRP  15  -7.178  -0.567  -7.465
  111    H    GLN  16           H        GLN  16   0.461  -6.403  -8.578
  112    HA   GLN  16           HA       GLN  16  -0.162  -6.564 -11.410
  113    HB2  GLN  16           2HB      GLN  16   2.195  -6.452 -10.631
  114    HB3  GLN  16           1HB      GLN  16   1.974  -7.985  -9.800
  115    HG2  GLN  16           2HG      GLN  16   1.567  -9.094 -11.927
  116    HG3  GLN  16           1HG      GLN  16   1.749  -7.557 -12.771
  117   HE21  GLN  16          1HE2      GLN  16   3.312  -9.492 -13.628
  118   HE22  GLN  16          2HE2      GLN  16   4.943  -9.292 -13.097
  119    H    GLU  17           H        GLU  17  -1.226  -8.090 -12.393
  120    HA   GLU  17           HA       GLU  17  -2.864  -9.859 -11.022
  121    HB2  GLU  17           2HB      GLU  17  -2.036  -9.880 -13.922
  122    HB3  GLU  17           1HB      GLU  17  -3.352 -10.837 -13.255
  123    HG2  GLU  17           2HG      GLU  17  -4.474  -8.759 -12.559
  124    HG3  GLU  17           1HG      GLU  17  -3.179  -7.833 -13.316
  125    H    ASP  18           H        ASP  18  -2.990 -12.132 -11.039
  126    HA   ASP  18           HA       ASP  18  -0.733 -13.528 -10.167
  127    HB2  ASP  18           2HB      ASP  18  -3.270 -14.602 -11.405
  128    HB3  ASP  18           1HB      ASP  18  -2.112 -15.539 -10.464
  129    H    GLU  19           H        GLU  19  -2.273 -13.471 -13.361
  130    HA   GLU  19           HA       GLU  19  -0.581 -15.397 -14.536
  131    HB2  GLU  19           2HB      GLU  19  -2.295 -13.241 -15.755
  132    HB3  GLU  19           1HB      GLU  19  -1.456 -14.465 -16.697
  133    HG2  GLU  19           2HG      GLU  19  -2.704 -16.211 -15.498
  134    HG3  GLU  19           1HG      GLU  19  -3.574 -14.956 -14.615
  135    H    ASP  20           H        ASP  20  -0.426 -11.854 -14.505
  136    HA   ASP  20           HA       ASP  20   1.762 -11.668 -16.283
  137    HB2  ASP  20           2HB      ASP  20   0.765  -9.755 -14.160
  138    HB3  ASP  20           1HB      ASP  20   2.040  -9.364 -15.312
  139    H    ALA  21           H        ALA  21   1.495 -12.114 -12.845
  140    HA   ALA  21           HA       ALA  21   4.433 -12.251 -12.633
  141    HB1  ALA  21           1HB      ALA  21   2.670 -10.770 -11.114
  142    HB2  ALA  21           2HB      ALA  21   4.330 -11.175 -10.677
  143    HB3  ALA  21           3HB      ALA  21   2.997 -12.177 -10.101
  144    HA   PRO  22           HA       PRO  22   2.806 -16.597 -12.185
  145    HB2  PRO  22           2HB      PRO  22   4.600 -17.732 -13.858
  146    HB3  PRO  22           1HB      PRO  22   3.103 -16.991 -14.432
  147    HG2  PRO  22           2HG      PRO  22   5.870 -15.850 -14.372
  148    HG3  PRO  22           1HG      PRO  22   4.671 -15.802 -15.679
  149    HD2  PRO  22           2HD      PRO  22   5.084 -13.712 -14.008
  150    HD3  PRO  22           1HD      PRO  22   3.490 -14.077 -14.702
  151    H    ALA  23           H        ALA  23   5.734 -14.940 -11.699
  152    HA   ALA  23           HA       ALA  23   6.619 -16.997  -9.798
  153    HB1  ALA  23           1HB      ALA  23   8.115 -17.411 -11.546
  154    HB2  ALA  23           2HB      ALA  23   9.007 -16.334 -10.473
  155    HB3  ALA  23           3HB      ALA  23   8.268 -15.700 -11.944
  156    H    CYS  24           H        CYS  24   7.937 -16.144  -8.042
  157    HA   CYS  24           HA       CYS  24   6.941 -13.743  -7.021
  158    HB2  CYS  24           2HB      CYS  24   7.924 -15.710  -5.749
  159    HB3  CYS  24           1HB      CYS  24   9.510 -15.051  -6.140
  160    HG   CYS  24           HG       CYS  24   8.382 -14.282  -3.753
  161    H    ASN  25           H        ASN  25   7.435 -11.731  -7.406
  162    HA   ASN  25           HA       ASN  25   9.392 -10.882  -9.221
  163    HB2  ASN  25           2HB      ASN  25   7.804  -9.407  -7.124
  164    HB3  ASN  25           1HB      ASN  25   8.898  -8.590  -8.235
  165   HD21  ASN  25          1HD2      ASN  25   5.803  -9.866  -7.776
  166   HD22  ASN  25          2HD2      ASN  25   5.212  -9.659  -9.386
  167    H    GLY  26           H        GLY  26   9.554 -11.502  -5.801
  168    HA2  GLY  26           2HA      GLY  26  12.009  -9.991  -5.478
  169    HA3  GLY  26           1HA      GLY  26  11.158 -10.881  -4.230
  170    H    CYS  27           H        CYS  27  11.123 -13.432  -4.976
  171    HA   CYS  27           HA       CYS  27  13.980 -14.060  -5.161
  172    HB2  CYS  27           2HB      CYS  27  13.453 -16.155  -4.056
  173    HB3  CYS  27           1HB      CYS  27  12.783 -14.809  -3.140
  174    HG   CYS  27           HG       CYS  27  11.169 -17.032  -3.694
  175    H    GLY  28           H        GLY  28  11.343 -14.066  -7.202
  176    HA2  GLY  28           2HA      GLY  28  11.143 -14.914  -9.320
  177    HA3  GLY  28           1HA      GLY  28  12.755 -15.584  -9.143
  178    H    CYS  29           H        CYS  29  10.718 -16.614  -6.635
  179    HA   CYS  29           HA       CYS  29  10.776 -19.296  -7.602
  180    HB2  CYS  29           2HB      CYS  29   9.814 -19.937  -5.565
  181    HB3  CYS  29           1HB      CYS  29  10.768 -18.517  -5.148
  182    HG   CYS  29           HG       CYS  29   8.074 -18.714  -4.324
  183    H    VAL  30           H        VAL  30   9.156 -20.567  -8.398
  184    HA   VAL  30           HA       VAL  30   7.066 -19.159  -9.792
  185    HB   VAL  30           HB       VAL  30   7.076 -22.120  -9.743
  186   HG11  VAL  30          1HG1      VAL  30   7.012 -21.418 -12.320
  187   HG12  VAL  30          2HG1      VAL  30   6.417 -19.920 -11.602
  188   HG13  VAL  30          3HG1      VAL  30   5.576 -21.440 -11.295
  189   HG21  VAL  30          1HG2      VAL  30   8.924 -21.708 -11.665
  190   HG22  VAL  30          2HG2      VAL  30   9.316 -22.177 -10.011
  191   HG23  VAL  30          3HG2      VAL  30   9.407 -20.483 -10.493
  192    H    PHE  31           H        PHE  31   4.921 -19.199  -9.433
  193    HA   PHE  31           HA       PHE  31   4.026 -20.068  -6.824
  194    HB2  PHE  31           2HB      PHE  31   2.611 -18.617  -9.067
  195    HB3  PHE  31           1HB      PHE  31   1.857 -19.017  -7.528
  196    HD1  PHE  31           2HD      PHE  31   2.734 -17.997  -5.432
  197    HD2  PHE  31           1HD      PHE  31   4.040 -16.757  -9.286
  198    HE1  PHE  31           2HE      PHE  31   3.614 -15.915  -4.459
  199    HE2  PHE  31           1HE      PHE  31   4.924 -14.673  -8.322
  200    HZ   PHE  31           HZ       PHE  31   4.710 -14.250  -5.905
  201    H    THR  32           H        THR  32   2.803 -21.748  -6.373
  202    HA   THR  32           HA       THR  32   1.724 -23.369  -8.579
  203    HB   THR  32           HB       THR  32   2.416 -25.396  -7.505
  204    HG1  THR  32           1HG      THR  32   2.749 -23.737  -5.338
  205   HG21  THR  32          1HG2      THR  32   4.900 -23.854  -7.059
  206   HG22  THR  32          2HG2      THR  32   4.199 -23.828  -8.678
  207   HG23  THR  32          3HG2      THR  32   4.637 -25.364  -7.930
  208    H    THR  33           H        THR  33   0.154 -25.064  -7.681
  209    HA   THR  33           HA       THR  33  -2.104 -23.864  -6.685
  210    HB   THR  33           HB       THR  33  -1.302 -26.747  -6.273
  211    HG1  THR  33           1HG      THR  33  -2.950 -26.442  -8.305
  212   HG21  THR  33          1HG2      THR  33  -3.683 -27.227  -6.371
  213   HG22  THR  33          2HG2      THR  33  -4.033 -25.502  -6.466
  214   HG23  THR  33          3HG2      THR  33  -3.296 -26.172  -5.011
  215    H    THR  34           H        THR  34   0.462 -25.463  -4.806
  216    HA   THR  34           HA       THR  34  -0.947 -25.165  -2.347
  217    HB   THR  34           HB       THR  34   1.078 -25.937  -1.269
  218    HG1  THR  34           1HG      THR  34   2.549 -25.997  -3.619
  219   HG21  THR  34          1HG2      THR  34   1.101 -27.402  -3.876
  220   HG22  THR  34          2HG2      THR  34  -0.238 -27.562  -2.738
  221   HG23  THR  34          3HG2      THR  34   1.395 -28.019  -2.250
  222    H    VAL  35           H        VAL  35   1.222 -23.092  -4.156
  223    HA   VAL  35           HA       VAL  35   1.508 -21.320  -1.850
  224    HB   VAL  35           HB       VAL  35   2.681 -21.148  -4.619
  225   HG11  VAL  35          1HG1      VAL  35   2.260 -18.925  -3.669
  226   HG12  VAL  35          2HG1      VAL  35   3.983 -19.269  -3.807
  227   HG13  VAL  35          3HG1      VAL  35   3.186 -19.375  -2.237
  228   HG21  VAL  35          1HG2      VAL  35   4.183 -22.576  -3.795
  229   HG22  VAL  35          2HG2      VAL  35   3.522 -22.437  -2.167
  230   HG23  VAL  35          3HG2      VAL  35   4.712 -21.267  -2.738
  231    H    ARG  36           H        ARG  36  -0.048 -19.986  -1.477
  232    HA   ARG  36           HA       ARG  36  -1.956 -19.118  -3.432
  233    HB2  ARG  36           2HB      ARG  36  -1.443 -18.176  -0.603
  234    HB3  ARG  36           1HB      ARG  36  -2.822 -17.706  -1.586
  235    HG2  ARG  36           2HG      ARG  36  -3.539 -20.052  -1.676
  236    HG3  ARG  36           1HG      ARG  36  -2.175 -20.492  -0.646
  237    HD2  ARG  36           2HD      ARG  36  -3.072 -18.904   1.067
  238    HD3  ARG  36           1HD      ARG  36  -4.502 -18.708   0.056
  239    HE   ARG  36           HE       ARG  36  -3.917 -21.447   0.680
  240   HH11  ARG  36          1HH1      ARG  36  -5.467 -18.540   1.805
  241   HH12  ARG  36          2HH1      ARG  36  -6.582 -19.377   2.833
  242   HH21  ARG  36          1HH2      ARG  36  -5.382 -22.561   2.033
  243   HH22  ARG  36          2HH2      ARG  36  -6.533 -21.663   2.964
  244    H    ARG  37           H        ARG  37  -2.225 -17.099  -4.319
  245    HA   ARG  37           HA       ARG  37   0.197 -15.608  -4.744
  246    HB2  ARG  37           2HB      ARG  37  -1.601 -16.039  -6.485
  247    HB3  ARG  37           1HB      ARG  37  -2.582 -14.847  -5.645
  248    HG2  ARG  37           2HG      ARG  37  -1.648 -13.414  -7.088
  249    HG3  ARG  37           1HG      ARG  37  -0.284 -13.464  -5.972
  250    HD2  ARG  37           2HD      ARG  37   0.271 -13.796  -8.413
  251    HD3  ARG  37           1HD      ARG  37   0.880 -15.025  -7.307
  252    HE   ARG  37           HE       ARG  37  -1.658 -15.720  -8.420
  253   HH11  ARG  37          1HH1      ARG  37   1.770 -15.683  -9.028
  254   HH12  ARG  37          2HH1      ARG  37   1.715 -16.994 -10.158
  255   HH21  ARG  37          1HH2      ARG  37  -1.742 -17.448  -9.905
  256   HH22  ARG  37          2HH2      ARG  37  -0.282 -17.995 -10.659
  257    H    HIS  38           H        HIS  38   0.729 -13.600  -3.982
  258    HA   HIS  38           HA       HIS  38  -1.198 -12.194  -2.303
  259    HB2  HIS  38           2HB      HIS  38   1.559 -12.998  -1.360
  260    HB3  HIS  38           1HB      HIS  38   0.472 -11.913  -0.499
  261    HD1  HIS  38           1HD      HIS  38  -1.938 -13.104   0.137
  262    HD2  HIS  38           2HD      HIS  38   1.304 -15.587  -0.632
  263    HE1  HIS  38           1HE      HIS  38  -2.540 -15.328   1.144
  264    HE2  HIS  38           2HE      HIS  38  -0.530 -16.791   0.738
  265    H    HIS  39           H        HIS  39  -0.472 -10.006  -1.732
  266    HA   HIS  39           HA       HIS  39   1.464  -8.920  -3.671
  267    HB2  HIS  39           2HB      HIS  39  -1.252  -7.786  -2.987
  268    HB3  HIS  39           1HB      HIS  39  -0.037  -6.954  -3.952
  269    HD1  HIS  39           1HD      HIS  39  -2.574  -9.675  -4.110
  270    HD2  HIS  39           2HD      HIS  39   0.316  -7.969  -6.558
  271    HE1  HIS  39           1HE      HIS  39  -3.056 -10.540  -6.422
  272    HE2  HIS  39           2HE      HIS  39  -1.233  -9.572  -7.867
  273    H    CYS  40           H        CYS  40   2.634  -7.100  -3.041
  274    HA   CYS  40           HA       CYS  40   2.819  -6.669  -0.160
  275    HB2  CYS  40           2HB      CYS  40   4.912  -7.059  -1.293
  276    HB3  CYS  40           1HB      CYS  40   4.532  -5.857  -2.519
  277    HG   CYS  40           HG       CYS  40   6.233  -4.952  -0.678
  278    H    ARG  41           H        ARG  41   2.279  -4.766   0.810
  279    HA   ARG  41           HA       ARG  41   0.439  -3.070  -0.527
  280    HB2  ARG  41           2HB      ARG  41   1.739  -2.762   2.182
  281    HB3  ARG  41           1HB      ARG  41   0.353  -1.844   1.610
  282    HG2  ARG  41           2HG      ARG  41   0.383  -4.840   1.882
  283    HG3  ARG  41           1HG      ARG  41  -0.207  -3.735   3.126
  284    HD2  ARG  41           2HD      ARG  41  -1.263  -3.909   0.308
  285    HD3  ARG  41           1HD      ARG  41  -2.018  -4.644   1.720
  286    HE   ARG  41           HE       ARG  41  -1.763  -1.997   2.361
  287   HH11  ARG  41          1HH1      ARG  41  -3.258  -3.786  -0.225
  288   HH12  ARG  41          2HH1      ARG  41  -4.506  -2.614  -0.488
  289   HH21  ARG  41          1HH2      ARG  41  -3.402  -0.448   2.021
  290   HH22  ARG  41          2HH2      ARG  41  -4.586  -0.718   0.787
  291    H    ASN  42           H        ASN  42   3.763  -3.024  -0.566
  292    HA   ASN  42           HA       ASN  42   3.933  -0.115  -0.816
  293    HB2  ASN  42           2HB      ASN  42   6.042  -2.243  -0.460
  294    HB3  ASN  42           1HB      ASN  42   6.422  -0.556  -0.774
  295   HD21  ASN  42          1HD2      ASN  42   6.497  -2.634   1.577
  296   HD22  ASN  42          2HD2      ASN  42   6.014  -1.665   2.922
  297    H    CYS  43           H        CYS  43   5.637  -2.780  -2.459
  298    HA   CYS  43           HA       CYS  43   5.865  -1.222  -4.843
  299    HB2  CYS  43           2HB      CYS  43   6.975  -3.198  -5.788
  300    HB3  CYS  43           1HB      CYS  43   7.628  -2.777  -4.211
  301    HG   CYS  43           HG       CYS  43   5.566  -4.912  -3.863
  302    H    GLY  44           H        GLY  44   3.587  -3.546  -3.673
  303    HA2  GLY  44           2HA      GLY  44   1.546  -4.162  -4.557
  304    HA3  GLY  44           1HA      GLY  44   1.839  -3.036  -5.875
  305    H    TYR  45           H        TYR  45   4.221  -5.435  -5.221
  306    HA   TYR  45           HA       TYR  45   3.526  -6.781  -7.729
  307    HB2  TYR  45           2HB      TYR  45   6.079  -6.920  -6.110
  308    HB3  TYR  45           1HB      TYR  45   5.805  -7.694  -7.664
  309    HD1  TYR  45           1HD      TYR  45   4.435  -5.532  -9.147
  310    HD2  TYR  45           2HD      TYR  45   7.789  -5.388  -6.535
  311    HE1  TYR  45           1HE      TYR  45   5.244  -3.520 -10.307
  312    HE2  TYR  45           2HE      TYR  45   8.607  -3.373  -7.686
  313    HH   TYR  45           HH       TYR  45   6.956  -2.083 -10.537
  314    H    VAL  46           H        VAL  46   3.846  -9.131  -7.814
  315    HA   VAL  46           HA       VAL  46   2.407 -10.337  -5.645
  316    HB   VAL  46           HB       VAL  46   3.587 -11.629  -8.111
  317   HG11  VAL  46          1HG1      VAL  46   1.416 -12.782  -6.394
  318   HG12  VAL  46          2HG1      VAL  46   3.118 -13.095  -6.057
  319   HG13  VAL  46          3HG1      VAL  46   2.419 -13.585  -7.600
  320   HG21  VAL  46          1HG2      VAL  46   0.944 -10.369  -7.506
  321   HG22  VAL  46          2HG2      VAL  46   1.043 -11.693  -8.668
  322   HG23  VAL  46          3HG2      VAL  46   1.960 -10.212  -8.939
  323    H    LEU  47           H        LEU  47   3.199 -11.430  -3.966
  324    HA   LEU  47           HA       LEU  47   5.967 -12.422  -4.087
  325    HB2  LEU  47           2HB      LEU  47   4.682 -10.847  -1.853
  326    HB3  LEU  47           1HB      LEU  47   6.142 -11.785  -1.641
  327    HG   LEU  47           HG       LEU  47   6.539  -9.364  -1.914
  328   HD11  LEU  47          1HD1      LEU  47   7.722 -11.412  -3.685
  329   HD12  LEU  47          2HD1      LEU  47   8.458 -10.453  -2.403
  330   HD13  LEU  47          3HD1      LEU  47   8.146  -9.727  -3.979
  331   HD21  LEU  47          1HD2      LEU  47   4.648  -9.424  -3.835
  332   HD22  LEU  47          2HD2      LEU  47   6.117  -9.436  -4.812
  333   HD23  LEU  47          3HD2      LEU  47   5.842  -8.139  -3.646
  334    H    CYS  48           H        CYS  48   6.279 -14.406  -3.171
  335    HA   CYS  48           HA       CYS  48   3.937 -15.917  -2.436
  336    HB2  CYS  48           2HB      CYS  48   5.268 -17.812  -2.594
  337    HB3  CYS  48           1HB      CYS  48   6.134 -16.717  -3.669
  338    HG   CYS  48           HG       CYS  48   8.095 -16.917  -2.231
  339    H    GLY  49           H        GLY  49   4.325 -17.412  -0.323
  340    HA2  GLY  49           2HA      GLY  49   4.025 -15.752   1.871
  341    HA3  GLY  49           1HA      GLY  49   4.465 -17.451   1.968
  342    H    ASP  50           H        ASP  50   6.916 -17.644   1.023
  343    HA   ASP  50           HA       ASP  50   8.566 -16.765   3.071
  344    HB2  ASP  50           2HB      ASP  50   9.163 -17.740   0.289
  345    HB3  ASP  50           1HB      ASP  50  10.447 -17.303   1.409
  346    H    CYS  51           H        CYS  51   7.855 -15.202   0.029
  347    HA   CYS  51           HA       CYS  51   9.853 -13.150   0.519
  348    HB2  CYS  51           2HB      CYS  51   8.148 -13.936  -1.777
  349    HB3  CYS  51           1HB      CYS  51   8.603 -12.238  -1.670
  350    HG   CYS  51           HG       CYS  51  10.682 -14.544  -1.908
  351    H    SER  52           H        SER  52   6.813 -13.723   1.615
  352    HA   SER  52           HA       SER  52   6.329 -10.865   2.055
  353    HB2  SER  52           2HB      SER  52   3.974 -11.101   1.687
  354    HB3  SER  52           1HB      SER  52   4.779 -11.817   0.290
  355    HG   SER  52           HG       SER  52   4.562 -13.827   1.782
  356    H    ARG  53           H        ARG  53   7.571 -13.060   3.610
  357    HA   ARG  53           HA       ARG  53   5.704 -13.696   5.704
  358    HB2  ARG  53           2HB      ARG  53   8.648 -14.193   5.340
  359    HB3  ARG  53           1HB      ARG  53   7.846 -14.534   6.868
  360    HG2  ARG  53           2HG      ARG  53   6.272 -16.012   5.598
  361    HG3  ARG  53           1HG      ARG  53   7.306 -15.778   4.190
  362    HD2  ARG  53           2HD      ARG  53   9.212 -16.666   5.464
  363    HD3  ARG  53           1HD      ARG  53   8.139 -16.956   6.833
  364    HE   ARG  53           HE       ARG  53   8.365 -18.535   4.436
  365   HH11  ARG  53          1HH1      ARG  53   6.343 -17.665   7.132
  366   HH12  ARG  53          2HH1      ARG  53   5.392 -19.110   7.056
  367   HH21  ARG  53          1HH2      ARG  53   7.121 -20.451   4.327
  368   HH22  ARG  53          2HH2      ARG  53   5.836 -20.696   5.462
  369    H    HIS  54           H        HIS  54   7.882 -11.090   5.027
  370    HA   HIS  54           HA       HIS  54   8.197 -10.298   7.764
  371    HB2  HIS  54           2HB      HIS  54   8.753  -8.821   5.185
  372    HB3  HIS  54           1HB      HIS  54   9.146  -8.198   6.778
  373    HD1  HIS  54           1HD      HIS  54  11.051  -9.459   8.096
  374    HD2  HIS  54           2HD      HIS  54  10.538 -10.656   4.149
  375    HE1  HIS  54           1HE      HIS  54  13.117 -10.773   7.518
  376    HE2  HIS  54           2HE      HIS  54  12.775 -11.504   5.131
  377    H    ARG  55           H        ARG  55   7.509  -8.172   8.543
  378    HA   ARG  55           HA       ARG  55   5.021  -7.194   7.355
  379    HB2  ARG  55           2HB      ARG  55   5.322  -7.900  10.283
  380    HB3  ARG  55           1HB      ARG  55   3.918  -7.134   9.546
  381    HG2  ARG  55           2HG      ARG  55   3.592  -9.134   8.148
  382    HG3  ARG  55           1HG      ARG  55   4.942  -9.906   8.979
  383    HD2  ARG  55           2HD      ARG  55   2.350  -8.981  10.209
  384    HD3  ARG  55           1HD      ARG  55   2.857 -10.648   9.947
  385    HE   ARG  55           HE       ARG  55   4.818  -9.533  11.510
  386   HH11  ARG  55          1HH1      ARG  55   1.376 -10.008  11.762
  387   HH12  ARG  55          2HH1      ARG  55   1.386 -10.118  13.490
  388   HH21  ARG  55          1HH2      ARG  55   4.844  -9.677  13.787
  389   HH22  ARG  55          2HH2      ARG  55   3.359  -9.930  14.643
  390    H    ALA  56           H        ALA  56   4.756  -5.022   7.513
  391    HA   ALA  56           HA       ALA  56   6.282  -3.442   9.398
  392    HB1  ALA  56           1HB      ALA  56   8.079  -3.142   8.126
  393    HB2  ALA  56           2HB      ALA  56   7.055  -2.201   7.043
  394    HB3  ALA  56           3HB      ALA  56   7.311  -3.918   6.741
  395    H    ALA  57           H        ALA  57   5.707  -1.208   9.436
  396    HA   ALA  57           HA       ALA  57   3.054  -0.708   8.331
  397    HB1  ALA  57           1HB      ALA  57   3.074   1.274   9.807
  398    HB2  ALA  57           2HB      ALA  57   4.705   0.847  10.325
  399    HB3  ALA  57           3HB      ALA  57   3.356  -0.227  10.691
  400    H    ILE  58           H        ILE  58   2.623   1.106   7.001
  401    HA   ILE  58           HA       ILE  58   5.005   2.379   5.842
  402    HB   ILE  58           HB       ILE  58   2.583   1.852   4.176
  403   HG12  ILE  58          2HG1      ILE  58   4.816  -0.152   4.558
  404   HG13  ILE  58          1HG1      ILE  58   3.238  -0.293   5.325
  405   HG21  ILE  58          1HG2      ILE  58   4.203   1.843   2.380
  406   HG22  ILE  58          2HG2      ILE  58   5.528   1.930   3.538
  407   HG23  ILE  58          3HG2      ILE  58   4.415   3.287   3.367
  408   HD11  ILE  58          1HD1      ILE  58   3.997  -1.290   2.857
  409   HD12  ILE  58          2HD1      ILE  58   2.978   0.099   2.483
  410   HD13  ILE  58          3HD1      ILE  58   2.363  -1.198   3.508
  411    HA   PRO  59           HA       PRO  59   2.087   5.577   7.501
  412    HB2  PRO  59           2HB      PRO  59   4.107   7.257   8.272
  413    HB3  PRO  59           1HB      PRO  59   3.415   6.001   9.300
  414    HG2  PRO  59           2HG      PRO  59   5.916   5.932   7.655
  415    HG3  PRO  59           1HG      PRO  59   5.641   5.332   9.301
  416    HD2  PRO  59           2HD      PRO  59   5.679   3.676   7.188
  417    HD3  PRO  59           1HD      PRO  59   4.581   3.409   8.560
  418    H    MET  60           H        MET  60   4.290   5.412   4.911
  419    HA   MET  60           HA       MET  60   3.737   8.161   4.074
  420    HB2  MET  60           2HB      MET  60   5.510   6.016   2.878
  421    HB3  MET  60           1HB      MET  60   5.322   7.639   2.232
  422    HG2  MET  60           2HG      MET  60   6.191   8.526   4.388
  423    HG3  MET  60           1HG      MET  60   6.522   6.865   4.877
  424    HE1  MET  60           1HE      MET  60   7.749   5.256   3.455
  425    HE2  MET  60           2HE      MET  60   9.292   5.649   2.698
  426    HE3  MET  60           3HE      MET  60   7.804   5.716   1.753
  427    H    ARG  61           H        ARG  61   3.193   4.825   3.331
  428    HA   ARG  61           HA       ARG  61   1.574   5.404   0.977
  429    HB2  ARG  61           2HB      ARG  61   2.221   2.760   2.287
  430    HB3  ARG  61           1HB      ARG  61   1.442   2.980   0.726
  431    HG2  ARG  61           2HG      ARG  61   3.545   4.220   0.018
  432    HG3  ARG  61           1HG      ARG  61   4.281   3.594   1.488
  433    HD2  ARG  61           2HD      ARG  61   4.884   2.027  -0.118
  434    HD3  ARG  61           1HD      ARG  61   3.478   1.296   0.657
  435    HE   ARG  61           HE       ARG  61   2.354   1.454  -1.324
  436   HH11  ARG  61          1HH1      ARG  61   5.138   3.542  -1.431
  437   HH12  ARG  61          2HH1      ARG  61   4.923   3.959  -3.098
  438   HH21  ARG  61          1HH2      ARG  61   2.055   2.000  -3.515
  439   HH22  ARG  61          2HH2      ARG  61   3.168   3.081  -4.285
  440    H    GLY  62           H        GLY  62   0.708   6.313   3.615
  441    HA2  GLY  62           2HA      GLY  62  -1.290   6.541   4.721
  442    HA3  GLY  62           1HA      GLY  62  -2.025   5.633   3.412
  443    H    ILE  63           H        ILE  63   0.563   4.154   5.208
  444    HA   ILE  63           HA       ILE  63  -1.434   2.488   6.599
  445    HB   ILE  63           HB       ILE  63   1.270   1.650   5.537
  446   HG12  ILE  63          2HG1      ILE  63  -1.504   0.831   4.651
  447   HG13  ILE  63          1HG1      ILE  63  -0.484   1.990   3.806
  448   HG21  ILE  63          1HG2      ILE  63  -0.821   0.130   7.074
  449   HG22  ILE  63          2HG2      ILE  63   0.862   0.417   7.518
  450   HG23  ILE  63          3HG2      ILE  63   0.476  -0.649   6.164
  451   HD11  ILE  63          1HD1      ILE  63   0.697  -0.658   4.339
  452   HD12  ILE  63          2HD1      ILE  63   0.833   0.390   2.926
  453   HD13  ILE  63          3HD1      ILE  63  -0.613  -0.591   3.161
  454    H    THR  64           H        THR  64  -1.428   3.303   8.636
  455    HA   THR  64           HA       THR  64   1.070   4.103   9.881
  456    HB   THR  64           HB       THR  64  -0.353   4.821  11.767
  457    HG1  THR  64           1HG      THR  64  -2.749   4.655  10.711
  458   HG21  THR  64          1HG2      THR  64  -1.345   6.665  10.764
  459   HG22  THR  64          2HG2      THR  64  -1.688   5.789   9.272
  460   HG23  THR  64          3HG2      THR  64  -0.030   6.243   9.668
  461    H    GLU  65           H        GLU  65  -0.995   1.362   9.814
  462    HA   GLU  65           HA       GLU  65   0.259   0.243  12.219
  463    HB2  GLU  65           2HB      GLU  65  -1.868  -1.162  10.638
  464    HB3  GLU  65           1HB      GLU  65  -1.502  -1.281  12.353
  465    HG2  GLU  65           2HG      GLU  65  -2.615   0.693  12.857
  466    HG3  GLU  65           1HG      GLU  65  -2.552   1.265  11.190
  467    HA   PRO  66           HA       PRO  66   3.062  -2.132   9.829
  468    HB2  PRO  66           2HB      PRO  66   3.120  -4.465  11.325
  469    HB3  PRO  66           1HB      PRO  66   4.060  -3.016  11.692
  470    HG2  PRO  66           2HG      PRO  66   1.475  -3.946  12.864
  471    HG3  PRO  66           1HG      PRO  66   2.855  -3.170  13.662
  472    HD2  PRO  66           2HD      PRO  66   0.609  -1.810  13.059
  473    HD3  PRO  66           1HD      PRO  66   2.213  -1.050  12.984
  474    H    GLU  67           H        GLU  67   2.623  -3.032   7.962
  475    HA   GLU  67           HA       GLU  67   0.556  -5.116   7.822
  476    HB2  GLU  67           2HB      GLU  67   1.127  -2.944   5.799
  477    HB3  GLU  67           1HB      GLU  67  -0.026  -4.245   5.579
  478    HG2  GLU  67           2HG      GLU  67  -1.267  -3.416   7.556
  479    HG3  GLU  67           1HG      GLU  67  -0.160  -2.047   7.618
  480    H    ARG  68           H        ARG  68   0.770  -6.482   5.845
  481    HA   ARG  68           HA       ARG  68   3.365  -7.602   5.742
  482    HB2  ARG  68           2HB      ARG  68   2.425  -9.171   4.155
  483    HB3  ARG  68           1HB      ARG  68   1.318  -8.915   5.499
  484    HG2  ARG  68           2HG      ARG  68   0.097  -7.272   4.040
  485    HG3  ARG  68           1HG      ARG  68   1.102  -7.831   2.701
  486    HD2  ARG  68           2HD      ARG  68   0.295 -10.145   3.156
  487    HD3  ARG  68           1HD      ARG  68  -0.810  -9.475   4.355
  488    HE   ARG  68           HE       ARG  68  -1.303  -8.100   2.016
  489   HH11  ARG  68          1HH1      ARG  68  -1.414 -11.412   3.090
  490   HH12  ARG  68          2HH1      ARG  68  -2.682 -11.860   1.999
  491   HH21  ARG  68          1HH2      ARG  68  -2.973  -8.679   0.573
  492   HH22  ARG  68          2HH2      ARG  68  -3.569 -10.306   0.568
  493    H    VAL  69           H        VAL  69   4.945  -7.495   4.320
  494    HA   VAL  69           HA       VAL  69   4.650  -6.083   1.773
  495    HB   VAL  69           HB       VAL  69   6.671  -4.746   2.144
  496   HG11  VAL  69          1HG1      VAL  69   4.714  -3.528   2.478
  497   HG12  VAL  69          2HG1      VAL  69   5.666  -3.207   3.931
  498   HG13  VAL  69          3HG1      VAL  69   4.339  -4.366   3.987
  499   HG21  VAL  69          1HG2      VAL  69   7.991  -5.767   3.724
  500   HG22  VAL  69          2HG2      VAL  69   6.627  -6.142   4.779
  501   HG23  VAL  69          3HG2      VAL  69   7.251  -4.496   4.701
  502    H    CYS  70           H        CYS  70   6.966  -6.170   0.682
  503    HA   CYS  70           HA       CYS  70   7.808  -8.960   0.854
  504    HB2  CYS  70           2HB      CYS  70   8.487  -8.836  -1.348
  505    HB3  CYS  70           1HB      CYS  70   7.154  -7.694  -1.347
  506    HG   CYS  70           HG       CYS  70   8.862  -5.757  -1.395
  507    H    ASP  71           H        ASP  71  10.370  -8.803  -0.128
  508    HA   ASP  71           HA       ASP  71  11.757  -7.935   2.243
  509    HB2  ASP  71           2HB      ASP  71  12.795  -9.147  -0.330
  510    HB3  ASP  71           1HB      ASP  71  13.784  -8.837   1.094
  511    H    ALA  72           H        ALA  72  11.740  -6.820  -1.136
  512    HA   ALA  72           HA       ALA  72  13.787  -4.895  -0.755
  513    HB1  ALA  72           1HB      ALA  72  11.887  -4.172  -2.821
  514    HB2  ALA  72           2HB      ALA  72  12.365  -5.866  -2.918
  515    HB3  ALA  72           3HB      ALA  72  13.593  -4.600  -2.953
  516    H    CYS  73           H        CYS  73  10.252  -4.610  -0.707
  517    HA   CYS  73           HA       CYS  73  10.164  -1.830  -0.264
  518    HB2  CYS  73           2HB      CYS  73   8.125  -3.901   0.584
  519    HB3  CYS  73           1HB      CYS  73   7.841  -2.178   0.348
  520    HG   CYS  73           HG       CYS  73   7.671  -2.515  -2.093
  521    H    TYR  74           H        TYR  74  10.243  -4.596   1.933
  522    HA   TYR  74           HA       TYR  74   9.828  -3.235   4.338
  523    HB2  TYR  74           2HB      TYR  74   9.891  -5.718   4.085
  524    HB3  TYR  74           1HB      TYR  74  11.634  -5.623   3.864
  525    HD1  TYR  74           1HD      TYR  74   8.908  -4.988   6.296
  526    HD2  TYR  74           2HD      TYR  74  13.082  -5.574   5.721
  527    HE1  TYR  74           1HE      TYR  74   9.208  -5.188   8.730
  528    HE2  TYR  74           2HE      TYR  74  13.395  -5.774   8.151
  529    HH   TYR  74           HH       TYR  74  10.636  -5.648  10.379
  530    H    LEU  75           H        LEU  75  12.720  -3.744   2.414
  531    HA   LEU  75           HA       LEU  75  14.551  -2.548   4.237
  532    HB2  LEU  75           2HB      LEU  75  14.594  -3.449   1.409
  533    HB3  LEU  75           1HB      LEU  75  15.837  -2.324   1.916
  534    HG   LEU  75           HG       LEU  75  15.336  -4.832   3.482
  535   HD11  LEU  75          1HD1      LEU  75  17.315  -4.704   1.234
  536   HD12  LEU  75          2HD1      LEU  75  15.668  -5.286   0.984
  537   HD13  LEU  75          3HD1      LEU  75  16.732  -6.114   2.122
  538   HD21  LEU  75          1HD2      LEU  75  17.958  -3.481   2.988
  539   HD22  LEU  75          2HD2      LEU  75  17.453  -4.481   4.350
  540   HD23  LEU  75          3HD2      LEU  75  16.833  -2.838   4.185
  541    H    ALA  76           H        ALA  76  13.036  -1.302   1.261
  542    HA   ALA  76           HA       ALA  76  14.256   1.193   1.272
  543    HB1  ALA  76           1HB      ALA  76  13.169   0.685  -0.706
  544    HB2  ALA  76           2HB      ALA  76  12.105   1.899   0.005
  545    HB3  ALA  76           3HB      ALA  76  11.689   0.189   0.115
  546    H    LEU  77           H        LEU  77  11.212   0.213   2.803
  547    HA   LEU  77           HA       LEU  77  10.546   2.794   3.769
  548    HB2  LEU  77           2HB      LEU  77   9.730   0.043   4.684
  549    HB3  LEU  77           1HB      LEU  77   9.068   1.517   5.353
  550    HG   LEU  77           HG       LEU  77   8.853   0.698   2.454
  551   HD11  LEU  77          1HD1      LEU  77   6.460   0.334   3.025
  552   HD12  LEU  77          2HD1      LEU  77   6.888   0.504   4.726
  553   HD13  LEU  77          3HD1      LEU  77   7.564  -0.817   3.773
  554   HD21  LEU  77          1HD2      LEU  77   7.061   2.493   2.485
  555   HD22  LEU  77          2HD2      LEU  77   8.732   3.055   2.561
  556   HD23  LEU  77          3HD2      LEU  77   7.750   3.015   4.024
  557    H    ARG  78           H        ARG  78  12.434   0.140   5.090
  558    HA   ARG  78           HA       ARG  78  12.709   1.188   7.700
  559    HB2  ARG  78           2HB      ARG  78  14.242  -0.848   6.119
  560    HB3  ARG  78           1HB      ARG  78  14.757  -0.365   7.729
  561    HG2  ARG  78           2HG      ARG  78  12.545  -1.034   8.596
  562    HG3  ARG  78           1HG      ARG  78  12.118  -1.607   6.984
  563    HD2  ARG  78           2HD      ARG  78  13.335  -3.478   7.203
  564    HD3  ARG  78           1HD      ARG  78  14.674  -2.627   7.970
  565    HE   ARG  78           HE       ARG  78  12.373  -2.966   9.666
  566   HH11  ARG  78          1HH1      ARG  78  15.338  -4.394   8.532
  567   HH12  ARG  78          2HH1      ARG  78  15.549  -5.386   9.935
  568   HH21  ARG  78          1HH2      ARG  78  12.642  -4.267  11.521
  569   HH22  ARG  78          2HH2      ARG  78  14.014  -5.318  11.634
  570    H    SER  79           H        SER  79  13.910   2.373   4.805
  571    HA   SER  79           HA       SER  79  16.549   3.074   5.447
  572    HB2  SER  79           2HB      SER  79  14.541   4.416   3.628
  573    HB3  SER  79           1HB      SER  79  16.244   4.860   3.709
  574    HG   SER  79           HG       SER  79  15.768   3.347   2.029
  575    H    SER  80           H        SER  80  14.112   5.603   5.068
  576    HA   SER  80           HA       SER  80  14.879   6.672   7.698
  577    HB2  SER  80           2HB      SER  80  14.616   8.253   5.131
  578    HB3  SER  80           1HB      SER  80  14.863   8.955   6.729
  579    HG   SER  80           HG       SER  80  16.838   8.737   5.647
  580    H    ASN  81           H        ASN  81  13.288   7.733   8.843
  581    HA   ASN  81           HA       ASN  81  10.629   6.962   8.400
  582    HB2  ASN  81           2HB      ASN  81  11.757   9.176  10.125
  583    HB3  ASN  81           1HB      ASN  81  10.085   8.628  10.185
  584   HD21  ASN  81          1HD2      ASN  81  11.785   8.598  12.380
  585   HD22  ASN  81          2HD2      ASN  81  12.077   6.957  12.835
  586    H    MET  82           H        MET  82  12.425   9.825   7.489
  587    HA   MET  82           HA       MET  82  10.053  11.171   6.486
  588    HB2  MET  82           2HB      MET  82  12.973  11.953   6.428
  589    HB3  MET  82           1HB      MET  82  11.658  12.960   5.839
  590    HG2  MET  82           2HG      MET  82  12.076  12.040   8.673
  591    HG3  MET  82           1HG      MET  82  12.343  13.664   8.044
  592    HE1  MET  82           1HE      MET  82  10.018  14.086   6.105
  593    HE2  MET  82           2HE      MET  82  10.299  15.335   7.318
  594    HE3  MET  82           3HE      MET  82   8.672  14.700   7.065
  595    H    ALA  83           H        ALA  83   9.489  11.377   4.370
  596    HA   ALA  83           HA       ALA  83  10.331   9.446   2.523
  597    HB1  ALA  83           1HB      ALA  83   8.209  10.245   2.101
  598    HB2  ALA  83           2HB      ALA  83   9.152  11.073   0.861
  599    HB3  ALA  83           3HB      ALA  83   8.681  11.928   2.331
  600    H    GLY  84           H        GLY  84  11.630   9.542   0.695
  601    HA2  GLY  84           2HA      GLY  84  12.870  11.154  -0.814
  602    HA3  GLY  84           1HA      GLY  84  13.549  11.786   0.678
  Start of MODEL   14
    1    H1   GLY   1           1HT      GLY   1 -10.705  23.069 -25.059
    2    H2   GLY   1           2HT      GLY   1 -11.274  24.662 -25.088
    3    H3   GLY   1           3HT      GLY   1 -12.369  23.373 -25.125
    4    HA2  GLY   1           1HA      GLY   1 -12.013  24.614 -22.919
    5    HA3  GLY   1           2HA      GLY   1 -12.100  22.859 -22.915
    6    HA   PRO   2           HA       PRO   2  -8.028  24.698 -21.076
    7    HB2  PRO   2           2HB      PRO   2  -8.591  23.958 -18.477
    8    HB3  PRO   2           1HB      PRO   2  -8.826  25.582 -19.130
    9    HG2  PRO   2           2HG      PRO   2 -10.819  23.383 -18.755
   10    HG3  PRO   2           1HG      PRO   2 -10.998  25.122 -18.454
   11    HD2  PRO   2           2HD      PRO   2 -12.019  23.980 -20.650
   12    HD3  PRO   2           1HD      PRO   2 -11.304  25.605 -20.705
   13    H    LEU   3           H        LEU   3  -6.325  23.353 -20.899
   14    HA   LEU   3           HA       LEU   3  -6.852  20.489 -20.942
   15    HB2  LEU   3           2HB      LEU   3  -4.235  21.957 -21.278
   16    HB3  LEU   3           1HB      LEU   3  -4.523  20.257 -21.600
   17    HG   LEU   3           HG       LEU   3  -5.569  22.620 -23.149
   18   HD11  LEU   3          1HD1      LEU   3  -4.131  20.284 -24.306
   19   HD12  LEU   3          2HD1      LEU   3  -3.209  21.516 -23.447
   20   HD13  LEU   3          3HD1      LEU   3  -4.183  21.961 -24.849
   21   HD21  LEU   3          1HD2      LEU   3  -6.675  20.913 -24.592
   22   HD22  LEU   3          2HD2      LEU   3  -7.397  21.086 -22.992
   23   HD23  LEU   3          3HD2      LEU   3  -6.343  19.715 -23.341
   24    H    GLY   4           H        GLY   4  -6.227  19.063 -19.382
   25    HA2  GLY   4           2HA      GLY   4  -4.584  20.009 -17.159
   26    HA3  GLY   4           1HA      GLY   4  -6.227  19.521 -16.777
   27    H    SER   5           H        SER   5  -4.622  18.118 -15.400
   28    HA   SER   5           HA       SER   5  -4.481  15.529 -16.763
   29    HB2  SER   5           2HB      SER   5  -2.283  15.047 -15.856
   30    HB3  SER   5           1HB      SER   5  -2.205  16.550 -16.776
   31    HG   SER   5           HG       SER   5  -1.149  16.814 -14.808
   32    H    MET   6           H        MET   6  -4.417  13.697 -15.287
   33    HA   MET   6           HA       MET   6  -6.309  13.878 -13.237
   34    HB2  MET   6           2HB      MET   6  -4.201  11.769 -13.730
   35    HB3  MET   6           1HB      MET   6  -5.550  11.590 -12.616
   36    HG2  MET   6           2HG      MET   6  -5.741  11.972 -15.595
   37    HG3  MET   6           1HG      MET   6  -6.007  10.470 -14.712
   38    HE1  MET   6           1HE      MET   6  -8.551  11.801 -12.197
   39    HE2  MET   6           2HE      MET   6  -7.341  10.581 -12.596
   40    HE3  MET   6           3HE      MET   6  -9.008  10.383 -13.141
   41    H    GLY   7           H        GLY   7  -2.800  14.054 -13.169
   42    HA2  GLY   7           2HA      GLY   7  -1.484  15.084 -11.547
   43    HA3  GLY   7           1HA      GLY   7  -2.909  15.250 -10.533
   44    H    GLU   8           H        GLU   8  -1.031  14.603  -9.005
   45    HA   GLU   8           HA       GLU   8  -0.589  11.724  -8.956
   46    HB2  GLU   8           2HB      GLU   8   0.502  13.935  -7.207
   47    HB3  GLU   8           1HB      GLU   8   0.920  12.235  -7.042
   48    HG2  GLU   8           2HG      GLU   8   1.437  13.945  -9.466
   49    HG3  GLU   8           1HG      GLU   8   2.631  13.475  -8.256
   50    H    LYS   9           H        LYS   9  -3.130  13.446  -8.116
   51    HA   LYS   9           HA       LYS   9  -3.561  12.746  -5.394
   52    HB2  LYS   9           2HB      LYS   9  -5.535  13.398  -7.593
   53    HB3  LYS   9           1HB      LYS   9  -5.962  13.216  -5.897
   54    HG2  LYS   9           2HG      LYS   9  -4.414  15.087  -5.368
   55    HG3  LYS   9           1HG      LYS   9  -4.170  15.313  -7.101
   56    HD2  LYS   9           2HD      LYS   9  -6.616  15.656  -7.349
   57    HD3  LYS   9           1HD      LYS   9  -6.774  15.551  -5.594
   58    HE2  LYS   9           2HE      LYS   9  -5.173  17.465  -5.421
   59    HE3  LYS   9           1HE      LYS   9  -5.258  17.622  -7.175
   60    HZ1  LYS   9           1HZ      LYS   9  -6.790  19.150  -6.267
   61    HZ2  LYS   9           2HZ      LYS   9  -7.451  18.000  -5.218
   62    HZ3  LYS   9           3HZ      LYS   9  -7.718  17.876  -6.884
   63    H    GLN  10           H        GLN  10  -3.307  10.928  -8.150
   64    HA   GLN  10           HA       GLN  10  -5.284   8.960  -7.867
   65    HB2  GLN  10           2HB      GLN  10  -4.029   9.189  -9.912
   66    HB3  GLN  10           1HB      GLN  10  -2.512   8.887  -9.075
   67    HG2  GLN  10           2HG      GLN  10  -3.283   6.593  -8.585
   68    HG3  GLN  10           1HG      GLN  10  -4.750   6.916  -9.509
   69   HE21  GLN  10          1HE2      GLN  10  -3.174   4.832 -10.215
   70   HE22  GLN  10          2HE2      GLN  10  -2.367   5.166 -11.705
   71    H    SER  11           H        SER  11  -5.319   7.017  -6.784
   72    HA   SER  11           HA       SER  11  -3.924   6.838  -4.345
   73    HB2  SER  11           2HB      SER  11  -5.407   4.668  -5.852
   74    HB3  SER  11           1HB      SER  11  -4.931   4.595  -4.156
   75    HG   SER  11           HG       SER  11  -6.683   5.642  -3.718
   76    H    LYS  12           H        LYS  12  -2.358   5.298  -3.656
   77    HA   LYS  12           HA       LYS  12  -0.560   4.452  -5.824
   78    HB2  LYS  12           2HB      LYS  12   0.006   5.028  -2.912
   79    HB3  LYS  12           1HB      LYS  12   1.196   4.406  -4.047
   80    HG2  LYS  12           2HG      LYS  12   0.892   6.438  -5.420
   81    HG3  LYS  12           1HG      LYS  12  -0.204   7.066  -4.189
   82    HD2  LYS  12           2HD      LYS  12   1.629   6.893  -2.532
   83    HD3  LYS  12           1HD      LYS  12   2.713   6.381  -3.828
   84    HE2  LYS  12           2HE      LYS  12   2.230   8.517  -4.999
   85    HE3  LYS  12           1HE      LYS  12   1.277   9.024  -3.607
   86    HZ1  LYS  12           1HZ      LYS  12   3.177   9.090  -2.254
   87    HZ2  LYS  12           2HZ      LYS  12   3.649   9.829  -3.701
   88    HZ3  LYS  12           3HZ      LYS  12   4.121   8.239  -3.371
   89    H    GLY  13           H        GLY  13   0.308   2.371  -5.849
   90    HA2  GLY  13           2HA      GLY  13   0.649   0.250  -4.648
   91    HA3  GLY  13           1HA      GLY  13  -0.963   0.463  -3.984
   92    H    TYR  14           H        TYR  14   0.751   0.085  -7.073
   93    HA   TYR  14           HA       TYR  14  -1.637  -0.799  -8.418
   94    HB2  TYR  14           2HB      TYR  14   0.119   0.407  -9.637
   95    HB3  TYR  14           1HB      TYR  14   1.243  -0.913  -9.328
   96    HD1  TYR  14           1HD      TYR  14  -1.811   0.061 -11.159
   97    HD2  TYR  14           2HD      TYR  14   1.186  -2.913 -10.629
   98    HE1  TYR  14           1HE      TYR  14  -2.571  -1.064 -13.210
   99    HE2  TYR  14           2HE      TYR  14   0.435  -4.044 -12.680
  100    HH   TYR  14           HH       TYR  14  -0.773  -3.560 -14.713
  101    H    TRP  15           H        TRP  15  -2.424  -2.785  -8.381
  102    HA   TRP  15           HA       TRP  15  -0.808  -4.964  -7.292
  103    HB2  TRP  15           2HB      TRP  15  -2.946  -6.226  -7.272
  104    HB3  TRP  15           1HB      TRP  15  -3.032  -4.723  -6.358
  105    HD1  TRP  15           HD       TRP  15  -4.491  -6.463  -9.399
  106    HE1  TRP  15           1HE      TRP  15  -6.451  -5.063 -10.307
  107    HE3  TRP  15           3HE      TRP  15  -3.871  -2.259  -6.558
  108    HZ2  TRP  15           2HZ      TRP  15  -7.584  -2.512  -9.877
  109    HZ3  TRP  15           3HZ      TRP  15  -5.435  -0.383  -6.868
  110    HH2  TRP  15           HH       TRP  15  -7.252  -0.510  -8.493
  111    H    GLN  16           H        GLN  16   0.309  -6.217  -8.624
  112    HA   GLN  16           HA       GLN  16  -0.335  -6.327 -11.454
  113    HB2  GLN  16           2HB      GLN  16   2.025  -6.153 -10.683
  114    HB3  GLN  16           1HB      GLN  16   1.864  -7.723  -9.909
  115    HG2  GLN  16           2HG      GLN  16   1.458  -8.756 -12.082
  116    HG3  GLN  16           1HG      GLN  16   1.619  -7.182 -12.860
  117   HE21  GLN  16          1HE2      GLN  16   3.200  -9.219 -13.678
  118   HE22  GLN  16          2HE2      GLN  16   4.832  -8.954 -13.180
  119    H    GLU  17           H        GLU  17  -1.299  -7.896 -12.489
  120    HA   GLU  17           HA       GLU  17  -2.915  -9.724 -11.192
  121    HB2  GLU  17           2HB      GLU  17  -1.922  -9.755 -14.040
  122    HB3  GLU  17           1HB      GLU  17  -3.248 -10.739 -13.435
  123    HG2  GLU  17           2HG      GLU  17  -4.467  -8.684 -12.844
  124    HG3  GLU  17           1HG      GLU  17  -3.155  -7.732 -13.537
  125    H    ASP  18           H        ASP  18  -2.927 -11.972 -11.085
  126    HA   ASP  18           HA       ASP  18  -0.602 -13.264 -10.185
  127    HB2  ASP  18           2HB      ASP  18  -3.185 -14.382 -11.274
  128    HB3  ASP  18           1HB      ASP  18  -1.947 -15.342 -10.468
  129    H    GLU  19           H        GLU  19  -2.194 -13.311 -13.343
  130    HA   GLU  19           HA       GLU  19  -0.518 -15.246 -14.515
  131    HB2  GLU  19           2HB      GLU  19  -2.222 -13.085 -15.747
  132    HB3  GLU  19           1HB      GLU  19  -1.428 -14.351 -16.670
  133    HG2  GLU  19           2HG      GLU  19  -2.699 -16.039 -15.415
  134    HG3  GLU  19           1HG      GLU  19  -3.521 -14.745 -14.542
  135    H    ASP  20           H        ASP  20  -0.360 -11.710 -14.503
  136    HA   ASP  20           HA       ASP  20   1.726 -11.480 -16.357
  137    HB2  ASP  20           2HB      ASP  20   0.916  -9.644 -14.093
  138    HB3  ASP  20           1HB      ASP  20   2.104  -9.219 -15.322
  139    H    ALA  21           H        ALA  21   1.744 -11.991 -12.898
  140    HA   ALA  21           HA       ALA  21   4.688 -12.209 -12.979
  141    HB1  ALA  21           1HB      ALA  21   4.318 -10.547 -11.434
  142    HB2  ALA  21           2HB      ALA  21   4.363 -11.972 -10.396
  143    HB3  ALA  21           3HB      ALA  21   2.814 -11.266 -10.860
  144    HA   PRO  22           HA       PRO  22   3.101 -16.541 -12.335
  145    HB2  PRO  22           2HB      PRO  22   5.446 -17.189 -13.979
  146    HB3  PRO  22           1HB      PRO  22   3.759 -17.643 -14.204
  147    HG2  PRO  22           2HG      PRO  22   4.974 -15.867 -15.810
  148    HG3  PRO  22           1HG      PRO  22   3.258 -15.729 -15.387
  149    HD2  PRO  22           2HD      PRO  22   5.608 -14.237 -14.283
  150    HD3  PRO  22           1HD      PRO  22   3.989 -13.645 -14.700
  151    H    ALA  23           H        ALA  23   5.959 -14.821 -11.709
  152    HA   ALA  23           HA       ALA  23   6.766 -16.837  -9.732
  153    HB1  ALA  23           1HB      ALA  23   8.474 -17.315 -11.150
  154    HB2  ALA  23           2HB      ALA  23   9.186 -15.909 -10.359
  155    HB3  ALA  23           3HB      ALA  23   8.412 -15.737 -11.934
  156    H    CYS  24           H        CYS  24   8.043 -15.940  -7.955
  157    HA   CYS  24           HA       CYS  24   6.946 -13.595  -6.931
  158    HB2  CYS  24           2HB      CYS  24   8.317 -15.631  -5.869
  159    HB3  CYS  24           1HB      CYS  24   9.610 -14.440  -5.939
  160    HG   CYS  24           HG       CYS  24   8.024 -14.480  -3.681
  161    H    ASN  25           H        ASN  25   7.352 -11.544  -7.261
  162    HA   ASN  25           HA       ASN  25   9.264 -10.589  -9.082
  163    HB2  ASN  25           2HB      ASN  25   7.550  -9.247  -7.000
  164    HB3  ASN  25           1HB      ASN  25   8.675  -8.327  -7.991
  165   HD21  ASN  25          1HD2      ASN  25   8.295  -8.127 -10.201
  166   HD22  ASN  25          2HD2      ASN  25   6.752  -8.471 -10.899
  167    H    GLY  26           H        GLY  26   9.420 -11.242  -5.674
  168    HA2  GLY  26           2HA      GLY  26  11.788  -9.625  -5.274
  169    HA3  GLY  26           1HA      GLY  26  10.975 -10.605  -4.072
  170    H    CYS  27           H        CYS  27  11.133 -13.138  -4.884
  171    HA   CYS  27           HA       CYS  27  14.035 -13.537  -5.074
  172    HB2  CYS  27           2HB      CYS  27  13.749 -15.599  -3.896
  173    HB3  CYS  27           1HB      CYS  27  12.848 -14.354  -3.037
  174    HG   CYS  27           HG       CYS  27  11.025 -15.991  -3.136
  175    H    GLY  28           H        GLY  28  11.433 -13.721  -7.112
  176    HA2  GLY  28           2HA      GLY  28  11.285 -14.598  -9.226
  177    HA3  GLY  28           1HA      GLY  28  12.931 -15.174  -9.039
  178    H    CYS  29           H        CYS  29  10.958 -16.321  -6.532
  179    HA   CYS  29           HA       CYS  29  11.160 -18.994  -7.518
  180    HB2  CYS  29           2HB      CYS  29  10.192 -19.702  -5.483
  181    HB3  CYS  29           1HB      CYS  29  11.162 -18.295  -5.067
  182    HG   CYS  29           HG       CYS  29   8.135 -17.848  -5.469
  183    H    VAL  30           H        VAL  30   9.586 -20.362  -8.280
  184    HA   VAL  30           HA       VAL  30   7.449 -19.070  -9.707
  185    HB   VAL  30           HB       VAL  30   7.528 -22.020  -9.589
  186   HG11  VAL  30          1HG1      VAL  30   6.106 -21.497 -11.236
  187   HG12  VAL  30          2HG1      VAL  30   7.570 -21.290 -12.199
  188   HG13  VAL  30          3HG1      VAL  30   6.797 -19.889 -11.458
  189   HG21  VAL  30          1HG2      VAL  30   9.815 -21.933  -9.701
  190   HG22  VAL  30          2HG2      VAL  30   9.826 -20.353 -10.482
  191   HG23  VAL  30          3HG2      VAL  30   9.413 -21.794 -11.412
  192    H    PHE  31           H        PHE  31   5.318 -19.124  -9.325
  193    HA   PHE  31           HA       PHE  31   4.427 -20.018  -6.723
  194    HB2  PHE  31           2HB      PHE  31   2.975 -18.620  -8.979
  195    HB3  PHE  31           1HB      PHE  31   2.235 -19.032  -7.435
  196    HD1  PHE  31           1HD      PHE  31   3.144 -18.000  -5.340
  197    HD2  PHE  31           2HD      PHE  31   4.269 -16.678  -9.225
  198    HE1  PHE  31           1HE      PHE  31   3.936 -15.877  -4.384
  199    HE2  PHE  31           2HE      PHE  31   5.062 -14.551  -8.276
  200    HZ   PHE  31           HZ       PHE  31   4.898 -14.149  -5.853
  201    H    THR  32           H        THR  32   3.225 -21.723  -6.287
  202    HA   THR  32           HA       THR  32   2.270 -23.391  -8.521
  203    HB   THR  32           HB       THR  32   2.924 -25.386  -7.349
  204    HG1  THR  32           1HG      THR  32   4.148 -25.080  -5.334
  205   HG21  THR  32          1HG2      THR  32   5.434 -24.103  -6.751
  206   HG22  THR  32          2HG2      THR  32   4.793 -23.583  -8.309
  207   HG23  THR  32          3HG2      THR  32   5.040 -25.299  -7.985
  208    H    THR  33           H        THR  33   0.616 -25.027  -7.766
  209    HA   THR  33           HA       THR  33  -1.669 -23.823  -6.842
  210    HB   THR  33           HB       THR  33  -0.945 -26.722  -6.402
  211    HG1  THR  33           1HG      THR  33  -2.430 -26.337  -8.564
  212   HG21  THR  33          1HG2      THR  33  -3.669 -25.811  -7.134
  213   HG22  THR  33          2HG2      THR  33  -3.144 -25.623  -5.462
  214   HG23  THR  33          3HG2      THR  33  -3.154 -27.221  -6.209
  215    H    THR  34           H        THR  34   0.746 -25.559  -4.882
  216    HA   THR  34           HA       THR  34  -0.706 -25.286  -2.474
  217    HB   THR  34           HB       THR  34   2.282 -25.636  -2.819
  218    HG1  THR  34           1HG      THR  34   0.155 -27.498  -2.714
  219   HG21  THR  34          1HG2      THR  34   1.511 -25.013  -0.518
  220   HG22  THR  34          2HG2      THR  34   2.347 -26.561  -0.646
  221   HG23  THR  34          3HG2      THR  34   0.589 -26.517  -0.501
  222    H    VAL  35           H        VAL  35   1.696 -23.220  -4.059
  223    HA   VAL  35           HA       VAL  35   1.711 -21.401  -1.793
  224    HB   VAL  35           HB       VAL  35   3.053 -21.138  -4.482
  225   HG11  VAL  35          1HG1      VAL  35   2.518 -19.040  -3.061
  226   HG12  VAL  35          2HG1      VAL  35   4.147 -19.249  -3.701
  227   HG13  VAL  35          3HG1      VAL  35   3.808 -19.626  -2.013
  228   HG21  VAL  35          1HG2      VAL  35   4.562 -22.580  -3.729
  229   HG22  VAL  35          2HG2      VAL  35   3.709 -22.721  -2.191
  230   HG23  VAL  35          3HG2      VAL  35   4.927 -21.464  -2.411
  231    H    ARG  36           H        ARG  36   0.134 -20.054  -1.544
  232    HA   ARG  36           HA       ARG  36  -1.598 -19.210  -3.679
  233    HB2  ARG  36           2HB      ARG  36  -1.418 -18.331  -0.792
  234    HB3  ARG  36           1HB      ARG  36  -2.678 -17.836  -1.915
  235    HG2  ARG  36           2HG      ARG  36  -2.124 -20.687  -1.125
  236    HG3  ARG  36           1HG      ARG  36  -3.360 -19.662  -0.394
  237    HD2  ARG  36           2HD      ARG  36  -4.388 -19.387  -2.632
  238    HD3  ARG  36           1HD      ARG  36  -3.200 -20.514  -3.283
  239    HE   ARG  36           HE       ARG  36  -4.472 -22.222  -2.472
  240   HH11  ARG  36          1HH1      ARG  36  -5.271 -19.321  -0.722
  241   HH12  ARG  36          2HH1      ARG  36  -6.556 -20.059   0.174
  242   HH21  ARG  36          1HH2      ARG  36  -6.163 -23.207  -1.296
  243   HH22  ARG  36          2HH2      ARG  36  -7.063 -22.269  -0.152
  244    H    ARG  37           H        ARG  37  -1.905 -17.087  -4.421
  245    HA   ARG  37           HA       ARG  37   0.568 -15.558  -4.496
  246    HB2  ARG  37           2HB      ARG  37  -1.982 -15.488  -6.077
  247    HB3  ARG  37           1HB      ARG  37  -0.857 -14.137  -6.141
  248    HG2  ARG  37           2HG      ARG  37   0.879 -15.529  -6.995
  249    HG3  ARG  37           1HG      ARG  37  -0.085 -16.979  -6.741
  250    HD2  ARG  37           2HD      ARG  37  -1.775 -15.903  -8.337
  251    HD3  ARG  37           1HD      ARG  37  -0.467 -14.799  -8.767
  252    HE   ARG  37           HE       ARG  37  -0.738 -17.544  -9.542
  253   HH11  ARG  37          1HH1      ARG  37   1.525 -14.968  -8.950
  254   HH12  ARG  37          2HH1      ARG  37   2.772 -15.661  -9.932
  255   HH21  ARG  37          1HH2      ARG  37   0.898 -18.479 -10.821
  256   HH22  ARG  37          2HH2      ARG  37   2.417 -17.667 -10.991
  257    H    HIS  38           H        HIS  38   0.833 -13.510  -3.758
  258    HA   HIS  38           HA       HIS  38  -1.404 -12.225  -2.380
  259    HB2  HIS  38           2HB      HIS  38   1.305 -12.711  -1.120
  260    HB3  HIS  38           1HB      HIS  38  -0.012 -11.788  -0.403
  261    HD1  HIS  38           1HD      HIS  38  -2.258 -13.254   0.065
  262    HD2  HIS  38           2HD      HIS  38   1.275 -15.361  -0.514
  263    HE1  HIS  38           1HE      HIS  38  -2.688 -15.553   0.988
  264    HE2  HIS  38           2HE      HIS  38  -0.506 -16.781   0.712
  265    H    HIS  39           H        HIS  39  -0.818  -9.951  -1.723
  266    HA   HIS  39           HA       HIS  39   1.084  -8.801  -3.663
  267    HB2  HIS  39           2HB      HIS  39  -1.601  -7.708  -2.806
  268    HB3  HIS  39           1HB      HIS  39  -0.442  -6.839  -3.805
  269    HD1  HIS  39           1HD      HIS  39  -3.068  -9.434  -3.935
  270    HD2  HIS  39           2HD      HIS  39  -0.132  -7.898  -6.442
  271    HE1  HIS  39           1HE      HIS  39  -3.653 -10.256  -6.238
  272    HE2  HIS  39           2HE      HIS  39  -1.827  -9.366  -7.730
  273    H    CYS  40           H        CYS  40   2.323  -7.058  -3.023
  274    HA   CYS  40           HA       CYS  40   2.553  -6.640  -0.140
  275    HB2  CYS  40           2HB      CYS  40   4.633  -7.102  -1.277
  276    HB3  CYS  40           1HB      CYS  40   4.289  -5.892  -2.508
  277    HG   CYS  40           HG       CYS  40   5.297  -4.177  -1.086
  278    H    ARG  41           H        ARG  41   2.060  -4.717   0.816
  279    HA   ARG  41           HA       ARG  41   0.267  -2.996  -0.543
  280    HB2  ARG  41           2HB      ARG  41   1.564  -2.734   2.169
  281    HB3  ARG  41           1HB      ARG  41   0.248  -1.723   1.589
  282    HG2  ARG  41           2HG      ARG  41   0.088  -4.714   1.884
  283    HG3  ARG  41           1HG      ARG  41  -0.473  -3.554   3.091
  284    HD2  ARG  41           2HD      ARG  41  -1.985  -2.586   1.378
  285    HD3  ARG  41           1HD      ARG  41  -1.482  -3.857   0.266
  286    HE   ARG  41           HE       ARG  41  -2.344  -5.248   2.408
  287   HH11  ARG  41          1HH1      ARG  41  -3.748  -2.679   0.527
  288   HH12  ARG  41          2HH1      ARG  41  -5.378  -3.201   0.788
  289   HH21  ARG  41          1HH2      ARG  41  -4.488  -5.947   2.761
  290   HH22  ARG  41          2HH2      ARG  41  -5.799  -5.059   2.060
  291    H    ASN  42           H        ASN  42   3.585  -3.038  -0.601
  292    HA   ASN  42           HA       ASN  42   3.830  -0.134  -0.881
  293    HB2  ASN  42           2HB      ASN  42   5.880  -2.318  -0.512
  294    HB3  ASN  42           1HB      ASN  42   6.316  -0.663  -0.911
  295   HD21  ASN  42          1HD2      ASN  42   6.313  -2.666   1.536
  296   HD22  ASN  42          2HD2      ASN  42   5.938  -1.607   2.847
  297    H    CYS  43           H        CYS  43   5.448  -2.860  -2.508
  298    HA   CYS  43           HA       CYS  43   5.655  -1.347  -4.919
  299    HB2  CYS  43           2HB      CYS  43   6.741  -3.327  -5.850
  300    HB3  CYS  43           1HB      CYS  43   7.397  -2.939  -4.265
  301    HG   CYS  43           HG       CYS  43   5.798  -4.945  -3.376
  302    H    GLY  44           H        GLY  44   3.397  -3.661  -3.669
  303    HA2  GLY  44           2HA      GLY  44   1.319  -4.247  -4.473
  304    HA3  GLY  44           1HA      GLY  44   1.579  -3.143  -5.814
  305    H    TYR  45           H        TYR  45   3.920  -5.599  -5.187
  306    HA   TYR  45           HA       TYR  45   3.123  -6.956  -7.663
  307    HB2  TYR  45           2HB      TYR  45   5.726  -7.120  -6.130
  308    HB3  TYR  45           1HB      TYR  45   5.388  -7.898  -7.670
  309    HD1  TYR  45           2HD      TYR  45   4.027  -5.757  -9.153
  310    HD2  TYR  45           1HD      TYR  45   7.410  -5.575  -6.579
  311    HE1  TYR  45           2HE      TYR  45   4.818  -3.758 -10.344
  312    HE2  TYR  45           1HE      TYR  45   8.209  -3.575  -7.763
  313    HH   TYR  45           HH       TYR  45   6.450  -2.262 -10.553
  314    H    VAL  46           H        VAL  46   3.424  -9.307  -7.729
  315    HA   VAL  46           HA       VAL  46   2.045 -10.479  -5.500
  316    HB   VAL  46           HB       VAL  46   3.131 -11.844  -7.968
  317   HG11  VAL  46          1HG1      VAL  46   1.087 -12.871  -5.997
  318   HG12  VAL  46          2HG1      VAL  46   2.787 -13.339  -5.995
  319   HG13  VAL  46          3HG1      VAL  46   1.767 -13.733  -7.378
  320   HG21  VAL  46          1HG2      VAL  46   0.296 -11.028  -7.349
  321   HG22  VAL  46          2HG2      VAL  46   0.910 -11.714  -8.853
  322   HG23  VAL  46          3HG2      VAL  46   1.397 -10.092  -8.361
  323    H    LEU  47           H        LEU  47   2.860 -11.576  -3.838
  324    HA   LEU  47           HA       LEU  47   5.625 -12.567  -4.003
  325    HB2  LEU  47           2HB      LEU  47   4.373 -11.015  -1.733
  326    HB3  LEU  47           1HB      LEU  47   5.854 -11.929  -1.570
  327    HG   LEU  47           HG       LEU  47   6.183  -9.486  -1.833
  328   HD11  LEU  47          1HD1      LEU  47   8.093 -10.643  -2.335
  329   HD12  LEU  47          2HD1      LEU  47   7.817  -9.755  -3.831
  330   HD13  LEU  47          3HD1      LEU  47   7.368 -11.455  -3.721
  331   HD21  LEU  47          1HD2      LEU  47   4.275  -9.590  -3.738
  332   HD22  LEU  47          2HD2      LEU  47   5.738  -9.570  -4.726
  333   HD23  LEU  47          3HD2      LEU  47   5.440  -8.279  -3.559
  334    H    CYS  48           H        CYS  48   5.948 -14.549  -3.080
  335    HA   CYS  48           HA       CYS  48   3.623 -16.068  -2.331
  336    HB2  CYS  48           2HB      CYS  48   5.033 -17.967  -2.329
  337    HB3  CYS  48           1HB      CYS  48   5.680 -16.946  -3.610
  338    HG   CYS  48           HG       CYS  48   7.060 -17.485  -0.894
  339    H    GLY  49           H        GLY  49   3.947 -17.515  -0.209
  340    HA2  GLY  49           2HA      GLY  49   3.687 -15.847   1.972
  341    HA3  GLY  49           1HA      GLY  49   4.117 -17.547   2.083
  342    H    ASP  50           H        ASP  50   6.569 -17.737   1.100
  343    HA   ASP  50           HA       ASP  50   8.236 -16.871   3.144
  344    HB2  ASP  50           2HB      ASP  50   8.837 -17.805   0.344
  345    HB3  ASP  50           1HB      ASP  50  10.108 -17.415   1.498
  346    H    CYS  51           H        CYS  51   7.524 -15.314   0.096
  347    HA   CYS  51           HA       CYS  51   9.515 -13.258   0.579
  348    HB2  CYS  51           2HB      CYS  51   7.802 -14.044  -1.711
  349    HB3  CYS  51           1HB      CYS  51   8.256 -12.346  -1.604
  350    HG   CYS  51           HG       CYS  51  10.334 -14.651  -1.850
  351    H    SER  52           H        SER  52   6.481 -13.826   1.690
  352    HA   SER  52           HA       SER  52   6.014 -10.969   2.137
  353    HB2  SER  52           2HB      SER  52   3.650 -11.203   1.802
  354    HB3  SER  52           1HB      SER  52   4.440 -11.902   0.388
  355    HG   SER  52           HG       SER  52   2.678 -13.151   1.429
  356    H    ARG  53           H        ARG  53   7.276 -13.158   3.675
  357    HA   ARG  53           HA       ARG  53   5.426 -13.770   5.801
  358    HB2  ARG  53           2HB      ARG  53   8.366 -14.321   5.415
  359    HB3  ARG  53           1HB      ARG  53   7.543 -14.683   6.927
  360    HG2  ARG  53           2HG      ARG  53   5.955 -16.102   5.582
  361    HG3  ARG  53           1HG      ARG  53   7.051 -15.875   4.219
  362    HD2  ARG  53           2HD      ARG  53   8.885 -16.817   5.562
  363    HD3  ARG  53           1HD      ARG  53   7.748 -17.109   6.877
  364    HE   ARG  53           HE       ARG  53   6.895 -18.320   4.441
  365   HH11  ARG  53          1HH1      ARG  53   9.065 -18.689   7.142
  366   HH12  ARG  53          2HH1      ARG  53   9.116 -20.417   7.030
  367   HH21  ARG  53          1HH2      ARG  53   6.954 -20.594   4.288
  368   HH22  ARG  53          2HH2      ARG  53   7.918 -21.500   5.407
  369    H    HIS  54           H        HIS  54   7.562 -11.182   5.038
  370    HA   HIS  54           HA       HIS  54   8.017 -10.402   7.767
  371    HB2  HIS  54           2HB      HIS  54   8.550  -9.022   5.136
  372    HB3  HIS  54           1HB      HIS  54   8.931  -8.298   6.688
  373    HD1  HIS  54           1HD      HIS  54  10.792  -9.539   8.122
  374    HD2  HIS  54           2HD      HIS  54  10.400 -10.818   4.189
  375    HE1  HIS  54           1HE      HIS  54  12.893 -10.825   7.621
  376    HE2  HIS  54           2HE      HIS  54  12.677 -11.503   5.204
  377    H    ARG  55           H        ARG  55   7.441  -8.197   8.494
  378    HA   ARG  55           HA       ARG  55   4.940  -7.185   7.388
  379    HB2  ARG  55           2HB      ARG  55   5.288  -7.862  10.316
  380    HB3  ARG  55           1HB      ARG  55   3.884  -7.086   9.593
  381    HG2  ARG  55           2HG      ARG  55   3.544  -9.116   8.205
  382    HG3  ARG  55           1HG      ARG  55   4.851  -9.891   9.103
  383    HD2  ARG  55           2HD      ARG  55   3.559  -9.421  11.201
  384    HD3  ARG  55           1HD      ARG  55   2.221  -8.896  10.181
  385    HE   ARG  55           HE       ARG  55   3.223 -11.541   9.603
  386   HH11  ARG  55          1HH1      ARG  55   0.943  -9.638  11.428
  387   HH12  ARG  55          2HH1      ARG  55  -0.154 -10.956  11.672
  388   HH21  ARG  55          1HH2      ARG  55   1.785 -13.278   9.921
  389   HH22  ARG  55          2HH2      ARG  55   0.325 -13.025  10.817
  390    H    ALA  56           H        ALA  56   4.792  -5.028   7.454
  391    HA   ALA  56           HA       ALA  56   6.370  -3.444   9.302
  392    HB1  ALA  56           1HB      ALA  56   7.313  -3.983   6.610
  393    HB2  ALA  56           2HB      ALA  56   8.158  -3.271   7.985
  394    HB3  ALA  56           3HB      ALA  56   7.161  -2.257   6.942
  395    H    ALA  57           H        ALA  57   5.853  -1.184   9.282
  396    HA   ALA  57           HA       ALA  57   3.188  -0.665   8.219
  397    HB1  ALA  57           1HB      ALA  57   3.122   1.195   9.719
  398    HB2  ALA  57           2HB      ALA  57   4.859   1.099  10.009
  399    HB3  ALA  57           3HB      ALA  57   3.793  -0.168  10.613
  400    H    ILE  58           H        ILE  58   2.757   1.136   6.854
  401    HA   ILE  58           HA       ILE  58   5.138   2.296   5.571
  402    HB   ILE  58           HB       ILE  58   2.592   1.844   4.068
  403   HG12  ILE  58          2HG1      ILE  58   4.801  -0.205   4.358
  404   HG13  ILE  58          1HG1      ILE  58   3.227  -0.317   5.139
  405   HG21  ILE  58          1HG2      ILE  58   4.384   3.243   3.123
  406   HG22  ILE  58          2HG2      ILE  58   4.089   1.795   2.162
  407   HG23  ILE  58          3HG2      ILE  58   5.489   1.875   3.229
  408   HD11  ILE  58          1HD1      ILE  58   3.880  -1.413   2.738
  409   HD12  ILE  58          2HD1      ILE  58   3.083   0.083   2.253
  410   HD13  ILE  58          3HD1      ILE  58   2.241  -1.070   3.288
  411    HA   PRO  59           HA       PRO  59   2.524   5.702   7.258
  412    HB2  PRO  59           2HB      PRO  59   4.626   7.335   7.822
  413    HB3  PRO  59           1HB      PRO  59   4.024   6.097   8.928
  414    HG2  PRO  59           2HG      PRO  59   6.349   5.979   7.044
  415    HG3  PRO  59           1HG      PRO  59   6.239   5.416   8.723
  416    HD2  PRO  59           2HD      PRO  59   6.042   3.726   6.630
  417    HD3  PRO  59           1HD      PRO  59   5.126   3.476   8.131
  418    H    MET  60           H        MET  60   4.623   5.435   4.535
  419    HA   MET  60           HA       MET  60   4.135   8.167   3.659
  420    HB2  MET  60           2HB      MET  60   5.532   5.815   2.369
  421    HB3  MET  60           1HB      MET  60   5.359   7.391   1.610
  422    HG2  MET  60           2HG      MET  60   6.609   8.386   3.495
  423    HG3  MET  60           1HG      MET  60   6.859   6.763   4.140
  424    HE1  MET  60           1HE      MET  60   9.074   8.213   4.119
  425    HE2  MET  60           2HE      MET  60  10.258   8.111   2.815
  426    HE3  MET  60           3HE      MET  60   9.880   6.682   3.777
  427    H    ARG  61           H        ARG  61   3.153   4.885   3.029
  428    HA   ARG  61           HA       ARG  61   1.374   5.603   0.856
  429    HB2  ARG  61           2HB      ARG  61   1.618   2.967   2.307
  430    HB3  ARG  61           1HB      ARG  61   0.881   3.248   0.735
  431    HG2  ARG  61           2HG      ARG  61   3.794   3.670   1.362
  432    HG3  ARG  61           1HG      ARG  61   3.122   2.229   0.596
  433    HD2  ARG  61           2HD      ARG  61   2.660   4.960  -0.547
  434    HD3  ARG  61           1HD      ARG  61   4.139   4.067  -0.894
  435    HE   ARG  61           HE       ARG  61   1.456   3.441  -1.821
  436   HH11  ARG  61          1HH1      ARG  61   4.784   2.449  -1.527
  437   HH12  ARG  61          2HH1      ARG  61   4.674   1.258  -2.778
  438   HH21  ARG  61          1HH2      ARG  61   1.301   1.869  -3.467
  439   HH22  ARG  61          2HH2      ARG  61   2.695   0.927  -3.879
  440    H    GLY  62           H        GLY  62   1.205   6.069   4.040
  441    HA2  GLY  62           2HA      GLY  62  -0.686   6.920   5.170
  442    HA3  GLY  62           1HA      GLY  62  -1.717   6.096   4.010
  443    H    ILE  63           H        ILE  63   0.700   4.027   5.086
  444    HA   ILE  63           HA       ILE  63  -1.203   2.669   6.840
  445    HB   ILE  63           HB       ILE  63   1.384   1.715   5.593
  446   HG12  ILE  63          2HG1      ILE  63  -1.454   0.916   4.934
  447   HG13  ILE  63          1HG1      ILE  63  -0.562   2.149   4.051
  448   HG21  ILE  63          1HG2      ILE  63   1.054   0.518   7.630
  449   HG22  ILE  63          2HG2      ILE  63   0.603  -0.544   6.295
  450   HG23  ILE  63          3HG2      ILE  63  -0.648   0.245   7.259
  451   HD11  ILE  63          1HD1      ILE  63   0.706  -0.509   4.349
  452   HD12  ILE  63          2HD1      ILE  63   0.762   0.636   3.006
  453   HD13  ILE  63          3HD1      ILE  63  -0.669  -0.365   3.254
  454    H    THR  64           H        THR  64  -1.028   3.530   8.848
  455    HA   THR  64           HA       THR  64   1.575   4.182   9.954
  456    HB   THR  64           HB       THR  64   0.268   4.973  11.917
  457    HG1  THR  64           1HG      THR  64  -2.042   4.487  10.380
  458   HG21  THR  64          1HG2      THR  64   0.691   6.385   9.822
  459   HG22  THR  64          2HG2      THR  64  -0.548   6.919  10.959
  460   HG23  THR  64          3HG2      THR  64  -1.014   6.104   9.466
  461    H    GLU  65           H        GLU  65  -0.595   1.533   9.988
  462    HA   GLU  65           HA       GLU  65   0.693   0.405  12.375
  463    HB2  GLU  65           2HB      GLU  65  -1.602  -0.853  10.889
  464    HB3  GLU  65           1HB      GLU  65  -1.121  -1.085  12.563
  465    HG2  GLU  65           2HG      GLU  65  -2.696   0.364  13.121
  466    HG3  GLU  65           1HG      GLU  65  -1.709   1.620  12.376
  467    HA   PRO  66           HA       PRO  66   3.285  -2.104   9.892
  468    HB2  PRO  66           2HB      PRO  66   2.768  -4.348  11.765
  469    HB3  PRO  66           1HB      PRO  66   4.300  -3.588  11.325
  470    HG2  PRO  66           2HG      PRO  66   3.161  -3.167  13.719
  471    HG3  PRO  66           1HG      PRO  66   4.062  -1.894  12.877
  472    HD2  PRO  66           2HD      PRO  66   1.112  -2.256  13.167
  473    HD3  PRO  66           1HD      PRO  66   2.070  -0.761  13.146
  474    H    GLU  67           H        GLU  67   2.733  -2.958   8.031
  475    HA   GLU  67           HA       GLU  67   0.558  -4.934   7.940
  476    HB2  GLU  67           2HB      GLU  67   1.199  -2.790   5.905
  477    HB3  GLU  67           1HB      GLU  67  -0.021  -4.034   5.701
  478    HG2  GLU  67           2HG      GLU  67  -0.021  -1.882   7.800
  479    HG3  GLU  67           1HG      GLU  67  -1.024  -1.929   6.352
  480    H    ARG  68           H        ARG  68   0.660  -6.293   5.918
  481    HA   ARG  68           HA       ARG  68   3.212  -7.530   5.779
  482    HB2  ARG  68           2HB      ARG  68   2.155  -9.049   4.172
  483    HB3  ARG  68           1HB      ARG  68   1.180  -8.828   5.619
  484    HG2  ARG  68           2HG      ARG  68  -0.078  -7.052   4.266
  485    HG3  ARG  68           1HG      ARG  68   0.703  -7.771   2.856
  486    HD2  ARG  68           2HD      ARG  68  -1.396  -8.834   3.045
  487    HD3  ARG  68           1HD      ARG  68  -0.212  -9.992   3.649
  488    HE   ARG  68           HE       ARG  68  -1.234  -9.893   5.685
  489   HH11  ARG  68          1HH1      ARG  68  -2.120  -7.069   3.851
  490   HH12  ARG  68          2HH1      ARG  68  -3.257  -6.501   5.028
  491   HH21  ARG  68          1HH2      ARG  68  -2.724  -9.154   7.245
  492   HH22  ARG  68          2HH2      ARG  68  -3.602  -7.688   6.960
  493    H    VAL  69           H        VAL  69   4.749  -7.496   4.316
  494    HA   VAL  69           HA       VAL  69   4.422  -6.124   1.755
  495    HB   VAL  69           HB       VAL  69   6.496  -4.849   2.046
  496   HG11  VAL  69          1HG1      VAL  69   4.580  -3.563   2.349
  497   HG12  VAL  69          2HG1      VAL  69   5.555  -3.211   3.777
  498   HG13  VAL  69          3HG1      VAL  69   4.196  -4.328   3.893
  499   HG21  VAL  69          1HG2      VAL  69   7.730  -5.999   3.666
  500   HG22  VAL  69          2HG2      VAL  69   6.386  -6.019   4.809
  501   HG23  VAL  69          3HG2      VAL  69   7.242  -4.512   4.481
  502    H    CYS  70           H        CYS  70   6.740  -6.266   0.640
  503    HA   CYS  70           HA       CYS  70   7.494  -9.080   0.807
  504    HB2  CYS  70           2HB      CYS  70   8.171  -8.977  -1.393
  505    HB3  CYS  70           1HB      CYS  70   6.890  -7.776  -1.393
  506    HG   CYS  70           HG       CYS  70   8.713  -6.518  -2.525
  507    H    ASP  71           H        ASP  71  10.089  -8.911  -0.240
  508    HA   ASP  71           HA       ASP  71  11.467  -8.124   2.174
  509    HB2  ASP  71           2HB      ASP  71  12.501  -9.356  -0.390
  510    HB3  ASP  71           1HB      ASP  71  13.488  -9.057   1.036
  511    H    ALA  72           H        ALA  72  11.534  -7.005  -1.206
  512    HA   ALA  72           HA       ALA  72  13.590  -5.105  -0.775
  513    HB1  ALA  72           1HB      ALA  72  12.499  -4.054  -2.900
  514    HB2  ALA  72           2HB      ALA  72  11.563  -5.549  -2.919
  515    HB3  ALA  72           3HB      ALA  72  13.324  -5.609  -3.002
  516    H    CYS  73           H        CYS  73  10.057  -4.798  -0.780
  517    HA   CYS  73           HA       CYS  73   9.974  -2.017  -0.341
  518    HB2  CYS  73           2HB      CYS  73   7.918  -4.053   0.543
  519    HB3  CYS  73           1HB      CYS  73   7.653  -2.339   0.235
  520    HG   CYS  73           HG       CYS  73   8.442  -4.203  -2.116
  521    H    TYR  74           H        TYR  74  10.014  -4.791   1.856
  522    HA   TYR  74           HA       TYR  74   9.611  -3.421   4.256
  523    HB2  TYR  74           2HB      TYR  74   9.628  -5.885   4.082
  524    HB3  TYR  74           1HB      TYR  74  11.357  -5.848   3.756
  525    HD1  TYR  74           2HD      TYR  74   8.778  -5.265   6.334
  526    HD2  TYR  74           1HD      TYR  74  12.941  -5.625   5.526
  527    HE1  TYR  74           2HE      TYR  74   9.230  -5.404   8.747
  528    HE2  TYR  74           1HE      TYR  74  13.402  -5.768   7.938
  529    HH   TYR  74           HH       TYR  74  12.329  -5.094  10.064
  530    H    LEU  75           H        LEU  75  12.519  -3.987   2.358
  531    HA   LEU  75           HA       LEU  75  14.314  -2.761   4.203
  532    HB2  LEU  75           2HB      LEU  75  14.455  -3.751   1.406
  533    HB3  LEU  75           1HB      LEU  75  15.695  -2.637   1.938
  534    HG   LEU  75           HG       LEU  75  15.055  -5.158   3.455
  535   HD11  LEU  75          1HD1      LEU  75  15.639  -5.911   1.271
  536   HD12  LEU  75          2HD1      LEU  75  17.055  -6.117   2.303
  537   HD13  LEU  75          3HD1      LEU  75  16.977  -4.766   1.171
  538   HD21  LEU  75          1HD2      LEU  75  16.590  -4.408   4.868
  539   HD22  LEU  75          2HD2      LEU  75  16.750  -2.936   3.910
  540   HD23  LEU  75          3HD2      LEU  75  17.773  -4.329   3.562
  541    H    ALA  76           H        ALA  76  12.946  -1.628   1.104
  542    HA   ALA  76           HA       ALA  76  14.171   0.823   0.990
  543    HB1  ALA  76           1HB      ALA  76  12.570   1.472  -0.581
  544    HB2  ALA  76           2HB      ALA  76  11.291   0.544   0.202
  545    HB3  ALA  76           3HB      ALA  76  12.565  -0.288  -0.691
  546    H    LEU  77           H        LEU  77  11.114   0.041   2.629
  547    HA   LEU  77           HA       LEU  77  10.739   2.663   3.664
  548    HB2  LEU  77           2HB      LEU  77   9.707  -0.006   4.640
  549    HB3  LEU  77           1HB      LEU  77   9.176   1.547   5.256
  550    HG   LEU  77           HG       LEU  77   8.895   0.779   2.357
  551   HD11  LEU  77          1HD1      LEU  77   7.669  -0.863   3.586
  552   HD12  LEU  77          2HD1      LEU  77   6.524   0.300   2.922
  553   HD13  LEU  77          3HD1      LEU  77   6.961   0.372   4.628
  554   HD21  LEU  77          1HD2      LEU  77   8.750   3.147   2.746
  555   HD22  LEU  77          2HD2      LEU  77   7.628   2.904   4.083
  556   HD23  LEU  77          3HD2      LEU  77   7.128   2.530   2.434
  557    H    ARG  78           H        ARG  78  12.192  -0.298   4.830
  558    HA   ARG  78           HA       ARG  78  12.875   0.376   7.418
  559    HB2  ARG  78           2HB      ARG  78  13.086  -1.871   6.517
  560    HB3  ARG  78           1HB      ARG  78  14.344  -1.343   5.413
  561    HG2  ARG  78           2HG      ARG  78  15.711  -0.755   7.447
  562    HG3  ARG  78           1HG      ARG  78  14.486  -1.601   8.393
  563    HD2  ARG  78           2HD      ARG  78  14.870  -3.617   7.003
  564    HD3  ARG  78           1HD      ARG  78  16.182  -2.763   6.194
  565    HE   ARG  78           HE       ARG  78  16.783  -2.619   8.862
  566   HH11  ARG  78          1HH1      ARG  78  16.174  -5.178   6.580
  567   HH12  ARG  78          2HH1      ARG  78  17.197  -6.318   7.388
  568   HH21  ARG  78          1HH2      ARG  78  18.135  -4.116   9.934
  569   HH22  ARG  78          2HH2      ARG  78  18.311  -5.715   9.292
  570    H    SER  79           H        SER  79  14.182   1.588   4.449
  571    HA   SER  79           HA       SER  79  16.536   2.633   5.857
  572    HB2  SER  79           2HB      SER  79  17.485   3.083   3.676
  573    HB3  SER  79           1HB      SER  79  16.881   1.426   3.690
  574    HG   SER  79           HG       SER  79  14.862   2.634   2.835
  575    H    SER  80           H        SER  80  16.910   4.812   6.045
  576    HA   SER  80           HA       SER  80  14.584   6.521   5.704
  577    HB2  SER  80           2HB      SER  80  15.687   8.066   7.156
  578    HB3  SER  80           1HB      SER  80  15.955   6.458   7.828
  579    HG   SER  80           HG       SER  80  17.754   8.223   6.655
  580    H    ASN  81           H        ASN  81  17.206   5.703   3.838
  581    HA   ASN  81           HA       ASN  81  18.151   8.113   2.825
  582    HB2  ASN  81           2HB      ASN  81  17.779   5.487   1.368
  583    HB3  ASN  81           1HB      ASN  81  18.770   6.827   0.803
  584   HD21  ASN  81          1HD2      ASN  81  19.895   7.583   3.258
  585   HD22  ASN  81          2HD2      ASN  81  20.970   6.333   3.769
  586    H    MET  82           H        MET  82  15.205   6.359   2.104
  587    HA   MET  82           HA       MET  82  14.478   7.660  -0.261
  588    HB2  MET  82           2HB      MET  82  12.744   6.497   1.922
  589    HB3  MET  82           1HB      MET  82  12.143   7.013   0.351
  590    HG2  MET  82           2HG      MET  82  14.097   4.797   0.909
  591    HG3  MET  82           1HG      MET  82  12.436   4.639   0.337
  592    HE1  MET  82           1HE      MET  82  12.506   7.156  -2.030
  593    HE2  MET  82           2HE      MET  82  11.584   5.672  -1.794
  594    HE3  MET  82           3HE      MET  82  12.535   5.896  -3.263
  595    H    ALA  83           H        ALA  83  14.131   8.621   3.098
  596    HA   ALA  83           HA       ALA  83  12.310  10.724   2.761
  597    HB1  ALA  83           1HB      ALA  83  12.872   9.846   4.952
  598    HB2  ALA  83           2HB      ALA  83  13.185  11.581   4.892
  599    HB3  ALA  83           3HB      ALA  83  14.525  10.439   4.788
  600    H    GLY  84           H        GLY  84  12.536  12.894   2.331
  601    HA2  GLY  84           2HA      GLY  84  13.433  14.753   1.324
  602    HA3  GLY  84           1HA      GLY  84  14.899  14.354   2.206
  Start of MODEL   15
    1    H1   GLY   1           1HT      GLY   1 -11.229  16.317  -4.622
    2    H2   GLY   1           2HT      GLY   1 -11.244  15.465  -6.083
    3    H3   GLY   1           3HT      GLY   1 -10.604  17.029  -6.024
    4    HA2  GLY   1           1HA      GLY   1  -9.360  14.521  -5.420
    5    HA3  GLY   1           2HA      GLY   1  -8.623  16.070  -5.799
    6    HA   PRO   2           HA       PRO   2  -7.784  14.898  -1.316
    7    HB2  PRO   2           2HB      PRO   2  -5.166  15.775  -1.486
    8    HB3  PRO   2           1HB      PRO   2  -5.685  14.100  -1.700
    9    HG2  PRO   2           2HG      PRO   2  -5.067  16.174  -3.761
   10    HG3  PRO   2           1HG      PRO   2  -4.682  14.443  -3.760
   11    HD2  PRO   2           2HD      PRO   2  -6.710  15.429  -5.213
   12    HD3  PRO   2           1HD      PRO   2  -6.822  13.841  -4.426
   13    H    LEU   3           H        LEU   3  -7.779  16.336   0.364
   14    HA   LEU   3           HA       LEU   3  -8.510  19.000  -0.109
   15    HB2  LEU   3           2HB      LEU   3  -7.358  17.814   2.418
   16    HB3  LEU   3           1HB      LEU   3  -8.246  19.322   2.303
   17    HG   LEU   3           HG       LEU   3  -9.310  16.527   1.937
   18   HD11  LEU   3          1HD1      LEU   3  -9.813  16.754   4.084
   19   HD12  LEU   3          2HD1      LEU   3 -10.903  18.067   3.641
   20   HD13  LEU   3          3HD1      LEU   3  -9.237  18.421   4.094
   21   HD21  LEU   3          1HD2      LEU   3 -11.486  18.137   1.750
   22   HD22  LEU   3          2HD2      LEU   3 -10.652  17.417   0.374
   23   HD23  LEU   3          3HD2      LEU   3 -10.289  19.073   0.857
   24    H    GLY   4           H        GLY   4  -5.405  17.504   0.507
   25    HA2  GLY   4           2HA      GLY   4  -3.977  19.691  -0.605
   26    HA3  GLY   4           1HA      GLY   4  -3.853  19.708   1.149
   27    H    SER   5           H        SER   5  -1.512  19.477   0.306
   28    HA   SER   5           HA       SER   5  -0.592  17.033  -0.719
   29    HB2  SER   5           2HB      SER   5   1.612  17.753  -0.052
   30    HB3  SER   5           1HB      SER   5   0.723  19.170  -0.610
   31    HG   SER   5           HG       SER   5   1.138  18.387   2.087
   32    H    MET   6           H        MET   6  -1.478  18.023   2.486
   33    HA   MET   6           HA       MET   6  -0.156  16.073   3.997
   34    HB2  MET   6           2HB      MET   6  -2.791  17.467   4.491
   35    HB3  MET   6           1HB      MET   6  -1.952  16.487   5.686
   36    HG2  MET   6           2HG      MET   6  -0.009  18.026   5.488
   37    HG3  MET   6           1HG      MET   6  -0.988  19.047   4.437
   38    HE1  MET   6           1HE      MET   6  -1.650  17.030   7.753
   39    HE2  MET   6           2HE      MET   6  -1.687  18.338   8.934
   40    HE3  MET   6           3HE      MET   6  -0.190  17.962   8.083
   41    H    GLY   7           H        GLY   7  -3.181  15.965   2.200
   42    HA2  GLY   7           2HA      GLY   7  -4.295  13.641   3.234
   43    HA3  GLY   7           1HA      GLY   7  -4.500  14.190   1.578
   44    H    GLU   8           H        GLU   8  -2.978  11.932   3.662
   45    HA   GLU   8           HA       GLU   8  -1.225  10.928   1.558
   46    HB2  GLU   8           2HB      GLU   8  -1.604  10.011   4.417
   47    HB3  GLU   8           1HB      GLU   8  -0.429   9.344   3.290
   48    HG2  GLU   8           2HG      GLU   8   0.627  11.566   3.128
   49    HG3  GLU   8           1HG      GLU   8  -0.507  12.163   4.338
   50    H    LYS   9           H        LYS   9  -4.335  10.713   1.807
   51    HA   LYS   9           HA       LYS   9  -4.840   7.900   1.904
   52    HB2  LYS   9           2HB      LYS   9  -6.482  10.180   0.774
   53    HB3  LYS   9           1HB      LYS   9  -7.055   8.526   0.935
   54    HG2  LYS   9           2HG      LYS   9  -6.731   8.677   3.372
   55    HG3  LYS   9           1HG      LYS   9  -6.242  10.362   3.179
   56    HD2  LYS   9           2HD      LYS   9  -8.446  10.843   2.161
   57    HD3  LYS   9           1HD      LYS   9  -8.925   9.173   2.472
   58    HE2  LYS   9           2HE      LYS   9  -9.779  10.113   4.352
   59    HE3  LYS   9           1HE      LYS   9  -8.137   9.836   4.931
   60    HZ1  LYS   9           1HZ      LYS   9  -7.634  12.153   4.180
   61    HZ2  LYS   9           2HZ      LYS   9  -8.710  12.047   5.480
   62    HZ3  LYS   9           3HZ      LYS   9  -9.292  12.375   3.926
   63    H    GLN  10           H        GLN  10  -3.140   9.696  -0.199
   64    HA   GLN  10           HA       GLN  10  -4.006   8.609  -2.710
   65    HB2  GLN  10           2HB      GLN  10  -3.065  10.806  -2.700
   66    HB3  GLN  10           1HB      GLN  10  -1.640  10.262  -1.820
   67    HG2  GLN  10           2HG      GLN  10  -1.058   8.871  -3.819
   68    HG3  GLN  10           1HG      GLN  10  -2.379   9.664  -4.675
   69   HE21  GLN  10          1HE2      GLN  10  -1.458  12.039  -2.767
   70   HE22  GLN  10          2HE2      GLN  10  -0.220  12.777  -3.717
   71    H    SER  11           H        SER  11  -3.413   6.693  -3.528
   72    HA   SER  11           HA       SER  11  -0.850   5.526  -2.704
   73    HB2  SER  11           2HB      SER  11  -1.832   3.350  -2.339
   74    HB3  SER  11           1HB      SER  11  -2.707   4.520  -1.352
   75    HG   SER  11           HG       SER  11  -4.240   4.596  -3.164
   76    H    LYS  12           H        LYS  12   0.202   4.341  -4.263
   77    HA   LYS  12           HA       LYS  12  -1.109   4.212  -6.901
   78    HB2  LYS  12           2HB      LYS  12   1.795   4.781  -6.281
   79    HB3  LYS  12           1HB      LYS  12   1.145   4.540  -7.897
   80    HG2  LYS  12           2HG      LYS  12  -0.331   6.497  -7.545
   81    HG3  LYS  12           1HG      LYS  12   0.458   6.764  -5.989
   82    HD2  LYS  12           2HD      LYS  12   2.627   6.961  -7.179
   83    HD3  LYS  12           1HD      LYS  12   1.759   6.824  -8.710
   84    HE2  LYS  12           2HE      LYS  12   1.520   9.035  -8.665
   85    HE3  LYS  12           1HE      LYS  12   0.411   8.813  -7.313
   86    HZ1  LYS  12           1HZ      LYS  12   2.476  10.357  -7.086
   87    HZ2  LYS  12           2HZ      LYS  12   3.296   8.910  -6.782
   88    HZ3  LYS  12           3HZ      LYS  12   2.006   9.373  -5.792
   89    H    GLY  13           H        GLY  13  -0.712   2.227  -4.618
   90    HA2  GLY  13           2HA      GLY  13   1.157   0.275  -5.333
   91    HA3  GLY  13           1HA      GLY  13  -0.306  -0.019  -4.405
   92    H    TYR  14           H        TYR  14   1.199  -0.166  -7.528
   93    HA   TYR  14           HA       TYR  14  -1.191  -1.020  -8.901
   94    HB2  TYR  14           2HB      TYR  14   0.568   0.197 -10.101
   95    HB3  TYR  14           1HB      TYR  14   1.705  -1.108  -9.774
   96    HD1  TYR  14           2HD      TYR  14  -1.331  -0.172 -11.651
   97    HD2  TYR  14           1HD      TYR  14   1.701  -3.101 -11.083
   98    HE1  TYR  14           2HE      TYR  14  -2.041  -1.298 -13.719
   99    HE2  TYR  14           1HE      TYR  14   1.001  -4.236 -13.149
  100    HH   TYR  14           HH       TYR  14  -1.279  -4.348 -14.506
  101    H    TRP  15           H        TRP  15  -1.971  -3.015  -8.902
  102    HA   TRP  15           HA       TRP  15  -0.387  -5.191  -7.764
  103    HB2  TRP  15           2HB      TRP  15  -2.480  -6.427  -7.669
  104    HB3  TRP  15           1HB      TRP  15  -2.698  -4.826  -6.968
  105    HD1  TRP  15           HD       TRP  15  -3.809  -6.991  -9.896
  106    HE1  TRP  15           1HE      TRP  15  -5.772  -5.835 -11.092
  107    HE3  TRP  15           3HE      TRP  15  -3.692  -2.487  -7.479
  108    HZ2  TRP  15           2HZ      TRP  15  -7.096  -3.342 -11.021
  109    HZ3  TRP  15           3HZ      TRP  15  -5.341  -0.771  -8.102
  110    HH2  TRP  15           HH       TRP  15  -7.007  -1.191  -9.839
  111    H    GLN  16           H        GLN  16   0.742  -6.502  -9.030
  112    HA   GLN  16           HA       GLN  16   0.237  -6.648 -11.887
  113    HB2  GLN  16           2HB      GLN  16   2.554  -6.579 -10.943
  114    HB3  GLN  16           1HB      GLN  16   2.263  -8.146 -10.203
  115    HG2  GLN  16           2HG      GLN  16   1.986  -9.149 -12.399
  116    HG3  GLN  16           1HG      GLN  16   2.229  -7.575 -13.158
  117   HE21  GLN  16          1HE2      GLN  16   3.805  -9.678 -13.856
  118   HE22  GLN  16          2HE2      GLN  16   5.411  -9.437 -13.270
  119    H    GLU  17           H        GLU  17  -0.752  -8.185 -12.951
  120    HA   GLU  17           HA       GLU  17  -2.501  -9.925 -11.650
  121    HB2  GLU  17           2HB      GLU  17  -1.591  -9.933 -14.524
  122    HB3  GLU  17           1HB      GLU  17  -2.979 -10.815 -13.903
  123    HG2  GLU  17           2HG      GLU  17  -3.982  -8.669 -13.206
  124    HG3  GLU  17           1HG      GLU  17  -2.622  -7.829 -13.948
  125    H    ASP  18           H        ASP  18  -2.694 -12.182 -11.712
  126    HA   ASP  18           HA       ASP  18  -0.543 -13.692 -10.809
  127    HB2  ASP  18           2HB      ASP  18  -2.889 -14.315 -10.498
  128    HB3  ASP  18           1HB      ASP  18  -3.049 -14.617 -12.220
  129    H    GLU  19           H        GLU  19  -2.054 -13.791 -14.020
  130    HA   GLU  19           HA       GLU  19  -0.264 -15.618 -15.152
  131    HB2  GLU  19           2HB      GLU  19  -1.971 -13.492 -16.440
  132    HB3  GLU  19           1HB      GLU  19  -1.082 -14.707 -17.346
  133    HG2  GLU  19           2HG      GLU  19  -2.353 -16.467 -16.193
  134    HG3  GLU  19           1HG      GLU  19  -3.268 -15.223 -15.341
  135    H    ASP  20           H        ASP  20  -0.173 -12.084 -15.069
  136    HA   ASP  20           HA       ASP  20   2.100 -11.859 -16.756
  137    HB2  ASP  20           2HB      ASP  20   0.943  -9.930 -14.729
  138    HB3  ASP  20           1HB      ASP  20   2.223  -9.525 -15.869
  139    H    ALA  21           H        ALA  21   1.595 -12.313 -13.358
  140    HA   ALA  21           HA       ALA  21   4.514 -12.334 -12.909
  141    HB1  ALA  21           1HB      ALA  21   2.418 -11.954 -10.783
  142    HB2  ALA  21           2HB      ALA  21   3.171 -10.613 -11.645
  143    HB3  ALA  21           3HB      ALA  21   4.155 -11.687 -10.654
  144    HA   PRO  22           HA       PRO  22   2.962 -16.688 -12.370
  145    HB2  PRO  22           2HB      PRO  22   4.775 -17.873 -13.959
  146    HB3  PRO  22           1HB      PRO  22   3.324 -17.106 -14.611
  147    HG2  PRO  22           2HG      PRO  22   6.115 -16.031 -14.452
  148    HG3  PRO  22           1HG      PRO  22   4.979 -15.985 -15.814
  149    HD2  PRO  22           2HD      PRO  22   5.370 -13.878 -14.139
  150    HD3  PRO  22           1HD      PRO  22   3.822 -14.192 -14.950
  151    H    ALA  23           H        ALA  23   5.830 -14.972 -11.804
  152    HA   ALA  23           HA       ALA  23   6.701 -16.996  -9.859
  153    HB1  ALA  23           1HB      ALA  23   9.080 -16.404 -10.434
  154    HB2  ALA  23           2HB      ALA  23   8.452 -15.603 -11.874
  155    HB3  ALA  23           3HB      ALA  23   8.217 -17.337 -11.657
  156    H    CYS  24           H        CYS  24   7.969 -16.104  -8.081
  157    HA   CYS  24           HA       CYS  24   6.892 -13.719  -7.091
  158    HB2  CYS  24           2HB      CYS  24   7.871 -15.661  -5.784
  159    HB3  CYS  24           1HB      CYS  24   9.456 -14.985  -6.143
  160    HG   CYS  24           HG       CYS  24   8.961 -13.005  -4.634
  161    H    ASN  25           H        ASN  25   7.371 -11.693  -7.445
  162    HA   ASN  25           HA       ASN  25   9.349 -10.814  -9.223
  163    HB2  ASN  25           2HB      ASN  25   7.699  -9.374  -7.148
  164    HB3  ASN  25           1HB      ASN  25   8.820  -8.531  -8.213
  165   HD21  ASN  25          1HD2      ASN  25   8.508  -8.969 -10.566
  166   HD22  ASN  25          2HD2      ASN  25   6.884  -9.072 -11.143
  167    H    GLY  26           H        GLY  26   9.453 -11.425  -5.792
  168    HA2  GLY  26           2HA      GLY  26  11.862  -9.872  -5.406
  169    HA3  GLY  26           1HA      GLY  26  11.031 -10.832  -4.198
  170    H    CYS  27           H        CYS  27  11.111 -13.358  -5.013
  171    HA   CYS  27           HA       CYS  27  13.995 -13.855  -5.222
  172    HB2  CYS  27           2HB      CYS  27  13.589 -15.971  -4.110
  173    HB3  CYS  27           1HB      CYS  27  12.877 -14.658  -3.179
  174    HG   CYS  27           HG       CYS  27  11.130 -16.539  -3.252
  175    H    GLY  28           H        GLY  28  11.379 -13.918  -7.253
  176    HA2  GLY  28           2HA      GLY  28  11.170 -14.781  -9.362
  177    HA3  GLY  28           1HA      GLY  28  12.797 -15.415  -9.200
  178    H    CYS  29           H        CYS  29  10.771 -16.483  -6.690
  179    HA   CYS  29           HA       CYS  29  10.887 -19.169  -7.656
  180    HB2  CYS  29           2HB      CYS  29   9.949 -19.825  -5.608
  181    HB3  CYS  29           1HB      CYS  29  10.894 -18.398  -5.205
  182    HG   CYS  29           HG       CYS  29   8.819 -17.647  -4.137
  183    H    VAL  30           H        VAL  30   9.266 -20.485  -8.414
  184    HA   VAL  30           HA       VAL  30   7.141 -19.119  -9.803
  185    HB   VAL  30           HB       VAL  30   7.142 -22.070  -9.733
  186   HG11  VAL  30          1HG1      VAL  30   6.426 -19.890 -11.536
  187   HG12  VAL  30          2HG1      VAL  30   5.740 -21.506 -11.379
  188   HG13  VAL  30          3HG1      VAL  30   7.201 -21.257 -12.335
  189   HG21  VAL  30          1HG2      VAL  30   9.447 -20.452 -10.752
  190   HG22  VAL  30          2HG2      VAL  30   9.016 -21.988 -11.505
  191   HG23  VAL  30          3HG2      VAL  30   9.464 -21.935  -9.799
  192    H    PHE  31           H        PHE  31   5.012 -19.133  -9.377
  193    HA   PHE  31           HA       PHE  31   4.166 -20.026  -6.759
  194    HB2  PHE  31           2HB      PHE  31   2.651 -18.616  -8.970
  195    HB3  PHE  31           1HB      PHE  31   1.995 -18.972  -7.374
  196    HD1  PHE  31           1HD      PHE  31   3.046 -17.911  -5.363
  197    HD2  PHE  31           2HD      PHE  31   3.993 -16.724  -9.339
  198    HE1  PHE  31           1HE      PHE  31   3.961 -15.792  -4.509
  199    HE2  PHE  31           2HE      PHE  31   4.910 -14.603  -8.492
  200    HZ   PHE  31           HZ       PHE  31   4.896 -14.137  -6.074
  201    H    THR  32           H        THR  32   2.978 -21.727  -6.303
  202    HA   THR  32           HA       THR  32   1.921 -23.363  -8.511
  203    HB   THR  32           HB       THR  32   2.649 -25.368  -7.444
  204    HG1  THR  32           1HG      THR  32   3.153 -23.676  -5.260
  205   HG21  THR  32          1HG2      THR  32   5.124 -23.987  -6.801
  206   HG22  THR  32          2HG2      THR  32   4.474 -23.562  -8.385
  207   HG23  THR  32          3HG2      THR  32   4.799 -25.249  -7.989
  208    H    THR  33           H        THR  33   0.328 -25.042  -7.666
  209    HA   THR  33           HA       THR  33  -1.929 -23.850  -6.655
  210    HB   THR  33           HB       THR  33  -1.139 -26.744  -6.282
  211    HG1  THR  33           1HG      THR  33  -1.642 -27.042  -8.311
  212   HG21  THR  33          1HG2      THR  33  -3.921 -25.751  -6.714
  213   HG22  THR  33          2HG2      THR  33  -3.230 -25.832  -5.094
  214   HG23  THR  33          3HG2      THR  33  -3.370 -27.297  -6.068
  215    H    THR  34           H        THR  34   0.573 -25.584  -4.801
  216    HA   THR  34           HA       THR  34  -0.783 -25.316  -2.334
  217    HB   THR  34           HB       THR  34   2.186 -25.697  -2.796
  218    HG1  THR  34           1HG      THR  34   1.574 -27.551  -3.532
  219   HG21  THR  34          1HG2      THR  34   2.180 -26.824  -0.628
  220   HG22  THR  34          2HG2      THR  34   0.491 -26.368  -0.403
  221   HG23  THR  34          3HG2      THR  34   1.737 -25.123  -0.491
  222    H    VAL  35           H        VAL  35   1.554 -23.254  -4.012
  223    HA   VAL  35           HA       VAL  35   1.722 -21.467  -1.732
  224    HB   VAL  35           HB       VAL  35   2.883 -21.257  -4.503
  225   HG11  VAL  35          1HG1      VAL  35   2.652 -19.037  -3.842
  226   HG12  VAL  35          2HG1      VAL  35   4.296 -19.448  -3.350
  227   HG13  VAL  35          3HG1      VAL  35   3.002 -19.407  -2.153
  228   HG21  VAL  35          1HG2      VAL  35   4.914 -21.352  -2.612
  229   HG22  VAL  35          2HG2      VAL  35   4.424 -22.648  -3.705
  230   HG23  VAL  35          3HG2      VAL  35   3.746 -22.563  -2.079
  231    H    ARG  36           H        ARG  36   0.160 -20.137  -1.349
  232    HA   ARG  36           HA       ARG  36  -1.754 -19.270  -3.298
  233    HB2  ARG  36           2HB      ARG  36  -1.249 -18.321  -0.470
  234    HB3  ARG  36           1HB      ARG  36  -2.634 -17.870  -1.455
  235    HG2  ARG  36           2HG      ARG  36  -3.301 -20.241  -1.552
  236    HG3  ARG  36           1HG      ARG  36  -1.952 -20.637  -0.486
  237    HD2  ARG  36           2HD      ARG  36  -3.862 -20.475   0.898
  238    HD3  ARG  36           1HD      ARG  36  -2.934 -19.000   1.164
  239    HE   ARG  36           HE       ARG  36  -4.665 -17.790   0.275
  240   HH11  ARG  36          1HH1      ARG  36  -5.100 -21.157  -0.489
  241   HH12  ARG  36          2HH1      ARG  36  -6.692 -20.941  -1.137
  242   HH21  ARG  36          1HH2      ARG  36  -6.764 -17.491  -0.573
  243   HH22  ARG  36          2HH2      ARG  36  -7.638 -18.855  -1.185
  244    H    ARG  37           H        ARG  37  -2.020 -17.261  -4.190
  245    HA   ARG  37           HA       ARG  37   0.412 -15.738  -4.537
  246    HB2  ARG  37           2HB      ARG  37  -1.098 -16.296  -6.428
  247    HB3  ARG  37           1HB      ARG  37  -2.336 -15.279  -5.705
  248    HG2  ARG  37           2HG      ARG  37  -0.956 -13.324  -5.989
  249    HG3  ARG  37           1HG      ARG  37   0.371 -14.321  -6.594
  250    HD2  ARG  37           2HD      ARG  37  -2.337 -14.030  -7.886
  251    HD3  ARG  37           1HD      ARG  37  -0.855 -13.233  -8.419
  252    HE   ARG  37           HE       ARG  37  -1.582 -16.001  -8.808
  253   HH11  ARG  37          1HH1      ARG  37   0.969 -13.636  -8.800
  254   HH12  ARG  37          2HH1      ARG  37   2.056 -14.612  -9.730
  255   HH21  ARG  37          1HH2      ARG  37  -0.157 -17.299 -10.031
  256   HH22  ARG  37          2HH2      ARG  37   1.415 -16.694 -10.432
  257    H    HIS  38           H        HIS  38   0.802 -13.667  -3.860
  258    HA   HIS  38           HA       HIS  38  -1.294 -12.251  -2.410
  259    HB2  HIS  38           2HB      HIS  38   1.405 -12.899  -1.209
  260    HB3  HIS  38           1HB      HIS  38   0.207 -11.827  -0.493
  261    HD1  HIS  38           1HD      HIS  38  -2.136 -13.041   0.146
  262    HD2  HIS  38           2HD      HIS  38   1.137 -15.516  -0.514
  263    HE1  HIS  38           1HE      HIS  38  -2.742 -15.250   1.184
  264    HE2  HIS  38           2HE      HIS  38  -0.705 -16.698   0.865
  265    H    HIS  39           H        HIS  39  -0.553 -10.034  -1.771
  266    HA   HIS  39           HA       HIS  39   1.418  -8.960  -3.686
  267    HB2  HIS  39           2HB      HIS  39  -1.273  -7.738  -3.046
  268    HB3  HIS  39           1HB      HIS  39  -0.048  -7.038  -4.100
  269    HD1  HIS  39           1HD      HIS  39   0.527  -8.585  -6.283
  270    HD2  HIS  39           2HD      HIS  39  -3.064  -9.321  -4.326
  271    HE1  HIS  39           1HE      HIS  39  -0.883  -9.866  -7.925
  272    HE2  HIS  39           2HE      HIS  39  -3.085 -10.219  -6.751
  273    H    CYS  40           H        CYS  40   2.563  -7.121  -3.040
  274    HA   CYS  40           HA       CYS  40   2.653  -6.672  -0.156
  275    HB2  CYS  40           2HB      CYS  40   4.791  -7.082  -1.196
  276    HB3  CYS  40           1HB      CYS  40   4.473  -5.884  -2.445
  277    HG   CYS  40           HG       CYS  40   4.549  -4.625   0.304
  278    H    ARG  41           H        ARG  41   2.094  -4.747   0.775
  279    HA   ARG  41           HA       ARG  41   0.326  -3.066  -0.677
  280    HB2  ARG  41           2HB      ARG  41   1.459  -2.809   2.108
  281    HB3  ARG  41           1HB      ARG  41   0.189  -1.784   1.456
  282    HG2  ARG  41           2HG      ARG  41  -1.196  -3.815   1.108
  283    HG3  ARG  41           1HG      ARG  41   0.058  -4.754   1.923
  284    HD2  ARG  41           2HD      ARG  41  -1.629  -4.241   3.532
  285    HD3  ARG  41           1HD      ARG  41  -0.214  -3.254   3.901
  286    HE   ARG  41           HE       ARG  41  -1.749  -1.661   2.309
  287   HH11  ARG  41          1HH1      ARG  41  -2.285  -3.397   5.281
  288   HH12  ARG  41          2HH1      ARG  41  -3.460  -2.272   5.876
  289   HH21  ARG  41          1HH2      ARG  41  -3.291  -0.175   3.083
  290   HH22  ARG  41          2HH2      ARG  41  -4.031  -0.438   4.628
  291    H    ASN  42           H        ASN  42   3.636  -3.036  -0.602
  292    HA   ASN  42           HA       ASN  42   3.834  -0.122  -0.838
  293    HB2  ASN  42           2HB      ASN  42   5.909  -2.271  -0.410
  294    HB3  ASN  42           1HB      ASN  42   6.330  -0.602  -0.773
  295   HD21  ASN  42          1HD2      ASN  42   6.288  -2.628   1.650
  296   HD22  ASN  42          2HD2      ASN  42   5.838  -1.593   2.956
  297    H    CYS  43           H        CYS  43   5.584  -2.789  -2.428
  298    HA   CYS  43           HA       CYS  43   5.871  -1.255  -4.815
  299    HB2  CYS  43           2HB      CYS  43   7.025  -3.212  -5.713
  300    HB3  CYS  43           1HB      CYS  43   7.594  -2.841  -4.091
  301    HG   CYS  43           HG       CYS  43   6.145  -4.887  -3.242
  302    H    GLY  44           H        GLY  44   3.550  -3.558  -3.693
  303    HA2  GLY  44           2HA      GLY  44   1.516  -4.142  -4.609
  304    HA3  GLY  44           1HA      GLY  44   1.848  -3.029  -5.925
  305    H    TYR  45           H        TYR  45   4.213  -5.436  -5.299
  306    HA   TYR  45           HA       TYR  45   3.465  -6.792  -7.782
  307    HB2  TYR  45           2HB      TYR  45   6.029  -6.794  -6.189
  308    HB3  TYR  45           1HB      TYR  45   5.756  -7.817  -7.592
  309    HD1  TYR  45           1HD      TYR  45   5.734  -4.240  -6.561
  310    HD2  TYR  45           2HD      TYR  45   6.305  -7.036  -9.710
  311    HE1  TYR  45           1HE      TYR  45   6.512  -2.421  -8.022
  312    HE2  TYR  45           2HE      TYR  45   7.082  -5.227 -11.186
  313    HH   TYR  45           HH       TYR  45   6.630  -2.542 -11.204
  314    H    VAL  46           H        VAL  46   3.856  -9.157  -7.846
  315    HA   VAL  46           HA       VAL  46   2.385 -10.348  -5.674
  316    HB   VAL  46           HB       VAL  46   3.531 -11.654  -8.148
  317   HG11  VAL  46          1HG1      VAL  46   1.369 -12.783  -6.409
  318   HG12  VAL  46          2HG1      VAL  46   3.069 -13.087  -6.058
  319   HG13  VAL  46          3HG1      VAL  46   2.383 -13.604  -7.596
  320   HG21  VAL  46          1HG2      VAL  46   1.601  -9.832  -8.190
  321   HG22  VAL  46          2HG2      VAL  46   0.619 -11.224  -7.735
  322   HG23  VAL  46          3HG2      VAL  46   1.556 -11.256  -9.228
  323    H    LEU  47           H        LEU  47   3.168 -11.451  -4.009
  324    HA   LEU  47           HA       LEU  47   5.930 -12.458  -4.129
  325    HB2  LEU  47           2HB      LEU  47   4.639 -10.948  -1.852
  326    HB3  LEU  47           1HB      LEU  47   6.140 -11.834  -1.705
  327    HG   LEU  47           HG       LEU  47   6.395  -9.372  -1.928
  328   HD11  LEU  47          1HD1      LEU  47   8.074  -9.588  -3.901
  329   HD12  LEU  47          2HD1      LEU  47   7.674 -11.302  -3.790
  330   HD13  LEU  47          3HD1      LEU  47   8.348 -10.462  -2.395
  331   HD21  LEU  47          1HD2      LEU  47   5.710  -8.170  -3.692
  332   HD22  LEU  47          2HD2      LEU  47   4.519  -9.462  -3.831
  333   HD23  LEU  47          3HD2      LEU  47   5.969  -9.487  -4.835
  334    H    CYS  48           H        CYS  48   6.230 -14.451  -3.221
  335    HA   CYS  48           HA       CYS  48   3.880 -15.960  -2.514
  336    HB2  CYS  48           2HB      CYS  48   5.228 -17.863  -2.605
  337    HB3  CYS  48           1HB      CYS  48   6.042 -16.791  -3.741
  338    HG   CYS  48           HG       CYS  48   7.971 -16.527  -2.152
  339    H    GLY  49           H        GLY  49   4.248 -17.460  -0.396
  340    HA2  GLY  49           2HA      GLY  49   3.915 -15.803   1.794
  341    HA3  GLY  49           1HA      GLY  49   4.372 -17.498   1.897
  342    H    ASP  50           H        ASP  50   6.837 -17.659   0.972
  343    HA   ASP  50           HA       ASP  50   8.452 -16.758   3.041
  344    HB2  ASP  50           2HB      ASP  50   9.087 -17.745   0.273
  345    HB3  ASP  50           1HB      ASP  50  10.360 -17.274   1.393
  346    H    CYS  51           H        CYS  51   7.756 -15.206  -0.008
  347    HA   CYS  51           HA       CYS  51   9.735 -13.139   0.486
  348    HB2  CYS  51           2HB      CYS  51   8.037 -13.931  -1.814
  349    HB3  CYS  51           1HB      CYS  51   8.489 -12.232  -1.702
  350    HG   CYS  51           HG       CYS  51  11.044 -13.382  -1.504
  351    H    SER  52           H        SER  52   6.694 -13.732   1.571
  352    HA   SER  52           HA       SER  52   6.198 -10.878   2.017
  353    HB2  SER  52           2HB      SER  52   3.820 -11.168   1.681
  354    HB3  SER  52           1HB      SER  52   4.656 -11.765   0.247
  355    HG   SER  52           HG       SER  52   3.723 -13.377   2.393
  356    H    ARG  53           H        ARG  53   7.434 -13.093   3.564
  357    HA   ARG  53           HA       ARG  53   5.563 -13.738   5.652
  358    HB2  ARG  53           2HB      ARG  53   8.522 -14.206   5.319
  359    HB3  ARG  53           1HB      ARG  53   7.691 -14.583   6.822
  360    HG2  ARG  53           2HG      ARG  53   6.188 -16.087   5.531
  361    HG3  ARG  53           1HG      ARG  53   7.186 -15.778   4.112
  362    HD2  ARG  53           2HD      ARG  53   7.927 -17.826   5.078
  363    HD3  ARG  53           1HD      ARG  53   9.154 -16.600   5.399
  364    HE   ARG  53           HE       ARG  53   7.206 -16.988   7.505
  365   HH11  ARG  53          1HH1      ARG  53  10.323 -17.863   6.216
  366   HH12  ARG  53          2HH1      ARG  53  10.941 -18.415   7.737
  367   HH21  ARG  53          1HH2      ARG  53   8.013 -17.713   9.514
  368   HH22  ARG  53          2HH2      ARG  53   9.628 -18.331   9.610
  369    H    HIS  54           H        HIS  54   7.759 -11.136   4.989
  370    HA   HIS  54           HA       HIS  54   8.086 -10.346   7.717
  371    HB2  HIS  54           2HB      HIS  54   8.615  -8.883   5.130
  372    HB3  HIS  54           1HB      HIS  54   9.013  -8.239   6.712
  373    HD1  HIS  54           1HD      HIS  54  10.762  -9.797   8.118
  374    HD2  HIS  54           2HD      HIS  54  10.585 -10.377   4.009
  375    HE1  HIS  54           1HE      HIS  54  12.895 -10.981   7.516
  376    HE2  HIS  54           2HE      HIS  54  12.828 -11.192   5.006
  377    H    ARG  55           H        ARG  55   7.436  -8.203   8.497
  378    HA   ARG  55           HA       ARG  55   4.941  -7.196   7.355
  379    HB2  ARG  55           2HB      ARG  55   5.274  -7.933  10.271
  380    HB3  ARG  55           1HB      ARG  55   3.885  -7.100   9.580
  381    HG2  ARG  55           2HG      ARG  55   3.469  -9.071   8.146
  382    HG3  ARG  55           1HG      ARG  55   4.783  -9.907   8.974
  383    HD2  ARG  55           2HD      ARG  55   3.578  -9.556  11.118
  384    HD3  ARG  55           1HD      ARG  55   2.234  -8.871  10.205
  385    HE   ARG  55           HE       ARG  55   2.686 -11.333   9.083
  386   HH11  ARG  55          1HH1      ARG  55   1.936 -10.132  12.263
  387   HH12  ARG  55          2HH1      ARG  55   1.074 -11.556  12.740
  388   HH21  ARG  55          1HH2      ARG  55   1.552 -13.215   9.699
  389   HH22  ARG  55          2HH2      ARG  55   0.854 -13.309  11.281
  390    H    ALA  56           H        ALA  56   4.730  -5.031   7.487
  391    HA   ALA  56           HA       ALA  56   6.268  -3.456   9.365
  392    HB1  ALA  56           1HB      ALA  56   7.067  -3.648   6.497
  393    HB2  ALA  56           2HB      ALA  56   8.073  -3.619   7.944
  394    HB3  ALA  56           3HB      ALA  56   7.302  -2.138   7.377
  395    H    ALA  57           H        ALA  57   5.731  -1.208   9.365
  396    HA   ALA  57           HA       ALA  57   3.075  -0.696   8.279
  397    HB1  ALA  57           1HB      ALA  57   3.566  -0.188  10.658
  398    HB2  ALA  57           2HB      ALA  57   3.045   1.229   9.747
  399    HB3  ALA  57           3HB      ALA  57   4.752   1.004  10.129
  400    H    ILE  58           H        ILE  58   2.644   1.176   6.972
  401    HA   ILE  58           HA       ILE  58   5.026   2.319   5.683
  402    HB   ILE  58           HB       ILE  58   2.497   1.868   4.154
  403   HG12  ILE  58          2HG1      ILE  58   4.689  -0.195   4.484
  404   HG13  ILE  58          1HG1      ILE  58   3.102  -0.294   5.238
  405   HG21  ILE  58          1HG2      ILE  58   4.312   3.252   3.231
  406   HG22  ILE  58          2HG2      ILE  58   4.016   1.806   2.269
  407   HG23  ILE  58          3HG2      ILE  58   5.404   1.874   3.351
  408   HD11  ILE  58          1HD1      ILE  58   3.807  -1.380   2.834
  409   HD12  ILE  58          2HD1      ILE  58   2.976   0.103   2.361
  410   HD13  ILE  58          3HD1      ILE  58   2.159  -1.077   3.385
  411    HA   PRO  59           HA       PRO  59   2.384   5.720   7.348
  412    HB2  PRO  59           2HB      PRO  59   4.479   7.355   7.927
  413    HB3  PRO  59           1HB      PRO  59   3.867   6.121   9.031
  414    HG2  PRO  59           2HG      PRO  59   6.214   6.001   7.175
  415    HG3  PRO  59           1HG      PRO  59   6.083   5.438   8.852
  416    HD2  PRO  59           2HD      PRO  59   5.910   3.748   6.757
  417    HD3  PRO  59           1HD      PRO  59   4.980   3.497   8.249
  418    H    MET  60           H        MET  60   4.503   5.443   4.641
  419    HA   MET  60           HA       MET  60   4.025   8.178   3.766
  420    HB2  MET  60           2HB      MET  60   5.445   5.832   2.485
  421    HB3  MET  60           1HB      MET  60   5.279   7.412   1.732
  422    HG2  MET  60           2HG      MET  60   6.480   8.390   3.678
  423    HG3  MET  60           1HG      MET  60   6.760   6.752   4.264
  424    HE1  MET  60           1HE      MET  60   9.133   5.201   1.712
  425    HE2  MET  60           2HE      MET  60   7.427   5.223   1.266
  426    HE3  MET  60           3HE      MET  60   7.896   4.944   2.943
  427    H    ARG  61           H        ARG  61   3.050   4.899   3.138
  428    HA   ARG  61           HA       ARG  61   1.285   5.605   0.950
  429    HB2  ARG  61           2HB      ARG  61   1.519   2.989   2.440
  430    HB3  ARG  61           1HB      ARG  61   0.766   3.246   0.872
  431    HG2  ARG  61           2HG      ARG  61   3.688   3.660   1.464
  432    HG3  ARG  61           1HG      ARG  61   2.999   2.215   0.722
  433    HD2  ARG  61           2HD      ARG  61   2.643   4.971  -0.429
  434    HD3  ARG  61           1HD      ARG  61   4.006   3.930  -0.845
  435    HE   ARG  61           HE       ARG  61   1.377   2.757  -1.186
  436   HH11  ARG  61          1HH1      ARG  61   4.026   4.476  -2.664
  437   HH12  ARG  61          2HH1      ARG  61   3.611   3.992  -4.273
  438   HH21  ARG  61          1HH2      ARG  61   0.826   2.115  -3.302
  439   HH22  ARG  61          2HH2      ARG  61   1.792   2.651  -4.635
  440    H    GLY  62           H        GLY  62   1.125   6.087   4.139
  441    HA2  GLY  62           2HA      GLY  62  -0.752   6.964   5.271
  442    HA3  GLY  62           1HA      GLY  62  -1.797   6.148   4.116
  443    H    ILE  63           H        ILE  63   0.598   4.050   5.161
  444    HA   ILE  63           HA       ILE  63  -1.300   2.696   6.920
  445    HB   ILE  63           HB       ILE  63   1.301   1.746   5.700
  446   HG12  ILE  63          2HG1      ILE  63  -1.528   0.968   4.979
  447   HG13  ILE  63          1HG1      ILE  63  -0.608   2.200   4.119
  448   HG21  ILE  63          1HG2      ILE  63  -0.773   0.267   7.305
  449   HG22  ILE  63          2HG2      ILE  63   0.920   0.537   7.722
  450   HG23  ILE  63          3HG2      ILE  63   0.501  -0.513   6.366
  451   HD11  ILE  63          1HD1      ILE  63   0.414  -0.598   4.438
  452   HD12  ILE  63          2HD1      ILE  63   0.907   0.637   3.277
  453   HD13  ILE  63          3HD1      ILE  63  -0.671  -0.135   3.124
  454    H    THR  64           H        THR  64  -1.126   3.587   8.922
  455    HA   THR  64           HA       THR  64   1.469   4.241  10.038
  456    HB   THR  64           HB       THR  64   0.181   5.054  11.977
  457    HG1  THR  64           1HG      THR  64  -1.582   3.412  11.427
  458   HG21  THR  64          1HG2      THR  64   0.445   6.364   9.734
  459   HG22  THR  64          2HG2      THR  64  -0.615   6.965  11.012
  460   HG23  THR  64          3HG2      THR  64  -1.298   6.113   9.626
  461    H    GLU  65           H        GLU  65  -0.679   1.578  10.055
  462    HA   GLU  65           HA       GLU  65   0.617   0.444  12.435
  463    HB2  GLU  65           2HB      GLU  65  -1.786  -0.601  10.923
  464    HB3  GLU  65           1HB      GLU  65  -1.178  -1.191  12.464
  465    HG2  GLU  65           2HG      GLU  65  -1.812   0.825  13.569
  466    HG3  GLU  65           1HG      GLU  65  -2.213   1.600  12.037
  467    HA   PRO  66           HA       PRO  66   3.191  -2.087   9.951
  468    HB2  PRO  66           2HB      PRO  66   3.161  -4.434  11.437
  469    HB3  PRO  66           1HB      PRO  66   4.207  -3.048  11.760
  470    HG2  PRO  66           2HG      PRO  66   1.626  -3.820  13.049
  471    HG3  PRO  66           1HG      PRO  66   3.083  -3.123  13.782
  472    HD2  PRO  66           2HD      PRO  66   0.897  -1.636  13.277
  473    HD3  PRO  66           1HD      PRO  66   2.537  -0.970  13.122
  474    H    GLU  67           H        GLU  67   2.658  -2.958   8.099
  475    HA   GLU  67           HA       GLU  67   0.483  -4.935   7.998
  476    HB2  GLU  67           2HB      GLU  67   1.132  -2.800   5.957
  477    HB3  GLU  67           1HB      GLU  67  -0.104  -4.030   5.772
  478    HG2  GLU  67           2HG      GLU  67  -0.067  -1.891   7.885
  479    HG3  GLU  67           1HG      GLU  67  -1.049  -1.880   6.422
  480    H    ARG  68           H        ARG  68   0.599  -6.296   5.975
  481    HA   ARG  68           HA       ARG  68   3.150  -7.527   5.840
  482    HB2  ARG  68           2HB      ARG  68   2.122  -9.052   4.244
  483    HB3  ARG  68           1HB      ARG  68   1.079  -8.794   5.637
  484    HG2  ARG  68           2HG      ARG  68  -0.189  -7.126   4.273
  485    HG3  ARG  68           1HG      ARG  68   0.774  -7.623   2.880
  486    HD2  ARG  68           2HD      ARG  68  -0.021  -9.941   3.210
  487    HD3  ARG  68           1HD      ARG  68  -1.047  -9.376   4.527
  488    HE   ARG  68           HE       ARG  68  -1.465  -8.971   1.683
  489   HH11  ARG  68          1HH1      ARG  68  -2.376  -8.115   4.936
  490   HH12  ARG  68          2HH1      ARG  68  -3.931  -7.508   4.476
  491   HH21  ARG  68          1HH2      ARG  68  -3.511  -8.168   1.071
  492   HH22  ARG  68          2HH2      ARG  68  -4.577  -7.538   2.283
  493    H    VAL  69           H        VAL  69   4.704  -7.482   4.397
  494    HA   VAL  69           HA       VAL  69   4.419  -6.089   1.845
  495    HB   VAL  69           HB       VAL  69   6.486  -4.803   2.191
  496   HG11  VAL  69          1HG1      VAL  69   4.528  -3.552   2.461
  497   HG12  VAL  69          2HG1      VAL  69   5.495  -3.175   3.890
  498   HG13  VAL  69          3HG1      VAL  69   4.153  -4.311   4.012
  499   HG21  VAL  69          1HG2      VAL  69   7.057  -4.496   4.736
  500   HG22  VAL  69          2HG2      VAL  69   7.745  -5.839   3.818
  501   HG23  VAL  69          3HG2      VAL  69   6.357  -6.110   4.873
  502    H    CYS  70           H        CYS  70   6.776  -6.211   0.782
  503    HA   CYS  70           HA       CYS  70   7.531  -9.026   0.940
  504    HB2  CYS  70           2HB      CYS  70   8.237  -8.894  -1.256
  505    HB3  CYS  70           1HB      CYS  70   6.943  -7.705  -1.254
  506    HG   CYS  70           HG       CYS  70   9.223  -6.867  -2.412
  507    H    ASP  71           H        ASP  71  10.151  -8.790  -0.102
  508    HA   ASP  71           HA       ASP  71  11.481  -8.004   2.349
  509    HB2  ASP  71           2HB      ASP  71  13.485  -9.022   1.389
  510    HB3  ASP  71           1HB      ASP  71  12.108 -10.107   1.234
  511    H    ALA  72           H        ALA  72  11.562  -6.886  -1.026
  512    HA   ALA  72           HA       ALA  72  13.629  -4.991  -0.588
  513    HB1  ALA  72           1HB      ALA  72  11.554  -4.611  -2.703
  514    HB2  ALA  72           2HB      ALA  72  12.692  -5.956  -2.808
  515    HB3  ALA  72           3HB      ALA  72  13.288  -4.296  -2.764
  516    H    CYS  73           H        CYS  73  10.101  -4.692  -0.608
  517    HA   CYS  73           HA       CYS  73   9.992  -1.913  -0.180
  518    HB2  CYS  73           2HB      CYS  73   7.956  -3.967   0.708
  519    HB3  CYS  73           1HB      CYS  73   7.671  -2.260   0.380
  520    HG   CYS  73           HG       CYS  73   8.669  -3.575  -2.111
  521    H    TYR  74           H        TYR  74  10.057  -4.668   2.030
  522    HA   TYR  74           HA       TYR  74   9.624  -3.279   4.416
  523    HB2  TYR  74           2HB      TYR  74   9.672  -5.751   4.249
  524    HB3  TYR  74           1HB      TYR  74  11.410  -5.687   3.976
  525    HD1  TYR  74           1HD      TYR  74   8.751  -5.014   6.465
  526    HD2  TYR  74           2HD      TYR  74  12.922  -5.514   5.787
  527    HE1  TYR  74           1HE      TYR  74   9.129  -5.111   8.893
  528    HE2  TYR  74           2HE      TYR  74  13.311  -5.613   8.213
  529    HH   TYR  74           HH       TYR  74  11.975  -6.206  10.268
  530    H    LEU  75           H        LEU  75  12.531  -3.814   2.520
  531    HA   LEU  75           HA       LEU  75  14.314  -2.571   4.368
  532    HB2  LEU  75           2HB      LEU  75  14.465  -3.605   1.592
  533    HB3  LEU  75           1HB      LEU  75  15.681  -2.442   2.080
  534    HG   LEU  75           HG       LEU  75  15.142  -4.876   3.749
  535   HD11  LEU  75          1HD1      LEU  75  15.569  -5.537   1.363
  536   HD12  LEU  75          2HD1      LEU  75  16.736  -6.147   2.537
  537   HD13  LEU  75          3HD1      LEU  75  17.150  -4.771   1.513
  538   HD21  LEU  75          1HD2      LEU  75  16.705  -3.906   4.994
  539   HD22  LEU  75          2HD2      LEU  75  16.986  -2.666   3.770
  540   HD23  LEU  75          3HD2      LEU  75  17.849  -4.202   3.684
  541    H    ALA  76           H        ALA  76  12.927  -1.458   1.263
  542    HA   ALA  76           HA       ALA  76  14.131   1.015   1.158
  543    HB1  ALA  76           1HB      ALA  76  11.398   0.170   0.216
  544    HB2  ALA  76           2HB      ALA  76  12.883   0.289  -0.728
  545    HB3  ALA  76           3HB      ALA  76  12.092   1.752  -0.139
  546    H    LEU  77           H        LEU  77  11.082   0.162   2.763
  547    HA   LEU  77           HA       LEU  77  10.603   2.766   3.790
  548    HB2  LEU  77           2HB      LEU  77   9.709   0.058   4.797
  549    HB3  LEU  77           1HB      LEU  77   9.103   1.588   5.400
  550    HG   LEU  77           HG       LEU  77   8.837   0.741   2.518
  551   HD11  LEU  77          1HD1      LEU  77   7.642  -0.898   3.734
  552   HD12  LEU  77          2HD1      LEU  77   6.450   0.270   3.164
  553   HD13  LEU  77          3HD1      LEU  77   6.984   0.304   4.844
  554   HD21  LEU  77          1HD2      LEU  77   7.071   2.452   2.486
  555   HD22  LEU  77          2HD2      LEU  77   8.646   3.134   2.900
  556   HD23  LEU  77          3HD2      LEU  77   7.446   2.855   4.163
  557    H    ARG  78           H        ARG  78  12.230  -0.105   4.942
  558    HA   ARG  78           HA       ARG  78  12.909   0.646   7.526
  559    HB2  ARG  78           2HB      ARG  78  13.141  -1.621   6.586
  560    HB3  ARG  78           1HB      ARG  78  14.468  -1.065   5.579
  561    HG2  ARG  78           2HG      ARG  78  15.664  -0.455   7.715
  562    HG3  ARG  78           1HG      ARG  78  14.391  -1.341   8.558
  563    HD2  ARG  78           2HD      ARG  78  14.935  -3.328   7.161
  564    HD3  ARG  78           1HD      ARG  78  16.301  -2.430   6.500
  565    HE   ARG  78           HE       ARG  78  17.445  -2.774   8.462
  566   HH11  ARG  78          1HH1      ARG  78  14.094  -3.616   8.897
  567   HH12  ARG  78          2HH1      ARG  78  14.347  -4.356  10.443
  568   HH21  ARG  78          1HH2      ARG  78  17.790  -3.745  10.497
  569   HH22  ARG  78          2HH2      ARG  78  16.448  -4.427  11.355
  570    H    SER  79           H        SER  79  14.053   1.878   4.536
  571    HA   SER  79           HA       SER  79  16.691   2.558   5.146
  572    HB2  SER  79           2HB      SER  79  14.721   4.048   3.397
  573    HB3  SER  79           1HB      SER  79  16.474   4.241   3.368
  574    HG   SER  79           HG       SER  79  15.602   2.791   1.748
  575    H    SER  80           H        SER  80  13.669   4.066   6.054
  576    HA   SER  80           HA       SER  80  14.483   6.604   6.757
  577    HB2  SER  80           2HB      SER  80  12.514   4.881   8.281
  578    HB3  SER  80           1HB      SER  80  12.609   6.641   8.323
  579    HG   SER  80           HG       SER  80  11.205   5.187   6.673
  580    H    ASN  81           H        ASN  81  15.009   3.580   8.448
  581    HA   ASN  81           HA       ASN  81  16.070   4.898  10.799
  582    HB2  ASN  81           2HB      ASN  81  14.807   2.706  10.860
  583    HB3  ASN  81           1HB      ASN  81  16.214   1.957  10.112
  584   HD21  ASN  81          1HD2      ASN  81  15.602   0.853  12.356
  585   HD22  ASN  81          2HD2      ASN  81  16.611   1.363  13.663
  586    H    MET  82           H        MET  82  18.062   5.675  10.869
  587    HA   MET  82           HA       MET  82  20.041   4.787   8.931
  588    HB2  MET  82           2HB      MET  82  20.087   7.013  10.974
  589    HB3  MET  82           1HB      MET  82  21.400   6.667   9.856
  590    HG2  MET  82           2HG      MET  82  19.824   7.049   7.977
  591    HG3  MET  82           1HG      MET  82  18.609   7.543   9.155
  592    HE1  MET  82           1HE      MET  82  20.855   9.839  11.147
  593    HE2  MET  82           2HE      MET  82  19.320   8.974  11.070
  594    HE3  MET  82           3HE      MET  82  19.413  10.655  10.543
  595    H    ALA  83           H        ALA  83  21.858   3.666   9.378
  596    HA   ALA  83           HA       ALA  83  21.979   2.068  11.688
  597    HB1  ALA  83           1HB      ALA  83  22.991   1.637   9.375
  598    HB2  ALA  83           2HB      ALA  83  23.924   1.133  10.785
  599    HB3  ALA  83           3HB      ALA  83  24.348   2.616   9.931
  600    H    GLY  84           H        GLY  84  23.298   2.129  13.497
  601    HA2  GLY  84           2HA      GLY  84  25.090   4.396  13.870
  602    HA3  GLY  84           1HA      GLY  84  23.696   4.326  14.938
  Start of MODEL   16
    1    H1   GLY   1           1HT      GLY   1 -14.329  21.598   1.620
    2    H2   GLY   1           2HT      GLY   1 -14.315  21.110   0.001
    3    H3   GLY   1           3HT      GLY   1 -13.466  22.495   0.474
    4    HA2  GLY   1           1HA      GLY   1 -12.109  21.001   1.968
    5    HA3  GLY   1           2HA      GLY   1 -12.833  19.668   1.084
    6    HA   PRO   2           HA       PRO   2  -9.089  20.087  -1.369
    7    HB2  PRO   2           2HB      PRO   2  -9.913  18.253  -3.276
    8    HB3  PRO   2           1HB      PRO   2  -9.068  17.848  -1.779
    9    HG2  PRO   2           2HG      PRO   2 -11.990  17.742  -2.396
   10    HG3  PRO   2           1HG      PRO   2 -10.997  16.607  -1.462
   11    HD2  PRO   2           2HD      PRO   2 -12.606  18.367  -0.250
   12    HD3  PRO   2           1HD      PRO   2 -11.019  17.951   0.431
   13    H    LEU   3           H        LEU   3  -8.530  21.058  -3.304
   14    HA   LEU   3           HA       LEU   3 -10.604  22.658  -4.535
   15    HB2  LEU   3           2HB      LEU   3  -7.656  22.542  -5.167
   16    HB3  LEU   3           1HB      LEU   3  -8.782  23.783  -5.677
   17    HG   LEU   3           HG       LEU   3  -7.835  23.248  -2.862
   18   HD11  LEU   3          1HD1      LEU   3  -7.100  25.145  -4.986
   19   HD12  LEU   3          2HD1      LEU   3  -6.157  24.534  -3.628
   20   HD13  LEU   3          3HD1      LEU   3  -7.312  25.842  -3.380
   21   HD21  LEU   3          1HD2      LEU   3 -10.033  24.986  -3.919
   22   HD22  LEU   3          2HD2      LEU   3  -9.159  25.425  -2.452
   23   HD23  LEU   3          3HD2      LEU   3 -10.039  23.899  -2.527
   24    H    GLY   4           H        GLY   4 -11.306  22.533  -6.635
   25    HA2  GLY   4           2HA      GLY   4 -11.672  21.643  -8.726
   26    HA3  GLY   4           1HA      GLY   4 -10.087  20.891  -8.614
   27    H    SER   5           H        SER   5 -10.480  18.850  -9.258
   28    HA   SER   5           HA       SER   5 -12.451  17.323  -7.695
   29    HB2  SER   5           2HB      SER   5 -12.980  16.001  -9.683
   30    HB3  SER   5           1HB      SER   5 -13.279  17.711  -9.994
   31    HG   SER   5           HG       SER   5 -10.746  16.759 -10.619
   32    H    MET   6           H        MET   6 -11.968  15.078  -7.394
   33    HA   MET   6           HA       MET   6  -9.083  14.510  -7.554
   34    HB2  MET   6           2HB      MET   6 -10.052  14.686  -5.263
   35    HB3  MET   6           1HB      MET   6 -11.110  13.335  -5.644
   36    HG2  MET   6           2HG      MET   6  -9.096  11.942  -6.043
   37    HG3  MET   6           1HG      MET   6  -8.106  13.293  -5.492
   38    HE1  MET   6           1HE      MET   6  -8.790  14.591  -3.519
   39    HE2  MET   6           2HE      MET   6  -8.306  13.712  -2.069
   40    HE3  MET   6           3HE      MET   6 -10.007  14.090  -2.345
   41    H    GLY   7           H        GLY   7  -8.395  12.756  -8.644
   42    HA2  GLY   7           2HA      GLY   7 -10.358  11.227 -10.130
   43    HA3  GLY   7           1HA      GLY   7  -8.612  11.126 -10.297
   44    H    GLU   8           H        GLU   8 -11.180   9.339  -9.539
   45    HA   GLU   8           HA       GLU   8 -10.338   8.043  -7.147
   46    HB2  GLU   8           2HB      GLU   8 -12.256   7.097  -9.285
   47    HB3  GLU   8           1HB      GLU   8 -12.062   6.366  -7.698
   48    HG2  GLU   8           2HG      GLU   8 -12.761   8.507  -6.675
   49    HG3  GLU   8           1HG      GLU   8 -13.062   9.140  -8.292
   50    H    LYS   9           H        LYS   9  -9.094   7.948 -10.252
   51    HA   LYS   9           HA       LYS   9  -8.427   5.234 -10.550
   52    HB2  LYS   9           2HB      LYS   9  -8.146   6.983 -12.319
   53    HB3  LYS   9           1HB      LYS   9  -6.774   7.618 -11.420
   54    HG2  LYS   9           2HG      LYS   9  -5.615   5.473 -11.686
   55    HG3  LYS   9           1HG      LYS   9  -6.988   4.857 -12.608
   56    HD2  LYS   9           2HD      LYS   9  -6.640   6.667 -14.260
   57    HD3  LYS   9           1HD      LYS   9  -5.207   7.171 -13.363
   58    HE2  LYS   9           2HE      LYS   9  -5.132   4.343 -13.921
   59    HE3  LYS   9           1HE      LYS   9  -5.349   5.268 -15.406
   60    HZ1  LYS   9           1HZ      LYS   9  -3.112   5.341 -13.492
   61    HZ2  LYS   9           2HZ      LYS   9  -3.431   6.685 -14.466
   62    HZ3  LYS   9           3HZ      LYS   9  -3.072   5.193 -15.177
   63    H    GLN  10           H        GLN  10  -7.567   7.469  -8.218
   64    HA   GLN  10           HA       GLN  10  -4.912   6.768  -7.607
   65    HB2  GLN  10           2HB      GLN  10  -5.955   8.796  -6.768
   66    HB3  GLN  10           1HB      GLN  10  -7.149   7.853  -5.886
   67    HG2  GLN  10           2HG      GLN  10  -5.369   6.941  -4.473
   68    HG3  GLN  10           1HG      GLN  10  -4.186   7.913  -5.351
   69   HE21  GLN  10          1HE2      GLN  10  -4.447   8.145  -2.634
   70   HE22  GLN  10          2HE2      GLN  10  -5.123   9.687  -2.245
   71    H    SER  11           H        SER  11  -4.109   4.978  -6.735
   72    HA   SER  11           HA       SER  11  -5.864   3.288  -5.088
   73    HB2  SER  11           2HB      SER  11  -3.930   2.349  -7.219
   74    HB3  SER  11           1HB      SER  11  -4.756   1.285  -6.081
   75    HG   SER  11           HG       SER  11  -5.966   2.971  -8.021
   76    H    LYS  12           H        LYS  12  -4.864   2.175  -3.391
   77    HA   LYS  12           HA       LYS  12  -2.707   3.466  -2.151
   78    HB2  LYS  12           2HB      LYS  12  -3.691   0.649  -1.648
   79    HB3  LYS  12           1HB      LYS  12  -2.748   1.638  -0.540
   80    HG2  LYS  12           2HG      LYS  12  -5.540   2.249  -1.490
   81    HG3  LYS  12           1HG      LYS  12  -5.107   1.572   0.081
   82    HD2  LYS  12           2HD      LYS  12  -3.796   3.601   0.567
   83    HD3  LYS  12           1HD      LYS  12  -4.292   4.275  -0.986
   84    HE2  LYS  12           2HE      LYS  12  -6.431   3.327   0.834
   85    HE3  LYS  12           1HE      LYS  12  -5.578   4.801   1.290
   86    HZ1  LYS  12           1HZ      LYS  12  -7.625   4.518  -0.576
   87    HZ2  LYS  12           2HZ      LYS  12  -6.229   4.920  -1.443
   88    HZ3  LYS  12           3HZ      LYS  12  -6.762   5.921  -0.189
   89    H    GLY  13           H        GLY  13  -2.880   0.731  -4.313
   90    HA2  GLY  13           2HA      GLY  13  -0.135   0.934  -5.027
   91    HA3  GLY  13           1HA      GLY  13  -0.398  -0.448  -3.973
   92    H    TYR  14           H        TYR  14   0.355  -0.229  -6.878
   93    HA   TYR  14           HA       TYR  14  -1.908  -1.243  -8.328
   94    HB2  TYR  14           2HB      TYR  14  -0.174   0.067  -9.454
   95    HB3  TYR  14           1HB      TYR  14   1.015  -1.178  -9.087
   96    HD1  TYR  14           2HD      TYR  14  -1.916  -0.331 -11.137
   97    HD2  TYR  14           1HD      TYR  14   1.094  -3.232 -10.341
   98    HE1  TYR  14           2HE      TYR  14  -2.482  -1.482 -13.233
   99    HE2  TYR  14           1HE      TYR  14   0.536  -4.392 -12.439
  100    HH   TYR  14           HH       TYR  14  -0.515  -3.905 -14.591
  101    H    TRP  15           H        TRP  15  -2.592  -3.264  -8.342
  102    HA   TRP  15           HA       TRP  15  -0.885  -5.387  -7.254
  103    HB2  TRP  15           2HB      TRP  15  -2.956  -6.724  -7.177
  104    HB3  TRP  15           1HB      TRP  15  -3.123  -5.204  -6.307
  105    HD1  TRP  15           HD       TRP  15  -4.599  -3.258  -7.567
  106    HE1  TRP  15           1HE      TRP  15  -6.589  -3.489  -9.181
  107    HE3  TRP  15           3HE      TRP  15  -3.944  -8.130  -8.977
  108    HZ2  TRP  15           2HZ      TRP  15  -7.734  -5.470 -10.828
  109    HZ3  TRP  15           3HZ      TRP  15  -5.532  -9.116 -10.577
  110    HH2  TRP  15           HH       TRP  15  -7.388  -7.814 -11.481
  111    H    GLN  16           H        GLN  16   0.222  -6.657  -8.581
  112    HA   GLN  16           HA       GLN  16  -0.423  -6.760 -11.417
  113    HB2  GLN  16           2HB      GLN  16   1.936  -6.543 -10.669
  114    HB3  GLN  16           1HB      GLN  16   1.811  -8.105  -9.876
  115    HG2  GLN  16           2HG      GLN  16   1.489  -9.205 -11.996
  116    HG3  GLN  16           1HG      GLN  16   1.475  -7.650 -12.829
  117   HE21  GLN  16          1HE2      GLN  16   3.199  -9.433 -13.749
  118   HE22  GLN  16          2HE2      GLN  16   4.819  -9.052 -13.286
  119    H    GLU  17           H        GLU  17  -1.408  -8.321 -12.432
  120    HA   GLU  17           HA       GLU  17  -2.956 -10.192 -11.114
  121    HB2  GLU  17           2HB      GLU  17  -2.069 -10.173 -13.997
  122    HB3  GLU  17           1HB      GLU  17  -3.371 -11.165 -13.356
  123    HG2  GLU  17           2HG      GLU  17  -4.572  -9.127 -12.695
  124    HG3  GLU  17           1HG      GLU  17  -3.283  -8.157 -13.405
  125    H    ASP  18           H        ASP  18  -2.956 -12.470 -11.133
  126    HA   ASP  18           HA       ASP  18  -0.638 -13.763 -10.253
  127    HB2  ASP  18           2HB      ASP  18  -3.091 -14.451 -10.013
  128    HB3  ASP  18           1HB      ASP  18  -2.929 -15.154 -11.615
  129    H    GLU  19           H        GLU  19  -2.179 -13.778 -13.439
  130    HA   GLU  19           HA       GLU  19  -0.391 -15.591 -14.638
  131    HB2  GLU  19           2HB      GLU  19  -2.163 -13.478 -15.862
  132    HB3  GLU  19           1HB      GLU  19  -1.301 -14.697 -16.786
  133    HG2  GLU  19           2HG      GLU  19  -2.527 -16.454 -15.586
  134    HG3  GLU  19           1HG      GLU  19  -3.415 -15.210 -14.708
  135    H    ASP  20           H        ASP  20  -0.392 -12.042 -14.565
  136    HA   ASP  20           HA       ASP  20   1.798 -11.743 -16.325
  137    HB2  ASP  20           2HB      ASP  20   0.721  -9.895 -14.182
  138    HB3  ASP  20           1HB      ASP  20   1.962  -9.438 -15.344
  139    H    ALA  21           H        ALA  21   1.506 -12.211 -12.893
  140    HA   ALA  21           HA       ALA  21   4.442 -12.227 -12.633
  141    HB1  ALA  21           1HB      ALA  21   2.526 -10.919 -11.093
  142    HB2  ALA  21           2HB      ALA  21   4.230 -11.145 -10.698
  143    HB3  ALA  21           3HB      ALA  21   3.028 -12.298 -10.114
  144    HA   PRO  22           HA       PRO  22   3.053 -16.653 -12.293
  145    HB2  PRO  22           2HB      PRO  22   4.916 -17.669 -13.954
  146    HB3  PRO  22           1HB      PRO  22   3.411 -16.963 -14.550
  147    HG2  PRO  22           2HG      PRO  22   6.134 -15.720 -14.368
  148    HG3  PRO  22           1HG      PRO  22   4.987 -15.693 -15.720
  149    HD2  PRO  22           2HD      PRO  22   5.242 -13.625 -13.996
  150    HD3  PRO  22           1HD      PRO  22   3.691 -14.046 -14.752
  151    H    ALA  23           H        ALA  23   5.919 -14.883 -11.751
  152    HA   ALA  23           HA       ALA  23   6.861 -16.936  -9.868
  153    HB1  ALA  23           1HB      ALA  23   9.228 -16.016 -10.559
  154    HB2  ALA  23           2HB      ALA  23   8.399 -15.643 -12.070
  155    HB3  ALA  23           3HB      ALA  23   8.454 -17.305 -11.480
  156    H    CYS  24           H        CYS  24   8.098 -16.072  -8.069
  157    HA   CYS  24           HA       CYS  24   7.009 -13.742  -7.005
  158    HB2  CYS  24           2HB      CYS  24   8.206 -15.748  -5.862
  159    HB3  CYS  24           1HB      CYS  24   9.664 -14.790  -6.094
  160    HG   CYS  24           HG       CYS  24   8.577 -12.941  -4.576
  161    H    ASN  25           H        ASN  25   7.424 -11.694  -7.268
  162    HA   ASN  25           HA       ASN  25   9.338 -10.707  -9.078
  163    HB2  ASN  25           2HB      ASN  25   7.713  -9.318  -6.940
  164    HB3  ASN  25           1HB      ASN  25   8.699  -8.468  -8.125
  165   HD21  ASN  25          1HD2      ASN  25   5.767 -10.130  -7.520
  166   HD22  ASN  25          2HD2      ASN  25   5.057  -9.911  -9.079
  167    H    GLY  26           H        GLY  26   9.463 -11.374  -5.664
  168    HA2  GLY  26           2HA      GLY  26  11.844  -9.769  -5.271
  169    HA3  GLY  26           1HA      GLY  26  11.008 -10.714  -4.055
  170    H    CYS  27           H        CYS  27  11.109 -13.254  -4.831
  171    HA   CYS  27           HA       CYS  27  13.997 -13.740  -4.980
  172    HB2  CYS  27           2HB      CYS  27  13.593 -15.840  -3.876
  173    HB3  CYS  27           1HB      CYS  27  12.760 -14.569  -2.988
  174    HG   CYS  27           HG       CYS  27  11.167 -16.609  -3.231
  175    H    GLY  28           H        GLY  28  11.400 -13.842  -7.063
  176    HA2  GLY  28           2HA      GLY  28  11.269 -14.670  -9.198
  177    HA3  GLY  28           1HA      GLY  28  12.910 -15.263  -9.007
  178    H    CYS  29           H        CYS  29  10.837 -16.416  -6.565
  179    HA   CYS  29           HA       CYS  29  11.050 -19.084  -7.587
  180    HB2  CYS  29           2HB      CYS  29  10.131 -19.822  -5.564
  181    HB3  CYS  29           1HB      CYS  29  11.014 -18.367  -5.113
  182    HG   CYS  29           HG       CYS  29   8.693 -18.273  -3.975
  183    H    VAL  30           H        VAL  30   9.468 -20.421  -8.384
  184    HA   VAL  30           HA       VAL  30   7.347 -19.078  -9.789
  185    HB   VAL  30           HB       VAL  30   7.416 -22.038  -9.708
  186   HG11  VAL  30          1HG1      VAL  30   5.988 -21.588 -11.357
  187   HG12  VAL  30          2HG1      VAL  30   7.400 -21.157 -12.321
  188   HG13  VAL  30          3HG1      VAL  30   6.507 -19.907 -11.455
  189   HG21  VAL  30          1HG2      VAL  30   9.255 -22.021 -11.423
  190   HG22  VAL  30          2HG2      VAL  30   9.766 -21.654  -9.776
  191   HG23  VAL  30          3HG2      VAL  30   9.583 -20.354 -10.954
  192    H    PHE  31           H        PHE  31   5.219 -19.119  -9.421
  193    HA   PHE  31           HA       PHE  31   4.308 -20.017  -6.826
  194    HB2  PHE  31           2HB      PHE  31   2.844 -18.585  -9.055
  195    HB3  PHE  31           1HB      PHE  31   2.179 -18.914  -7.457
  196    HD1  PHE  31           2HD      PHE  31   3.435 -17.958  -5.444
  197    HD2  PHE  31           1HD      PHE  31   4.052 -16.639  -9.443
  198    HE1  PHE  31           2HE      PHE  31   4.425 -15.869  -4.599
  199    HE2  PHE  31           1HE      PHE  31   5.045 -14.550  -8.605
  200    HZ   PHE  31           HZ       PHE  31   5.234 -14.163  -6.179
  201    H    THR  32           H        THR  32   3.052 -21.695  -6.407
  202    HA   THR  32           HA       THR  32   2.019 -23.290  -8.656
  203    HB   THR  32           HB       THR  32   2.700 -25.332  -7.610
  204    HG1  THR  32           1HG      THR  32   3.828 -25.289  -5.619
  205   HG21  THR  32          1HG2      THR  32   5.237 -24.110  -7.017
  206   HG22  THR  32          2HG2      THR  32   4.559 -23.490  -8.522
  207   HG23  THR  32          3HG2      THR  32   4.794 -25.225  -8.309
  208    H    THR  33           H        THR  33   0.423 -24.989  -7.856
  209    HA   THR  33           HA       THR  33  -1.851 -23.825  -6.857
  210    HB   THR  33           HB       THR  33  -1.054 -26.718  -6.511
  211    HG1  THR  33           1HG      THR  33  -0.889 -26.260  -8.654
  212   HG21  THR  33          1HG2      THR  33  -3.836 -25.908  -7.081
  213   HG22  THR  33          2HG2      THR  33  -3.235 -25.659  -5.442
  214   HG23  THR  33          3HG2      THR  33  -3.212 -27.272  -6.154
  215    H    THR  34           H        THR  34   0.616 -25.588  -4.981
  216    HA   THR  34           HA       THR  34  -0.780 -25.374  -2.540
  217    HB   THR  34           HB       THR  34   2.205 -25.676  -2.960
  218    HG1  THR  34           1HG      THR  34   1.737 -27.607  -3.580
  219   HG21  THR  34          1HG2      THR  34   1.903 -27.025  -0.772
  220   HG22  THR  34          2HG2      THR  34   0.464 -26.026  -0.566
  221   HG23  THR  34          3HG2      THR  34   2.049 -25.269  -0.701
  222    H    VAL  35           H        VAL  35   1.518 -23.231  -4.155
  223    HA   VAL  35           HA       VAL  35   1.550 -21.452  -1.855
  224    HB   VAL  35           HB       VAL  35   2.851 -21.181  -4.558
  225   HG11  VAL  35          1HG1      VAL  35   2.715 -18.993  -3.919
  226   HG12  VAL  35          2HG1      VAL  35   4.207 -19.455  -3.099
  227   HG13  VAL  35          3HG1      VAL  35   2.692 -19.384  -2.199
  228   HG21  VAL  35          1HG2      VAL  35   4.781 -21.347  -2.561
  229   HG22  VAL  35          2HG2      VAL  35   4.361 -22.595  -3.735
  230   HG23  VAL  35          3HG2      VAL  35   3.593 -22.583  -2.146
  231    H    ARG  36           H        ARG  36  -0.046 -20.142  -1.558
  232    HA   ARG  36           HA       ARG  36  -1.852 -19.289  -3.628
  233    HB2  ARG  36           2HB      ARG  36  -1.579 -18.436  -0.739
  234    HB3  ARG  36           1HB      ARG  36  -2.879 -17.932  -1.811
  235    HG2  ARG  36           2HG      ARG  36  -2.289 -20.790  -1.060
  236    HG3  ARG  36           1HG      ARG  36  -3.517 -19.773  -0.297
  237    HD2  ARG  36           2HD      ARG  36  -4.578 -19.482  -2.518
  238    HD3  ARG  36           1HD      ARG  36  -3.406 -20.613  -3.191
  239    HE   ARG  36           HE       ARG  36  -4.558 -22.352  -2.217
  240   HH11  ARG  36          1HH1      ARG  36  -5.737 -19.313  -0.991
  241   HH12  ARG  36          2HH1      ARG  36  -7.119 -20.012  -0.217
  242   HH21  ARG  36          1HH2      ARG  36  -6.373 -23.286  -1.194
  243   HH22  ARG  36          2HH2      ARG  36  -7.481 -22.271  -0.336
  244    H    ARG  37           H        ARG  37  -2.165 -17.198  -4.406
  245    HA   ARG  37           HA       ARG  37   0.272 -15.686  -4.687
  246    HB2  ARG  37           2HB      ARG  37  -1.285 -15.992  -6.583
  247    HB3  ARG  37           1HB      ARG  37  -2.500 -15.061  -5.717
  248    HG2  ARG  37           2HG      ARG  37  -1.065 -13.100  -5.766
  249    HG3  ARG  37           1HG      ARG  37   0.187 -14.028  -6.590
  250    HD2  ARG  37           2HD      ARG  37  -0.975 -12.747  -8.232
  251    HD3  ARG  37           1HD      ARG  37  -1.431 -14.436  -8.437
  252    HE   ARG  37           HE       ARG  37  -3.129 -12.262  -7.529
  253   HH11  ARG  37          1HH1      ARG  37  -2.717 -15.701  -7.923
  254   HH12  ARG  37          2HH1      ARG  37  -4.414 -16.038  -7.881
  255   HH21  ARG  37          1HH2      ARG  37  -5.369 -12.703  -7.472
  256   HH22  ARG  37          2HH2      ARG  37  -5.919 -14.337  -7.630
  257    H    HIS  38           H        HIS  38   0.733 -13.668  -3.913
  258    HA   HIS  38           HA       HIS  38  -1.240 -12.346  -2.215
  259    HB2  HIS  38           2HB      HIS  38   1.551 -13.078  -1.308
  260    HB3  HIS  38           1HB      HIS  38   0.461 -12.009  -0.434
  261    HD1  HIS  38           1HD      HIS  38  -2.003 -13.305   0.044
  262    HD2  HIS  38           2HD      HIS  38   1.434 -15.601  -0.371
  263    HE1  HIS  38           1HE      HIS  38  -2.535 -15.511   1.126
  264    HE2  HIS  38           2HE      HIS  38  -0.402 -16.843   0.962
  265    H    HIS  39           H        HIS  39  -0.621 -10.126  -1.658
  266    HA   HIS  39           HA       HIS  39   1.243  -8.959  -3.626
  267    HB2  HIS  39           2HB      HIS  39  -1.409  -7.794  -2.762
  268    HB3  HIS  39           1HB      HIS  39  -0.282  -7.070  -3.904
  269    HD1  HIS  39           1HD      HIS  39   0.222  -8.823  -6.049
  270    HD2  HIS  39           2HD      HIS  39  -3.383  -9.140  -4.004
  271    HE1  HIS  39           1HE      HIS  39  -1.327 -10.048  -7.605
  272    HE2  HIS  39           2HE      HIS  39  -3.484 -10.286  -6.321
  273    H    CYS  40           H        CYS  40   2.427  -7.154  -2.988
  274    HA   CYS  40           HA       CYS  40   2.641  -6.749  -0.104
  275    HB2  CYS  40           2HB      CYS  40   4.733  -7.149  -1.259
  276    HB3  CYS  40           1HB      CYS  40   4.359  -5.914  -2.456
  277    HG   CYS  40           HG       CYS  40   4.686  -4.910   0.431
  278    H    ARG  41           H        ARG  41   2.096  -4.854   0.868
  279    HA   ARG  41           HA       ARG  41   0.267  -3.154  -0.472
  280    HB2  ARG  41           2HB      ARG  41   1.556  -2.847   2.242
  281    HB3  ARG  41           1HB      ARG  41   0.157  -1.948   1.669
  282    HG2  ARG  41           2HG      ARG  41   0.257  -4.940   1.998
  283    HG3  ARG  41           1HG      ARG  41  -0.434  -3.812   3.167
  284    HD2  ARG  41           2HD      ARG  41  -1.997  -3.028   1.408
  285    HD3  ARG  41           1HD      ARG  41  -1.355  -4.268   0.333
  286    HE   ARG  41           HE       ARG  41  -2.663  -5.794   1.410
  287   HH11  ARG  41          1HH1      ARG  41  -2.250  -3.023   3.474
  288   HH12  ARG  41          2HH1      ARG  41  -3.350  -3.595   4.684
  289   HH21  ARG  41          1HH2      ARG  41  -4.117  -6.558   2.994
  290   HH22  ARG  41          2HH2      ARG  41  -4.409  -5.607   4.410
  291    H    ASN  42           H        ASN  42   3.601  -3.098  -0.507
  292    HA   ASN  42           HA       ASN  42   3.757  -0.181  -0.731
  293    HB2  ASN  42           2HB      ASN  42   5.841  -2.324  -0.373
  294    HB3  ASN  42           1HB      ASN  42   6.269  -0.676  -0.809
  295   HD21  ASN  42          1HD2      ASN  42   6.199  -2.677   1.669
  296   HD22  ASN  42          2HD2      ASN  42   5.875  -1.587   2.967
  297    H    CYS  43           H        CYS  43   5.456  -2.817  -2.414
  298    HA   CYS  43           HA       CYS  43   5.651  -1.236  -4.782
  299    HB2  CYS  43           2HB      CYS  43   6.814  -3.156  -5.741
  300    HB3  CYS  43           1HB      CYS  43   7.427  -2.790  -4.134
  301    HG   CYS  43           HG       CYS  43   6.955  -5.419  -4.622
  302    H    GLY  44           H        GLY  44   3.402  -3.599  -3.630
  303    HA2  GLY  44           2HA      GLY  44   1.357  -4.209  -4.516
  304    HA3  GLY  44           1HA      GLY  44   1.649  -3.083  -5.831
  305    H    TYR  45           H        TYR  45   4.048  -5.456  -5.198
  306    HA   TYR  45           HA       TYR  45   3.349  -6.813  -7.697
  307    HB2  TYR  45           2HB      TYR  45   5.907  -6.914  -6.090
  308    HB3  TYR  45           1HB      TYR  45   5.640  -7.708  -7.635
  309    HD1  TYR  45           2HD      TYR  45   4.279  -5.632  -9.188
  310    HD2  TYR  45           1HD      TYR  45   7.539  -5.307  -6.476
  311    HE1  TYR  45           2HE      TYR  45   5.047  -3.613 -10.366
  312    HE2  TYR  45           1HE      TYR  45   8.318  -3.288  -7.644
  313    HH   TYR  45           HH       TYR  45   6.509  -1.501  -9.633
  314    H    VAL  46           H        VAL  46   3.678  -9.146  -7.791
  315    HA   VAL  46           HA       VAL  46   2.272 -10.380  -5.615
  316    HB   VAL  46           HB       VAL  46   3.410 -11.635  -8.115
  317   HG11  VAL  46          1HG1      VAL  46   3.187 -13.306  -6.395
  318   HG12  VAL  46          2HG1      VAL  46   1.885 -13.513  -7.569
  319   HG13  VAL  46          3HG1      VAL  46   1.558 -12.750  -6.013
  320   HG21  VAL  46          1HG2      VAL  46   0.813 -10.348  -7.441
  321   HG22  VAL  46          2HG2      VAL  46   0.803 -11.741  -8.523
  322   HG23  VAL  46          3HG2      VAL  46   1.737 -10.305  -8.941
  323    H    LEU  47           H        LEU  47   3.066 -11.510  -3.970
  324    HA   LEU  47           HA       LEU  47   5.835 -12.491  -4.112
  325    HB2  LEU  47           2HB      LEU  47   4.545 -10.998  -1.826
  326    HB3  LEU  47           1HB      LEU  47   6.029 -11.912  -1.667
  327    HG   LEU  47           HG       LEU  47   6.367  -9.474  -1.871
  328   HD11  LEU  47          1HD1      LEU  47   7.945  -9.757  -3.979
  329   HD12  LEU  47          2HD1      LEU  47   7.566 -11.456  -3.707
  330   HD13  LEU  47          3HD1      LEU  47   8.305 -10.501  -2.422
  331   HD21  LEU  47          1HD2      LEU  47   5.905  -9.480  -4.763
  332   HD22  LEU  47          2HD2      LEU  47   5.615  -8.219  -3.563
  333   HD23  LEU  47          3HD2      LEU  47   4.450  -9.527  -3.770
  334    H    CYS  48           H        CYS  48   6.168 -14.468  -3.175
  335    HA   CYS  48           HA       CYS  48   3.827 -16.017  -2.509
  336    HB2  CYS  48           2HB      CYS  48   5.209 -17.906  -2.580
  337    HB3  CYS  48           1HB      CYS  48   5.971 -16.831  -3.747
  338    HG   CYS  48           HG       CYS  48   7.766 -17.896  -2.138
  339    H    GLY  49           H        GLY  49   4.309 -17.571  -0.399
  340    HA2  GLY  49           2HA      GLY  49   3.919 -15.916   1.803
  341    HA3  GLY  49           1HA      GLY  49   4.392 -17.606   1.896
  342    H    ASP  50           H        ASP  50   6.854 -17.732   0.945
  343    HA   ASP  50           HA       ASP  50   8.481 -16.844   3.010
  344    HB2  ASP  50           2HB      ASP  50   9.115 -17.766   0.217
  345    HB3  ASP  50           1HB      ASP  50  10.379 -17.327   1.357
  346    H    CYS  51           H        CYS  51   7.778 -15.260  -0.036
  347    HA   CYS  51           HA       CYS  51   9.733 -13.181   0.510
  348    HB2  CYS  51           2HB      CYS  51   8.066 -13.948  -1.821
  349    HB3  CYS  51           1HB      CYS  51   8.482 -12.244  -1.670
  350    HG   CYS  51           HG       CYS  51  10.583 -14.515  -1.997
  351    H    SER  52           H        SER  52   6.706 -13.823   1.582
  352    HA   SER  52           HA       SER  52   6.163 -10.981   2.053
  353    HB2  SER  52           2HB      SER  52   3.820 -11.260   1.667
  354    HB3  SER  52           1HB      SER  52   4.637 -11.980   0.278
  355    HG   SER  52           HG       SER  52   4.065 -13.942   0.932
  356    H    ARG  53           H        ARG  53   7.466 -13.159   3.598
  357    HA   ARG  53           HA       ARG  53   5.588 -13.805   5.694
  358    HB2  ARG  53           2HB      ARG  53   8.533 -14.350   5.339
  359    HB3  ARG  53           1HB      ARG  53   7.697 -14.712   6.845
  360    HG2  ARG  53           2HG      ARG  53   6.115 -16.126   5.490
  361    HG3  ARG  53           1HG      ARG  53   7.217 -15.903   4.133
  362    HD2  ARG  53           2HD      ARG  53   9.043 -16.841   5.514
  363    HD3  ARG  53           1HD      ARG  53   7.868 -17.163   6.789
  364    HE   ARG  53           HE       ARG  53   8.322 -18.726   4.460
  365   HH11  ARG  53          1HH1      ARG  53   5.818 -17.667   6.645
  366   HH12  ARG  53          2HH1      ARG  53   4.796 -19.030   6.336
  367   HH21  ARG  53          1HH2      ARG  53   6.979 -20.524   4.055
  368   HH22  ARG  53          2HH2      ARG  53   5.458 -20.655   4.875
  369    H    HIS  54           H        HIS  54   7.672 -11.179   4.966
  370    HA   HIS  54           HA       HIS  54   8.047 -10.409   7.724
  371    HB2  HIS  54           2HB      HIS  54   8.755  -9.090   5.106
  372    HB3  HIS  54           1HB      HIS  54   9.019  -8.309   6.656
  373    HD1  HIS  54           1HD      HIS  54  10.523  -9.970   8.362
  374    HD2  HIS  54           2HD      HIS  54  10.935 -10.418   4.256
  375    HE1  HIS  54           1HE      HIS  54  12.736 -11.116   8.033
  376    HE2  HIS  54           2HE      HIS  54  12.997 -11.315   5.535
  377    H    ARG  55           H        ARG  55   7.498  -8.140   8.351
  378    HA   ARG  55           HA       ARG  55   5.064  -7.120   7.123
  379    HB2  ARG  55           2HB      ARG  55   5.078  -7.453  10.101
  380    HB3  ARG  55           1HB      ARG  55   3.715  -7.240   9.002
  381    HG2  ARG  55           2HG      ARG  55   4.170  -9.504   8.091
  382    HG3  ARG  55           1HG      ARG  55   5.389  -9.713   9.350
  383    HD2  ARG  55           2HD      ARG  55   3.602  -9.253  11.036
  384    HD3  ARG  55           1HD      ARG  55   2.431  -9.283   9.719
  385    HE   ARG  55           HE       ARG  55   2.691 -11.578   9.551
  386   HH11  ARG  55          1HH1      ARG  55   4.972 -10.251  11.828
  387   HH12  ARG  55          2HH1      ARG  55   5.398 -11.792  12.493
  388   HH21  ARG  55          1HH2      ARG  55   3.259 -13.610  10.416
  389   HH22  ARG  55          2HH2      ARG  55   4.423 -13.699  11.695
  390    H    ALA  56           H        ALA  56   4.816  -4.957   7.324
  391    HA   ALA  56           HA       ALA  56   6.354  -3.400   9.214
  392    HB1  ALA  56           1HB      ALA  56   7.204  -2.118   6.956
  393    HB2  ALA  56           2HB      ALA  56   7.326  -3.815   6.491
  394    HB3  ALA  56           3HB      ALA  56   8.171  -3.230   7.923
  395    H    ALA  57           H        ALA  57   5.813  -1.146   9.225
  396    HA   ALA  57           HA       ALA  57   3.147  -0.650   8.164
  397    HB1  ALA  57           1HB      ALA  57   3.206   0.063  10.366
  398    HB2  ALA  57           2HB      ALA  57   3.560   1.561   9.506
  399    HB3  ALA  57           3HB      ALA  57   4.868   0.639  10.244
  400    H    ILE  58           H        ILE  58   2.693   1.178   6.829
  401    HA   ILE  58           HA       ILE  58   5.055   2.309   5.499
  402    HB   ILE  58           HB       ILE  58   2.483   1.844   4.037
  403   HG12  ILE  58          2HG1      ILE  58   4.720  -0.182   4.292
  404   HG13  ILE  58          1HG1      ILE  58   3.161  -0.311   5.102
  405   HG21  ILE  58          1HG2      ILE  58   4.267   3.256   3.071
  406   HG22  ILE  58          2HG2      ILE  58   3.928   1.821   2.105
  407   HG23  ILE  58          3HG2      ILE  58   5.359   1.875   3.133
  408   HD11  ILE  58          1HD1      ILE  58   3.750  -1.458   2.741
  409   HD12  ILE  58          2HD1      ILE  58   3.035   0.058   2.192
  410   HD13  ILE  58          3HD1      ILE  58   2.120  -1.018   3.249
  411    HA   PRO  59           HA       PRO  59   2.482   5.713   7.252
  412    HB2  PRO  59           2HB      PRO  59   4.608   7.313   7.834
  413    HB3  PRO  59           1HB      PRO  59   3.983   6.072   8.922
  414    HG2  PRO  59           2HG      PRO  59   6.322   5.951   7.061
  415    HG3  PRO  59           1HG      PRO  59   6.178   5.348   8.722
  416    HD2  PRO  59           2HD      PRO  59   5.981   3.725   6.569
  417    HD3  PRO  59           1HD      PRO  59   5.070   3.434   8.065
  418    H    MET  60           H        MET  60   4.615   5.510   4.538
  419    HA   MET  60           HA       MET  60   4.115   8.255   3.716
  420    HB2  MET  60           2HB      MET  60   5.509   5.933   2.366
  421    HB3  MET  60           1HB      MET  60   5.354   7.537   1.662
  422    HG2  MET  60           2HG      MET  60   6.579   8.450   3.619
  423    HG3  MET  60           1HG      MET  60   6.836   6.796   4.173
  424    HE1  MET  60           1HE      MET  60   7.414   5.407   1.025
  425    HE2  MET  60           2HE      MET  60   7.816   4.985   2.690
  426    HE3  MET  60           3HE      MET  60   9.102   5.248   1.512
  427    H    ARG  61           H        ARG  61   3.137   4.987   3.011
  428    HA   ARG  61           HA       ARG  61   1.368   5.738   0.849
  429    HB2  ARG  61           2HB      ARG  61   1.588   3.092   2.284
  430    HB3  ARG  61           1HB      ARG  61   0.840   3.387   0.719
  431    HG2  ARG  61           2HG      ARG  61   3.765   3.722   1.351
  432    HG3  ARG  61           1HG      ARG  61   3.044   2.355   0.500
  433    HD2  ARG  61           2HD      ARG  61   2.872   5.212  -0.433
  434    HD3  ARG  61           1HD      ARG  61   4.105   4.071  -0.971
  435    HE   ARG  61           HE       ARG  61   1.618   2.890  -1.393
  436   HH11  ARG  61          1HH1      ARG  61   3.452   5.621  -2.537
  437   HH12  ARG  61          2HH1      ARG  61   2.717   5.623  -4.105
  438   HH21  ARG  61          1HH2      ARG  61   0.646   2.877  -3.454
  439   HH22  ARG  61          2HH2      ARG  61   1.125   4.055  -4.630
  440    H    GLY  62           H        GLY  62   1.174   6.139   4.059
  441    HA2  GLY  62           2HA      GLY  62  -0.731   7.013   5.165
  442    HA3  GLY  62           1HA      GLY  62  -1.753   6.197   3.992
  443    H    ILE  63           H        ILE  63   0.665   4.139   5.090
  444    HA   ILE  63           HA       ILE  63  -1.251   2.760   6.820
  445    HB   ILE  63           HB       ILE  63   1.349   1.794   5.614
  446   HG12  ILE  63          2HG1      ILE  63  -1.478   1.094   4.813
  447   HG13  ILE  63          1HG1      ILE  63  -0.508   2.317   4.000
  448   HG21  ILE  63          1HG2      ILE  63  -0.799   0.313   7.122
  449   HG22  ILE  63          2HG2      ILE  63   0.875   0.563   7.619
  450   HG23  ILE  63          3HG2      ILE  63   0.513  -0.460   6.227
  451   HD11  ILE  63          1HD1      ILE  63  -0.646  -0.112   3.069
  452   HD12  ILE  63          2HD1      ILE  63   0.583  -0.435   4.293
  453   HD13  ILE  63          3HD1      ILE  63   0.880   0.773   3.041
  454    H    THR  64           H        THR  64  -1.074   3.610   8.838
  455    HA   THR  64           HA       THR  64   1.537   4.241   9.942
  456    HB   THR  64           HB       THR  64   0.238   5.064  11.898
  457    HG1  THR  64           1HG      THR  64  -2.107   4.752  10.407
  458   HG21  THR  64          1HG2      THR  64   0.551   6.310   9.528
  459   HG22  THR  64          2HG2      THR  64  -0.200   7.041  10.947
  460   HG23  THR  64          3HG2      THR  64  -1.206   6.332   9.683
  461    H    GLU  65           H        GLU  65  -0.631   1.609   9.961
  462    HA   GLU  65           HA       GLU  65   0.605   0.497  12.385
  463    HB2  GLU  65           2HB      GLU  65  -1.929  -0.121  10.886
  464    HB3  GLU  65           1HB      GLU  65  -1.219  -1.310  11.969
  465    HG2  GLU  65           2HG      GLU  65  -1.985  -0.268  13.774
  466    HG3  GLU  65           1HG      GLU  65  -1.425   1.303  13.202
  467    HA   PRO  66           HA       PRO  66   3.264  -2.008   9.950
  468    HB2  PRO  66           2HB      PRO  66   2.704  -4.194  11.895
  469    HB3  PRO  66           1HB      PRO  66   4.252  -3.503  11.402
  470    HG2  PRO  66           2HG      PRO  66   3.183  -2.943  13.792
  471    HG3  PRO  66           1HG      PRO  66   4.078  -1.720  12.870
  472    HD2  PRO  66           2HD      PRO  66   1.132  -2.023  13.258
  473    HD3  PRO  66           1HD      PRO  66   2.109  -0.547  13.127
  474    H    GLU  67           H        GLU  67   2.711  -2.877   8.097
  475    HA   GLU  67           HA       GLU  67   0.533  -4.858   8.017
  476    HB2  GLU  67           2HB      GLU  67   1.216  -2.767   5.942
  477    HB3  GLU  67           1HB      GLU  67  -0.014  -4.005   5.755
  478    HG2  GLU  67           2HG      GLU  67  -0.017  -1.815   7.812
  479    HG3  GLU  67           1HG      GLU  67  -0.990  -1.863   6.345
  480    H    ARG  68           H        ARG  68   0.657  -6.271   6.040
  481    HA   ARG  68           HA       ARG  68   3.219  -7.497   5.954
  482    HB2  ARG  68           2HB      ARG  68   0.794  -8.011   4.232
  483    HB3  ARG  68           1HB      ARG  68   2.198  -9.058   4.386
  484    HG2  ARG  68           2HG      ARG  68   1.697  -9.291   6.804
  485    HG3  ARG  68           1HG      ARG  68   0.211  -8.379   6.535
  486    HD2  ARG  68           2HD      ARG  68   0.959 -11.023   5.293
  487    HD3  ARG  68           1HD      ARG  68  -0.269 -10.748   6.526
  488    HE   ARG  68           HE       ARG  68  -1.679  -9.852   4.905
  489   HH11  ARG  68          1HH1      ARG  68   1.437 -10.641   3.549
  490   HH12  ARG  68          2HH1      ARG  68   0.887 -10.550   1.911
  491   HH21  ARG  68          1HH2      ARG  68  -2.405  -9.729   2.753
  492   HH22  ARG  68          2HH2      ARG  68  -1.294 -10.025   1.457
  493    H    VAL  69           H        VAL  69   4.746  -7.524   4.443
  494    HA   VAL  69           HA       VAL  69   4.404  -6.157   1.885
  495    HB   VAL  69           HB       VAL  69   6.481  -4.871   2.160
  496   HG11  VAL  69          1HG1      VAL  69   4.553  -3.591   2.452
  497   HG12  VAL  69          2HG1      VAL  69   5.533  -3.218   3.872
  498   HG13  VAL  69          3HG1      VAL  69   4.180  -4.340   4.007
  499   HG21  VAL  69          1HG2      VAL  69   6.413  -6.119   4.872
  500   HG22  VAL  69          2HG2      VAL  69   7.121  -4.515   4.674
  501   HG23  VAL  69          3HG2      VAL  69   7.775  -5.885   3.773
  502    H    CYS  70           H        CYS  70   6.753  -6.266   0.794
  503    HA   CYS  70           HA       CYS  70   7.516  -9.083   0.922
  504    HB2  CYS  70           2HB      CYS  70   8.220  -8.935  -1.279
  505    HB3  CYS  70           1HB      CYS  70   6.897  -7.779  -1.264
  506    HG   CYS  70           HG       CYS  70   9.561  -7.112  -2.174
  507    H    ASP  71           H        ASP  71  10.118  -8.851  -0.134
  508    HA   ASP  71           HA       ASP  71  11.484  -8.076   2.293
  509    HB2  ASP  71           2HB      ASP  71  12.568  -9.243  -0.281
  510    HB3  ASP  71           1HB      ASP  71  13.499  -9.009   1.195
  511    H    ALA  72           H        ALA  72  11.520  -6.941  -1.076
  512    HA   ALA  72           HA       ALA  72  13.562  -5.020  -0.667
  513    HB1  ALA  72           1HB      ALA  72  13.135  -4.286  -2.828
  514    HB2  ALA  72           2HB      ALA  72  11.422  -4.698  -2.734
  515    HB3  ALA  72           3HB      ALA  72  12.630  -5.975  -2.873
  516    H    CYS  73           H        CYS  73  10.027  -4.744  -0.644
  517    HA   CYS  73           HA       CYS  73   9.927  -1.970  -0.175
  518    HB2  CYS  73           2HB      CYS  73   7.882  -4.040   0.662
  519    HB3  CYS  73           1HB      CYS  73   7.605  -2.318   0.406
  520    HG   CYS  73           HG       CYS  73   8.286  -2.904  -2.189
  521    H    TYR  74           H        TYR  74  10.035  -4.757   1.990
  522    HA   TYR  74           HA       TYR  74   9.607  -3.402   4.399
  523    HB2  TYR  74           2HB      TYR  74   9.675  -5.864   4.234
  524    HB3  TYR  74           1HB      TYR  74  11.400  -5.792   3.888
  525    HD1  TYR  74           2HD      TYR  74   8.844  -5.190   6.493
  526    HD2  TYR  74           1HD      TYR  74  12.993  -5.579   5.632
  527    HE1  TYR  74           2HE      TYR  74   9.327  -5.289   8.901
  528    HE2  TYR  74           1HE      TYR  74  13.488  -5.680   8.039
  529    HH   TYR  74           HH       TYR  74  10.932  -5.277  10.459
  530    H    LEU  75           H        LEU  75  12.494  -3.886   2.455
  531    HA   LEU  75           HA       LEU  75  14.299  -2.645   4.280
  532    HB2  LEU  75           2HB      LEU  75  14.405  -3.597   1.469
  533    HB3  LEU  75           1HB      LEU  75  15.636  -2.469   1.998
  534    HG   LEU  75           HG       LEU  75  15.071  -4.981   3.544
  535   HD11  LEU  75          1HD1      LEU  75  15.750  -5.121   0.931
  536   HD12  LEU  75          2HD1      LEU  75  16.238  -6.302   2.146
  537   HD13  LEU  75          3HD1      LEU  75  17.344  -5.009   1.680
  538   HD21  LEU  75          1HD2      LEU  75  17.791  -4.256   3.518
  539   HD22  LEU  75          2HD2      LEU  75  16.649  -4.139   4.857
  540   HD23  LEU  75          3HD2      LEU  75  16.874  -2.770   3.769
  541    H    ALA  76           H        ALA  76  12.878  -1.514   1.199
  542    HA   ALA  76           HA       ALA  76  14.056   0.957   1.088
  543    HB1  ALA  76           1HB      ALA  76  11.176   0.810   0.343
  544    HB2  ALA  76           2HB      ALA  76  12.316  -0.239  -0.500
  545    HB3  ALA  76           3HB      ALA  76  12.538   1.509  -0.537
  546    H    LEU  77           H        LEU  77  11.010   0.151   2.740
  547    HA   LEU  77           HA       LEU  77  10.621   2.753   3.805
  548    HB2  LEU  77           2HB      LEU  77   9.667   0.079   4.842
  549    HB3  LEU  77           1HB      LEU  77   9.079   1.635   5.386
  550    HG   LEU  77           HG       LEU  77   8.838   0.697   2.532
  551   HD11  LEU  77          1HD1      LEU  77   6.445   0.265   3.148
  552   HD12  LEU  77          2HD1      LEU  77   6.935   0.374   4.838
  553   HD13  LEU  77          3HD1      LEU  77   7.615  -0.882   3.802
  554   HD21  LEU  77          1HD2      LEU  77   7.459   2.889   4.084
  555   HD22  LEU  77          2HD2      LEU  77   7.086   2.426   2.423
  556   HD23  LEU  77          3HD2      LEU  77   8.667   3.104   2.817
  557    H    ARG  78           H        ARG  78  12.158  -0.170   4.922
  558    HA   ARG  78           HA       ARG  78  12.871   0.500   7.510
  559    HB2  ARG  78           2HB      ARG  78  13.053  -1.741   6.627
  560    HB3  ARG  78           1HB      ARG  78  14.265  -1.228   5.467
  561    HG2  ARG  78           2HG      ARG  78  15.726  -0.642   7.432
  562    HG3  ARG  78           1HG      ARG  78  14.539  -1.477   8.437
  563    HD2  ARG  78           2HD      ARG  78  14.843  -3.504   7.062
  564    HD3  ARG  78           1HD      ARG  78  16.087  -2.663   6.140
  565    HE   ARG  78           HE       ARG  78  16.989  -2.453   8.667
  566   HH11  ARG  78          1HH1      ARG  78  15.851  -5.153   6.784
  567   HH12  ARG  78          2HH1      ARG  78  16.870  -6.306   7.580
  568   HH21  ARG  78          1HH2      ARG  78  18.332  -3.958   9.724
  569   HH22  ARG  78          2HH2      ARG  78  18.283  -5.625   9.254
  570    H    SER  79           H        SER  79  14.150   1.707   4.520
  571    HA   SER  79           HA       SER  79  16.532   2.724   5.906
  572    HB2  SER  79           2HB      SER  79  17.503   3.092   3.724
  573    HB3  SER  79           1HB      SER  79  16.854   1.452   3.776
  574    HG   SER  79           HG       SER  79  16.263   2.500   1.851
  575    H    SER  80           H        SER  80  17.159   4.934   5.626
  576    HA   SER  80           HA       SER  80  14.987   6.748   4.835
  577    HB2  SER  80           2HB      SER  80  15.331   8.135   6.768
  578    HB3  SER  80           1HB      SER  80  15.109   6.481   7.338
  579    HG   SER  80           HG       SER  80  17.525   6.422   7.247
  580    H    ASN  81           H        ASN  81  15.685   8.875   4.202
  581    HA   ASN  81           HA       ASN  81  18.336   8.818   2.982
  582    HB2  ASN  81           2HB      ASN  81  16.008  10.716   2.616
  583    HB3  ASN  81           1HB      ASN  81  17.536  10.831   1.750
  584   HD21  ASN  81          1HD2      ASN  81  15.089  10.568   0.471
  585   HD22  ASN  81          2HD2      ASN  81  15.037   9.037  -0.324
  586    H    MET  82           H        MET  82  19.952  10.263   3.419
  587    HA   MET  82           HA       MET  82  20.114  11.378   5.980
  588    HB2  MET  82           2HB      MET  82  21.714  11.984   3.489
  589    HB3  MET  82           1HB      MET  82  22.130  12.568   5.094
  590    HG2  MET  82           2HG      MET  82  22.284  10.208   5.848
  591    HG3  MET  82           1HG      MET  82  22.025   9.707   4.178
  592    HE1  MET  82           1HE      MET  82  24.968  10.701   2.240
  593    HE2  MET  82           2HE      MET  82  24.268  12.247   2.719
  594    HE3  MET  82           3HE      MET  82  23.216  10.887   2.325
  595    H    ALA  83           H        ALA  83  19.093  12.731   2.914
  596    HA   ALA  83           HA       ALA  83  19.118  15.452   3.614
  597    HB1  ALA  83           1HB      ALA  83  18.426  13.948   1.371
  598    HB2  ALA  83           2HB      ALA  83  18.441  15.706   1.508
  599    HB3  ALA  83           3HB      ALA  83  16.954  14.811   1.817
  600    H    GLY  84           H        GLY  84  16.939  12.876   4.409
  601    HA2  GLY  84           2HA      GLY  84  14.806  14.665   5.230
  602    HA3  GLY  84           1HA      GLY  84  14.809  12.912   5.367
  Start of MODEL   17
    1    H1   GLY   1           1HT      GLY   1 -10.364  15.121  -7.530
    2    H2   GLY   1           2HT      GLY   1 -11.604  16.140  -8.067
    3    H3   GLY   1           3HT      GLY   1 -11.013  14.921  -9.080
    4    HA2  GLY   1           1HA      GLY   1 -12.988  14.784  -6.993
    5    HA3  GLY   1           2HA      GLY   1 -12.741  13.725  -8.372
    6    HA   PRO   2           HA       PRO   2  -9.606  12.133  -4.989
    7    HB2  PRO   2           2HB      PRO   2 -10.085  13.170  -2.480
    8    HB3  PRO   2           1HB      PRO   2  -8.836  13.760  -3.581
    9    HG2  PRO   2           2HG      PRO   2 -11.578  14.842  -3.068
   10    HG3  PRO   2           1HG      PRO   2 -10.050  15.717  -3.288
   11    HD2  PRO   2           2HD      PRO   2 -11.849  15.533  -5.266
   12    HD3  PRO   2           1HD      PRO   2 -10.105  15.484  -5.596
   13    H    LEU   3           H        LEU   3 -10.039  10.262  -3.872
   14    HA   LEU   3           HA       LEU   3 -12.837   9.586  -3.536
   15    HB2  LEU   3           2HB      LEU   3 -10.386   7.887  -3.070
   16    HB3  LEU   3           1HB      LEU   3 -12.043   7.317  -3.153
   17    HG   LEU   3           HG       LEU   3 -10.376   8.431  -5.403
   18   HD11  LEU   3          1HD1      LEU   3 -11.421   6.058  -6.218
   19   HD12  LEU   3          2HD1      LEU   3 -11.166   5.760  -4.499
   20   HD13  LEU   3          3HD1      LEU   3  -9.817   6.267  -5.516
   21   HD21  LEU   3          1HD2      LEU   3 -12.409   7.953  -6.801
   22   HD22  LEU   3          2HD2      LEU   3 -12.546   9.344  -5.725
   23   HD23  LEU   3          3HD2      LEU   3 -13.323   7.819  -5.298
   24    H    GLY   4           H        GLY   4 -13.866   9.111  -1.633
   25    HA2  GLY   4           2HA      GLY   4 -12.818  10.324   0.735
   26    HA3  GLY   4           1HA      GLY   4 -14.335   9.445   0.598
   27    H    SER   5           H        SER   5 -12.135   9.414   2.638
   28    HA   SER   5           HA       SER   5 -10.887   6.844   2.441
   29    HB2  SER   5           2HB      SER   5  -9.972   7.296   4.603
   30    HB3  SER   5           1HB      SER   5  -9.970   8.824   3.724
   31    HG   SER   5           HG       SER   5 -10.862   9.366   5.613
   32    H    MET   6           H        MET   6 -14.017   7.752   3.109
   33    HA   MET   6           HA       MET   6 -14.786   6.195   5.272
   34    HB2  MET   6           2HB      MET   6 -16.332   6.850   2.758
   35    HB3  MET   6           1HB      MET   6 -17.043   6.170   4.215
   36    HG2  MET   6           2HG      MET   6 -16.212   8.186   5.449
   37    HG3  MET   6           1HG      MET   6 -15.767   8.869   3.887
   38    HE1  MET   6           1HE      MET   6 -19.225   6.857   4.996
   39    HE2  MET   6           2HE      MET   6 -19.917   8.331   5.675
   40    HE3  MET   6           3HE      MET   6 -18.379   7.718   6.282
   41    H    GLY   7           H        GLY   7 -14.201   5.285   1.927
   42    HA2  GLY   7           2HA      GLY   7 -14.777   2.480   2.664
   43    HA3  GLY   7           1HA      GLY   7 -14.957   3.124   1.039
   44    H    GLU   8           H        GLU   8 -12.795   1.779   3.358
   45    HA   GLU   8           HA       GLU   8 -10.472   2.272   1.666
   46    HB2  GLU   8           2HB      GLU   8 -10.716   0.949   4.372
   47    HB3  GLU   8           1HB      GLU   8  -9.200   1.182   3.509
   48    HG2  GLU   8           2HG      GLU   8  -9.580   3.614   3.557
   49    HG3  GLU   8           1HG      GLU   8 -11.046   3.344   4.496
   50    H    LYS   9           H        LYS   9 -12.866   0.258   1.321
   51    HA   LYS   9           HA       LYS   9 -11.780  -2.328   1.258
   52    HB2  LYS   9           2HB      LYS   9 -14.203  -1.781   0.999
   53    HB3  LYS   9           1HB      LYS   9 -13.858  -1.154  -0.607
   54    HG2  LYS   9           2HG      LYS   9 -13.079  -3.390  -1.284
   55    HG3  LYS   9           1HG      LYS   9 -13.510  -4.000   0.314
   56    HD2  LYS   9           2HD      LYS   9 -15.850  -3.232  -0.109
   57    HD3  LYS   9           1HD      LYS   9 -15.366  -2.839  -1.760
   58    HE2  LYS   9           2HE      LYS   9 -14.529  -5.500  -1.130
   59    HE3  LYS   9           1HE      LYS   9 -16.239  -5.321  -0.740
   60    HZ1  LYS   9           1HZ      LYS   9 -16.577  -4.432  -2.996
   61    HZ2  LYS   9           2HZ      LYS   9 -16.001  -6.024  -3.007
   62    HZ3  LYS   9           3HZ      LYS   9 -14.954  -4.745  -3.354
   63    H    GLN  10           H        GLN  10 -11.212   0.452  -0.599
   64    HA   GLN  10           HA       GLN  10 -10.420  -0.586  -3.074
   65    HB2  GLN  10           2HB      GLN  10 -10.824   1.782  -2.701
   66    HB3  GLN  10           1HB      GLN  10  -9.491   1.861  -1.559
   67    HG2  GLN  10           2HG      GLN  10  -7.914   1.385  -3.358
   68    HG3  GLN  10           1HG      GLN  10  -9.251   1.278  -4.505
   69   HE21  GLN  10          1HE2      GLN  10  -7.294   3.015  -5.071
   70   HE22  GLN  10          2HE2      GLN  10  -7.814   4.643  -4.819
   71    H    SER  11           H        SER  11  -8.540  -1.433  -3.829
   72    HA   SER  11           HA       SER  11  -6.670  -2.483  -1.918
   73    HB2  SER  11           2HB      SER  11  -5.678  -3.642  -3.762
   74    HB3  SER  11           1HB      SER  11  -7.420  -3.669  -4.033
   75    HG   SER  11           HG       SER  11  -7.203  -2.129  -5.589
   76    H    LYS  12           H        LYS  12  -4.327  -2.182  -2.094
   77    HA   LYS  12           HA       LYS  12  -3.681   0.598  -2.819
   78    HB2  LYS  12           2HB      LYS  12  -2.395  -1.230  -0.784
   79    HB3  LYS  12           1HB      LYS  12  -1.805   0.375  -1.194
   80    HG2  LYS  12           2HG      LYS  12  -3.975   1.312  -0.458
   81    HG3  LYS  12           1HG      LYS  12  -4.452  -0.305   0.065
   82    HD2  LYS  12           2HD      LYS  12  -2.481  -0.353   1.565
   83    HD3  LYS  12           1HD      LYS  12  -2.121   1.310   1.093
   84    HE2  LYS  12           2HE      LYS  12  -4.791   0.542   2.226
   85    HE3  LYS  12           1HE      LYS  12  -3.424   0.925   3.272
   86    HZ1  LYS  12           1HZ      LYS  12  -3.846   3.065   2.988
   87    HZ2  LYS  12           2HZ      LYS  12  -5.170   2.696   2.003
   88    HZ3  LYS  12           3HZ      LYS  12  -3.640   2.920   1.314
   89    H    GLY  13           H        GLY  13  -2.169   1.002  -4.313
   90    HA2  GLY  13           2HA      GLY  13  -0.383   0.676  -5.737
   91    HA3  GLY  13           1HA      GLY  13  -0.034  -0.823  -4.888
   92    H    TYR  14           H        TYR  14   0.324  -0.792  -7.550
   93    HA   TYR  14           HA       TYR  14  -2.032  -1.688  -8.944
   94    HB2  TYR  14           2HB      TYR  14  -0.234  -0.458 -10.097
   95    HB3  TYR  14           1HB      TYR  14   0.871  -1.791  -9.784
   96    HD1  TYR  14           1HD      TYR  14  -2.099  -0.732 -11.686
   97    HD2  TYR  14           2HD      TYR  14   0.811  -3.782 -11.113
   98    HE1  TYR  14           1HE      TYR  14  -2.808  -1.794 -13.787
   99    HE2  TYR  14           2HE      TYR  14   0.111  -4.853 -13.212
  100    HH   TYR  14           HH       TYR  14  -2.743  -4.010 -14.846
  101    H    TRP  15           H        TRP  15  -2.800  -3.691  -8.897
  102    HA   TRP  15           HA       TRP  15  -1.241  -5.825  -7.682
  103    HB2  TRP  15           2HB      TRP  15  -3.337  -7.131  -7.837
  104    HB3  TRP  15           1HB      TRP  15  -3.569  -5.588  -7.018
  105    HD1  TRP  15           HD       TRP  15  -4.841  -3.639  -8.453
  106    HE1  TRP  15           1HE      TRP  15  -6.617  -3.838 -10.305
  107    HE3  TRP  15           3HE      TRP  15  -4.130  -8.539  -9.744
  108    HZ2  TRP  15           2HZ      TRP  15  -7.589  -5.806 -12.073
  109    HZ3  TRP  15           3HZ      TRP  15  -5.528  -9.502 -11.526
  110    HH2  TRP  15           HH       TRP  15  -7.221  -8.161 -12.665
  111    H    GLN  16           H        GLN  16   0.028  -7.112  -8.843
  112    HA   GLN  16           HA       GLN  16  -0.301  -7.326 -11.727
  113    HB2  GLN  16           2HB      GLN  16   1.965  -7.099 -10.638
  114    HB3  GLN  16           1HB      GLN  16   1.729  -8.700  -9.949
  115    HG2  GLN  16           2HG      GLN  16   1.567  -9.642 -12.202
  116    HG3  GLN  16           1HG      GLN  16   1.823  -8.037 -12.884
  117   HE21  GLN  16          1HE2      GLN  16   3.492  -9.904 -13.705
  118   HE22  GLN  16          2HE2      GLN  16   5.052  -9.740 -12.981
  119    H    GLU  17           H        GLU  17  -1.184  -8.931 -12.777
  120    HA   GLU  17           HA       GLU  17  -2.830 -10.771 -11.478
  121    HB2  GLU  17           2HB      GLU  17  -1.865 -10.731 -14.335
  122    HB3  GLU  17           1HB      GLU  17  -3.171 -11.745 -13.736
  123    HG2  GLU  17           2HG      GLU  17  -4.409  -9.720 -13.087
  124    HG3  GLU  17           1HG      GLU  17  -3.116  -8.737 -13.773
  125    H    ASP  18           H        ASP  18  -2.841 -13.046 -11.501
  126    HA   ASP  18           HA       ASP  18  -0.539 -14.353 -10.584
  127    HB2  ASP  18           2HB      ASP  18  -3.018 -15.497 -11.877
  128    HB3  ASP  18           1HB      ASP  18  -1.815 -16.431 -10.996
  129    H    GLU  19           H        GLU  19  -2.020 -14.291 -13.803
  130    HA   GLU  19           HA       GLU  19  -0.224 -16.113 -14.990
  131    HB2  GLU  19           2HB      GLU  19  -1.981 -13.991 -16.218
  132    HB3  GLU  19           1HB      GLU  19  -1.097 -15.192 -17.145
  133    HG2  GLU  19           2HG      GLU  19  -2.343 -16.968 -15.981
  134    HG3  GLU  19           1HG      GLU  19  -3.263 -15.730 -15.127
  135    H    ASP  20           H        ASP  20  -0.241 -12.564 -14.881
  136    HA   ASP  20           HA       ASP  20   2.018 -12.271 -16.575
  137    HB2  ASP  20           2HB      ASP  20   0.821 -10.384 -14.532
  138    HB3  ASP  20           1HB      ASP  20   2.085  -9.938 -15.676
  139    H    ALA  21           H        ALA  21   1.544 -12.715 -13.173
  140    HA   ALA  21           HA       ALA  21   4.462 -12.636 -12.736
  141    HB1  ALA  21           1HB      ALA  21   4.152 -11.606 -10.765
  142    HB2  ALA  21           2HB      ALA  21   2.760 -12.607 -10.350
  143    HB3  ALA  21           3HB      ALA  21   2.558 -11.206 -11.402
  144    HA   PRO  22           HA       PRO  22   3.134 -17.052 -12.238
  145    HB2  PRO  22           2HB      PRO  22   4.973 -18.141 -13.860
  146    HB3  PRO  22           1HB      PRO  22   3.488 -17.423 -14.492
  147    HG2  PRO  22           2HG      PRO  22   6.238 -16.249 -14.348
  148    HG3  PRO  22           1HG      PRO  22   5.081 -16.219 -15.691
  149    HD2  PRO  22           2HD      PRO  22   5.429 -14.133 -13.966
  150    HD3  PRO  22           1HD      PRO  22   3.895 -14.467 -14.792
  151    H    ALA  23           H        ALA  23   5.907 -15.194 -11.709
  152    HA   ALA  23           HA       ALA  23   6.931 -17.160  -9.783
  153    HB1  ALA  23           1HB      ALA  23   8.793 -17.457 -10.968
  154    HB2  ALA  23           2HB      ALA  23   9.171 -15.753 -10.717
  155    HB3  ALA  23           3HB      ALA  23   8.282 -16.256 -12.154
  156    H    CYS  24           H        CYS  24   8.120 -16.195  -8.001
  157    HA   CYS  24           HA       CYS  24   6.924 -13.841  -7.048
  158    HB2  CYS  24           2HB      CYS  24   7.923 -15.705  -5.668
  159    HB3  CYS  24           1HB      CYS  24   9.508 -15.034  -6.043
  160    HG   CYS  24           HG       CYS  24   7.662 -12.996  -4.759
  161    H    ASN  25           H        ASN  25   7.379 -11.792  -7.319
  162    HA   ASN  25           HA       ASN  25   9.310 -10.856  -9.122
  163    HB2  ASN  25           2HB      ASN  25   7.763  -9.405  -6.965
  164    HB3  ASN  25           1HB      ASN  25   8.727  -8.600  -8.202
  165   HD21  ASN  25          1HD2      ASN  25   8.187  -9.480 -10.490
  166   HD22  ASN  25          2HD2      ASN  25   6.502  -9.550 -10.862
  167    H    GLY  26           H        GLY  26   9.467 -11.518  -5.711
  168    HA2  GLY  26           2HA      GLY  26  11.894  -9.965  -5.358
  169    HA3  GLY  26           1HA      GLY  26  11.050 -10.877  -4.123
  170    H    CYS  27           H        CYS  27  11.065 -13.426  -4.888
  171    HA   CYS  27           HA       CYS  27  13.935 -13.992  -5.056
  172    HB2  CYS  27           2HB      CYS  27  13.448 -16.106  -3.973
  173    HB3  CYS  27           1HB      CYS  27  12.736 -14.787  -3.051
  174    HG   CYS  27           HG       CYS  27  10.396 -15.504  -3.957
  175    H    GLY  28           H        GLY  28  11.321 -14.030  -7.127
  176    HA2  GLY  28           2HA      GLY  28  11.142 -14.876  -9.247
  177    HA3  GLY  28           1HA      GLY  28  12.774 -15.494  -9.077
  178    H    CYS  29           H        CYS  29  10.802 -16.615  -6.571
  179    HA   CYS  29           HA       CYS  29  10.927 -19.288  -7.549
  180    HB2  CYS  29           2HB      CYS  29   9.940 -19.951  -5.518
  181    HB3  CYS  29           1HB      CYS  29  10.899 -18.536  -5.097
  182    HG   CYS  29           HG       CYS  29   7.957 -18.808  -4.676
  183    H    VAL  30           H        VAL  30   9.320 -20.600  -8.352
  184    HA   VAL  30           HA       VAL  30   7.228 -19.220  -9.765
  185    HB   VAL  30           HB       VAL  30   7.214 -22.174  -9.699
  186   HG11  VAL  30          1HG1      VAL  30   5.781 -21.514 -11.305
  187   HG12  VAL  30          2HG1      VAL  30   7.246 -21.461 -12.286
  188   HG13  VAL  30          3HG1      VAL  30   6.610 -19.980 -11.570
  189   HG21  VAL  30          1HG2      VAL  30   9.117 -21.855 -11.561
  190   HG22  VAL  30          2HG2      VAL  30   9.472 -22.243  -9.878
  191   HG23  VAL  30          3HG2      VAL  30   9.588 -20.576 -10.442
  192    H    PHE  31           H        PHE  31   5.089 -19.247  -9.424
  193    HA   PHE  31           HA       PHE  31   4.151 -20.110  -6.827
  194    HB2  PHE  31           2HB      PHE  31   2.791 -18.638  -9.092
  195    HB3  PHE  31           1HB      PHE  31   1.993 -19.050  -7.576
  196    HD1  PHE  31           2HD      PHE  31   2.798 -18.058  -5.455
  197    HD2  PHE  31           1HD      PHE  31   4.263 -16.796  -9.243
  198    HE1  PHE  31           2HE      PHE  31   3.677 -16.006  -4.424
  199    HE2  PHE  31           1HE      PHE  31   5.147 -14.740  -8.219
  200    HZ   PHE  31           HZ       PHE  31   4.855 -14.345  -5.808
  201    H    THR  32           H        THR  32   2.936 -21.792  -6.397
  202    HA   THR  32           HA       THR  32   1.890 -23.409  -8.623
  203    HB   THR  32           HB       THR  32   2.557 -25.432  -7.539
  204    HG1  THR  32           1HG      THR  32   3.734 -24.009  -5.420
  205   HG21  THR  32          1HG2      THR  32   4.399 -23.776  -8.569
  206   HG22  THR  32          2HG2      THR  32   4.761 -25.387  -7.949
  207   HG23  THR  32          3HG2      THR  32   5.033 -23.970  -6.935
  208    H    THR  33           H        THR  33   0.257 -25.053  -7.815
  209    HA   THR  33           HA       THR  33  -2.006 -23.844  -6.851
  210    HB   THR  33           HB       THR  33  -1.268 -26.739  -6.399
  211    HG1  THR  33           1HG      THR  33  -1.786 -25.332  -8.686
  212   HG21  THR  33          1HG2      THR  33  -3.802 -26.926  -6.953
  213   HG22  THR  33          2HG2      THR  33  -3.847 -25.257  -6.380
  214   HG23  THR  33          3HG2      THR  33  -3.273 -26.541  -5.315
  215    H    THR  34           H        THR  34   0.523 -25.445  -4.937
  216    HA   THR  34           HA       THR  34  -0.931 -25.153  -2.500
  217    HB   THR  34           HB       THR  34   1.123 -25.887  -1.390
  218    HG1  THR  34           1HG      THR  34   2.252 -24.968  -3.699
  219   HG21  THR  34          1HG2      THR  34   0.341 -27.364  -3.864
  220   HG22  THR  34          2HG2      THR  34   0.024 -27.762  -2.175
  221   HG23  THR  34          3HG2      THR  34   1.650 -27.943  -2.835
  222    H    VAL  35           H        VAL  35   1.229 -23.061  -4.289
  223    HA   VAL  35           HA       VAL  35   1.475 -21.304  -1.957
  224    HB   VAL  35           HB       VAL  35   2.758 -21.111  -4.678
  225   HG11  VAL  35          1HG1      VAL  35   4.084 -19.286  -3.691
  226   HG12  VAL  35          2HG1      VAL  35   3.082 -19.370  -2.242
  227   HG13  VAL  35          3HG1      VAL  35   2.366 -18.901  -3.784
  228   HG21  VAL  35          1HG2      VAL  35   4.713 -21.286  -2.720
  229   HG22  VAL  35          2HG2      VAL  35   4.219 -22.566  -3.830
  230   HG23  VAL  35          3HG2      VAL  35   3.493 -22.460  -2.227
  231    H    ARG  36           H        ARG  36  -0.083 -19.942  -1.655
  232    HA   ARG  36           HA       ARG  36  -1.874 -19.068  -3.728
  233    HB2  ARG  36           2HB      ARG  36  -1.585 -18.242  -0.836
  234    HB3  ARG  36           1HB      ARG  36  -2.860 -17.673  -1.906
  235    HG2  ARG  36           2HG      ARG  36  -3.620 -19.993  -2.200
  236    HG3  ARG  36           1HG      ARG  36  -2.374 -20.526  -1.069
  237    HD2  ARG  36           2HD      ARG  36  -3.398 -19.025   0.643
  238    HD3  ARG  36           1HD      ARG  36  -4.707 -18.704  -0.494
  239    HE   ARG  36           HE       ARG  36  -5.625 -20.695   0.116
  240   HH11  ARG  36          1HH1      ARG  36  -2.221 -20.790   0.842
  241   HH12  ARG  36          2HH1      ARG  36  -2.287 -22.359   1.571
  242   HH21  ARG  36          1HH2      ARG  36  -5.724 -22.762   1.078
  243   HH22  ARG  36          2HH2      ARG  36  -4.279 -23.479   1.707
  244    H    ARG  37           H        ARG  37  -2.169 -16.976  -4.504
  245    HA   ARG  37           HA       ARG  37   0.282 -15.481  -4.780
  246    HB2  ARG  37           2HB      ARG  37  -1.223 -15.733  -6.702
  247    HB3  ARG  37           1HB      ARG  37  -2.491 -14.882  -5.829
  248    HG2  ARG  37           2HG      ARG  37  -1.124 -12.866  -5.779
  249    HG3  ARG  37           1HG      ARG  37   0.168 -13.719  -6.622
  250    HD2  ARG  37           2HD      ARG  37  -1.136 -12.318  -8.141
  251    HD3  ARG  37           1HD      ARG  37  -1.261 -14.024  -8.558
  252    HE   ARG  37           HE       ARG  37  -3.440 -13.813  -7.146
  253   HH11  ARG  37          1HH1      ARG  37  -2.142 -11.444  -9.357
  254   HH12  ARG  37          2HH1      ARG  37  -3.693 -10.791  -9.759
  255   HH21  ARG  37          1HH2      ARG  37  -5.477 -12.958  -7.681
  256   HH22  ARG  37          2HH2      ARG  37  -5.587 -11.648  -8.809
  257    H    HIS  38           H        HIS  38   0.763 -13.492  -3.974
  258    HA   HIS  38           HA       HIS  38  -1.206 -12.167  -2.272
  259    HB2  HIS  38           2HB      HIS  38   1.594 -12.881  -1.377
  260    HB3  HIS  38           1HB      HIS  38   0.460 -11.885  -0.472
  261    HD1  HIS  38           1HD      HIS  38  -1.901 -13.238   0.093
  262    HD2  HIS  38           2HD      HIS  38   1.503 -15.489  -0.690
  263    HE1  HIS  38           1HE      HIS  38  -2.364 -15.514   1.057
  264    HE2  HIS  38           2HE      HIS  38  -0.323 -16.882   0.501
  265    H    HIS  39           H        HIS  39  -0.621  -9.945  -1.743
  266    HA   HIS  39           HA       HIS  39   1.285  -8.788  -3.677
  267    HB2  HIS  39           2HB      HIS  39  -1.375  -7.605  -2.856
  268    HB3  HIS  39           1HB      HIS  39  -0.230  -6.898  -3.990
  269    HD1  HIS  39           1HD      HIS  39   0.284  -8.663  -6.122
  270    HD2  HIS  39           2HD      HIS  39  -3.340  -8.949  -4.110
  271    HE1  HIS  39           1HE      HIS  39  -1.265  -9.873  -7.693
  272    HE2  HIS  39           2HE      HIS  39  -3.430 -10.097  -6.425
  273    H    CYS  40           H        CYS  40   2.472  -7.000  -3.023
  274    HA   CYS  40           HA       CYS  40   2.642  -6.587  -0.138
  275    HB2  CYS  40           2HB      CYS  40   4.755  -6.999  -1.232
  276    HB3  CYS  40           1HB      CYS  40   4.410  -5.792  -2.467
  277    HG   CYS  40           HG       CYS  40   4.541  -4.517   0.262
  278    H    ARG  41           H        ARG  41   2.119  -4.674   0.821
  279    HA   ARG  41           HA       ARG  41   0.322  -2.973  -0.563
  280    HB2  ARG  41           2HB      ARG  41   1.551  -2.646   2.175
  281    HB3  ARG  41           1HB      ARG  41   0.165  -1.755   1.561
  282    HG2  ARG  41           2HG      ARG  41   0.265  -4.741   1.926
  283    HG3  ARG  41           1HG      ARG  41  -0.462  -3.601   3.060
  284    HD2  ARG  41           2HD      ARG  41  -1.971  -2.841   1.239
  285    HD3  ARG  41           1HD      ARG  41  -1.303  -4.108   0.210
  286    HE   ARG  41           HE       ARG  41  -2.645  -5.605   1.282
  287   HH11  ARG  41          1HH1      ARG  41  -2.289  -2.789   3.296
  288   HH12  ARG  41          2HH1      ARG  41  -3.418  -3.337   4.489
  289   HH21  ARG  41          1HH2      ARG  41  -4.129  -6.344   2.847
  290   HH22  ARG  41          2HH2      ARG  41  -4.459  -5.365   4.237
  291    H    ASN  42           H        ASN  42   3.651  -2.943  -0.540
  292    HA   ASN  42           HA       ASN  42   3.825  -0.029  -0.781
  293    HB2  ASN  42           2HB      ASN  42   5.942  -2.150  -0.415
  294    HB3  ASN  42           1HB      ASN  42   6.316  -0.465  -0.750
  295   HD21  ASN  42          1HD2      ASN  42   6.354  -2.546   1.626
  296   HD22  ASN  42          2HD2      ASN  42   5.902  -1.552   2.963
  297    H    CYS  43           H        CYS  43   5.574  -2.678  -2.396
  298    HA   CYS  43           HA       CYS  43   5.795  -1.131  -4.782
  299    HB2  CYS  43           2HB      CYS  43   6.975  -3.042  -5.710
  300    HB3  CYS  43           1HB      CYS  43   7.550  -2.712  -4.082
  301    HG   CYS  43           HG       CYS  43   7.128  -5.310  -4.536
  302    H    GLY  44           H        GLY  44   3.556  -3.490  -3.608
  303    HA2  GLY  44           2HA      GLY  44   1.509  -4.112  -4.463
  304    HA3  GLY  44           1HA      GLY  44   1.776  -2.988  -5.787
  305    H    TYR  45           H        TYR  45   4.162  -5.396  -5.153
  306    HA   TYR  45           HA       TYR  45   3.439  -6.728  -7.660
  307    HB2  TYR  45           2HB      TYR  45   6.003  -6.883  -6.064
  308    HB3  TYR  45           1HB      TYR  45   5.714  -7.642  -7.623
  309    HD1  TYR  45           1HD      TYR  45   4.371  -5.505  -9.117
  310    HD2  TYR  45           2HD      TYR  45   7.671  -5.307  -6.438
  311    HE1  TYR  45           1HE      TYR  45   5.171  -3.479 -10.261
  312    HE2  TYR  45           2HE      TYR  45   8.479  -3.280  -7.573
  313    HH   TYR  45           HH       TYR  45   7.082  -1.347  -9.108
  314    H    VAL  46           H        VAL  46   3.757  -9.072  -7.767
  315    HA   VAL  46           HA       VAL  46   2.337 -10.303  -5.597
  316    HB   VAL  46           HB       VAL  46   3.438 -11.500  -8.145
  317   HG11  VAL  46          1HG1      VAL  46   3.329 -13.202  -6.426
  318   HG12  VAL  46          2HG1      VAL  46   2.046 -13.457  -7.608
  319   HG13  VAL  46          3HG1      VAL  46   1.673 -12.740  -6.040
  320   HG21  VAL  46          1HG2      VAL  46   1.227 -11.401  -8.990
  321   HG22  VAL  46          2HG2      VAL  46   1.544  -9.819  -8.276
  322   HG23  VAL  46          3HG2      VAL  46   0.562 -10.999  -7.407
  323    H    LEU  47           H        LEU  47   3.154 -11.429  -3.948
  324    HA   LEU  47           HA       LEU  47   5.920 -12.422  -4.130
  325    HB2  LEU  47           2HB      LEU  47   4.658 -10.968  -1.798
  326    HB3  LEU  47           1HB      LEU  47   6.168 -11.844  -1.699
  327    HG   LEU  47           HG       LEU  47   6.404  -9.378  -1.873
  328   HD11  LEU  47          1HD1      LEU  47   7.658 -11.270  -3.787
  329   HD12  LEU  47          2HD1      LEU  47   8.359 -10.421  -2.410
  330   HD13  LEU  47          3HD1      LEU  47   8.029  -9.551  -3.908
  331   HD21  LEU  47          1HD2      LEU  47   4.491  -9.473  -3.760
  332   HD22  LEU  47          2HD2      LEU  47   5.938  -9.409  -4.767
  333   HD23  LEU  47          3HD2      LEU  47   5.634  -8.144  -3.574
  334    H    CYS  48           H        CYS  48   6.272 -14.397  -3.193
  335    HA   CYS  48           HA       CYS  48   3.932 -15.935  -2.485
  336    HB2  CYS  48           2HB      CYS  48   5.298 -17.840  -2.596
  337    HB3  CYS  48           1HB      CYS  48   6.029 -16.769  -3.788
  338    HG   CYS  48           HG       CYS  48   7.278 -16.930  -0.954
  339    H    GLY  49           H        GLY  49   4.269 -17.408  -0.381
  340    HA2  GLY  49           2HA      GLY  49   4.024 -15.774   1.815
  341    HA3  GLY  49           1HA      GLY  49   4.486 -17.467   1.908
  342    H    ASP  50           H        ASP  50   6.934 -17.623   0.934
  343    HA   ASP  50           HA       ASP  50   8.587 -16.731   2.972
  344    HB2  ASP  50           2HB      ASP  50   9.190 -17.670   0.179
  345    HB3  ASP  50           1HB      ASP  50  10.469 -17.219   1.298
  346    H    CYS  51           H        CYS  51   7.853 -15.166  -0.067
  347    HA   CYS  51           HA       CYS  51   9.809 -13.078   0.451
  348    HB2  CYS  51           2HB      CYS  51   8.151 -13.887  -1.873
  349    HB3  CYS  51           1HB      CYS  51   8.573 -12.181  -1.750
  350    HG   CYS  51           HG       CYS  51  11.071 -12.823  -1.924
  351    H    SER  52           H        SER  52   6.776 -13.728   1.504
  352    HA   SER  52           HA       SER  52   6.213 -10.887   1.951
  353    HB2  SER  52           2HB      SER  52   3.922 -11.116   1.456
  354    HB3  SER  52           1HB      SER  52   4.713 -12.024   0.168
  355    HG   SER  52           HG       SER  52   3.650 -13.698   0.828
  356    H    ARG  53           H        ARG  53   7.505 -13.067   3.516
  357    HA   ARG  53           HA       ARG  53   5.619 -13.707   5.606
  358    HB2  ARG  53           2HB      ARG  53   8.571 -14.233   5.283
  359    HB3  ARG  53           1HB      ARG  53   7.719 -14.602   6.776
  360    HG2  ARG  53           2HG      ARG  53   6.169 -16.031   5.401
  361    HG3  ARG  53           1HG      ARG  53   7.286 -15.797   4.058
  362    HD2  ARG  53           2HD      ARG  53   9.104 -16.715   5.468
  363    HD3  ARG  53           1HD      ARG  53   7.911 -17.059   6.720
  364    HE   ARG  53           HE       ARG  53   8.415 -18.588   4.369
  365   HH11  ARG  53          1HH1      ARG  53   5.911 -17.619   6.587
  366   HH12  ARG  53          2HH1      ARG  53   4.934 -19.020   6.299
  367   HH21  ARG  53          1HH2      ARG  53   7.132 -20.432   3.976
  368   HH22  ARG  53          2HH2      ARG  53   5.624 -20.615   4.807
  369    H    HIS  54           H        HIS  54   7.739 -11.094   4.898
  370    HA   HIS  54           HA       HIS  54   8.157 -10.327   7.631
  371    HB2  HIS  54           2HB      HIS  54   8.639  -8.873   5.030
  372    HB3  HIS  54           1HB      HIS  54   9.055  -8.212   6.602
  373    HD1  HIS  54           1HD      HIS  54  11.117  -9.181   7.787
  374    HD2  HIS  54           2HD      HIS  54  10.302 -10.951   4.119
  375    HE1  HIS  54           1HE      HIS  54  13.167 -10.519   7.218
  376    HE2  HIS  54           2HE      HIS  54  12.639 -11.611   5.008
  377    H    ARG  55           H        ARG  55   7.527  -8.172   8.416
  378    HA   ARG  55           HA       ARG  55   5.008  -7.175   7.333
  379    HB2  ARG  55           2HB      ARG  55   5.394  -7.951  10.232
  380    HB3  ARG  55           1HB      ARG  55   3.988  -7.119   9.577
  381    HG2  ARG  55           2HG      ARG  55   3.567  -9.066   8.112
  382    HG3  ARG  55           1HG      ARG  55   4.902  -9.905   8.901
  383    HD2  ARG  55           2HD      ARG  55   2.382  -8.907  10.224
  384    HD3  ARG  55           1HD      ARG  55   2.778 -10.587   9.860
  385    HE   ARG  55           HE       ARG  55   3.741  -9.017  12.064
  386   HH11  ARG  55          1HH1      ARG  55   4.377 -11.750   9.999
  387   HH12  ARG  55          2HH1      ARG  55   5.381 -12.555  11.159
  388   HH21  ARG  55          1HH2      ARG  55   5.053 -10.072  13.597
  389   HH22  ARG  55          2HH2      ARG  55   5.762 -11.603  13.206
  390    H    ALA  56           H        ALA  56   4.796  -5.015   7.475
  391    HA   ALA  56           HA       ALA  56   6.359  -3.444   9.345
  392    HB1  ALA  56           1HB      ALA  56   7.531  -2.151   7.581
  393    HB2  ALA  56           2HB      ALA  56   6.987  -3.345   6.403
  394    HB3  ALA  56           3HB      ALA  56   8.064  -3.825   7.713
  395    H    ALA  57           H        ALA  57   5.832  -1.187   9.359
  396    HA   ALA  57           HA       ALA  57   3.153  -0.668   8.340
  397    HB1  ALA  57           1HB      ALA  57   3.167   0.063  10.511
  398    HB2  ALA  57           2HB      ALA  57   3.698   1.544   9.715
  399    HB3  ALA  57           3HB      ALA  57   4.881   0.479  10.472
  400    H    ILE  58           H        ILE  58   2.696   1.156   7.004
  401    HA   ILE  58           HA       ILE  58   5.052   2.332   5.698
  402    HB   ILE  58           HB       ILE  58   2.506   1.817   4.210
  403   HG12  ILE  58          2HG1      ILE  58   4.788  -0.156   4.447
  404   HG13  ILE  58          1HG1      ILE  58   3.253  -0.321   5.292
  405   HG21  ILE  58          1HG2      ILE  58   4.258   3.273   3.261
  406   HG22  ILE  58          2HG2      ILE  58   3.976   1.828   2.293
  407   HG23  ILE  58          3HG2      ILE  58   5.390   1.925   3.340
  408   HD11  ILE  58          1HD1      ILE  58   2.221  -1.114   3.483
  409   HD12  ILE  58          2HD1      ILE  58   3.849  -1.399   2.868
  410   HD13  ILE  58          3HD1      ILE  58   2.977   0.066   2.414
  411    HA   PRO  59           HA       PRO  59   2.359   5.675   7.430
  412    HB2  PRO  59           2HB      PRO  59   4.463   7.327   7.997
  413    HB3  PRO  59           1HB      PRO  59   3.824   6.116   9.112
  414    HG2  PRO  59           2HG      PRO  59   6.201   5.956   7.303
  415    HG3  PRO  59           1HG      PRO  59   6.024   5.392   8.976
  416    HD2  PRO  59           2HD      PRO  59   5.887   3.707   6.875
  417    HD3  PRO  59           1HD      PRO  59   4.915   3.464   8.342
  418    H    MET  60           H        MET  60   4.455   5.427   4.712
  419    HA   MET  60           HA       MET  60   3.951   8.163   3.850
  420    HB2  MET  60           2HB      MET  60   5.329   5.855   2.457
  421    HB3  MET  60           1HB      MET  60   5.255   7.507   1.863
  422    HG2  MET  60           2HG      MET  60   6.649   6.541   4.345
  423    HG3  MET  60           1HG      MET  60   7.400   7.104   2.854
  424    HE1  MET  60           1HE      MET  60   5.553   9.649   2.132
  425    HE2  MET  60           2HE      MET  60   7.309   9.561   1.996
  426    HE3  MET  60           3HE      MET  60   6.557  10.904   2.859
  427    H    ARG  61           H        ARG  61   3.007   4.872   3.199
  428    HA   ARG  61           HA       ARG  61   1.225   5.580   1.024
  429    HB2  ARG  61           2HB      ARG  61   1.512   2.952   2.483
  430    HB3  ARG  61           1HB      ARG  61   0.725   3.215   0.933
  431    HG2  ARG  61           2HG      ARG  61   3.651   3.654   1.476
  432    HG3  ARG  61           1HG      ARG  61   2.963   2.217   0.717
  433    HD2  ARG  61           2HD      ARG  61   2.725   5.031  -0.337
  434    HD3  ARG  61           1HD      ARG  61   3.873   3.822  -0.915
  435    HE   ARG  61           HE       ARG  61   1.103   3.010  -1.007
  436   HH11  ARG  61          1HH1      ARG  61   3.738   4.528  -2.704
  437   HH12  ARG  61          2HH1      ARG  61   3.071   4.225  -4.274
  438   HH21  ARG  61          1HH2      ARG  61   0.215   2.609  -3.067
  439   HH22  ARG  61          2HH2      ARG  61   1.067   3.134  -4.481
  440    H    GLY  62           H        GLY  62   1.058   6.061   4.196
  441    HA2  GLY  62           2HA      GLY  62  -0.831   6.885   5.339
  442    HA3  GLY  62           1HA      GLY  62  -1.863   6.056   4.183
  443    H    ILE  63           H        ILE  63   0.563   3.985   5.191
  444    HA   ILE  63           HA       ILE  63  -1.303   2.594   6.950
  445    HB   ILE  63           HB       ILE  63   1.303   1.707   5.700
  446   HG12  ILE  63          2HG1      ILE  63  -1.518   0.834   5.055
  447   HG13  ILE  63          1HG1      ILE  63  -0.662   2.092   4.167
  448   HG21  ILE  63          1HG2      ILE  63  -0.670   0.208   7.405
  449   HG22  ILE  63          2HG2      ILE  63   1.041   0.488   7.719
  450   HG23  ILE  63          3HG2      ILE  63   0.550  -0.578   6.402
  451   HD11  ILE  63          1HD1      ILE  63   0.533  -0.629   4.468
  452   HD12  ILE  63          2HD1      ILE  63   0.821   0.591   3.226
  453   HD13  ILE  63          3HD1      ILE  63  -0.695  -0.310   3.242
  454    H    THR  64           H        THR  64  -1.149   3.471   8.958
  455    HA   THR  64           HA       THR  64   1.447   4.125  10.080
  456    HB   THR  64           HB       THR  64   0.142   4.925  12.031
  457    HG1  THR  64           1HG      THR  64  -2.241   4.667  10.643
  458   HG21  THR  64          1HG2      THR  64  -0.659   6.865  11.070
  459   HG22  THR  64          2HG2      THR  64  -1.178   6.043   9.599
  460   HG23  THR  64          3HG2      THR  64   0.538   6.309   9.899
  461    H    GLU  65           H        GLU  65  -0.722   1.480  10.077
  462    HA   GLU  65           HA       GLU  65   0.564   0.326  12.452
  463    HB2  GLU  65           2HB      GLU  65  -1.892  -0.590  10.935
  464    HB3  GLU  65           1HB      GLU  65  -1.250  -1.342  12.389
  465    HG2  GLU  65           2HG      GLU  65  -1.551   1.143  13.306
  466    HG3  GLU  65           1HG      GLU  65  -2.803   1.150  12.066
  467    HA   PRO  66           HA       PRO  66   3.212  -2.059   9.889
  468    HB2  PRO  66           2HB      PRO  66   2.715  -4.267  11.831
  469    HB3  PRO  66           1HB      PRO  66   4.248  -3.594  11.265
  470    HG2  PRO  66           2HG      PRO  66   3.307  -3.016  13.697
  471    HG3  PRO  66           1HG      PRO  66   4.155  -1.799  12.725
  472    HD2  PRO  66           2HD      PRO  66   1.238  -2.082  13.287
  473    HD3  PRO  66           1HD      PRO  66   2.211  -0.614  13.067
  474    H    GLU  67           H        GLU  67   2.681  -2.945   8.044
  475    HA   GLU  67           HA       GLU  67   0.550  -4.969   7.960
  476    HB2  GLU  67           2HB      GLU  67   1.110  -2.807   5.924
  477    HB3  GLU  67           1HB      GLU  67  -0.066  -4.092   5.724
  478    HG2  GLU  67           2HG      GLU  67  -1.262  -3.248   7.720
  479    HG3  GLU  67           1HG      GLU  67  -0.131  -1.900   7.774
  480    H    ARG  68           H        ARG  68   0.688  -6.334   5.939
  481    HA   ARG  68           HA       ARG  68   3.271  -7.495   5.803
  482    HB2  ARG  68           2HB      ARG  68   2.287  -9.058   4.230
  483    HB3  ARG  68           1HB      ARG  68   1.232  -8.812   5.617
  484    HG2  ARG  68           2HG      ARG  68  -0.056  -7.174   4.220
  485    HG3  ARG  68           1HG      ARG  68   0.907  -7.707   2.839
  486    HD2  ARG  68           2HD      ARG  68   0.146 -10.025   3.266
  487    HD3  ARG  68           1HD      ARG  68  -0.899  -9.413   4.549
  488    HE   ARG  68           HE       ARG  68  -1.713  -7.959   2.463
  489   HH11  ARG  68          1HH1      ARG  68  -1.102 -11.374   2.778
  490   HH12  ARG  68          2HH1      ARG  68  -2.287 -11.827   1.599
  491   HH21  ARG  68          1HH2      ARG  68  -3.277  -8.544   0.912
  492   HH22  ARG  68          2HH2      ARG  68  -3.525 -10.217   0.538
  493    H    VAL  69           H        VAL  69   4.794  -7.462   4.323
  494    HA   VAL  69           HA       VAL  69   4.465  -6.061   1.781
  495    HB   VAL  69           HB       VAL  69   6.532  -4.762   2.116
  496   HG11  VAL  69          1HG1      VAL  69   4.611  -3.483   2.374
  497   HG12  VAL  69          2HG1      VAL  69   5.513  -3.160   3.857
  498   HG13  VAL  69          3HG1      VAL  69   4.159  -4.288   3.879
  499   HG21  VAL  69          1HG2      VAL  69   7.802  -5.762   3.749
  500   HG22  VAL  69          2HG2      VAL  69   6.410  -6.073   4.791
  501   HG23  VAL  69          3HG2      VAL  69   7.075  -4.443   4.672
  502    H    CYS  70           H        CYS  70   6.786  -6.164   0.673
  503    HA   CYS  70           HA       CYS  70   7.588  -8.965   0.813
  504    HB2  CYS  70           2HB      CYS  70   8.336  -8.796  -1.377
  505    HB3  CYS  70           1HB      CYS  70   6.990  -7.667  -1.379
  506    HG   CYS  70           HG       CYS  70   9.760  -6.430  -0.935
  507    H    ASP  71           H        ASP  71  10.204  -8.725  -0.185
  508    HA   ASP  71           HA       ASP  71  11.511  -7.930   2.270
  509    HB2  ASP  71           2HB      ASP  71  12.640  -9.137  -0.264
  510    HB3  ASP  71           1HB      ASP  71  13.562  -8.854   1.210
  511    H    ALA  72           H        ALA  72  11.608  -6.787  -1.097
  512    HA   ALA  72           HA       ALA  72  13.651  -4.876  -0.632
  513    HB1  ALA  72           1HB      ALA  72  11.556  -4.557  -2.748
  514    HB2  ALA  72           2HB      ALA  72  12.794  -5.806  -2.866
  515    HB3  ALA  72           3HB      ALA  72  13.260  -4.106  -2.793
  516    H    CYS  73           H        CYS  73  10.118  -4.600  -0.646
  517    HA   CYS  73           HA       CYS  73   9.994  -1.827  -0.195
  518    HB2  CYS  73           2HB      CYS  73   7.960  -3.877   0.699
  519    HB3  CYS  73           1HB      CYS  73   7.679  -2.178   0.334
  520    HG   CYS  73           HG       CYS  73   8.621  -3.932  -2.012
  521    H    TYR  74           H        TYR  74  10.073  -4.598   2.000
  522    HA   TYR  74           HA       TYR  74   9.642  -3.224   4.394
  523    HB2  TYR  74           2HB      TYR  74   9.712  -5.693   4.233
  524    HB3  TYR  74           1HB      TYR  74  11.445  -5.615   3.925
  525    HD1  TYR  74           2HD      TYR  74   8.820  -5.133   6.468
  526    HD2  TYR  74           1HD      TYR  74  13.004  -5.269   5.708
  527    HE1  TYR  74           2HE      TYR  74   9.251  -5.231   8.887
  528    HE2  TYR  74           1HE      TYR  74  13.446  -5.370   8.124
  529    HH   TYR  74           HH       TYR  74  12.542  -5.581  10.156
  530    H    LEU  75           H        LEU  75  12.546  -3.727   2.480
  531    HA   LEU  75           HA       LEU  75  14.326  -2.465   4.317
  532    HB2  LEU  75           2HB      LEU  75  14.472  -3.467   1.529
  533    HB3  LEU  75           1HB      LEU  75  15.678  -2.299   2.028
  534    HG   LEU  75           HG       LEU  75  15.161  -4.788   3.632
  535   HD11  LEU  75          1HD1      LEU  75  17.049  -5.821   2.428
  536   HD12  LEU  75          2HD1      LEU  75  17.028  -4.475   1.288
  537   HD13  LEU  75          3HD1      LEU  75  15.641  -5.559   1.399
  538   HD21  LEU  75          1HD2      LEU  75  17.818  -3.515   3.367
  539   HD22  LEU  75          2HD2      LEU  75  17.046  -4.255   4.770
  540   HD23  LEU  75          3HD2      LEU  75  16.592  -2.626   4.270
  541    H    ALA  76           H        ALA  76  12.917  -1.369   1.220
  542    HA   ALA  76           HA       ALA  76  14.080   1.114   1.110
  543    HB1  ALA  76           1HB      ALA  76  12.244   1.811  -0.318
  544    HB2  ALA  76           2HB      ALA  76  11.250   0.477   0.268
  545    HB3  ALA  76           3HB      ALA  76  12.694   0.147  -0.690
  546    H    LEU  77           H        LEU  77  11.042   0.246   2.737
  547    HA   LEU  77           HA       LEU  77  10.579   2.845   3.794
  548    HB2  LEU  77           2HB      LEU  77   9.671   0.136   4.785
  549    HB3  LEU  77           1HB      LEU  77   9.069   1.668   5.385
  550    HG   LEU  77           HG       LEU  77   8.820   0.848   2.498
  551   HD11  LEU  77          1HD1      LEU  77   7.635  -0.825   3.656
  552   HD12  LEU  77          2HD1      LEU  77   6.427   0.354   3.146
  553   HD13  LEU  77          3HD1      LEU  77   6.983   0.330   4.819
  554   HD21  LEU  77          1HD2      LEU  77   8.599   3.227   2.907
  555   HD22  LEU  77          2HD2      LEU  77   7.420   2.924   4.182
  556   HD23  LEU  77          3HD2      LEU  77   7.024   2.538   2.506
  557    H    ARG  78           H        ARG  78  12.165  -0.061   4.930
  558    HA   ARG  78           HA       ARG  78  12.849   0.647   7.517
  559    HB2  ARG  78           2HB      ARG  78  13.113  -1.599   6.549
  560    HB3  ARG  78           1HB      ARG  78  14.413  -1.010   5.530
  561    HG2  ARG  78           2HG      ARG  78  15.625  -0.409   7.674
  562    HG3  ARG  78           1HG      ARG  78  14.393  -1.367   8.499
  563    HD2  ARG  78           2HD      ARG  78  14.978  -3.292   7.063
  564    HD3  ARG  78           1HD      ARG  78  16.268  -2.330   6.347
  565    HE   ARG  78           HE       ARG  78  16.293  -3.628   8.908
  566   HH11  ARG  78          1HH1      ARG  78  17.622  -1.027   7.006
  567   HH12  ARG  78          2HH1      ARG  78  19.087  -0.932   7.924
  568   HH21  ARG  78          1HH2      ARG  78  18.227  -3.513  10.119
  569   HH22  ARG  78          2HH2      ARG  78  19.430  -2.342   9.694
  570    H    SER  79           H        SER  79  14.007   1.924   4.540
  571    HA   SER  79           HA       SER  79  16.619   2.650   5.224
  572    HB2  SER  79           2HB      SER  79  14.646   4.063   3.412
  573    HB3  SER  79           1HB      SER  79  16.382   4.377   3.462
  574    HG   SER  79           HG       SER  79  16.618   2.083   2.941
  575    H    SER  80           H        SER  80  17.482   4.629   5.958
  576    HA   SER  80           HA       SER  80  15.602   6.269   7.527
  577    HB2  SER  80           2HB      SER  80  18.469   5.600   8.239
  578    HB3  SER  80           1HB      SER  80  17.357   6.575   9.200
  579    HG   SER  80           HG       SER  80  16.012   4.666   9.307
  580    H    ASN  81           H        ASN  81  16.022   8.504   7.647
  581    HA   ASN  81           HA       ASN  81  16.909   9.730   5.323
  582    HB2  ASN  81           2HB      ASN  81  16.768  10.908   8.107
  583    HB3  ASN  81           1HB      ASN  81  16.886  11.836   6.615
  584   HD21  ASN  81          1HD2      ASN  81  15.158  10.493   4.983
  585   HD22  ASN  81          2HD2      ASN  81  13.550  10.627   5.598
  586    H    MET  82           H        MET  82  18.667   8.873   8.228
  587    HA   MET  82           HA       MET  82  21.071  10.236   7.333
  588    HB2  MET  82           2HB      MET  82  20.490   8.549   9.773
  589    HB3  MET  82           1HB      MET  82  22.043   9.307   9.446
  590    HG2  MET  82           2HG      MET  82  20.927  11.511   9.459
  591    HG3  MET  82           1HG      MET  82  19.419  10.711   9.897
  592    HE1  MET  82           1HE      MET  82  23.258  10.370  12.197
  593    HE2  MET  82           2HE      MET  82  22.917  12.081  11.936
  594    HE3  MET  82           3HE      MET  82  23.026  10.983  10.559
  595    H    ALA  83           H        ALA  83  22.862   9.275   6.495
  596    HA   ALA  83           HA       ALA  83  22.616   6.820   5.157
  597    HB1  ALA  83           1HB      ALA  83  24.794   8.762   5.644
  598    HB2  ALA  83           2HB      ALA  83  24.195   8.081   4.130
  599    HB3  ALA  83           3HB      ALA  83  25.270   7.134   5.160
  600    H    GLY  84           H        GLY  84  23.473   4.782   5.546
  601    HA2  GLY  84           2HA      GLY  84  23.898   4.175   8.369
  602    HA3  GLY  84           1HA      GLY  84  23.588   3.011   7.091
  Start of MODEL   18
    1    H1   GLY   1           1HT      GLY   1 -19.981   3.989   9.900
    2    H2   GLY   1           2HT      GLY   1 -21.117   3.186   8.937
    3    H3   GLY   1           3HT      GLY   1 -21.635   4.246  10.148
    4    HA2  GLY   1           1HA      GLY   1 -21.603   5.943   8.759
    5    HA3  GLY   1           2HA      GLY   1 -19.895   5.651   8.466
    6    HA   PRO   2           HA       PRO   2 -21.494   5.150   4.270
    7    HB2  PRO   2           2HB      PRO   2 -19.006   4.635   3.193
    8    HB3  PRO   2           1HB      PRO   2 -19.687   6.248   3.422
    9    HG2  PRO   2           2HG      PRO   2 -17.738   4.754   5.121
   10    HG3  PRO   2           1HG      PRO   2 -17.769   6.475   4.696
   11    HD2  PRO   2           2HD      PRO   2 -18.588   5.597   7.099
   12    HD3  PRO   2           1HD      PRO   2 -19.375   6.968   6.289
   13    H    LEU   3           H        LEU   3 -21.944   3.378   3.005
   14    HA   LEU   3           HA       LEU   3 -21.826   0.833   4.171
   15    HB2  LEU   3           2HB      LEU   3 -22.239   1.540   1.264
   16    HB3  LEU   3           1HB      LEU   3 -22.613  -0.006   2.002
   17    HG   LEU   3           HG       LEU   3 -23.984   2.632   2.483
   18   HD11  LEU   3          1HD1      LEU   3 -24.764   1.520   0.514
   19   HD12  LEU   3          2HD1      LEU   3 -25.973   1.304   1.779
   20   HD13  LEU   3          3HD1      LEU   3 -24.882  -0.018   1.368
   21   HD21  LEU   3          1HD2      LEU   3 -25.379   0.679   3.862
   22   HD22  LEU   3          2HD2      LEU   3 -24.381   1.951   4.567
   23   HD23  LEU   3          3HD2      LEU   3 -23.691   0.358   4.257
   24    H    GLY   4           H        GLY   4 -19.610   2.521   2.097
   25    HA2  GLY   4           2HA      GLY   4 -18.133   0.185   1.305
   26    HA3  GLY   4           1HA      GLY   4 -17.661   1.856   1.047
   27    H    SER   5           H        SER   5 -18.410   1.398   4.285
   28    HA   SER   5           HA       SER   5 -15.801   1.865   5.174
   29    HB2  SER   5           2HB      SER   5 -18.150   0.686   6.674
   30    HB3  SER   5           1HB      SER   5 -16.668   1.274   7.428
   31    HG   SER   5           HG       SER   5 -18.681   2.725   6.093
   32    H    MET   6           H        MET   6 -17.533  -1.116   4.576
   33    HA   MET   6           HA       MET   6 -15.397  -2.725   5.730
   34    HB2  MET   6           2HB      MET   6 -18.016  -3.469   4.422
   35    HB3  MET   6           1HB      MET   6 -16.852  -4.646   5.013
   36    HG2  MET   6           2HG      MET   6 -17.072  -3.634   7.272
   37    HG3  MET   6           1HG      MET   6 -18.362  -2.615   6.637
   38    HE1  MET   6           1HE      MET   6 -17.035  -6.019   7.414
   39    HE2  MET   6           2HE      MET   6 -17.746  -6.661   5.932
   40    HE3  MET   6           3HE      MET   6 -18.433  -7.089   7.498
   41    H    GLY   7           H        GLY   7 -13.958  -3.942   4.582
   42    HA2  GLY   7           2HA      GLY   7 -13.003  -4.938   2.693
   43    HA3  GLY   7           1HA      GLY   7 -14.219  -4.160   1.692
   44    H    GLU   8           H        GLU   8 -12.858  -1.951   3.824
   45    HA   GLU   8           HA       GLU   8 -11.362  -0.722   1.655
   46    HB2  GLU   8           2HB      GLU   8 -12.911   0.600   3.100
   47    HB3  GLU   8           1HB      GLU   8 -11.838   0.305   4.460
   48    HG2  GLU   8           2HG      GLU   8 -10.036   1.474   3.272
   49    HG3  GLU   8           1HG      GLU   8 -11.142   1.797   1.939
   50    H    LYS   9           H        LYS   9 -10.532  -3.151   3.442
   51    HA   LYS   9           HA       LYS   9  -8.142  -2.293   4.744
   52    HB2  LYS   9           2HB      LYS   9  -9.027  -5.034   3.815
   53    HB3  LYS   9           1HB      LYS   9  -7.615  -4.730   4.817
   54    HG2  LYS   9           2HG      LYS   9  -9.069  -3.794   6.557
   55    HG3  LYS   9           1HG      LYS   9 -10.477  -4.154   5.554
   56    HD2  LYS   9           2HD      LYS   9  -9.805  -6.553   5.586
   57    HD3  LYS   9           1HD      LYS   9  -8.520  -6.132   6.722
   58    HE2  LYS   9           2HE      LYS   9 -10.020  -5.620   8.418
   59    HE3  LYS   9           1HE      LYS   9 -11.360  -5.384   7.297
   60    HZ1  LYS   9           1HZ      LYS   9 -11.403  -7.761   6.892
   61    HZ2  LYS   9           2HZ      LYS   9 -11.581  -7.447   8.544
   62    HZ3  LYS   9           3HZ      LYS   9 -10.098  -7.996   7.944
   63    H    GLN  10           H        GLN  10  -9.002  -2.447   1.572
   64    HA   GLN  10           HA       GLN  10  -6.834  -3.552   0.226
   65    HB2  GLN  10           2HB      GLN  10  -8.834  -2.983  -0.958
   66    HB3  GLN  10           1HB      GLN  10  -8.709  -1.292  -0.489
   67    HG2  GLN  10           2HG      GLN  10  -6.735  -1.033  -1.879
   68    HG3  GLN  10           1HG      GLN  10  -6.784  -2.746  -2.298
   69   HE21  GLN  10          1HE2      GLN  10  -6.755  -0.999  -4.316
   70   HE22  GLN  10          2HE2      GLN  10  -8.301  -0.904  -5.081
   71    H    SER  11           H        SER  11  -4.934  -2.682  -0.600
   72    HA   SER  11           HA       SER  11  -4.042  -0.206   0.723
   73    HB2  SER  11           2HB      SER  11  -2.829  -2.243   1.437
   74    HB3  SER  11           1HB      SER  11  -2.343  -2.522  -0.236
   75    HG   SER  11           HG       SER  11  -1.215  -0.553  -0.172
   76    H    LYS  12           H        LYS  12  -2.930   1.331  -0.440
   77    HA   LYS  12           HA       LYS  12  -3.586   1.575  -3.179
   78    HB2  LYS  12           2HB      LYS  12  -3.246   3.498  -1.656
   79    HB3  LYS  12           1HB      LYS  12  -1.532   3.117  -1.583
   80    HG2  LYS  12           2HG      LYS  12  -1.281   3.590  -3.933
   81    HG3  LYS  12           1HG      LYS  12  -3.018   3.847  -4.097
   82    HD2  LYS  12           2HD      LYS  12  -1.925   5.987  -3.968
   83    HD3  LYS  12           1HD      LYS  12  -2.841   5.724  -2.481
   84    HE2  LYS  12           2HE      LYS  12  -0.692   4.878  -1.458
   85    HE3  LYS  12           1HE      LYS  12   0.132   5.488  -2.892
   86    HZ1  LYS  12           1HZ      LYS  12  -1.644   7.317  -1.462
   87    HZ2  LYS  12           2HZ      LYS  12  -0.198   7.637  -2.282
   88    HZ3  LYS  12           3HZ      LYS  12  -0.160   6.944  -0.739
   89    H    GLY  13           H        GLY  13  -2.498   1.059  -4.988
   90    HA2  GLY  13           2HA      GLY  13   0.030   0.954  -5.712
   91    HA3  GLY  13           1HA      GLY  13  -0.013  -0.453  -4.661
   92    H    TYR  14           H        TYR  14   0.557  -0.367  -7.497
   93    HA   TYR  14           HA       TYR  14  -1.758  -1.373  -8.868
   94    HB2  TYR  14           2HB      TYR  14  -0.033  -0.128 -10.074
   95    HB3  TYR  14           1HB      TYR  14   1.146  -1.378  -9.693
   96    HD1  TYR  14           2HD      TYR  14  -1.909  -0.635 -11.631
   97    HD2  TYR  14           1HD      TYR  14   1.265  -3.388 -10.962
   98    HE1  TYR  14           2HE      TYR  14  -2.536  -1.845 -13.677
   99    HE2  TYR  14           1HE      TYR  14   0.647  -4.606 -13.006
  100    HH   TYR  14           HH       TYR  14  -1.924  -3.440 -15.136
  101    H    TRP  15           H        TRP  15  -2.486  -3.373  -8.774
  102    HA   TRP  15           HA       TRP  15  -0.852  -5.488  -7.598
  103    HB2  TRP  15           2HB      TRP  15  -2.935  -6.796  -7.579
  104    HB3  TRP  15           1HB      TRP  15  -3.158  -5.226  -6.810
  105    HD1  TRP  15           HD       TRP  15  -4.238  -7.247  -9.856
  106    HE1  TRP  15           1HE      TRP  15  -6.199  -6.038 -11.004
  107    HE3  TRP  15           3HE      TRP  15  -4.177  -2.891  -7.185
  108    HZ2  TRP  15           2HZ      TRP  15  -7.546  -3.561 -10.800
  109    HZ3  TRP  15           3HZ      TRP  15  -5.831  -1.153  -7.722
  110    HH2  TRP  15           HH       TRP  15  -7.481  -1.481  -9.491
  111    H    GLN  16           H        GLN  16   0.327  -6.798  -8.833
  112    HA   GLN  16           HA       GLN  16  -0.166  -6.984 -11.693
  113    HB2  GLN  16           2HB      GLN  16   2.149  -6.765 -10.769
  114    HB3  GLN  16           1HB      GLN  16   1.956  -8.338 -10.010
  115    HG2  GLN  16           2HG      GLN  16   1.711  -9.376 -12.196
  116    HG3  GLN  16           1HG      GLN  16   1.864  -7.800 -12.970
  117   HE21  GLN  16          1HE2      GLN  16   3.557  -9.586 -13.840
  118   HE22  GLN  16          2HE2      GLN  16   5.146  -9.357 -13.206
  119    H    GLU  17           H        GLU  17  -1.166  -8.540 -12.690
  120    HA   GLU  17           HA       GLU  17  -2.761 -10.384 -11.378
  121    HB2  GLU  17           2HB      GLU  17  -1.793 -10.409 -14.237
  122    HB3  GLU  17           1HB      GLU  17  -3.106 -11.400 -13.616
  123    HG2  GLU  17           2HG      GLU  17  -4.338  -9.354 -13.023
  124    HG3  GLU  17           1HG      GLU  17  -3.038  -8.394 -13.727
  125    H    ASP  18           H        ASP  18  -2.754 -12.644 -11.297
  126    HA   ASP  18           HA       ASP  18  -0.424 -13.927 -10.407
  127    HB2  ASP  18           2HB      ASP  18  -2.882 -14.591 -10.106
  128    HB3  ASP  18           1HB      ASP  18  -2.741 -15.357 -11.682
  129    H    GLU  19           H        GLU  19  -2.018 -13.988 -13.562
  130    HA   GLU  19           HA       GLU  19  -0.274 -15.847 -14.759
  131    HB2  GLU  19           2HB      GLU  19  -2.038 -13.728 -15.985
  132    HB3  GLU  19           1HB      GLU  19  -1.205 -14.968 -16.908
  133    HG2  GLU  19           2HG      GLU  19  -2.437 -16.695 -15.675
  134    HG3  GLU  19           1HG      GLU  19  -3.292 -15.434 -14.788
  135    H    ASP  20           H        ASP  20  -0.238 -12.304 -14.708
  136    HA   ASP  20           HA       ASP  20   1.943 -12.041 -16.489
  137    HB2  ASP  20           2HB      ASP  20   0.862 -10.158 -14.383
  138    HB3  ASP  20           1HB      ASP  20   2.131  -9.723 -15.524
  139    H    ALA  21           H        ALA  21   1.671 -12.455 -13.040
  140    HA   ALA  21           HA       ALA  21   4.611 -12.480 -12.812
  141    HB1  ALA  21           1HB      ALA  21   3.836 -12.389 -10.246
  142    HB2  ALA  21           2HB      ALA  21   2.465 -11.572 -10.994
  143    HB3  ALA  21           3HB      ALA  21   4.098 -10.947 -11.226
  144    HA   PRO  22           HA       PRO  22   3.204 -16.893 -12.333
  145    HB2  PRO  22           2HB      PRO  22   5.104 -17.952 -13.927
  146    HB3  PRO  22           1HB      PRO  22   3.598 -17.287 -14.565
  147    HG2  PRO  22           2HG      PRO  22   6.304 -16.009 -14.401
  148    HG3  PRO  22           1HG      PRO  22   5.169 -16.043 -15.764
  149    HD2  PRO  22           2HD      PRO  22   5.386 -13.910 -14.121
  150    HD3  PRO  22           1HD      PRO  22   3.843 -14.380 -14.865
  151    H    ALA  23           H        ALA  23   6.017 -15.078 -11.754
  152    HA   ALA  23           HA       ALA  23   6.951 -17.078  -9.815
  153    HB1  ALA  23           1HB      ALA  23   8.349 -16.314 -12.168
  154    HB2  ALA  23           2HB      ALA  23   8.876 -17.395 -10.877
  155    HB3  ALA  23           3HB      ALA  23   9.218 -15.668 -10.776
  156    H    CYS  24           H        CYS  24   8.178 -16.146  -8.028
  157    HA   CYS  24           HA       CYS  24   7.012 -13.812  -7.021
  158    HB2  CYS  24           2HB      CYS  24   8.130 -15.731  -5.756
  159    HB3  CYS  24           1HB      CYS  24   9.654 -14.915  -6.089
  160    HG   CYS  24           HG       CYS  24   9.044 -13.074  -4.494
  161    H    ASN  25           H        ASN  25   7.414 -11.755  -7.339
  162    HA   ASN  25           HA       ASN  25   9.318 -10.790  -9.151
  163    HB2  ASN  25           2HB      ASN  25   7.728  -9.386  -6.999
  164    HB3  ASN  25           1HB      ASN  25   8.721  -8.538  -8.182
  165   HD21  ASN  25          1HD2      ASN  25   5.746 -10.056  -7.551
  166   HD22  ASN  25          2HD2      ASN  25   5.046  -9.862  -9.119
  167    H    GLY  26           H        GLY  26   9.503 -11.440  -5.736
  168    HA2  GLY  26           2HA      GLY  26  11.927  -9.871  -5.412
  169    HA3  GLY  26           1HA      GLY  26  11.096 -10.778  -4.163
  170    H    CYS  27           H        CYS  27  11.100 -13.329  -4.935
  171    HA   CYS  27           HA       CYS  27  13.968 -13.901  -5.118
  172    HB2  CYS  27           2HB      CYS  27  13.503 -15.986  -3.989
  173    HB3  CYS  27           1HB      CYS  27  12.753 -14.666  -3.097
  174    HG   CYS  27           HG       CYS  27  10.816 -16.196  -3.173
  175    H    GLY  28           H        GLY  28  11.322 -13.967  -7.150
  176    HA2  GLY  28           2HA      GLY  28  11.112 -14.818  -9.262
  177    HA3  GLY  28           1HA      GLY  28  12.755 -15.419  -9.121
  178    H    CYS  29           H        CYS  29  10.751 -16.547  -6.609
  179    HA   CYS  29           HA       CYS  29  10.922 -19.224  -7.597
  180    HB2  CYS  29           2HB      CYS  29   9.994 -19.916  -5.556
  181    HB3  CYS  29           1HB      CYS  29  10.905 -18.468  -5.139
  182    HG   CYS  29           HG       CYS  29   8.068 -17.690  -5.626
  183    H    VAL  30           H        VAL  30   9.327 -20.564  -8.381
  184    HA   VAL  30           HA       VAL  30   7.197 -19.225  -9.780
  185    HB   VAL  30           HB       VAL  30   7.270 -22.183  -9.695
  186   HG11  VAL  30          1HG1      VAL  30   7.248 -21.353 -12.303
  187   HG12  VAL  30          2HG1      VAL  30   6.404 -20.045 -11.473
  188   HG13  VAL  30          3HG1      VAL  30   5.824 -21.703 -11.322
  189   HG21  VAL  30          1HG2      VAL  30   9.543 -22.101  -9.897
  190   HG22  VAL  30          2HG2      VAL  30   9.531 -20.484 -10.604
  191   HG23  VAL  30          3HG2      VAL  30   9.095 -21.882 -11.588
  192    H    PHE  31           H        PHE  31   5.062 -19.285  -9.416
  193    HA   PHE  31           HA       PHE  31   4.165 -20.167  -6.809
  194    HB2  PHE  31           2HB      PHE  31   2.745 -18.705  -9.043
  195    HB3  PHE  31           1HB      PHE  31   2.009 -19.095  -7.489
  196    HD1  PHE  31           2HD      PHE  31   2.927 -18.084  -5.411
  197    HD2  PHE  31           1HD      PHE  31   4.192 -16.863  -9.286
  198    HE1  PHE  31           2HE      PHE  31   3.856 -16.017  -4.454
  199    HE2  PHE  31           1HE      PHE  31   5.125 -14.796  -8.335
  200    HZ   PHE  31           HZ       PHE  31   4.957 -14.372  -5.915
  201    H    THR  32           H        THR  32   2.886 -21.826  -6.377
  202    HA   THR  32           HA       THR  32   1.844 -23.433  -8.614
  203    HB   THR  32           HB       THR  32   2.453 -25.472  -7.491
  204    HG1  THR  32           1HG      THR  32   3.243 -23.753  -5.397
  205   HG21  THR  32          1HG2      THR  32   4.601 -25.492  -8.082
  206   HG22  THR  32          2HG2      THR  32   5.013 -24.161  -7.002
  207   HG23  THR  32          3HG2      THR  32   4.318 -23.827  -8.588
  208    H    THR  33           H        THR  33   0.181 -25.059  -7.807
  209    HA   THR  33           HA       THR  33  -2.059 -23.816  -6.825
  210    HB   THR  33           HB       THR  33  -1.335 -26.722  -6.418
  211    HG1  THR  33           1HG      THR  33  -2.649 -25.464  -8.593
  212   HG21  THR  33          1HG2      THR  33  -3.482 -25.573  -5.355
  213   HG22  THR  33          2HG2      THR  33  -3.502 -27.209  -6.014
  214   HG23  THR  33          3HG2      THR  33  -4.104 -25.861  -6.980
  215    H    THR  34           H        THR  34   0.405 -25.549  -4.935
  216    HA   THR  34           HA       THR  34  -0.965 -25.264  -2.481
  217    HB   THR  34           HB       THR  34   1.997 -25.648  -2.964
  218    HG1  THR  34           1HG      THR  34  -0.103 -27.504  -2.550
  219   HG21  THR  34          1HG2      THR  34   2.232 -26.413  -0.766
  220   HG22  THR  34          2HG2      THR  34   0.487 -26.462  -0.507
  221   HG23  THR  34          3HG2      THR  34   1.316 -24.911  -0.637
  222    H    VAL  35           H        VAL  35   1.391 -23.190  -4.139
  223    HA   VAL  35           HA       VAL  35   1.449 -21.385  -1.862
  224    HB   VAL  35           HB       VAL  35   2.773 -21.179  -4.562
  225   HG11  VAL  35          1HG1      VAL  35   2.929 -19.398  -2.140
  226   HG12  VAL  35          2HG1      VAL  35   2.406 -18.964  -3.767
  227   HG13  VAL  35          3HG1      VAL  35   4.097 -19.358  -3.461
  228   HG21  VAL  35          1HG2      VAL  35   4.161 -22.683  -3.647
  229   HG22  VAL  35          2HG2      VAL  35   3.523 -22.422  -2.023
  230   HG23  VAL  35          3HG2      VAL  35   4.746 -21.329  -2.677
  231    H    ARG  36           H        ARG  36  -0.126 -20.045  -1.583
  232    HA   ARG  36           HA       ARG  36  -1.916 -19.201  -3.663
  233    HB2  ARG  36           2HB      ARG  36  -1.613 -18.276  -0.798
  234    HB3  ARG  36           1HB      ARG  36  -2.913 -17.787  -1.876
  235    HG2  ARG  36           2HG      ARG  36  -3.600 -20.149  -2.065
  236    HG3  ARG  36           1HG      ARG  36  -2.346 -20.577  -0.901
  237    HD2  ARG  36           2HD      ARG  36  -3.428 -18.972   0.701
  238    HD3  ARG  36           1HD      ARG  36  -4.761 -18.832  -0.445
  239    HE   ARG  36           HE       ARG  36  -5.515 -20.880   0.243
  240   HH11  ARG  36          1HH1      ARG  36  -2.218 -20.472   1.286
  241   HH12  ARG  36          2HH1      ARG  36  -2.206 -21.912   2.248
  242   HH21  ARG  36          1HH2      ARG  36  -5.512 -22.779   1.512
  243   HH22  ARG  36          2HH2      ARG  36  -4.081 -23.220   2.383
  244    H    ARG  37           H        ARG  37  -2.188 -17.129  -4.499
  245    HA   ARG  37           HA       ARG  37   0.266 -15.647  -4.804
  246    HB2  ARG  37           2HB      ARG  37  -1.239 -15.956  -6.710
  247    HB3  ARG  37           1HB      ARG  37  -2.515 -15.095  -5.858
  248    HG2  ARG  37           2HG      ARG  37  -1.240 -13.054  -5.919
  249    HG3  ARG  37           1HG      ARG  37   0.134 -13.899  -6.636
  250    HD2  ARG  37           2HD      ARG  37  -1.059 -12.703  -8.349
  251    HD3  ARG  37           1HD      ARG  37  -1.260 -14.434  -8.597
  252    HE   ARG  37           HE       ARG  37  -3.484 -14.121  -7.467
  253   HH11  ARG  37          1HH1      ARG  37  -1.944 -11.503  -9.209
  254   HH12  ARG  37          2HH1      ARG  37  -3.439 -10.709  -9.575
  255   HH21  ARG  37          1HH2      ARG  37  -5.441 -13.072  -7.955
  256   HH22  ARG  37          2HH2      ARG  37  -5.421 -11.597  -8.860
  257    H    HIS  38           H        HIS  38   0.740 -13.623  -4.037
  258    HA   HIS  38           HA       HIS  38  -1.236 -12.275  -2.365
  259    HB2  HIS  38           2HB      HIS  38   1.538 -13.006  -1.407
  260    HB3  HIS  38           1HB      HIS  38   0.394 -11.989  -0.536
  261    HD1  HIS  38           1HD      HIS  38  -1.919 -13.260   0.141
  262    HD2  HIS  38           2HD      HIS  38   1.326 -15.659  -0.848
  263    HE1  HIS  38           1HE      HIS  38  -2.462 -15.538   1.059
  264    HE2  HIS  38           2HE      HIS  38  -0.535 -16.998   0.349
  265    H    HIS  39           H        HIS  39  -0.532 -10.065  -1.746
  266    HA   HIS  39           HA       HIS  39   1.372  -8.932  -3.695
  267    HB2  HIS  39           2HB      HIS  39  -1.354  -7.855  -2.963
  268    HB3  HIS  39           1HB      HIS  39  -0.159  -6.971  -3.905
  269    HD1  HIS  39           1HD      HIS  39  -2.563  -9.826  -4.120
  270    HD2  HIS  39           2HD      HIS  39   0.122  -7.800  -6.561
  271    HE1  HIS  39           1HE      HIS  39  -3.060 -10.606  -6.458
  272    HE2  HIS  39           2HE      HIS  39  -1.502  -9.278  -7.927
  273    H    CYS  40           H        CYS  40   2.514  -7.099  -3.071
  274    HA   CYS  40           HA       CYS  40   2.721  -6.668  -0.189
  275    HB2  CYS  40           2HB      CYS  40   4.826  -7.021  -1.279
  276    HB3  CYS  40           1HB      CYS  40   4.422  -5.899  -2.573
  277    HG   CYS  40           HG       CYS  40   4.813  -4.748   0.273
  278    H    ARG  41           H        ARG  41   2.132  -4.785   0.772
  279    HA   ARG  41           HA       ARG  41   0.258  -3.128  -0.541
  280    HB2  ARG  41           2HB      ARG  41   1.616  -2.797   2.135
  281    HB3  ARG  41           1HB      ARG  41   0.228  -1.866   1.590
  282    HG2  ARG  41           2HG      ARG  41  -1.079  -3.947   1.437
  283    HG3  ARG  41           1HG      ARG  41   0.312  -4.840   2.054
  284    HD2  ARG  41           2HD      ARG  41   0.241  -3.316   4.065
  285    HD3  ARG  41           1HD      ARG  41  -1.313  -2.738   3.471
  286    HE   ARG  41           HE       ARG  41  -0.731  -5.352   4.610
  287   HH11  ARG  41          1HH1      ARG  41  -3.022  -3.284   2.984
  288   HH12  ARG  41          2HH1      ARG  41  -4.391  -4.252   3.414
  289   HH21  ARG  41          1HH2      ARG  41  -2.535  -6.623   5.182
  290   HH22  ARG  41          2HH2      ARG  41  -4.115  -6.146   4.657
  291    H    ASN  42           H        ASN  42   3.592  -2.997  -0.665
  292    HA   ASN  42           HA       ASN  42   3.649  -0.084  -0.964
  293    HB2  ASN  42           2HB      ASN  42   5.667  -2.127  -0.225
  294    HB3  ASN  42           1HB      ASN  42   6.241  -0.758  -1.165
  295   HD21  ASN  42          1HD2      ASN  42   7.482  -0.101   0.608
  296   HD22  ASN  42          2HD2      ASN  42   6.753   0.713   1.943
  297    H    CYS  43           H        CYS  43   5.417  -2.730  -2.547
  298    HA   CYS  43           HA       CYS  43   5.660  -1.233  -4.955
  299    HB2  CYS  43           2HB      CYS  43   6.761  -3.267  -5.836
  300    HB3  CYS  43           1HB      CYS  43   7.426  -2.745  -4.294
  301    HG   CYS  43           HG       CYS  43   6.032  -4.725  -3.187
  302    H    GLY  44           H        GLY  44   3.404  -3.595  -3.784
  303    HA2  GLY  44           2HA      GLY  44   1.370  -4.222  -4.678
  304    HA3  GLY  44           1HA      GLY  44   1.673  -3.127  -6.019
  305    H    TYR  45           H        TYR  45   4.096  -5.457  -5.311
  306    HA   TYR  45           HA       TYR  45   3.433  -6.868  -7.786
  307    HB2  TYR  45           2HB      TYR  45   5.960  -6.977  -6.132
  308    HB3  TYR  45           1HB      TYR  45   5.716  -7.749  -7.692
  309    HD1  TYR  45           2HD      TYR  45   4.342  -5.573  -9.175
  310    HD2  TYR  45           1HD      TYR  45   7.679  -5.447  -6.538
  311    HE1  TYR  45           2HE      TYR  45   5.159  -3.551 -10.313
  312    HE2  TYR  45           1HE      TYR  45   8.503  -3.425  -7.670
  313    HH   TYR  45           HH       TYR  45   6.660  -1.561  -9.675
  314    H    VAL  46           H        VAL  46   3.728  -9.195  -7.847
  315    HA   VAL  46           HA       VAL  46   2.313 -10.401  -5.659
  316    HB   VAL  46           HB       VAL  46   3.444 -11.677  -8.154
  317   HG11  VAL  46          1HG1      VAL  46   1.583 -12.808  -6.067
  318   HG12  VAL  46          2HG1      VAL  46   3.251 -13.301  -6.352
  319   HG13  VAL  46          3HG1      VAL  46   2.021 -13.595  -7.584
  320   HG21  VAL  46          1HG2      VAL  46   1.655 -10.864  -9.191
  321   HG22  VAL  46          2HG2      VAL  46   1.146 -10.060  -7.707
  322   HG23  VAL  46          3HG2      VAL  46   0.609 -11.706  -8.048
  323    H    LEU  47           H        LEU  47   3.106 -11.518  -3.996
  324    HA   LEU  47           HA       LEU  47   5.888 -12.473  -4.129
  325    HB2  LEU  47           2HB      LEU  47   4.558 -10.992  -1.856
  326    HB3  LEU  47           1HB      LEU  47   6.044 -11.897  -1.670
  327    HG   LEU  47           HG       LEU  47   6.351  -9.446  -1.879
  328   HD11  LEU  47          1HD1      LEU  47   7.938  -9.851  -4.043
  329   HD12  LEU  47          2HD1      LEU  47   7.673 -11.498  -3.471
  330   HD13  LEU  47          3HD1      LEU  47   8.346 -10.286  -2.384
  331   HD21  LEU  47          1HD2      LEU  47   4.495  -9.513  -3.812
  332   HD22  LEU  47          2HD2      LEU  47   5.962  -9.529  -4.790
  333   HD23  LEU  47          3HD2      LEU  47   5.684  -8.223  -3.637
  334    H    CYS  48           H        CYS  48   6.267 -14.431  -3.188
  335    HA   CYS  48           HA       CYS  48   3.964 -16.045  -2.533
  336    HB2  CYS  48           2HB      CYS  48   5.365 -17.884  -2.708
  337    HB3  CYS  48           1HB      CYS  48   6.230 -16.739  -3.730
  338    HG   CYS  48           HG       CYS  48   7.178 -16.869  -0.812
  339    H    GLY  49           H        GLY  49   4.235 -17.477  -0.408
  340    HA2  GLY  49           2HA      GLY  49   3.917 -15.816   1.766
  341    HA3  GLY  49           1HA      GLY  49   4.366 -17.510   1.888
  342    H    ASP  50           H        ASP  50   6.846 -17.655   0.938
  343    HA   ASP  50           HA       ASP  50   8.452 -16.769   3.022
  344    HB2  ASP  50           2HB      ASP  50   9.102 -17.733   0.250
  345    HB3  ASP  50           1HB      ASP  50  10.367 -17.268   1.381
  346    H    CYS  51           H        CYS  51   7.762 -15.179  -0.016
  347    HA   CYS  51           HA       CYS  51   9.738 -13.121   0.536
  348    HB2  CYS  51           2HB      CYS  51   8.094 -13.887  -1.811
  349    HB3  CYS  51           1HB      CYS  51   8.532 -12.187  -1.667
  350    HG   CYS  51           HG       CYS  51  10.564 -12.974  -2.831
  351    H    SER  52           H        SER  52   6.712 -13.736   1.595
  352    HA   SER  52           HA       SER  52   6.165 -10.890   2.045
  353    HB2  SER  52           2HB      SER  52   3.851 -11.136   1.613
  354    HB3  SER  52           1HB      SER  52   4.639 -11.987   0.284
  355    HG   SER  52           HG       SER  52   2.891 -12.948   2.023
  356    H    ARG  53           H        ARG  53   7.468 -13.073   3.578
  357    HA   ARG  53           HA       ARG  53   5.628 -13.727   5.698
  358    HB2  ARG  53           2HB      ARG  53   8.575 -14.221   5.304
  359    HB3  ARG  53           1HB      ARG  53   7.759 -14.620   6.809
  360    HG2  ARG  53           2HG      ARG  53   6.211 -16.068   5.489
  361    HG3  ARG  53           1HG      ARG  53   7.234 -15.766   4.086
  362    HD2  ARG  53           2HD      ARG  53   7.876 -17.855   5.081
  363    HD3  ARG  53           1HD      ARG  53   9.161 -16.676   5.337
  364    HE   ARG  53           HE       ARG  53   7.340 -16.771   7.531
  365   HH11  ARG  53          1HH1      ARG  53  10.065 -18.383   6.084
  366   HH12  ARG  53          2HH1      ARG  53  10.627 -19.053   7.579
  367   HH21  ARG  53          1HH2      ARG  53   8.070 -17.646   9.504
  368   HH22  ARG  53          2HH2      ARG  53   9.491 -18.635   9.526
  369    H    HIS  54           H        HIS  54   7.766 -11.116   4.972
  370    HA   HIS  54           HA       HIS  54   8.219 -10.355   7.696
  371    HB2  HIS  54           2HB      HIS  54   8.684  -8.947   5.070
  372    HB3  HIS  54           1HB      HIS  54   9.022  -8.189   6.617
  373    HD1  HIS  54           1HD      HIS  54  10.959  -9.250   8.047
  374    HD2  HIS  54           2HD      HIS  54  10.585 -10.746   4.192
  375    HE1  HIS  54           1HE      HIS  54  13.111 -10.465   7.590
  376    HE2  HIS  54           2HE      HIS  54  12.905 -11.267   5.211
  377    H    ARG  55           H        ARG  55   7.614  -8.184   8.481
  378    HA   ARG  55           HA       ARG  55   5.051  -7.208   7.484
  379    HB2  ARG  55           2HB      ARG  55   5.526  -7.943  10.380
  380    HB3  ARG  55           1HB      ARG  55   4.071  -7.197   9.724
  381    HG2  ARG  55           2HG      ARG  55   3.713  -9.195   8.326
  382    HG3  ARG  55           1HG      ARG  55   5.114  -9.947   9.089
  383    HD2  ARG  55           2HD      ARG  55   2.552  -9.090  10.424
  384    HD3  ARG  55           1HD      ARG  55   3.118 -10.740  10.169
  385    HE   ARG  55           HE       ARG  55   3.836  -9.010  12.302
  386   HH11  ARG  55          1HH1      ARG  55   5.076 -11.519  10.224
  387   HH12  ARG  55          2HH1      ARG  55   6.270 -12.050  11.361
  388   HH21  ARG  55          1HH2      ARG  55   5.408  -9.701  13.805
  389   HH22  ARG  55          2HH2      ARG  55   6.456 -11.019  13.398
  390    H    ALA  56           H        ALA  56   4.871  -5.051   7.591
  391    HA   ALA  56           HA       ALA  56   6.381  -3.462   9.471
  392    HB1  ALA  56           1HB      ALA  56   8.024  -4.076   7.647
  393    HB2  ALA  56           2HB      ALA  56   7.850  -2.357   7.999
  394    HB3  ALA  56           3HB      ALA  56   7.071  -3.050   6.576
  395    H    ALA  57           H        ALA  57   5.842  -1.207   9.439
  396    HA   ALA  57           HA       ALA  57   3.190  -0.727   8.369
  397    HB1  ALA  57           1HB      ALA  57   4.966   1.031  10.066
  398    HB2  ALA  57           2HB      ALA  57   3.692  -0.032  10.663
  399    HB3  ALA  57           3HB      ALA  57   3.283   1.356   9.654
  400    H    ILE  58           H        ILE  58   2.730   1.238   7.116
  401    HA   ILE  58           HA       ILE  58   5.030   2.203   5.573
  402    HB   ILE  58           HB       ILE  58   2.428   1.761   4.184
  403   HG12  ILE  58          2HG1      ILE  58   4.492  -0.395   4.703
  404   HG13  ILE  58          1HG1      ILE  58   2.841  -0.374   5.313
  405   HG21  ILE  58          1HG2      ILE  58   3.739   1.716   2.257
  406   HG22  ILE  58          2HG2      ILE  58   5.207   1.325   3.147
  407   HG23  ILE  58          3HG2      ILE  58   4.510   2.941   3.260
  408   HD11  ILE  58          1HD1      ILE  58   2.641  -0.121   2.531
  409   HD12  ILE  58          2HD1      ILE  58   2.236  -1.521   3.525
  410   HD13  ILE  58          3HD1      ILE  58   3.850  -1.368   2.831
  411    HA   PRO  59           HA       PRO  59   2.444   5.624   7.343
  412    HB2  PRO  59           2HB      PRO  59   4.588   7.226   7.901
  413    HB3  PRO  59           1HB      PRO  59   3.935   6.021   9.015
  414    HG2  PRO  59           2HG      PRO  59   6.286   5.816   7.169
  415    HG3  PRO  59           1HG      PRO  59   6.125   5.259   8.846
  416    HD2  PRO  59           2HD      PRO  59   5.918   3.569   6.760
  417    HD3  PRO  59           1HD      PRO  59   4.955   3.358   8.237
  418    H    MET  60           H        MET  60   4.552   5.373   4.615
  419    HA   MET  60           HA       MET  60   4.078   8.120   3.778
  420    HB2  MET  60           2HB      MET  60   5.430   5.791   2.392
  421    HB3  MET  60           1HB      MET  60   5.328   7.424   1.746
  422    HG2  MET  60           2HG      MET  60   6.562   8.217   3.764
  423    HG3  MET  60           1HG      MET  60   6.792   6.528   4.212
  424    HE1  MET  60           1HE      MET  60   8.040   9.475   1.951
  425    HE2  MET  60           2HE      MET  60   6.901   8.610   0.918
  426    HE3  MET  60           3HE      MET  60   8.622   8.606   0.531
  427    H    ARG  61           H        ARG  61   3.074   4.858   3.100
  428    HA   ARG  61           HA       ARG  61   1.290   5.619   0.949
  429    HB2  ARG  61           2HB      ARG  61   1.476   2.962   2.364
  430    HB3  ARG  61           1HB      ARG  61   0.791   3.280   0.777
  431    HG2  ARG  61           2HG      ARG  61   3.690   3.546   1.538
  432    HG3  ARG  61           1HG      ARG  61   2.978   2.244   0.585
  433    HD2  ARG  61           2HD      ARG  61   2.920   5.150  -0.202
  434    HD3  ARG  61           1HD      ARG  61   4.138   4.001  -0.754
  435    HE   ARG  61           HE       ARG  61   1.436   3.162  -1.261
  436   HH11  ARG  61          1HH1      ARG  61   4.131   5.017  -2.449
  437   HH12  ARG  61          2HH1      ARG  61   3.638   4.919  -4.106
  438   HH21  ARG  61          1HH2      ARG  61   0.780   3.016  -3.441
  439   HH22  ARG  61          2HH2      ARG  61   1.734   3.776  -4.671
  440    H    GLY  62           H        GLY  62   1.130   6.088   4.124
  441    HA2  GLY  62           2HA      GLY  62  -0.751   6.947   5.257
  442    HA3  GLY  62           1HA      GLY  62  -1.791   6.117   4.109
  443    H    ILE  63           H        ILE  63   0.635   4.057   5.173
  444    HA   ILE  63           HA       ILE  63  -1.254   2.698   6.943
  445    HB   ILE  63           HB       ILE  63   1.367   1.725   5.784
  446   HG12  ILE  63          2HG1      ILE  63  -1.445   1.003   4.939
  447   HG13  ILE  63          1HG1      ILE  63  -0.461   2.208   4.115
  448   HG21  ILE  63          1HG2      ILE  63   0.814   0.557   7.824
  449   HG22  ILE  63          2HG2      ILE  63   0.557  -0.510   6.443
  450   HG23  ILE  63          3HG2      ILE  63  -0.822   0.251   7.241
  451   HD11  ILE  63          1HD1      ILE  63   0.675   0.657   3.006
  452   HD12  ILE  63          2HD1      ILE  63  -0.587  -0.462   3.521
  453   HD13  ILE  63          3HD1      ILE  63   0.908  -0.330   4.448
  454    H    THR  64           H        THR  64  -1.087   3.567   8.949
  455    HA   THR  64           HA       THR  64   1.503   4.264  10.052
  456    HB   THR  64           HB       THR  64   0.148   4.977  12.044
  457    HG1  THR  64           1HG      THR  64  -1.633   3.537  11.569
  458   HG21  THR  64          1HG2      THR  64   0.632   6.387   9.882
  459   HG22  THR  64          2HG2      THR  64  -0.434   6.986  11.155
  460   HG23  THR  64          3HG2      THR  64  -1.118   6.270   9.695
  461    H    GLU  65           H        GLU  65  -0.591   1.568  10.073
  462    HA   GLU  65           HA       GLU  65   0.708   0.469  12.470
  463    HB2  GLU  65           2HB      GLU  65  -1.769  -0.375  10.957
  464    HB3  GLU  65           1HB      GLU  65  -1.057  -1.334  12.247
  465    HG2  GLU  65           2HG      GLU  65  -1.350   0.628  13.759
  466    HG3  GLU  65           1HG      GLU  65  -2.242   1.418  12.459
  467    HA   PRO  66           HA       PRO  66   3.335  -2.039  10.025
  468    HB2  PRO  66           2HB      PRO  66   3.345  -4.373  11.531
  469    HB3  PRO  66           1HB      PRO  66   4.362  -2.964  11.846
  470    HG2  PRO  66           2HG      PRO  66   1.796  -3.776  13.138
  471    HG3  PRO  66           1HG      PRO  66   3.235  -3.037  13.864
  472    HD2  PRO  66           2HD      PRO  66   1.009  -1.614  13.331
  473    HD3  PRO  66           1HD      PRO  66   2.633  -0.907  13.192
  474    H    GLU  67           H        GLU  67   2.794  -2.905   8.174
  475    HA   GLU  67           HA       GLU  67   0.668  -4.933   8.082
  476    HB2  GLU  67           2HB      GLU  67   1.229  -2.749   6.069
  477    HB3  GLU  67           1HB      GLU  67   0.041  -4.024   5.863
  478    HG2  GLU  67           2HG      GLU  67   0.003  -1.930   8.019
  479    HG3  GLU  67           1HG      GLU  67  -0.979  -1.922   6.556
  480    H    ARG  68           H        ARG  68   0.784  -6.256   6.029
  481    HA   ARG  68           HA       ARG  68   3.370  -7.416   5.848
  482    HB2  ARG  68           2HB      ARG  68   2.362  -8.970   4.276
  483    HB3  ARG  68           1HB      ARG  68   1.335  -8.745   5.687
  484    HG2  ARG  68           2HG      ARG  68  -0.001  -7.108   4.338
  485    HG3  ARG  68           1HG      ARG  68   0.945  -7.601   2.932
  486    HD2  ARG  68           2HD      ARG  68   0.215  -9.934   3.315
  487    HD3  ARG  68           1HD      ARG  68  -0.803  -9.368   4.638
  488    HE   ARG  68           HE       ARG  68  -1.513  -7.886   2.415
  489   HH11  ARG  68          1HH1      ARG  68  -1.486 -11.237   3.358
  490   HH12  ARG  68          2HH1      ARG  68  -2.851 -11.659   2.378
  491   HH21  ARG  68          1HH2      ARG  68  -3.319  -8.430   1.125
  492   HH22  ARG  68          2HH2      ARG  68  -3.888 -10.066   1.106
  493    H    VAL  69           H        VAL  69   4.872  -7.354   4.337
  494    HA   VAL  69           HA       VAL  69   4.473  -5.933   1.813
  495    HB   VAL  69           HB       VAL  69   6.581  -4.665   2.102
  496   HG11  VAL  69          1HG1      VAL  69   5.417  -2.889   2.773
  497   HG12  VAL  69          2HG1      VAL  69   5.076  -3.597   4.354
  498   HG13  VAL  69          3HG1      VAL  69   4.064  -4.006   2.966
  499   HG21  VAL  69          1HG2      VAL  69   6.461  -5.927   4.804
  500   HG22  VAL  69          2HG2      VAL  69   7.181  -4.327   4.629
  501   HG23  VAL  69          3HG2      VAL  69   7.840  -5.694   3.727
  502    H    CYS  70           H        CYS  70   6.796  -6.026   0.658
  503    HA   CYS  70           HA       CYS  70   7.587  -8.835   0.786
  504    HB2  CYS  70           2HB      CYS  70   8.445  -8.606  -1.419
  505    HB3  CYS  70           1HB      CYS  70   6.898  -7.776  -1.408
  506    HG   CYS  70           HG       CYS  70   9.119  -6.503  -2.523
  507    H    ASP  71           H        ASP  71  10.136  -8.800  -0.143
  508    HA   ASP  71           HA       ASP  71  11.534  -7.923   2.195
  509    HB2  ASP  71           2HB      ASP  71  12.568  -9.127  -0.380
  510    HB3  ASP  71           1HB      ASP  71  13.555  -8.832   1.048
  511    H    ALA  72           H        ALA  72  11.530  -6.770  -1.173
  512    HA   ALA  72           HA       ALA  72  13.584  -4.856  -0.755
  513    HB1  ALA  72           1HB      ALA  72  11.519  -4.369  -2.833
  514    HB2  ALA  72           2HB      ALA  72  12.502  -5.828  -2.965
  515    HB3  ALA  72           3HB      ALA  72  13.276  -4.243  -2.929
  516    H    CYS  73           H        CYS  73  10.054  -4.595  -0.707
  517    HA   CYS  73           HA       CYS  73   9.955  -1.815  -0.243
  518    HB2  CYS  73           2HB      CYS  73   7.948  -3.968   0.460
  519    HB3  CYS  73           1HB      CYS  73   7.626  -2.236   0.486
  520    HG   CYS  73           HG       CYS  73   7.484  -3.984  -1.934
  521    H    TYR  74           H        TYR  74  10.051  -4.609   1.927
  522    HA   TYR  74           HA       TYR  74   9.628  -3.270   4.342
  523    HB2  TYR  74           2HB      TYR  74   9.701  -5.730   4.167
  524    HB3  TYR  74           1HB      TYR  74  11.420  -5.655   3.793
  525    HD1  TYR  74           2HD      TYR  74   9.446  -3.853   6.397
  526    HD2  TYR  74           1HD      TYR  74  12.503  -6.692   5.565
  527    HE1  TYR  74           2HE      TYR  74   9.963  -3.992   8.799
  528    HE2  TYR  74           1HE      TYR  74  13.027  -6.839   7.963
  529    HH   TYR  74           HH       TYR  74  11.018  -5.698  10.363
  530    H    LEU  75           H        LEU  75  12.539  -3.771   2.432
  531    HA   LEU  75           HA       LEU  75  14.364  -2.557   4.233
  532    HB2  LEU  75           2HB      LEU  75  14.378  -3.371   1.380
  533    HB3  LEU  75           1HB      LEU  75  15.607  -2.248   1.912
  534    HG   LEU  75           HG       LEU  75  15.152  -4.857   3.329
  535   HD11  LEU  75          1HD1      LEU  75  17.426  -5.025   1.664
  536   HD12  LEU  75          2HD1      LEU  75  16.071  -4.520   0.655
  537   HD13  LEU  75          3HD1      LEU  75  15.957  -5.998   1.610
  538   HD21  LEU  75          1HD2      LEU  75  16.794  -2.628   3.788
  539   HD22  LEU  75          2HD2      LEU  75  17.853  -3.905   3.190
  540   HD23  LEU  75          3HD2      LEU  75  16.841  -4.189   4.607
  541    H    ALA  76           H        ALA  76  12.734  -1.272   1.340
  542    HA   ALA  76           HA       ALA  76  13.932   1.235   1.379
  543    HB1  ALA  76           1HB      ALA  76  11.664   0.019   0.042
  544    HB2  ALA  76           2HB      ALA  76  12.795   1.240  -0.538
  545    HB3  ALA  76           3HB      ALA  76  11.383   1.723   0.403
  546    H    LEU  77           H        LEU  77  10.970   0.158   3.012
  547    HA   LEU  77           HA       LEU  77  10.308   2.697   4.075
  548    HB2  LEU  77           2HB      LEU  77   9.616  -0.090   4.993
  549    HB3  LEU  77           1HB      LEU  77   8.952   1.359   5.718
  550    HG   LEU  77           HG       LEU  77   8.611   0.646   2.807
  551   HD11  LEU  77          1HD1      LEU  77   6.856  -0.647   3.280
  552   HD12  LEU  77          2HD1      LEU  77   6.265   0.460   4.520
  553   HD13  LEU  77          3HD1      LEU  77   7.511  -0.724   4.916
  554   HD21  LEU  77          1HD2      LEU  77   8.378   3.023   3.304
  555   HD22  LEU  77          2HD2      LEU  77   7.214   2.654   4.575
  556   HD23  LEU  77          3HD2      LEU  77   6.816   2.317   2.890
  557    H    ARG  78           H        ARG  78  12.257   0.014   5.242
  558    HA   ARG  78           HA       ARG  78  12.706   0.933   7.852
  559    HB2  ARG  78           2HB      ARG  78  14.347  -0.852   6.060
  560    HB3  ARG  78           1HB      ARG  78  14.697  -0.588   7.762
  561    HG2  ARG  78           2HG      ARG  78  12.720  -1.654   8.446
  562    HG3  ARG  78           1HG      ARG  78  12.041  -1.612   6.820
  563    HD2  ARG  78           2HD      ARG  78  12.750  -3.819   7.047
  564    HD3  ARG  78           1HD      ARG  78  14.069  -3.056   6.166
  565    HE   ARG  78           HE       ARG  78  14.655  -2.879   8.884
  566   HH11  ARG  78          1HH1      ARG  78  14.278  -5.317   6.425
  567   HH12  ARG  78          2HH1      ARG  78  15.359  -6.436   7.187
  568   HH21  ARG  78          1HH2      ARG  78  16.078  -4.346   9.895
  569   HH22  ARG  78          2HH2      ARG  78  16.380  -5.884   9.160
  570    H    SER  79           H        SER  79  13.773   2.261   4.924
  571    HA   SER  79           HA       SER  79  16.390   3.047   5.529
  572    HB2  SER  79           2HB      SER  79  16.133   4.714   3.794
  573    HB3  SER  79           1HB      SER  79  15.296   3.248   3.284
  574    HG   SER  79           HG       SER  79  13.943   4.975   2.908
  575    H    SER  80           H        SER  80  13.303   4.303   6.558
  576    HA   SER  80           HA       SER  80  14.158   6.827   7.471
  577    HB2  SER  80           2HB      SER  80  12.086   6.903   8.714
  578    HB3  SER  80           1HB      SER  80  11.772   6.143   7.155
  579    HG   SER  80           HG       SER  80  12.054   4.884   9.678
  580    H    ASN  81           H        ASN  81  14.363   3.631   8.836
  581    HA   ASN  81           HA       ASN  81  15.234   4.678  11.420
  582    HB2  ASN  81           2HB      ASN  81  13.623   2.724  11.212
  583    HB3  ASN  81           1HB      ASN  81  14.987   1.776  10.624
  584   HD21  ASN  81          1HD2      ASN  81  13.916   0.736  12.719
  585   HD22  ASN  81          2HD2      ASN  81  14.801   1.052  14.169
  586    H    MET  82           H        MET  82  17.310   4.981  11.863
  587    HA   MET  82           HA       MET  82  19.335   4.049  10.019
  588    HB2  MET  82           2HB      MET  82  19.503   5.751  12.509
  589    HB3  MET  82           1HB      MET  82  20.877   5.366  11.482
  590    HG2  MET  82           2HG      MET  82  19.704   6.457   9.592
  591    HG3  MET  82           1HG      MET  82  18.429   6.936  10.711
  592    HE1  MET  82           1HE      MET  82  20.153   7.568  13.344
  593    HE2  MET  82           2HE      MET  82  18.812   8.559  12.770
  594    HE3  MET  82           3HE      MET  82  20.361   9.310  13.157
  595    H    ALA  83           H        ALA  83  20.748   2.435  10.336
  596    HA   ALA  83           HA       ALA  83  20.266   0.483  12.313
  597    HB1  ALA  83           1HB      ALA  83  22.918   0.501  11.019
  598    HB2  ALA  83           2HB      ALA  83  21.524   0.455   9.941
  599    HB3  ALA  83           3HB      ALA  83  21.733  -0.797  11.165
  600    H    GLY  84           H        GLY  84  21.422  -0.098  14.153
  601    HA2  GLY  84           2HA      GLY  84  23.701   0.462  15.270
  602    HA3  GLY  84           1HA      GLY  84  23.020   2.082  15.311
  Start of MODEL   19
    1    H1   GLY   1           1HT      GLY   1 -20.136  15.899  -7.371
    2    H2   GLY   1           2HT      GLY   1 -21.668  15.416  -6.844
    3    H3   GLY   1           3HT      GLY   1 -20.351  14.367  -6.685
    4    HA2  GLY   1           1HA      GLY   1 -20.530  16.992  -5.319
    5    HA3  GLY   1           2HA      GLY   1 -21.044  15.484  -4.581
    6    HA   PRO   2           HA       PRO   2 -16.773  16.064  -3.025
    7    HB2  PRO   2           2HB      PRO   2 -17.754  13.795  -1.369
    8    HB3  PRO   2           1HB      PRO   2 -16.918  15.270  -0.875
    9    HG2  PRO   2           2HG      PRO   2 -19.531  14.973  -0.444
   10    HG3  PRO   2           1HG      PRO   2 -18.855  16.542  -0.918
   11    HD2  PRO   2           2HD      PRO   2 -20.379  14.560  -2.549
   12    HD3  PRO   2           1HD      PRO   2 -20.413  16.335  -2.603
   13    H    LEU   3           H        LEU   3 -14.915  14.830  -3.251
   14    HA   LEU   3           HA       LEU   3 -15.062  12.679  -5.158
   15    HB2  LEU   3           2HB      LEU   3 -12.665  13.756  -3.672
   16    HB3  LEU   3           1HB      LEU   3 -12.625  12.703  -5.072
   17    HG   LEU   3           HG       LEU   3 -13.590  15.563  -5.018
   18   HD11  LEU   3          1HD1      LEU   3 -11.018  14.569  -5.156
   19   HD12  LEU   3          2HD1      LEU   3 -11.549  16.170  -5.674
   20   HD13  LEU   3          3HD1      LEU   3 -11.448  14.853  -6.842
   21   HD21  LEU   3          1HD2      LEU   3 -14.890  14.831  -6.712
   22   HD22  LEU   3          2HD2      LEU   3 -13.912  13.388  -6.984
   23   HD23  LEU   3          3HD2      LEU   3 -13.386  14.946  -7.625
   24    H    GLY   4           H        GLY   4 -14.419  10.527  -4.841
   25    HA2  GLY   4           2HA      GLY   4 -13.498   9.546  -2.334
   26    HA3  GLY   4           1HA      GLY   4 -15.229   9.294  -2.496
   27    H    SER   5           H        SER   5 -14.950   7.046  -2.470
   28    HA   SER   5           HA       SER   5 -13.245   5.598  -4.152
   29    HB2  SER   5           2HB      SER   5 -14.582   3.663  -3.597
   30    HB3  SER   5           1HB      SER   5 -14.465   4.680  -2.160
   31    HG   SER   5           HG       SER   5 -16.659   4.262  -3.872
   32    H    MET   6           H        MET   6 -16.186   7.256  -4.816
   33    HA   MET   6           HA       MET   6 -17.255   5.849  -6.938
   34    HB2  MET   6           2HB      MET   6 -18.239   7.884  -5.878
   35    HB3  MET   6           1HB      MET   6 -17.056   8.858  -6.744
   36    HG2  MET   6           2HG      MET   6 -18.893   9.040  -8.101
   37    HG3  MET   6           1HG      MET   6 -18.031   7.697  -8.850
   38    HE1  MET   6           1HE      MET   6 -20.947   9.165  -7.613
   39    HE2  MET   6           2HE      MET   6 -21.308   8.197  -6.183
   40    HE3  MET   6           3HE      MET   6 -22.206   7.931  -7.678
   41    H    GLY   7           H        GLY   7 -14.545   8.120  -6.929
   42    HA2  GLY   7           2HA      GLY   7 -14.207   7.962  -9.794
   43    HA3  GLY   7           1HA      GLY   7 -13.148   8.790  -8.661
   44    H    GLU   8           H        GLU   8 -13.098   6.478 -10.881
   45    HA   GLU   8           HA       GLU   8 -11.739   4.383  -9.472
   46    HB2  GLU   8           2HB      GLU   8 -13.069   3.997 -11.541
   47    HB3  GLU   8           1HB      GLU   8 -11.853   4.883 -12.452
   48    HG2  GLU   8           2HG      GLU   8 -10.171   3.223 -11.805
   49    HG3  GLU   8           1HG      GLU   8 -11.409   2.326 -10.926
   50    H    LYS   9           H        LYS   9 -10.759   7.426 -10.173
   51    HA   LYS   9           HA       LYS   9  -8.163   7.035 -11.223
   52    HB2  LYS   9           2HB      LYS   9  -9.121   9.242  -9.383
   53    HB3  LYS   9           1HB      LYS   9  -7.683   9.285 -10.395
   54    HG2  LYS   9           2HG      LYS   9 -10.508   9.087 -11.421
   55    HG3  LYS   9           1HG      LYS   9  -9.558  10.572 -11.331
   56    HD2  LYS   9           2HD      LYS   9  -7.858   9.490 -12.802
   57    HD3  LYS   9           1HD      LYS   9  -8.955   8.120 -12.983
   58    HE2  LYS   9           2HE      LYS   9 -10.518  10.350 -13.547
   59    HE3  LYS   9           1HE      LYS   9  -8.967  10.696 -14.310
   60    HZ1  LYS   9           1HZ      LYS   9 -10.822   9.331 -15.539
   61    HZ2  LYS   9           2HZ      LYS   9 -10.127   8.038 -14.700
   62    HZ3  LYS   9           3HZ      LYS   9  -9.183   8.966 -15.750
   63    H    GLN  10           H        GLN  10  -9.550   6.074  -8.366
   64    HA   GLN  10           HA       GLN  10  -7.514   6.421  -6.462
   65    HB2  GLN  10           2HB      GLN  10  -9.772   5.826  -5.827
   66    HB3  GLN  10           1HB      GLN  10  -9.680   4.330  -6.749
   67    HG2  GLN  10           2HG      GLN  10  -7.972   3.492  -5.222
   68    HG3  GLN  10           1HG      GLN  10  -8.051   4.997  -4.305
   69   HE21  GLN  10          1HE2      GLN  10  -8.449   2.752  -2.938
   70   HE22  GLN  10          2HE2      GLN  10 -10.114   2.549  -2.528
   71    H    SER  11           H        SER  11  -5.794   5.129  -5.863
   72    HA   SER  11           HA       SER  11  -5.288   2.527  -6.720
   73    HB2  SER  11           2HB      SER  11  -5.150   3.785  -8.953
   74    HB3  SER  11           1HB      SER  11  -3.649   4.473  -8.335
   75    HG   SER  11           HG       SER  11  -3.627   2.392  -9.624
   76    H    LYS  12           H        LYS  12  -4.877   3.115  -4.332
   77    HA   LYS  12           HA       LYS  12  -2.578   4.518  -3.551
   78    HB2  LYS  12           2HB      LYS  12  -3.904   2.175  -2.171
   79    HB3  LYS  12           1HB      LYS  12  -2.763   3.287  -1.428
   80    HG2  LYS  12           2HG      LYS  12  -5.450   4.058  -2.546
   81    HG3  LYS  12           1HG      LYS  12  -5.093   3.787  -0.839
   82    HD2  LYS  12           2HD      LYS  12  -3.358   5.588  -1.009
   83    HD3  LYS  12           1HD      LYS  12  -3.957   5.927  -2.635
   84    HE2  LYS  12           2HE      LYS  12  -5.479   6.149  -0.042
   85    HE3  LYS  12           1HE      LYS  12  -4.979   7.466  -1.102
   86    HZ1  LYS  12           1HZ      LYS  12  -6.456   6.619  -2.808
   87    HZ2  LYS  12           2HZ      LYS  12  -7.320   6.916  -1.384
   88    HZ3  LYS  12           3HZ      LYS  12  -6.917   5.331  -1.813
   89    H    GLY  13           H        GLY  13  -3.056   1.196  -4.562
   90    HA2  GLY  13           2HA      GLY  13  -0.181   0.918  -4.970
   91    HA3  GLY  13           1HA      GLY  13  -0.930  -0.229  -3.866
   92    H    TYR  14           H        TYR  14   0.184  -0.067  -6.869
   93    HA   TYR  14           HA       TYR  14  -2.020  -1.120  -8.355
   94    HB2  TYR  14           2HB      TYR  14  -0.217   0.121  -9.450
   95    HB3  TYR  14           1HB      TYR  14   0.927  -1.143  -9.011
   96    HD1  TYR  14           1HD      TYR  14  -2.048  -0.389 -11.078
   97    HD2  TYR  14           2HD      TYR  14   1.112  -3.130 -10.297
   98    HE1  TYR  14           1HE      TYR  14  -2.594  -1.599 -13.148
   99    HE2  TYR  14           2HE      TYR  14   0.577  -4.346 -12.367
  100    HH   TYR  14           HH       TYR  14  -2.288  -3.652 -14.218
  101    H    TRP  15           H        TRP  15  -2.765  -3.100  -8.257
  102    HA   TRP  15           HA       TRP  15  -1.213  -5.218  -7.004
  103    HB2  TRP  15           2HB      TRP  15  -3.385  -6.529  -7.413
  104    HB3  TRP  15           1HB      TRP  15  -3.438  -5.205  -6.255
  105    HD1  TRP  15           HD       TRP  15  -4.784  -2.988  -6.982
  106    HE1  TRP  15           1HE      TRP  15  -6.638  -2.620  -8.729
  107    HE3  TRP  15           3HE      TRP  15  -4.207  -7.283  -9.696
  108    HZ2  TRP  15           2HZ      TRP  15  -7.713  -3.970 -10.961
  109    HZ3  TRP  15           3HZ      TRP  15  -5.690  -7.668 -11.622
  110    HH2  TRP  15           HH       TRP  15  -7.406  -6.045 -12.240
  111    H    GLN  16           H        GLN  16   0.059  -6.495  -8.149
  112    HA   GLN  16           HA       GLN  16  -0.131  -6.649 -11.036
  113    HB2  GLN  16           2HB      GLN  16   2.052  -6.568  -9.780
  114    HB3  GLN  16           1HB      GLN  16   1.689  -8.168  -9.151
  115    HG2  GLN  16           2HG      GLN  16   3.147  -8.527 -10.935
  116    HG3  GLN  16           1HG      GLN  16   1.550  -8.925 -11.567
  117   HE21  GLN  16          1HE2      GLN  16   2.400  -8.603 -13.667
  118   HE22  GLN  16          2HE2      GLN  16   2.596  -7.011 -14.309
  119    H    GLU  17           H        GLU  17  -1.184  -8.058 -12.152
  120    HA   GLU  17           HA       GLU  17  -2.944  -9.898 -11.064
  121    HB2  GLU  17           2HB      GLU  17  -1.798  -9.771 -13.850
  122    HB3  GLU  17           1HB      GLU  17  -3.183 -10.749 -13.385
  123    HG2  GLU  17           2HG      GLU  17  -4.374  -8.702 -12.717
  124    HG3  GLU  17           1HG      GLU  17  -2.997  -7.747 -13.267
  125    H    ASP  18           H        ASP  18  -3.019 -12.136 -11.013
  126    HA   ASP  18           HA       ASP  18  -0.746 -13.538 -10.152
  127    HB2  ASP  18           2HB      ASP  18  -3.347 -14.559 -11.296
  128    HB3  ASP  18           1HB      ASP  18  -2.152 -15.555 -10.470
  129    H    GLU  19           H        GLU  19  -2.346 -13.454 -13.311
  130    HA   GLU  19           HA       GLU  19  -0.719 -15.406 -14.528
  131    HB2  GLU  19           2HB      GLU  19  -2.405 -13.197 -15.703
  132    HB3  GLU  19           1HB      GLU  19  -1.631 -14.448 -16.663
  133    HG2  GLU  19           2HG      GLU  19  -2.913 -16.156 -15.480
  134    HG3  GLU  19           1HG      GLU  19  -3.683 -14.902 -14.508
  135    H    ASP  20           H        ASP  20  -0.524 -11.871 -14.494
  136    HA   ASP  20           HA       ASP  20   1.647 -11.687 -16.292
  137    HB2  ASP  20           2HB      ASP  20   0.717  -9.774 -14.137
  138    HB3  ASP  20           1HB      ASP  20   1.929  -9.387 -15.356
  139    H    ALA  21           H        ALA  21   1.409 -12.147 -12.852
  140    HA   ALA  21           HA       ALA  21   4.349 -12.235 -12.646
  141    HB1  ALA  21           1HB      ALA  21   2.854 -12.291 -10.134
  142    HB2  ALA  21           2HB      ALA  21   2.581 -10.837 -11.094
  143    HB3  ALA  21           3HB      ALA  21   4.219 -11.287 -10.620
  144    HA   PRO  22           HA       PRO  22   2.953 -16.648 -12.318
  145    HB2  PRO  22           2HB      PRO  22   4.860 -17.667 -13.938
  146    HB3  PRO  22           1HB      PRO  22   3.352 -16.984 -14.556
  147    HG2  PRO  22           2HG      PRO  22   6.067 -15.738 -14.398
  148    HG3  PRO  22           1HG      PRO  22   4.889 -15.688 -15.723
  149    HD2  PRO  22           2HD      PRO  22   5.222 -13.649 -13.949
  150    HD3  PRO  22           1HD      PRO  22   3.674 -14.001 -14.743
  151    H    ALA  23           H        ALA  23   5.817 -14.891 -11.725
  152    HA   ALA  23           HA       ALA  23   6.707 -16.935  -9.808
  153    HB1  ALA  23           1HB      ALA  23   8.103 -16.972 -11.911
  154    HB2  ALA  23           2HB      ALA  23   8.993 -16.696 -10.413
  155    HB3  ALA  23           3HB      ALA  23   8.636 -15.344 -11.489
  156    H    CYS  24           H        CYS  24   7.928 -16.058  -7.997
  157    HA   CYS  24           HA       CYS  24   6.835 -13.697  -6.986
  158    HB2  CYS  24           2HB      CYS  24   7.922 -15.683  -5.752
  159    HB3  CYS  24           1HB      CYS  24   9.442 -14.838  -6.021
  160    HG   CYS  24           HG       CYS  24   8.202 -14.279  -3.673
  161    H    ASN  25           H        ASN  25   7.299 -11.658  -7.279
  162    HA   ASN  25           HA       ASN  25   9.241 -10.731  -9.075
  163    HB2  ASN  25           2HB      ASN  25   7.618  -9.320  -6.954
  164    HB3  ASN  25           1HB      ASN  25   8.665  -8.469  -8.086
  165   HD21  ASN  25          1HD2      ASN  25   8.215  -8.735 -10.369
  166   HD22  ASN  25          2HD2      ASN  25   6.584  -8.978 -10.883
  167    H    GLY  26           H        GLY  26   9.379 -11.387  -5.664
  168    HA2  GLY  26           2HA      GLY  26  11.773  -9.805  -5.272
  169    HA3  GLY  26           1HA      GLY  26  10.943 -10.761  -4.061
  170    H    CYS  27           H        CYS  27  11.051 -13.301  -4.874
  171    HA   CYS  27           HA       CYS  27  13.945 -13.764  -5.027
  172    HB2  CYS  27           2HB      CYS  27  13.540 -15.895  -3.949
  173    HB3  CYS  27           1HB      CYS  27  12.776 -14.608  -3.025
  174    HG   CYS  27           HG       CYS  27  10.471 -15.410  -4.087
  175    H    GLY  28           H        GLY  28  11.396 -13.835  -7.130
  176    HA2  GLY  28           2HA      GLY  28  11.261 -14.682  -9.255
  177    HA3  GLY  28           1HA      GLY  28  12.890 -15.301  -9.047
  178    H    CYS  29           H        CYS  29  10.914 -16.436  -6.569
  179    HA   CYS  29           HA       CYS  29  11.036 -19.100  -7.572
  180    HB2  CYS  29           2HB      CYS  29  10.074 -19.792  -5.543
  181    HB3  CYS  29           1HB      CYS  29  11.020 -18.372  -5.113
  182    HG   CYS  29           HG       CYS  29   8.510 -18.443  -4.086
  183    H    VAL  30           H        VAL  30   9.421 -20.424  -8.352
  184    HA   VAL  30           HA       VAL  30   7.307 -19.036  -9.741
  185    HB   VAL  30           HB       VAL  30   7.362 -21.988  -9.762
  186   HG11  VAL  30          1HG1      VAL  30   7.327 -21.244 -12.319
  187   HG12  VAL  30          2HG1      VAL  30   6.737 -19.750 -11.589
  188   HG13  VAL  30          3HG1      VAL  30   5.878 -21.265 -11.313
  189   HG21  VAL  30          1HG2      VAL  30   9.688 -21.766  -9.802
  190   HG22  VAL  30          2HG2      VAL  30   9.622 -20.281 -10.752
  191   HG23  VAL  30          3HG2      VAL  30   9.240 -21.828 -11.507
  192    H    PHE  31           H        PHE  31   5.155 -19.143  -9.396
  193    HA   PHE  31           HA       PHE  31   4.278 -20.090  -6.808
  194    HB2  PHE  31           2HB      PHE  31   2.815 -18.679  -9.047
  195    HB3  PHE  31           1HB      PHE  31   2.057 -19.156  -7.531
  196    HD1  PHE  31           1HD      PHE  31   2.788 -18.118  -5.408
  197    HD2  PHE  31           2HD      PHE  31   4.179 -16.750  -9.189
  198    HE1  PHE  31           1HE      PHE  31   3.514 -16.007  -4.372
  199    HE2  PHE  31           2HE      PHE  31   4.910 -14.636  -8.160
  200    HZ   PHE  31           HZ       PHE  31   4.577 -14.265  -5.748
  201    H    THR  32           H        THR  32   3.145 -21.829  -6.386
  202    HA   THR  32           HA       THR  32   2.166 -23.474  -8.620
  203    HB   THR  32           HB       THR  32   2.933 -25.477  -7.567
  204    HG1  THR  32           1HG      THR  32   4.006 -25.406  -5.558
  205   HG21  THR  32          1HG2      THR  32   4.698 -23.662  -8.553
  206   HG22  THR  32          2HG2      THR  32   5.089 -25.321  -8.100
  207   HG23  THR  32          3HG2      THR  32   5.377 -24.005  -6.962
  208    H    THR  33           H        THR  33   0.607 -25.189  -7.818
  209    HA   THR  33           HA       THR  33  -1.691 -24.095  -6.847
  210    HB   THR  33           HB       THR  33  -0.793 -26.939  -6.370
  211    HG1  THR  33           1HG      THR  33  -1.634 -27.358  -8.379
  212   HG21  THR  33          1HG2      THR  33  -2.894 -27.519  -5.874
  213   HG22  THR  33          2HG2      THR  33  -3.591 -26.371  -7.018
  214   HG23  THR  33          3HG2      THR  33  -3.064 -25.822  -5.427
  215    H    THR  34           H        THR  34   0.933 -25.496  -4.913
  216    HA   THR  34           HA       THR  34  -0.550 -25.190  -2.478
  217    HB   THR  34           HB       THR  34   1.461 -25.951  -1.350
  218    HG1  THR  34           1HG      THR  34   2.738 -25.700  -3.869
  219   HG21  THR  34          1HG2      THR  34   0.312 -27.781  -2.262
  220   HG22  THR  34          2HG2      THR  34   2.005 -28.016  -2.693
  221   HG23  THR  34          3HG2      THR  34   0.864 -27.416  -3.896
  222    H    VAL  35           H        VAL  35   1.670 -23.143  -4.275
  223    HA   VAL  35           HA       VAL  35   1.914 -21.378  -1.954
  224    HB   VAL  35           HB       VAL  35   3.188 -21.184  -4.678
  225   HG11  VAL  35          1HG1      VAL  35   2.780 -18.983  -3.690
  226   HG12  VAL  35          2HG1      VAL  35   4.501 -19.357  -3.756
  227   HG13  VAL  35          3HG1      VAL  35   3.628 -19.486  -2.229
  228   HG21  VAL  35          1HG2      VAL  35   5.047 -21.402  -2.534
  229   HG22  VAL  35          2HG2      VAL  35   4.797 -22.498  -3.894
  230   HG23  VAL  35          3HG2      VAL  35   3.877 -22.716  -2.404
  231    H    ARG  36           H        ARG  36   0.363 -20.015  -1.644
  232    HA   ARG  36           HA       ARG  36  -1.405 -19.106  -3.730
  233    HB2  ARG  36           2HB      ARG  36  -1.176 -18.293  -0.827
  234    HB3  ARG  36           1HB      ARG  36  -2.456 -17.781  -1.919
  235    HG2  ARG  36           2HG      ARG  36  -3.109 -20.144  -2.205
  236    HG3  ARG  36           1HG      ARG  36  -1.885 -20.595  -1.016
  237    HD2  ARG  36           2HD      ARG  36  -3.927 -20.480   0.164
  238    HD3  ARG  36           1HD      ARG  36  -3.043 -19.012   0.582
  239    HE   ARG  36           HE       ARG  36  -5.470 -19.206  -1.008
  240   HH11  ARG  36          1HH1      ARG  36  -2.838 -17.216   0.119
  241   HH12  ARG  36          2HH1      ARG  36  -3.662 -15.728  -0.199
  242   HH21  ARG  36          1HH2      ARG  36  -6.557 -17.248  -1.431
  243   HH22  ARG  36          2HH2      ARG  36  -5.771 -15.743  -1.082
  244    H    ARG  37           H        ARG  37  -1.676 -16.966  -4.436
  245    HA   ARG  37           HA       ARG  37   0.814 -15.452  -4.412
  246    HB2  ARG  37           2HB      ARG  37  -1.676 -15.303  -6.078
  247    HB3  ARG  37           1HB      ARG  37  -0.537 -13.965  -6.051
  248    HG2  ARG  37           2HG      ARG  37   1.243 -15.505  -6.776
  249    HG3  ARG  37           1HG      ARG  37   0.048 -16.797  -6.880
  250    HD2  ARG  37           2HD      ARG  37  -1.221 -15.412  -8.505
  251    HD3  ARG  37           1HD      ARG  37   0.090 -14.234  -8.466
  252    HE   ARG  37           HE       ARG  37   1.273 -15.589  -9.867
  253   HH11  ARG  37          1HH1      ARG  37  -1.230 -17.459  -8.336
  254   HH12  ARG  37          2HH1      ARG  37  -0.910 -18.889  -9.259
  255   HH21  ARG  37          1HH2      ARG  37   1.711 -17.466 -11.089
  256   HH22  ARG  37          2HH2      ARG  37   0.764 -18.892 -10.829
  257    H    HIS  38           H        HIS  38   1.046 -13.399  -3.678
  258    HA   HIS  38           HA       HIS  38  -1.223 -12.150  -2.319
  259    HB2  HIS  38           2HB      HIS  38   1.486 -12.603  -1.046
  260    HB3  HIS  38           1HB      HIS  38   0.180 -11.651  -0.350
  261    HD1  HIS  38           1HD      HIS  38  -2.014 -13.026   0.325
  262    HD2  HIS  38           2HD      HIS  38   1.366 -15.290  -0.524
  263    HE1  HIS  38           1HE      HIS  38  -2.470 -15.303   1.290
  264    HE2  HIS  38           2HE      HIS  38  -0.399 -16.648   0.791
  265    H    HIS  39           H        HIS  39  -0.722  -9.858  -1.714
  266    HA   HIS  39           HA       HIS  39   1.172  -8.701  -3.658
  267    HB2  HIS  39           2HB      HIS  39  -1.489  -7.571  -2.767
  268    HB3  HIS  39           1HB      HIS  39  -0.362  -6.785  -3.869
  269    HD1  HIS  39           1HD      HIS  39  -3.004  -9.373  -3.710
  270    HD2  HIS  39           2HD      HIS  39  -0.213  -7.972  -6.453
  271    HE1  HIS  39           1HE      HIS  39  -3.712 -10.315  -5.932
  272    HE2  HIS  39           2HE      HIS  39  -2.082  -9.351  -7.593
  273    H    CYS  40           H        CYS  40   2.418  -6.962  -3.025
  274    HA   CYS  40           HA       CYS  40   2.655  -6.550  -0.145
  275    HB2  CYS  40           2HB      CYS  40   4.730  -7.012  -1.280
  276    HB3  CYS  40           1HB      CYS  40   4.382  -5.817  -2.521
  277    HG   CYS  40           HG       CYS  40   6.126  -4.970  -0.670
  278    H    ARG  41           H        ARG  41   2.155  -4.648   0.822
  279    HA   ARG  41           HA       ARG  41   0.357  -2.908  -0.494
  280    HB2  ARG  41           2HB      ARG  41   1.734  -2.610   2.178
  281    HB3  ARG  41           1HB      ARG  41   0.354  -1.664   1.636
  282    HG2  ARG  41           2HG      ARG  41   0.320  -4.657   1.937
  283    HG3  ARG  41           1HG      ARG  41  -0.200  -3.529   3.190
  284    HD2  ARG  41           2HD      ARG  41  -1.350  -3.613   0.406
  285    HD3  ARG  41           1HD      ARG  41  -2.049  -4.457   1.787
  286    HE   ARG  41           HE       ARG  41  -1.663  -1.659   2.263
  287   HH11  ARG  41          1HH1      ARG  41  -3.788  -4.035   0.862
  288   HH12  ARG  41          2HH1      ARG  41  -5.204  -3.051   1.019
  289   HH21  ARG  41          1HH2      ARG  41  -3.522  -0.353   2.475
  290   HH22  ARG  41          2HH2      ARG  41  -5.053  -0.960   1.938
  291    H    ASN  42           H        ASN  42   3.683  -2.961  -0.604
  292    HA   ASN  42           HA       ASN  42   3.917  -0.060  -0.881
  293    HB2  ASN  42           2HB      ASN  42   5.974  -2.228  -0.504
  294    HB3  ASN  42           1HB      ASN  42   6.403  -0.567  -0.896
  295   HD21  ASN  42          1HD2      ASN  42   6.358  -2.587   1.550
  296   HD22  ASN  42          2HD2      ASN  42   5.961  -1.530   2.856
  297    H    CYS  43           H        CYS  43   5.518  -2.785  -2.538
  298    HA   CYS  43           HA       CYS  43   5.729  -1.225  -4.924
  299    HB2  CYS  43           2HB      CYS  43   6.834  -3.182  -5.882
  300    HB3  CYS  43           1HB      CYS  43   7.489  -2.797  -4.297
  301    HG   CYS  43           HG       CYS  43   6.363  -5.425  -5.066
  302    H    GLY  44           H        GLY  44   3.482  -3.570  -3.723
  303    HA2  GLY  44           2HA      GLY  44   1.409  -4.145  -4.559
  304    HA3  GLY  44           1HA      GLY  44   1.693  -3.041  -5.895
  305    H    TYR  45           H        TYR  45   4.007  -5.524  -5.223
  306    HA   TYR  45           HA       TYR  45   3.222  -6.872  -7.708
  307    HB2  TYR  45           2HB      TYR  45   5.834  -7.061  -6.199
  308    HB3  TYR  45           1HB      TYR  45   5.482  -7.779  -7.765
  309    HD1  TYR  45           2HD      TYR  45   4.106  -5.558  -9.138
  310    HD2  TYR  45           1HD      TYR  45   7.535  -5.531  -6.620
  311    HE1  TYR  45           2HE      TYR  45   4.905  -3.519 -10.258
  312    HE2  TYR  45           1HE      TYR  45   8.344  -3.492  -7.731
  313    HH   TYR  45           HH       TYR  45   6.373  -1.724  -9.991
  314    H    VAL  46           H        VAL  46   3.507  -9.220  -7.780
  315    HA   VAL  46           HA       VAL  46   2.152 -10.395  -5.538
  316    HB   VAL  46           HB       VAL  46   3.244 -11.797  -7.982
  317   HG11  VAL  46          1HG1      VAL  46   1.149 -12.757  -6.040
  318   HG12  VAL  46          2HG1      VAL  46   2.845 -13.230  -5.968
  319   HG13  VAL  46          3HG1      VAL  46   1.868 -13.658  -7.374
  320   HG21  VAL  46          1HG2      VAL  46   1.443  -9.955  -8.231
  321   HG22  VAL  46          2HG2      VAL  46   0.362 -11.143  -7.504
  322   HG23  VAL  46          3HG2      VAL  46   1.187 -11.512  -9.019
  323    H    LEU  47           H        LEU  47   2.970 -11.502  -3.879
  324    HA   LEU  47           HA       LEU  47   5.740 -12.489  -4.043
  325    HB2  LEU  47           2HB      LEU  47   4.471 -10.964  -1.761
  326    HB3  LEU  47           1HB      LEU  47   5.958 -11.871  -1.602
  327    HG   LEU  47           HG       LEU  47   6.255  -9.421  -1.838
  328   HD11  LEU  47          1HD1      LEU  47   7.487 -11.342  -3.754
  329   HD12  LEU  47          2HD1      LEU  47   8.173 -10.602  -2.310
  330   HD13  LEU  47          3HD1      LEU  47   7.947  -9.641  -3.771
  331   HD21  LEU  47          1HD2      LEU  47   5.838  -9.502  -4.738
  332   HD22  LEU  47          2HD2      LEU  47   5.524  -8.214  -3.574
  333   HD23  LEU  47          3HD2      LEU  47   4.372  -9.536  -3.759
  334    H    CYS  48           H        CYS  48   6.046 -14.495  -3.145
  335    HA   CYS  48           HA       CYS  48   3.714 -16.011  -2.438
  336    HB2  CYS  48           2HB      CYS  48   5.130 -17.906  -2.379
  337    HB3  CYS  48           1HB      CYS  48   5.812 -16.889  -3.644
  338    HG   CYS  48           HG       CYS  48   7.678 -16.181  -1.904
  339    H    GLY  49           H        GLY  49   4.000 -17.464  -0.293
  340    HA2  GLY  49           2HA      GLY  49   3.653 -15.763   1.863
  341    HA3  GLY  49           1HA      GLY  49   4.069 -17.464   2.007
  342    H    ASP  50           H        ASP  50   6.546 -17.680   1.098
  343    HA   ASP  50           HA       ASP  50   8.165 -16.811   3.176
  344    HB2  ASP  50           2HB      ASP  50   8.800 -17.795   0.405
  345    HB3  ASP  50           1HB      ASP  50  10.073 -17.336   1.530
  346    H    CYS  51           H        CYS  51   7.501 -15.254   0.127
  347    HA   CYS  51           HA       CYS  51   9.506 -13.211   0.615
  348    HB2  CYS  51           2HB      CYS  51   7.806 -14.006  -1.682
  349    HB3  CYS  51           1HB      CYS  51   8.269 -12.309  -1.584
  350    HG   CYS  51           HG       CYS  51  10.814 -13.274  -1.476
  351    H    SER  52           H        SER  52   6.434 -13.751   1.676
  352    HA   SER  52           HA       SER  52   6.000 -10.887   2.118
  353    HB2  SER  52           2HB      SER  52   3.658 -11.066   1.704
  354    HB3  SER  52           1HB      SER  52   4.451 -11.850   0.338
  355    HG   SER  52           HG       SER  52   3.197 -13.461   0.846
  356    H    ARG  53           H        ARG  53   7.230 -13.048   3.686
  357    HA   ARG  53           HA       ARG  53   5.345 -13.657   5.786
  358    HB2  ARG  53           2HB      ARG  53   8.263 -14.264   5.388
  359    HB3  ARG  53           1HB      ARG  53   7.477 -14.560   6.932
  360    HG2  ARG  53           2HG      ARG  53   5.827 -15.992   5.704
  361    HG3  ARG  53           1HG      ARG  53   6.851 -15.818   4.279
  362    HD2  ARG  53           2HD      ARG  53   8.743 -16.744   5.565
  363    HD3  ARG  53           1HD      ARG  53   7.655 -17.004   6.929
  364    HE   ARG  53           HE       ARG  53   7.882 -18.612   4.568
  365   HH11  ARG  53          1HH1      ARG  53   5.737 -17.602   7.121
  366   HH12  ARG  53          2HH1      ARG  53   4.731 -19.007   7.005
  367   HH21  ARG  53          1HH2      ARG  53   6.565 -20.468   4.413
  368   HH22  ARG  53          2HH2      ARG  53   5.201 -20.634   5.467
  369    H    HIS  54           H        HIS  54   7.553 -11.105   5.069
  370    HA   HIS  54           HA       HIS  54   7.991 -10.342   7.794
  371    HB2  HIS  54           2HB      HIS  54   8.460  -8.868   5.197
  372    HB3  HIS  54           1HB      HIS  54   8.924  -8.248   6.772
  373    HD1  HIS  54           1HD      HIS  54  10.595 -10.050   8.122
  374    HD2  HIS  54           2HD      HIS  54  10.462 -10.188   3.974
  375    HE1  HIS  54           1HE      HIS  54  12.712 -11.212   7.421
  376    HE2  HIS  54           2HE      HIS  54  12.560 -11.372   4.910
  377    H    ARG  55           H        ARG  55   7.395  -8.177   8.579
  378    HA   ARG  55           HA       ARG  55   4.890  -7.147   7.497
  379    HB2  ARG  55           2HB      ARG  55   5.263  -7.897  10.403
  380    HB3  ARG  55           1HB      ARG  55   3.862  -7.077   9.722
  381    HG2  ARG  55           2HG      ARG  55   3.472  -9.056   8.280
  382    HG3  ARG  55           1HG      ARG  55   4.780  -9.879   9.134
  383    HD2  ARG  55           2HD      ARG  55   2.216  -8.835  10.325
  384    HD3  ARG  55           1HD      ARG  55   2.650 -10.526  10.075
  385    HE   ARG  55           HE       ARG  55   3.593  -8.768  12.177
  386   HH11  ARG  55          1HH1      ARG  55   4.052 -11.763  10.455
  387   HH12  ARG  55          2HH1      ARG  55   4.922 -12.521  11.747
  388   HH21  ARG  55          1HH2      ARG  55   4.739  -9.755  13.880
  389   HH22  ARG  55          2HH2      ARG  55   5.315 -11.378  13.693
  390    H    ALA  56           H        ALA  56   4.745  -4.990   7.593
  391    HA   ALA  56           HA       ALA  56   6.270  -3.426   9.491
  392    HB1  ALA  56           1HB      ALA  56   7.742  -2.332   8.012
  393    HB2  ALA  56           2HB      ALA  56   6.948  -3.015   6.592
  394    HB3  ALA  56           3HB      ALA  56   7.897  -4.052   7.656
  395    H    ALA  57           H        ALA  57   5.742  -1.173   9.484
  396    HA   ALA  57           HA       ALA  57   3.112  -0.649   8.361
  397    HB1  ALA  57           1HB      ALA  57   3.366  -0.027  10.655
  398    HB2  ALA  57           2HB      ALA  57   3.299   1.463   9.714
  399    HB3  ALA  57           3HB      ALA  57   4.848   0.865  10.309
  400    H    ILE  58           H        ILE  58   2.698   1.202   7.021
  401    HA   ILE  58           HA       ILE  58   5.092   2.296   5.714
  402    HB   ILE  58           HB       ILE  58   2.564   1.851   4.177
  403   HG12  ILE  58          2HG1      ILE  58   4.718  -0.225   4.637
  404   HG13  ILE  58          1HG1      ILE  58   3.064  -0.315   5.230
  405   HG21  ILE  58          1HG2      ILE  58   4.058   1.774   2.297
  406   HG22  ILE  58          2HG2      ILE  58   5.463   1.773   3.363
  407   HG23  ILE  58          3HG2      ILE  58   4.430   3.199   3.266
  408   HD11  ILE  58          1HD1      ILE  58   3.218   0.072   2.352
  409   HD12  ILE  58          2HD1      ILE  58   2.313  -1.113   3.295
  410   HD13  ILE  58          3HD1      ILE  58   4.007  -1.405   2.904
  411    HA   PRO  59           HA       PRO  59   2.369   5.641   7.443
  412    HB2  PRO  59           2HB      PRO  59   4.489   7.233   8.148
  413    HB3  PRO  59           1HB      PRO  59   3.738   6.040   9.211
  414    HG2  PRO  59           2HG      PRO  59   6.220   5.811   7.560
  415    HG3  PRO  59           1HG      PRO  59   5.908   5.228   9.206
  416    HD2  PRO  59           2HD      PRO  59   5.859   3.578   7.078
  417    HD3  PRO  59           1HD      PRO  59   4.771   3.355   8.462
  418    H    MET  60           H        MET  60   4.563   5.390   4.831
  419    HA   MET  60           HA       MET  60   4.083   8.150   3.992
  420    HB2  MET  60           2HB      MET  60   5.716   5.925   2.738
  421    HB3  MET  60           1HB      MET  60   5.594   7.565   2.116
  422    HG2  MET  60           2HG      MET  60   6.590   8.400   4.212
  423    HG3  MET  60           1HG      MET  60   6.781   6.735   4.754
  424    HE1  MET  60           1HE      MET  60   9.141   8.549   4.892
  425    HE2  MET  60           2HE      MET  60  10.458   7.804   3.985
  426    HE3  MET  60           3HE      MET  60   9.476   6.827   5.076
  427    H    ARG  61           H        ARG  61   3.378   4.839   3.268
  428    HA   ARG  61           HA       ARG  61   1.710   5.485   0.973
  429    HB2  ARG  61           2HB      ARG  61   2.304   2.827   2.277
  430    HB3  ARG  61           1HB      ARG  61   1.472   3.064   0.743
  431    HG2  ARG  61           2HG      ARG  61   3.616   4.299   0.021
  432    HG3  ARG  61           1HG      ARG  61   4.359   3.502   1.402
  433    HD2  ARG  61           2HD      ARG  61   4.765   2.095  -0.442
  434    HD3  ARG  61           1HD      ARG  61   3.456   1.332   0.463
  435    HE   ARG  61           HE       ARG  61   2.147   1.571  -1.383
  436   HH11  ARG  61          1HH1      ARG  61   4.710   3.920  -1.526
  437   HH12  ARG  61          2HH1      ARG  61   4.222   4.554  -3.064
  438   HH21  ARG  61          1HH2      ARG  61   1.483   2.404  -3.406
  439   HH22  ARG  61          2HH2      ARG  61   2.384   3.693  -4.131
  440    H    GLY  62           H        GLY  62   0.989   6.370   3.707
  441    HA2  GLY  62           2HA      GLY  62  -0.986   6.713   4.834
  442    HA3  GLY  62           1HA      GLY  62  -1.794   5.847   3.540
  443    H    ILE  63           H        ILE  63   0.765   4.255   5.281
  444    HA   ILE  63           HA       ILE  63  -1.272   2.658   6.693
  445    HB   ILE  63           HB       ILE  63   1.406   1.737   5.631
  446   HG12  ILE  63          2HG1      ILE  63  -1.385   1.024   4.703
  447   HG13  ILE  63          1HG1      ILE  63  -0.330   2.176   3.892
  448   HG21  ILE  63          1HG2      ILE  63   0.503  -0.540   6.220
  449   HG22  ILE  63          2HG2      ILE  63  -0.761   0.289   7.133
  450   HG23  ILE  63          3HG2      ILE  63   0.930   0.491   7.587
  451   HD11  ILE  63          1HD1      ILE  63   1.007   0.553   3.035
  452   HD12  ILE  63          2HD1      ILE  63  -0.515  -0.335   3.121
  453   HD13  ILE  63          3HD1      ILE  63   0.710  -0.558   4.370
  454    H    THR  64           H        THR  64  -1.223   3.411   8.754
  455    HA   THR  64           HA       THR  64   1.328   4.129   9.964
  456    HB   THR  64           HB       THR  64  -0.051   4.918  11.868
  457    HG1  THR  64           1HG      THR  64  -2.324   4.465  10.279
  458   HG21  THR  64          1HG2      THR  64   0.447   6.360   9.852
  459   HG22  THR  64          2HG2      THR  64  -0.925   6.836  10.853
  460   HG23  THR  64          3HG2      THR  64  -1.199   6.004   9.323
  461    H    GLU  65           H        GLU  65  -0.872   1.489   9.944
  462    HA   GLU  65           HA       GLU  65   0.346   0.363  12.364
  463    HB2  GLU  65           2HB      GLU  65  -2.140  -0.316  10.802
  464    HB3  GLU  65           1HB      GLU  65  -1.454  -1.442  11.966
  465    HG2  GLU  65           2HG      GLU  65  -1.672   0.282  13.714
  466    HG3  GLU  65           1HG      GLU  65  -2.438   1.345  12.535
  467    HA   PRO  66           HA       PRO  66   3.137  -2.029   9.972
  468    HB2  PRO  66           2HB      PRO  66   2.547  -4.231  11.897
  469    HB3  PRO  66           1HB      PRO  66   4.105  -3.549  11.423
  470    HG2  PRO  66           2HG      PRO  66   3.006  -2.973  13.792
  471    HG3  PRO  66           1HG      PRO  66   3.914  -1.759  12.875
  472    HD2  PRO  66           2HD      PRO  66   0.972  -2.038  13.258
  473    HD3  PRO  66           1HD      PRO  66   1.955  -0.571  13.083
  474    H    GLU  67           H        GLU  67   2.673  -2.903   8.091
  475    HA   GLU  67           HA       GLU  67   0.563  -4.944   7.937
  476    HB2  GLU  67           2HB      GLU  67   1.176  -2.767   5.931
  477    HB3  GLU  67           1HB      GLU  67   0.031  -4.071   5.669
  478    HG2  GLU  67           2HG      GLU  67  -1.241  -3.256   7.651
  479    HG3  GLU  67           1HG      GLU  67  -0.154  -1.870   7.702
  480    H    ARG  68           H        ARG  68   0.739  -6.275   5.913
  481    HA   ARG  68           HA       ARG  68   3.323  -7.459   5.818
  482    HB2  ARG  68           2HB      ARG  68   2.310  -9.001   4.195
  483    HB3  ARG  68           1HB      ARG  68   1.357  -8.826   5.660
  484    HG2  ARG  68           2HG      ARG  68  -0.072  -7.176   4.415
  485    HG3  ARG  68           1HG      ARG  68   0.795  -7.647   2.951
  486    HD2  ARG  68           2HD      ARG  68  -1.136  -8.976   2.956
  487    HD3  ARG  68           1HD      ARG  68   0.143 -10.040   3.536
  488    HE   ARG  68           HE       ARG  68  -1.309  -8.707   5.633
  489   HH11  ARG  68          1HH1      ARG  68  -1.182 -11.481   3.535
  490   HH12  ARG  68          2HH1      ARG  68  -2.148 -12.475   4.574
  491   HH21  ARG  68          1HH2      ARG  68  -2.583 -10.006   7.011
  492   HH22  ARG  68          2HH2      ARG  68  -2.943 -11.636   6.551
  493    H    VAL  69           H        VAL  69   4.836  -7.489   4.298
  494    HA   VAL  69           HA       VAL  69   4.499  -6.095   1.750
  495    HB   VAL  69           HB       VAL  69   6.603  -4.849   2.034
  496   HG11  VAL  69          1HG1      VAL  69   5.683  -3.184   3.751
  497   HG12  VAL  69          2HG1      VAL  69   4.310  -4.281   3.878
  498   HG13  VAL  69          3HG1      VAL  69   4.700  -3.532   2.328
  499   HG21  VAL  69          1HG2      VAL  69   7.319  -4.508   4.486
  500   HG22  VAL  69          2HG2      VAL  69   7.823  -5.985   3.664
  501   HG23  VAL  69          3HG2      VAL  69   6.467  -6.020   4.792
  502    H    CYS  70           H        CYS  70   6.816  -6.249   0.618
  503    HA   CYS  70           HA       CYS  70   7.538  -9.071   0.746
  504    HB2  CYS  70           2HB      CYS  70   8.303  -8.908  -1.445
  505    HB3  CYS  70           1HB      CYS  70   6.958  -7.778  -1.440
  506    HG   CYS  70           HG       CYS  70   9.646  -7.066  -2.283
  507    H    ASP  71           H        ASP  71  10.156  -8.864  -0.301
  508    HA   ASP  71           HA       ASP  71  11.517  -8.140   2.150
  509    HB2  ASP  71           2HB      ASP  71  12.567  -9.337  -0.426
  510    HB3  ASP  71           1HB      ASP  71  13.534  -9.084   1.024
  511    H    ALA  72           H        ALA  72  11.574  -6.978  -1.210
  512    HA   ALA  72           HA       ALA  72  13.646  -5.094  -0.758
  513    HB1  ALA  72           1HB      ALA  72  12.358  -6.037  -2.971
  514    HB2  ALA  72           2HB      ALA  72  13.488  -4.682  -2.948
  515    HB3  ALA  72           3HB      ALA  72  11.750  -4.385  -2.862
  516    H    CYS  73           H        CYS  73  10.117  -4.754  -0.788
  517    HA   CYS  73           HA       CYS  73  10.056  -1.978  -0.340
  518    HB2  CYS  73           2HB      CYS  73   7.981  -4.031   0.465
  519    HB3  CYS  73           1HB      CYS  73   7.721  -2.299   0.264
  520    HG   CYS  73           HG       CYS  73   8.341  -2.766  -2.344
  521    H    TYR  74           H        TYR  74  10.076  -4.747   1.853
  522    HA   TYR  74           HA       TYR  74   9.643  -3.368   4.245
  523    HB2  TYR  74           2HB      TYR  74   9.687  -5.848   4.056
  524    HB3  TYR  74           1HB      TYR  74  11.428  -5.780   3.808
  525    HD1  TYR  74           1HD      TYR  74   8.719  -5.370   6.256
  526    HD2  TYR  74           2HD      TYR  74  12.931  -5.384   5.655
  527    HE1  TYR  74           1HE      TYR  74   9.062  -5.493   8.689
  528    HE2  TYR  74           2HE      TYR  74  13.284  -5.506   8.085
  529    HH   TYR  74           HH       TYR  74  10.922  -6.334  10.250
  530    H    LEU  75           H        LEU  75  12.549  -3.920   2.349
  531    HA   LEU  75           HA       LEU  75  14.343  -2.702   4.198
  532    HB2  LEU  75           2HB      LEU  75  14.492  -3.720   1.417
  533    HB3  LEU  75           1HB      LEU  75  15.730  -2.594   1.934
  534    HG   LEU  75           HG       LEU  75  15.105  -5.048   3.548
  535   HD11  LEU  75          1HD1      LEU  75  15.931  -6.385   1.989
  536   HD12  LEU  75          2HD1      LEU  75  17.434  -5.463   1.999
  537   HD13  LEU  75          3HD1      LEU  75  16.132  -5.016   0.896
  538   HD21  LEU  75          1HD2      LEU  75  16.552  -3.011   4.294
  539   HD22  LEU  75          2HD2      LEU  75  17.769  -3.730   3.238
  540   HD23  LEU  75          3HD2      LEU  75  17.120  -4.653   4.595
  541    H    ALA  76           H        ALA  76  13.045  -1.566   1.063
  542    HA   ALA  76           HA       ALA  76  14.288   0.881   0.988
  543    HB1  ALA  76           1HB      ALA  76  12.454   1.655  -0.447
  544    HB2  ALA  76           2HB      ALA  76  11.481   0.271   0.054
  545    HB3  ALA  76           3HB      ALA  76  12.960   0.020  -0.873
  546    H    LEU  77           H        LEU  77  11.196   0.092   2.551
  547    HA   LEU  77           HA       LEU  77  10.786   2.709   3.588
  548    HB2  LEU  77           2HB      LEU  77   9.773   0.031   4.561
  549    HB3  LEU  77           1HB      LEU  77   9.223   1.579   5.168
  550    HG   LEU  77           HG       LEU  77   8.941   0.730   2.288
  551   HD11  LEU  77          1HD1      LEU  77   7.664  -0.803   3.600
  552   HD12  LEU  77          2HD1      LEU  77   6.556   0.364   2.887
  553   HD13  LEU  77          3HD1      LEU  77   7.007   0.505   4.584
  554   HD21  LEU  77          1HD2      LEU  77   7.842   3.014   3.915
  555   HD22  LEU  77          2HD2      LEU  77   7.170   2.535   2.355
  556   HD23  LEU  77          3HD2      LEU  77   8.841   3.094   2.465
  557    H    ARG  78           H        ARG  78  12.257  -0.237   4.751
  558    HA   ARG  78           HA       ARG  78  12.918   0.443   7.349
  559    HB2  ARG  78           2HB      ARG  78  13.127  -1.811   6.413
  560    HB3  ARG  78           1HB      ARG  78  14.442  -1.273   5.382
  561    HG2  ARG  78           2HG      ARG  78  15.701  -0.703   7.481
  562    HG3  ARG  78           1HG      ARG  78  14.426  -1.543   8.362
  563    HD2  ARG  78           2HD      ARG  78  14.871  -3.555   6.969
  564    HD3  ARG  78           1HD      ARG  78  16.243  -2.704   6.261
  565    HE   ARG  78           HE       ARG  78  16.657  -2.586   8.963
  566   HH11  ARG  78          1HH1      ARG  78  16.199  -5.126   6.620
  567   HH12  ARG  78          2HH1      ARG  78  17.147  -6.280   7.498
  568   HH21  ARG  78          1HH2      ARG  78  17.900  -4.094  10.124
  569   HH22  ARG  78          2HH2      ARG  78  18.113  -5.693   9.493
  570    H    SER  79           H        SER  79  14.201   1.661   4.387
  571    HA   SER  79           HA       SER  79  16.578   2.678   5.774
  572    HB2  SER  79           2HB      SER  79  15.955   2.604   2.812
  573    HB3  SER  79           1HB      SER  79  17.458   3.182   3.531
  574    HG   SER  79           HG       SER  79  18.036   1.171   3.992
  575    H    SER  80           H        SER  80  17.120   4.887   5.672
  576    HA   SER  80           HA       SER  80  14.993   6.706   4.786
  577    HB2  SER  80           2HB      SER  80  15.109   7.993   6.819
  578    HB3  SER  80           1HB      SER  80  14.842   6.308   7.266
  579    HG   SER  80           HG       SER  80  17.365   6.429   7.275
  580    H    ASN  81           H        ASN  81  15.755   8.960   4.544
  581    HA   ASN  81           HA       ASN  81  18.413   8.966   3.377
  582    HB2  ASN  81           2HB      ASN  81  16.219  11.045   3.397
  583    HB3  ASN  81           1HB      ASN  81  17.763  11.244   2.576
  584   HD21  ASN  81          1HD2      ASN  81  15.457  11.443   1.166
  585   HD22  ASN  81          2HD2      ASN  81  15.280  10.081   0.117
  586    H    MET  82           H        MET  82  20.155   9.983   4.154
  587    HA   MET  82           HA       MET  82  20.325  10.706   6.852
  588    HB2  MET  82           2HB      MET  82  22.150  11.359   4.534
  589    HB3  MET  82           1HB      MET  82  22.557  11.650   6.219
  590    HG2  MET  82           2HG      MET  82  22.293   9.224   6.648
  591    HG3  MET  82           1HG      MET  82  22.038   8.986   4.920
  592    HE1  MET  82           1HE      MET  82  24.421   9.787   7.777
  593    HE2  MET  82           2HE      MET  82  24.677  11.310   6.923
  594    HE3  MET  82           3HE      MET  82  25.973  10.116   7.005
  595    H    ALA  83           H        ALA  83  19.755  12.613   3.963
  596    HA   ALA  83           HA       ALA  83  20.152  15.170   5.063
  597    HB1  ALA  83           1HB      ALA  83  18.585  14.160   2.716
  598    HB2  ALA  83           2HB      ALA  83  20.077  15.098   2.736
  599    HB3  ALA  83           3HB      ALA  83  18.550  15.863   3.171
  600    H    GLY  84           H        GLY  84  18.735  16.676   5.939
  601    HA2  GLY  84           2HA      GLY  84  16.052  15.696   6.656
  602    HA3  GLY  84           1HA      GLY  84  17.113  16.326   7.906
  Start of MODEL   20
    1    H1   GLY   1           1HT      GLY   1 -21.035   6.363 -10.226
    2    H2   GLY   1           2HT      GLY   1 -20.175   5.747  -8.906
    3    H3   GLY   1           3HT      GLY   1 -20.332   4.827 -10.314
    4    HA2  GLY   1           1HA      GLY   1 -19.071   6.540 -11.541
    5    HA3  GLY   1           2HA      GLY   1 -18.810   7.354 -10.007
    6    HA   PRO   2           HA       PRO   2 -15.020   4.866 -10.428
    7    HB2  PRO   2           2HB      PRO   2 -13.807   6.089  -8.273
    8    HB3  PRO   2           1HB      PRO   2 -13.733   6.686  -9.934
    9    HG2  PRO   2           2HG      PRO   2 -15.506   7.548  -7.686
   10    HG3  PRO   2           1HG      PRO   2 -14.682   8.537  -8.907
   11    HD2  PRO   2           2HD      PRO   2 -17.299   7.978  -9.087
   12    HD3  PRO   2           1HD      PRO   2 -16.271   8.076 -10.533
   13    H    LEU   3           H        LEU   3 -14.374   3.046  -9.356
   14    HA   LEU   3           HA       LEU   3 -16.070   2.096  -7.230
   15    HB2  LEU   3           2HB      LEU   3 -13.637   0.805  -8.462
   16    HB3  LEU   3           1HB      LEU   3 -14.820   0.014  -7.437
   17    HG   LEU   3           HG       LEU   3 -15.352   1.136 -10.192
   18   HD11  LEU   3          1HD1      LEU   3 -15.871  -1.538 -10.268
   19   HD12  LEU   3          2HD1      LEU   3 -14.464  -1.471  -9.206
   20   HD13  LEU   3          3HD1      LEU   3 -14.381  -0.780 -10.826
   21   HD21  LEU   3          1HD2      LEU   3 -17.405  -0.570  -9.502
   22   HD22  LEU   3          2HD2      LEU   3 -17.477   1.191  -9.508
   23   HD23  LEU   3          3HD2      LEU   3 -17.104   0.328  -8.015
   24    H    GLY   4           H        GLY   4 -15.506   1.663  -5.121
   25    HA2  GLY   4           2HA      GLY   4 -14.168   1.609  -3.220
   26    HA3  GLY   4           1HA      GLY   4 -12.800   2.115  -4.200
   27    H    SER   5           H        SER   5 -15.549   4.041  -4.666
   28    HA   SER   5           HA       SER   5 -14.326   6.388  -3.759
   29    HB2  SER   5           2HB      SER   5 -17.277   5.847  -4.168
   30    HB3  SER   5           1HB      SER   5 -16.529   7.441  -4.065
   31    HG   SER   5           HG       SER   5 -16.708   6.967  -6.212
   32    H    MET   6           H        MET   6 -16.510   4.147  -2.156
   33    HA   MET   6           HA       MET   6 -16.059   5.627   0.347
   34    HB2  MET   6           2HB      MET   6 -18.615   4.292  -0.558
   35    HB3  MET   6           1HB      MET   6 -18.342   4.922   1.062
   36    HG2  MET   6           2HG      MET   6 -17.975   7.164   0.060
   37    HG3  MET   6           1HG      MET   6 -18.429   6.488  -1.504
   38    HE1  MET   6           1HE      MET   6 -20.771   5.389  -1.987
   39    HE2  MET   6           2HE      MET   6 -22.152   5.450  -0.891
   40    HE3  MET   6           3HE      MET   6 -20.775   4.410  -0.519
   41    H    GLY   7           H        GLY   7 -15.973   4.377   2.259
   42    HA2  GLY   7           2HA      GLY   7 -15.822   2.398   3.501
   43    HA3  GLY   7           1HA      GLY   7 -15.987   1.478   2.013
   44    H    GLU   8           H        GLU   8 -14.168   0.621   3.775
   45    HA   GLU   8           HA       GLU   8 -11.566   1.709   3.023
   46    HB2  GLU   8           2HB      GLU   8 -12.286  -0.479   4.984
   47    HB3  GLU   8           1HB      GLU   8 -10.675   0.182   4.736
   48    HG2  GLU   8           2HG      GLU   8 -11.497   2.388   5.461
   49    HG3  GLU   8           1HG      GLU   8 -13.075   1.671   5.777
   50    H    LYS   9           H        LYS   9 -13.500  -0.072   1.351
   51    HA   LYS   9           HA       LYS   9 -12.028  -2.470   0.859
   52    HB2  LYS   9           2HB      LYS   9 -14.086  -1.042  -0.844
   53    HB3  LYS   9           1HB      LYS   9 -13.457  -2.653  -1.166
   54    HG2  LYS   9           2HG      LYS   9 -14.343  -3.357   1.062
   55    HG3  LYS   9           1HG      LYS   9 -15.125  -1.779   1.181
   56    HD2  LYS   9           2HD      LYS   9 -15.570  -3.743  -1.066
   57    HD3  LYS   9           1HD      LYS   9 -16.619  -3.582   0.342
   58    HE2  LYS   9           2HE      LYS   9 -16.914  -1.168  -0.275
   59    HE3  LYS   9           1HE      LYS   9 -16.058  -1.516  -1.775
   60    HZ1  LYS   9           1HZ      LYS   9 -18.038  -3.436  -1.535
   61    HZ2  LYS   9           2HZ      LYS   9 -17.990  -2.143  -2.626
   62    HZ3  LYS   9           3HZ      LYS   9 -18.774  -1.963  -1.138
   63    H    GLN  10           H        GLN  10 -11.340   0.687   0.297
   64    HA   GLN  10           HA       GLN  10 -10.250   0.721  -2.295
   65    HB2  GLN  10           2HB      GLN  10 -10.752   2.774  -1.170
   66    HB3  GLN  10           1HB      GLN  10  -9.713   2.356   0.187
   67    HG2  GLN  10           2HG      GLN  10  -7.763   2.481  -1.331
   68    HG3  GLN  10           1HG      GLN  10  -8.841   3.012  -2.622
   69   HE21  GLN  10          1HE2      GLN  10  -7.000   4.730  -2.293
   70   HE22  GLN  10          2HE2      GLN  10  -7.461   6.086  -1.328
   71    H    SER  11           H        SER  11  -8.177   0.394  -3.036
   72    HA   SER  11           HA       SER  11  -6.306  -0.882  -1.150
   73    HB2  SER  11           2HB      SER  11  -6.678  -1.533  -4.084
   74    HB3  SER  11           1HB      SER  11  -5.515  -2.292  -2.998
   75    HG   SER  11           HG       SER  11  -7.405  -3.551  -3.217
   76    H    LYS  12           H        LYS  12  -4.088  -0.468  -1.445
   77    HA   LYS  12           HA       LYS  12  -3.528   1.923  -3.072
   78    HB2  LYS  12           2HB      LYS  12  -2.235   0.987  -0.507
   79    HB3  LYS  12           1HB      LYS  12  -1.686   2.363  -1.452
   80    HG2  LYS  12           2HG      LYS  12  -3.895   3.423  -1.121
   81    HG3  LYS  12           1HG      LYS  12  -4.352   2.072  -0.083
   82    HD2  LYS  12           2HD      LYS  12  -2.429   2.614   1.387
   83    HD3  LYS  12           1HD      LYS  12  -2.099   4.024   0.379
   84    HE2  LYS  12           2HE      LYS  12  -4.155   5.044   0.980
   85    HE3  LYS  12           1HE      LYS  12  -4.753   3.560   1.720
   86    HZ1  LYS  12           1HZ      LYS  12  -2.284   4.611   2.824
   87    HZ2  LYS  12           2HZ      LYS  12  -3.626   3.947   3.611
   88    HZ3  LYS  12           3HZ      LYS  12  -3.662   5.557   3.095
   89    H    GLY  13           H        GLY  13  -1.670   2.008  -4.316
   90    HA2  GLY  13           2HA      GLY  13   0.290   1.231  -5.306
   91    HA3  GLY  13           1HA      GLY  13   0.197  -0.209  -4.304
   92    H    TYR  14           H        TYR  14   0.792  -0.047  -7.133
   93    HA   TYR  14           HA       TYR  14  -1.540  -0.937  -8.556
   94    HB2  TYR  14           2HB      TYR  14   0.252   0.301  -9.690
   95    HB3  TYR  14           1HB      TYR  14   1.373  -1.015  -9.361
   96    HD1  TYR  14           1HD      TYR  14  -1.575   0.004 -11.316
   97    HD2  TYR  14           2HD      TYR  14   1.350  -3.017 -10.675
   98    HE1  TYR  14           1HE      TYR  14  -2.239  -1.077 -13.424
   99    HE2  TYR  14           2HE      TYR  14   0.697  -4.107 -12.780
  100    HH   TYR  14           HH       TYR  14  -1.548  -2.611 -15.006
  101    H    TRP  15           H        TRP  15  -2.320  -2.931  -8.553
  102    HA   TRP  15           HA       TRP  15  -0.708  -5.123  -7.466
  103    HB2  TRP  15           2HB      TRP  15  -2.740  -6.314  -7.157
  104    HB3  TRP  15           1HB      TRP  15  -3.075  -4.655  -6.676
  105    HD1  TRP  15           HD       TRP  15  -3.973  -7.250  -9.317
  106    HE1  TRP  15           1HE      TRP  15  -5.994  -6.401 -10.666
  107    HE3  TRP  15           3HE      TRP  15  -4.236  -2.485  -7.481
  108    HZ2  TRP  15           2HZ      TRP  15  -7.503  -4.029 -10.917
  109    HZ3  TRP  15           3HZ      TRP  15  -5.998  -0.992  -8.328
  110    HH2  TRP  15           HH       TRP  15  -7.598  -1.748 -10.011
  111    H    GLN  16           H        GLN  16   0.362  -6.419  -8.791
  112    HA   GLN  16           HA       GLN  16  -0.258  -6.517 -11.626
  113    HB2  GLN  16           2HB      GLN  16   2.094  -6.430 -10.805
  114    HB3  GLN  16           1HB      GLN  16   1.860  -7.998 -10.046
  115    HG2  GLN  16           2HG      GLN  16   1.475  -9.005 -12.233
  116    HG3  GLN  16           1HG      GLN  16   1.697  -7.431 -12.997
  117   HE21  GLN  16          1HE2      GLN  16   3.259  -9.415 -13.856
  118   HE22  GLN  16          2HE2      GLN  16   4.879  -9.229 -13.286
  119    H    GLU  17           H        GLU  17  -1.301  -8.038 -12.663
  120    HA   GLU  17           HA       GLU  17  -2.984  -9.806 -11.349
  121    HB2  GLU  17           2HB      GLU  17  -2.086  -9.842 -14.229
  122    HB3  GLU  17           1HB      GLU  17  -3.437 -10.766 -13.589
  123    HG2  GLU  17           2HG      GLU  17  -4.517  -8.644 -12.924
  124    HG3  GLU  17           1HG      GLU  17  -3.193  -7.771 -13.696
  125    H    ASP  18           H        ASP  18  -3.144 -12.064 -11.385
  126    HA   ASP  18           HA       ASP  18  -0.959 -13.516 -10.451
  127    HB2  ASP  18           2HB      ASP  18  -3.449 -14.530 -11.833
  128    HB3  ASP  18           1HB      ASP  18  -2.366 -15.491 -10.831
  129    H    GLU  19           H        GLU  19  -2.385 -13.449 -13.695
  130    HA   GLU  19           HA       GLU  19  -0.662 -15.369 -14.828
  131    HB2  GLU  19           2HB      GLU  19  -2.348 -13.205 -16.073
  132    HB3  GLU  19           1HB      GLU  19  -1.465 -14.399 -17.013
  133    HG2  GLU  19           2HG      GLU  19  -2.736 -16.185 -15.914
  134    HG3  GLU  19           1HG      GLU  19  -3.637 -14.971 -15.007
  135    H    ASP  20           H        ASP  20  -0.475 -11.832 -14.746
  136    HA   ASP  20           HA       ASP  20   1.720 -11.635 -16.503
  137    HB2  ASP  20           2HB      ASP  20   0.740  -9.751 -14.350
  138    HB3  ASP  20           1HB      ASP  20   2.025  -9.353 -15.486
  139    H    ALA  21           H        ALA  21   1.480 -12.184 -13.075
  140    HA   ALA  21           HA       ALA  21   4.426 -12.330 -12.912
  141    HB1  ALA  21           1HB      ALA  21   4.323 -11.083 -11.082
  142    HB2  ALA  21           2HB      ALA  21   3.262 -12.263 -10.314
  143    HB3  ALA  21           3HB      ALA  21   2.575 -10.955 -11.278
  144    HA   PRO  22           HA       PRO  22   2.848 -16.686 -12.403
  145    HB2  PRO  22           2HB      PRO  22   5.174 -17.343 -14.052
  146    HB3  PRO  22           1HB      PRO  22   3.474 -17.726 -14.312
  147    HG2  PRO  22           2HG      PRO  22   4.791 -15.945 -15.843
  148    HG3  PRO  22           1HG      PRO  22   3.068 -15.775 -15.461
  149    HD2  PRO  22           2HD      PRO  22   5.426 -14.385 -14.237
  150    HD3  PRO  22           1HD      PRO  22   3.845 -13.728 -14.702
  151    H    ALA  23           H        ALA  23   5.736 -15.000 -11.771
  152    HA   ALA  23           HA       ALA  23   6.501 -17.043  -9.806
  153    HB1  ALA  23           1HB      ALA  23   8.841 -15.745 -10.914
  154    HB2  ALA  23           2HB      ALA  23   7.942 -16.635 -12.144
  155    HB3  ALA  23           3HB      ALA  23   8.501 -17.461 -10.690
  156    H    CYS  24           H        CYS  24   7.880 -16.183  -8.070
  157    HA   CYS  24           HA       CYS  24   6.872 -13.788  -7.044
  158    HB2  CYS  24           2HB      CYS  24   7.939 -15.804  -5.832
  159    HB3  CYS  24           1HB      CYS  24   9.469 -14.986  -6.126
  160    HG   CYS  24           HG       CYS  24   7.466 -13.195  -4.724
  161    H    ASN  25           H        ASN  25   7.432 -11.762  -7.226
  162    HA   ASN  25           HA       ASN  25   9.416 -10.887  -9.060
  163    HB2  ASN  25           2HB      ASN  25   7.749  -9.401  -7.024
  164    HB3  ASN  25           1HB      ASN  25   8.805  -8.610  -8.190
  165   HD21  ASN  25          1HD2      ASN  25   5.753  -9.931  -7.617
  166   HD22  ASN  25          2HD2      ASN  25   5.129  -9.819  -9.225
  167    H    GLY  26           H        GLY  26   9.425 -11.515  -5.630
  168    HA2  GLY  26           2HA      GLY  26  11.746  -9.871  -5.140
  169    HA3  GLY  26           1HA      GLY  26  10.921 -10.889  -3.979
  170    H    CYS  27           H        CYS  27  11.179 -13.399  -4.775
  171    HA   CYS  27           HA       CYS  27  14.094 -13.716  -4.936
  172    HB2  CYS  27           2HB      CYS  27  13.854 -15.794  -3.762
  173    HB3  CYS  27           1HB      CYS  27  12.947 -14.560  -2.897
  174    HG   CYS  27           HG       CYS  27  10.755 -15.646  -3.681
  175    H    GLY  28           H        GLY  28  11.545 -13.923  -6.993
  176    HA2  GLY  28           2HA      GLY  28  11.481 -14.759  -9.136
  177    HA3  GLY  28           1HA      GLY  28  13.077 -15.442  -8.869
  178    H    CYS  29           H        CYS  29  11.089 -16.502  -6.399
  179    HA   CYS  29           HA       CYS  29  11.062 -19.156  -7.432
  180    HB2  CYS  29           2HB      CYS  29  10.071 -19.819  -5.394
  181    HB3  CYS  29           1HB      CYS  29  11.139 -18.488  -4.969
  182    HG   CYS  29           HG       CYS  29   8.433 -18.533  -4.100
  183    H    VAL  30           H        VAL  30   9.356 -20.377  -8.215
  184    HA   VAL  30           HA       VAL  30   7.288 -18.806  -9.489
  185    HB   VAL  30           HB       VAL  30   8.000 -20.349 -10.995
  186   HG11  VAL  30          1HG1      VAL  30   8.310 -22.189  -8.658
  187   HG12  VAL  30          2HG1      VAL  30   9.505 -21.695  -9.857
  188   HG13  VAL  30          3HG1      VAL  30   8.236 -22.839 -10.296
  189   HG21  VAL  30          1HG2      VAL  30   5.809 -21.944  -9.691
  190   HG22  VAL  30          2HG2      VAL  30   6.224 -21.865 -11.404
  191   HG23  VAL  30          3HG2      VAL  30   5.521 -20.459 -10.601
  192    H    PHE  31           H        PHE  31   5.114 -18.982  -9.243
  193    HA   PHE  31           HA       PHE  31   4.205 -19.907  -6.653
  194    HB2  PHE  31           2HB      PHE  31   2.675 -18.581  -8.905
  195    HB3  PHE  31           1HB      PHE  31   2.056 -18.883  -7.284
  196    HD1  PHE  31           2HD      PHE  31   3.189 -17.757  -5.336
  197    HD2  PHE  31           1HD      PHE  31   3.908 -16.651  -9.382
  198    HE1  PHE  31           2HE      PHE  31   4.097 -15.602  -4.583
  199    HE2  PHE  31           1HE      PHE  31   4.819 -14.493  -8.633
  200    HZ   PHE  31           HZ       PHE  31   4.916 -13.966  -6.230
  201    H    THR  32           H        THR  32   3.083 -21.654  -6.234
  202    HA   THR  32           HA       THR  32   2.131 -23.316  -8.473
  203    HB   THR  32           HB       THR  32   2.829 -25.306  -7.327
  204    HG1  THR  32           1HG      THR  32   3.842 -25.200  -5.309
  205   HG21  THR  32          1HG2      THR  32   5.320 -24.812  -6.921
  206   HG22  THR  32          2HG2      THR  32   4.932 -23.197  -7.516
  207   HG23  THR  32          3HG2      THR  32   4.658 -24.604  -8.542
  208    H    THR  33           H        THR  33   0.523 -25.007  -7.703
  209    HA   THR  33           HA       THR  33  -1.776 -23.841  -6.748
  210    HB   THR  33           HB       THR  33  -0.979 -26.736  -6.407
  211    HG1  THR  33           1HG      THR  33  -2.607 -25.998  -8.495
  212   HG21  THR  33          1HG2      THR  33  -3.667 -25.403  -6.457
  213   HG22  THR  33          2HG2      THR  33  -2.967 -26.393  -5.177
  214   HG23  THR  33          3HG2      THR  33  -3.428 -27.131  -6.710
  215    H    THR  34           H        THR  34   0.666 -25.597  -4.833
  216    HA   THR  34           HA       THR  34  -0.770 -25.353  -2.410
  217    HB   THR  34           HB       THR  34   2.215 -25.709  -2.780
  218    HG1  THR  34           1HG      THR  34   1.621 -27.958  -2.445
  219   HG21  THR  34          1HG2      THR  34   2.349 -25.682  -0.574
  220   HG22  THR  34          2HG2      THR  34   1.349 -27.134  -0.552
  221   HG23  THR  34          3HG2      THR  34   0.597 -25.545  -0.412
  222    H    VAL  35           H        VAL  35   1.604 -23.275  -4.001
  223    HA   VAL  35           HA       VAL  35   1.727 -21.495  -1.722
  224    HB   VAL  35           HB       VAL  35   2.908 -21.284  -4.482
  225   HG11  VAL  35          1HG1      VAL  35   4.219 -19.390  -3.531
  226   HG12  VAL  35          2HG1      VAL  35   3.158 -19.433  -2.122
  227   HG13  VAL  35          3HG1      VAL  35   2.495 -19.057  -3.713
  228   HG21  VAL  35          1HG2      VAL  35   4.449 -22.650  -3.636
  229   HG22  VAL  35          2HG2      VAL  35   3.769 -22.518  -2.013
  230   HG23  VAL  35          3HG2      VAL  35   4.924 -21.315  -2.585
  231    H    ARG  36           H        ARG  36   0.158 -20.173  -1.339
  232    HA   ARG  36           HA       ARG  36  -1.743 -19.281  -3.290
  233    HB2  ARG  36           2HB      ARG  36  -1.233 -18.377  -0.449
  234    HB3  ARG  36           1HB      ARG  36  -2.606 -17.881  -1.430
  235    HG2  ARG  36           2HG      ARG  36  -1.994 -20.724  -0.642
  236    HG3  ARG  36           1HG      ARG  36  -3.149 -19.668   0.178
  237    HD2  ARG  36           2HD      ARG  36  -4.369 -19.428  -1.970
  238    HD3  ARG  36           1HD      ARG  36  -3.269 -20.606  -2.685
  239    HE   ARG  36           HE       ARG  36  -5.500 -21.144  -0.980
  240   HH11  ARG  36          1HH1      ARG  36  -2.360 -22.293  -1.963
  241   HH12  ARG  36          2HH1      ARG  36  -2.699 -23.945  -1.569
  242   HH21  ARG  36          1HH2      ARG  36  -5.955 -23.317  -0.460
  243   HH22  ARG  36          2HH2      ARG  36  -4.740 -24.527  -0.711
  244    H    ARG  37           H        ARG  37  -1.974 -17.267  -4.181
  245    HA   ARG  37           HA       ARG  37   0.487 -15.752  -4.435
  246    HB2  ARG  37           2HB      ARG  37  -0.953 -16.384  -6.393
  247    HB3  ARG  37           1HB      ARG  37  -2.167 -15.267  -5.790
  248    HG2  ARG  37           2HG      ARG  37  -0.579 -13.424  -6.016
  249    HG3  ARG  37           1HG      ARG  37   0.628 -14.553  -6.632
  250    HD2  ARG  37           2HD      ARG  37  -2.058 -14.077  -7.901
  251    HD3  ARG  37           1HD      ARG  37  -0.571 -13.279  -8.405
  252    HE   ARG  37           HE       ARG  37   0.136 -15.248  -9.384
  253   HH11  ARG  37          1HH1      ARG  37  -2.777 -15.800  -7.546
  254   HH12  ARG  37          2HH1      ARG  37  -3.036 -17.385  -8.196
  255   HH21  ARG  37          1HH2      ARG  37  -0.208 -17.331 -10.246
  256   HH22  ARG  37          2HH2      ARG  37  -1.579 -18.253  -9.730
  257    H    HIS  38           H        HIS  38   0.794 -13.635  -3.824
  258    HA   HIS  38           HA       HIS  38  -1.394 -12.226  -2.514
  259    HB2  HIS  38           2HB      HIS  38   1.237 -12.826  -1.153
  260    HB3  HIS  38           1HB      HIS  38   0.023 -11.709  -0.542
  261    HD1  HIS  38           1HD      HIS  38  -2.472 -12.997  -0.280
  262    HD2  HIS  38           2HD      HIS  38   0.996 -15.274  -0.038
  263    HE1  HIS  38           1HE      HIS  38  -3.138 -15.111   0.905
  264    HE2  HIS  38           2HE      HIS  38  -1.002 -16.427   1.130
  265    H    HIS  39           H        HIS  39  -0.603  -9.997  -1.781
  266    HA   HIS  39           HA       HIS  39   1.345  -8.922  -3.722
  267    HB2  HIS  39           2HB      HIS  39  -1.286  -7.628  -2.987
  268    HB3  HIS  39           1HB      HIS  39  -0.093  -6.998  -4.119
  269    HD1  HIS  39           1HD      HIS  39   0.380  -8.813  -6.203
  270    HD2  HIS  39           2HD      HIS  39  -3.272  -8.961  -4.227
  271    HE1  HIS  39           1HE      HIS  39  -1.181 -10.012  -7.766
  272    HE2  HIS  39           2HE      HIS  39  -3.413  -9.982  -6.599
  273    H    CYS  40           H        CYS  40   2.507  -7.086  -3.099
  274    HA   CYS  40           HA       CYS  40   2.685  -6.662  -0.216
  275    HB2  CYS  40           2HB      CYS  40   4.792  -7.060  -1.362
  276    HB3  CYS  40           1HB      CYS  40   4.426  -5.810  -2.546
  277    HG   CYS  40           HG       CYS  40   4.711  -4.828   0.347
  278    H    ARG  41           H        ARG  41   2.105  -4.763   0.740
  279    HA   ARG  41           HA       ARG  41   0.318  -3.072  -0.670
  280    HB2  ARG  41           2HB      ARG  41   1.493  -2.783   2.095
  281    HB3  ARG  41           1HB      ARG  41   0.142  -1.848   1.464
  282    HG2  ARG  41           2HG      ARG  41  -1.078  -4.012   1.127
  283    HG3  ARG  41           1HG      ARG  41   0.230  -4.803   2.008
  284    HD2  ARG  41           2HD      ARG  41  -1.525  -4.369   3.562
  285    HD3  ARG  41           1HD      ARG  41  -0.212  -3.242   3.908
  286    HE   ARG  41           HE       ARG  41  -1.780  -1.812   2.257
  287   HH11  ARG  41          1HH1      ARG  41  -2.483  -3.670   5.121
  288   HH12  ARG  41          2HH1      ARG  41  -3.821  -2.676   5.590
  289   HH21  ARG  41          1HH2      ARG  41  -3.541  -0.506   2.863
  290   HH22  ARG  41          2HH2      ARG  41  -4.423  -0.876   4.308
  291    H    ASN  42           H        ASN  42   3.636  -3.029  -0.620
  292    HA   ASN  42           HA       ASN  42   3.825  -0.113  -0.840
  293    HB2  ASN  42           2HB      ASN  42   5.923  -2.256  -0.496
  294    HB3  ASN  42           1HB      ASN  42   6.316  -0.573  -0.814
  295   HD21  ASN  42          1HD2      ASN  42   6.311  -2.687   1.538
  296   HD22  ASN  42          2HD2      ASN  42   5.876  -1.700   2.885
  297    H    CYS  43           H        CYS  43   5.523  -2.779  -2.483
  298    HA   CYS  43           HA       CYS  43   5.764  -1.220  -4.861
  299    HB2  CYS  43           2HB      CYS  43   6.868  -3.191  -5.811
  300    HB3  CYS  43           1HB      CYS  43   7.510  -2.801  -4.220
  301    HG   CYS  43           HG       CYS  43   7.125  -5.183  -3.782
  302    H    GLY  44           H        GLY  44   3.483  -3.541  -3.689
  303    HA2  GLY  44           2HA      GLY  44   1.426  -4.126  -4.546
  304    HA3  GLY  44           1HA      GLY  44   1.708  -2.996  -5.862
  305    H    TYR  45           H        TYR  45   4.096  -5.401  -5.300
  306    HA   TYR  45           HA       TYR  45   3.309  -6.726  -7.788
  307    HB2  TYR  45           2HB      TYR  45   5.905  -6.924  -6.250
  308    HB3  TYR  45           1HB      TYR  45   5.576  -7.645  -7.820
  309    HD1  TYR  45           2HD      TYR  45   4.189  -5.441  -9.201
  310    HD2  TYR  45           1HD      TYR  45   7.599  -5.373  -6.658
  311    HE1  TYR  45           2HE      TYR  45   4.971  -3.393 -10.314
  312    HE2  TYR  45           1HE      TYR  45   8.390  -3.324  -7.763
  313    HH   TYR  45           HH       TYR  45   8.073  -1.909  -9.463
  314    H    VAL  46           H        VAL  46   3.569  -9.068  -7.915
  315    HA   VAL  46           HA       VAL  46   2.175 -10.285  -5.735
  316    HB   VAL  46           HB       VAL  46   3.289 -11.522  -8.258
  317   HG11  VAL  46          1HG1      VAL  46   1.310 -12.734  -6.343
  318   HG12  VAL  46          2HG1      VAL  46   3.033 -13.107  -6.329
  319   HG13  VAL  46          3HG1      VAL  46   2.057 -13.495  -7.747
  320   HG21  VAL  46          1HG2      VAL  46   0.394 -11.382  -7.900
  321   HG22  VAL  46          2HG2      VAL  46   1.384 -10.948  -9.292
  322   HG23  VAL  46          3HG2      VAL  46   1.169  -9.801  -7.971
  323    H    LEU  47           H        LEU  47   2.962 -11.412  -4.078
  324    HA   LEU  47           HA       LEU  47   5.723 -12.425  -4.212
  325    HB2  LEU  47           2HB      LEU  47   4.444 -10.882  -1.955
  326    HB3  LEU  47           1HB      LEU  47   5.889 -11.844  -1.749
  327    HG   LEU  47           HG       LEU  47   6.338  -9.432  -1.973
  328   HD11  LEU  47          1HD1      LEU  47   8.236 -10.540  -2.521
  329   HD12  LEU  47          2HD1      LEU  47   7.910  -9.773  -4.073
  330   HD13  LEU  47          3HD1      LEU  47   7.464 -11.458  -3.813
  331   HD21  LEU  47          1HD2      LEU  47   5.582  -8.154  -3.624
  332   HD22  LEU  47          2HD2      LEU  47   4.444  -9.464  -3.931
  333   HD23  LEU  47          3HD2      LEU  47   5.944  -9.366  -4.854
  334    H    CYS  48           H        CYS  48   6.052 -14.385  -3.237
  335    HA   CYS  48           HA       CYS  48   3.695 -15.921  -2.580
  336    HB2  CYS  48           2HB      CYS  48   5.108 -17.828  -2.549
  337    HB3  CYS  48           1HB      CYS  48   5.741 -16.811  -3.841
  338    HG   CYS  48           HG       CYS  48   7.582 -16.043  -1.983
  339    H    GLY  49           H        GLY  49   4.170 -17.472  -0.475
  340    HA2  GLY  49           2HA      GLY  49   3.795 -15.813   1.728
  341    HA3  GLY  49           1HA      GLY  49   4.241 -17.510   1.818
  342    H    ASP  50           H        ASP  50   6.700 -17.674   0.876
  343    HA   ASP  50           HA       ASP  50   8.335 -16.817   2.947
  344    HB2  ASP  50           2HB      ASP  50   8.979 -17.727   0.148
  345    HB3  ASP  50           1HB      ASP  50  10.231 -17.346   1.323
  346    H    CYS  51           H        CYS  51   7.662 -15.224  -0.095
  347    HA   CYS  51           HA       CYS  51   9.657 -13.181   0.440
  348    HB2  CYS  51           2HB      CYS  51   7.972 -13.929  -1.884
  349    HB3  CYS  51           1HB      CYS  51   8.429 -12.235  -1.746
  350    HG   CYS  51           HG       CYS  51  10.937 -12.985  -1.853
  351    H    SER  52           H        SER  52   6.613 -13.755   1.511
  352    HA   SER  52           HA       SER  52   6.128 -10.902   1.976
  353    HB2  SER  52           2HB      SER  52   3.722 -11.232   1.699
  354    HB3  SER  52           1HB      SER  52   4.561 -11.713   0.223
  355    HG   SER  52           HG       SER  52   3.195 -13.262   2.089
  356    H    ARG  53           H        ARG  53   7.382 -13.104   3.516
  357    HA   ARG  53           HA       ARG  53   5.505 -13.728   5.617
  358    HB2  ARG  53           2HB      ARG  53   8.443 -14.295   5.248
  359    HB3  ARG  53           1HB      ARG  53   7.618 -14.644   6.762
  360    HG2  ARG  53           2HG      ARG  53   6.020 -16.060   5.426
  361    HG3  ARG  53           1HG      ARG  53   7.113 -15.848   4.059
  362    HD2  ARG  53           2HD      ARG  53   8.949 -16.775   5.450
  363    HD3  ARG  53           1HD      ARG  53   7.766 -17.109   6.713
  364    HE   ARG  53           HE       ARG  53   7.081 -18.259   4.174
  365   HH11  ARG  53          1HH1      ARG  53   8.894 -18.708   7.117
  366   HH12  ARG  53          2HH1      ARG  53   8.923 -20.435   6.986
  367   HH21  ARG  53          1HH2      ARG  53   7.113 -20.529   3.996
  368   HH22  ARG  53          2HH2      ARG  53   7.910 -21.470   5.213
  369    H    HIS  54           H        HIS  54   7.663 -11.142   4.894
  370    HA   HIS  54           HA       HIS  54   8.099 -10.378   7.625
  371    HB2  HIS  54           2HB      HIS  54   8.582  -8.921   5.023
  372    HB3  HIS  54           1HB      HIS  54   9.019  -8.275   6.596
  373    HD1  HIS  54           1HD      HIS  54  10.905  -9.623   7.912
  374    HD2  HIS  54           2HD      HIS  54  10.403 -10.644   3.917
  375    HE1  HIS  54           1HE      HIS  54  12.994 -10.866   7.270
  376    HE2  HIS  54           2HE      HIS  54  12.626 -11.554   4.875
  377    H    ARG  55           H        ARG  55   7.474  -8.224   8.414
  378    HA   ARG  55           HA       ARG  55   4.977  -7.202   7.302
  379    HB2  ARG  55           2HB      ARG  55   5.300  -7.939  10.218
  380    HB3  ARG  55           1HB      ARG  55   3.898  -7.151   9.498
  381    HG2  ARG  55           2HG      ARG  55   3.629  -9.161   8.036
  382    HG3  ARG  55           1HG      ARG  55   4.880  -9.947   9.000
  383    HD2  ARG  55           2HD      ARG  55   2.783 -10.634   9.882
  384    HD3  ARG  55           1HD      ARG  55   3.471  -9.479  11.025
  385    HE   ARG  55           HE       ARG  55   1.671  -8.135  10.648
  386   HH11  ARG  55          1HH1      ARG  55   2.027 -10.301   7.948
  387   HH12  ARG  55          2HH1      ARG  55   0.588  -9.757   7.153
  388   HH21  ARG  55          1HH2      ARG  55  -0.223  -7.403   9.608
  389   HH22  ARG  55          2HH2      ARG  55  -0.693  -8.110   8.099
  390    H    ALA  56           H        ALA  56   4.799  -5.046   7.420
  391    HA   ALA  56           HA       ALA  56   6.331  -3.493   9.326
  392    HB1  ALA  56           1HB      ALA  56   7.392  -2.166   7.379
  393    HB2  ALA  56           2HB      ALA  56   7.111  -3.634   6.444
  394    HB3  ALA  56           3HB      ALA  56   8.128  -3.686   7.885
  395    H    ALA  57           H        ALA  57   5.784  -1.250   9.358
  396    HA   ALA  57           HA       ALA  57   3.134  -0.725   8.272
  397    HB1  ALA  57           1HB      ALA  57   3.410  -0.160  10.584
  398    HB2  ALA  57           2HB      ALA  57   3.304   1.351   9.680
  399    HB3  ALA  57           3HB      ALA  57   4.871   0.766  10.241
  400    H    ILE  58           H        ILE  58   2.702   1.106   6.926
  401    HA   ILE  58           HA       ILE  58   5.087   2.243   5.635
  402    HB   ILE  58           HB       ILE  58   2.545   1.790   4.124
  403   HG12  ILE  58          2HG1      ILE  58   4.756  -0.259   4.401
  404   HG13  ILE  58          1HG1      ILE  58   3.202  -0.368   5.221
  405   HG21  ILE  58          1HG2      ILE  58   4.032   1.755   2.225
  406   HG22  ILE  58          2HG2      ILE  58   5.439   1.788   3.283
  407   HG23  ILE  58          3HG2      ILE  58   4.366   3.184   3.201
  408   HD11  ILE  58          1HD1      ILE  58   2.175  -1.136   3.401
  409   HD12  ILE  58          2HD1      ILE  58   3.800  -1.476   2.810
  410   HD13  ILE  58          3HD1      ILE  58   2.984   0.014   2.337
  411    HA   PRO  59           HA       PRO  59   2.486   5.658   7.313
  412    HB2  PRO  59           2HB      PRO  59   4.591   7.268   7.921
  413    HB3  PRO  59           1HB      PRO  59   3.965   6.023   9.006
  414    HG2  PRO  59           2HG      PRO  59   6.320   5.914   7.162
  415    HG3  PRO  59           1HG      PRO  59   6.174   5.322   8.827
  416    HD2  PRO  59           2HD      PRO  59   6.001   3.679   6.688
  417    HD3  PRO  59           1HD      PRO  59   5.079   3.395   8.179
  418    H    MET  60           H        MET  60   4.610   5.393   4.613
  419    HA   MET  60           HA       MET  60   4.153   8.138   3.763
  420    HB2  MET  60           2HB      MET  60   5.548   5.789   2.463
  421    HB3  MET  60           1HB      MET  60   5.390   7.372   1.715
  422    HG2  MET  60           2HG      MET  60   6.626   8.348   3.624
  423    HG3  MET  60           1HG      MET  60   6.864   6.720   4.257
  424    HE1  MET  60           1HE      MET  60   9.685   8.781   3.179
  425    HE2  MET  60           2HE      MET  60  10.367   7.161   3.324
  426    HE3  MET  60           3HE      MET  60   9.120   7.698   4.450
  427    H    ARG  61           H        ARG  61   3.152   4.868   3.089
  428    HA   ARG  61           HA       ARG  61   1.397   5.611   0.910
  429    HB2  ARG  61           2HB      ARG  61   1.593   2.983   2.385
  430    HB3  ARG  61           1HB      ARG  61   0.852   3.257   0.814
  431    HG2  ARG  61           2HG      ARG  61   3.777   3.597   1.447
  432    HG3  ARG  61           1HG      ARG  61   3.057   2.211   0.627
  433    HD2  ARG  61           2HD      ARG  61   2.875   5.046  -0.369
  434    HD3  ARG  61           1HD      ARG  61   4.118   3.904  -0.880
  435    HE   ARG  61           HE       ARG  61   1.802   2.584  -1.370
  436   HH11  ARG  61          1HH1      ARG  61   3.007   5.733  -2.230
  437   HH12  ARG  61          2HH1      ARG  61   2.150   5.795  -3.733
  438   HH21  ARG  61          1HH2      ARG  61   0.659   2.656  -3.339
  439   HH22  ARG  61          2HH2      ARG  61   0.809   4.045  -4.362
  440    H    GLY  62           H        GLY  62   1.220   6.040   4.117
  441    HA2  GLY  62           2HA      GLY  62  -0.661   6.933   5.236
  442    HA3  GLY  62           1HA      GLY  62  -1.703   6.145   4.059
  443    H    ILE  63           H        ILE  63   0.659   4.010   5.094
  444    HA   ILE  63           HA       ILE  63  -1.263   2.654   6.828
  445    HB   ILE  63           HB       ILE  63   1.327   1.676   5.607
  446   HG12  ILE  63          2HG1      ILE  63  -1.514   0.994   4.830
  447   HG13  ILE  63          1HG1      ILE  63  -0.533   2.199   4.003
  448   HG21  ILE  63          1HG2      ILE  63   0.459  -0.581   6.213
  449   HG22  ILE  63          2HG2      ILE  63  -0.793   0.218   7.169
  450   HG23  ILE  63          3HG2      ILE  63   0.908   0.428   7.590
  451   HD11  ILE  63          1HD1      ILE  63  -0.674  -0.129   2.987
  452   HD12  ILE  63          2HD1      ILE  63   0.388  -0.632   4.302
  453   HD13  ILE  63          3HD1      ILE  63   0.926   0.595   3.153
  454    H    THR  64           H        THR  64  -1.075   3.517   8.847
  455    HA   THR  64           HA       THR  64   1.537   4.109   9.961
  456    HB   THR  64           HB       THR  64   0.274   4.941  11.909
  457    HG1  THR  64           1HG      THR  64  -1.584   3.353  11.123
  458   HG21  THR  64          1HG2      THR  64  -0.740   6.829  10.908
  459   HG22  THR  64          2HG2      THR  64  -0.985   5.971   9.385
  460   HG23  THR  64          3HG2      THR  64   0.647   6.392   9.908
  461    H    GLU  65           H        GLU  65  -0.623   1.473   9.942
  462    HA   GLU  65           HA       GLU  65   0.620   0.325  12.343
  463    HB2  GLU  65           2HB      GLU  65  -1.725  -0.779  10.790
  464    HB3  GLU  65           1HB      GLU  65  -1.194  -1.242  12.401
  465    HG2  GLU  65           2HG      GLU  65  -1.683   1.504  12.539
  466    HG3  GLU  65           1HG      GLU  65  -3.009   0.830  11.594
  467    HA   PRO  66           HA       PRO  66   3.260  -2.168   9.888
  468    HB2  PRO  66           2HB      PRO  66   2.687  -4.392  11.779
  469    HB3  PRO  66           1HB      PRO  66   4.239  -3.679  11.331
  470    HG2  PRO  66           2HG      PRO  66   3.124  -3.186  13.712
  471    HG3  PRO  66           1HG      PRO  66   4.025  -1.935  12.837
  472    HD2  PRO  66           2HD      PRO  66   1.073  -2.279  13.153
  473    HD3  PRO  66           1HD      PRO  66   2.037  -0.789  13.102
  474    H    GLU  67           H        GLU  67   2.735  -3.030   8.018
  475    HA   GLU  67           HA       GLU  67   0.567  -5.014   7.901
  476    HB2  GLU  67           2HB      GLU  67   1.210  -2.861   5.877
  477    HB3  GLU  67           1HB      GLU  67  -0.004  -4.109   5.666
  478    HG2  GLU  67           2HG      GLU  67  -0.023  -1.968   7.773
  479    HG3  GLU  67           1HG      GLU  67  -1.014  -2.006   6.317
  480    H    ARG  68           H        ARG  68   0.685  -6.358   5.869
  481    HA   ARG  68           HA       ARG  68   3.238  -7.591   5.733
  482    HB2  ARG  68           2HB      ARG  68   2.205  -9.124   4.156
  483    HB3  ARG  68           1HB      ARG  68   1.159  -8.852   5.543
  484    HG2  ARG  68           2HG      ARG  68  -0.085  -7.175   4.150
  485    HG3  ARG  68           1HG      ARG  68   0.861  -7.730   2.768
  486    HD2  ARG  68           2HD      ARG  68   0.029 -10.037   3.215
  487    HD3  ARG  68           1HD      ARG  68  -1.018  -9.365   4.466
  488    HE   ARG  68           HE       ARG  68  -1.461  -9.309   1.650
  489   HH11  ARG  68          1HH1      ARG  68  -2.003  -7.553   4.609
  490   HH12  ARG  68          2HH1      ARG  68  -3.413  -6.738   4.019
  491   HH21  ARG  68          1HH2      ARG  68  -3.310  -8.240   0.862
  492   HH22  ARG  68          2HH2      ARG  68  -4.156  -7.129   1.885
  493    H    VAL  69           H        VAL  69   4.776  -7.553   4.265
  494    HA   VAL  69           HA       VAL  69   4.462  -6.145   1.725
  495    HB   VAL  69           HB       VAL  69   6.517  -4.844   2.049
  496   HG11  VAL  69          1HG1      VAL  69   4.570  -3.595   2.367
  497   HG12  VAL  69          2HG1      VAL  69   5.543  -3.246   3.800
  498   HG13  VAL  69          3HG1      VAL  69   4.203  -4.386   3.902
  499   HG21  VAL  69          1HG2      VAL  69   7.206  -4.541   4.525
  500   HG22  VAL  69          2HG2      VAL  69   7.774  -5.966   3.654
  501   HG23  VAL  69          3HG2      VAL  69   6.416  -6.100   4.770
  502    H    CYS  70           H        CYS  70   6.807  -6.254   0.633
  503    HA   CYS  70           HA       CYS  70   7.572  -9.066   0.764
  504    HB2  CYS  70           2HB      CYS  70   8.323  -8.901  -1.426
  505    HB3  CYS  70           1HB      CYS  70   6.985  -7.762  -1.428
  506    HG   CYS  70           HG       CYS  70   9.289  -6.861  -2.545
  507    H    ASP  71           H        ASP  71  10.211  -8.717  -0.315
  508    HA   ASP  71           HA       ASP  71  11.530  -7.983   2.168
  509    HB2  ASP  71           2HB      ASP  71  12.154 -10.060   0.947
  510    HB3  ASP  71           1HB      ASP  71  12.757  -9.067  -0.377
  511    H    ALA  72           H        ALA  72  11.603  -6.827  -1.195
  512    HA   ALA  72           HA       ALA  72  13.637  -4.910  -0.740
  513    HB1  ALA  72           1HB      ALA  72  11.792  -4.125  -2.823
  514    HB2  ALA  72           2HB      ALA  72  12.232  -5.828  -2.943
  515    HB3  ALA  72           3HB      ALA  72  13.489  -4.591  -2.932
  516    H    CYS  73           H        CYS  73  10.102  -4.643  -0.715
  517    HA   CYS  73           HA       CYS  73   9.987  -1.868  -0.240
  518    HB2  CYS  73           2HB      CYS  73   7.954  -3.938   0.621
  519    HB3  CYS  73           1HB      CYS  73   7.670  -2.227   0.315
  520    HG   CYS  73           HG       CYS  73   8.659  -3.439  -2.209
  521    H    TYR  74           H        TYR  74  10.094  -4.658   1.927
  522    HA   TYR  74           HA       TYR  74   9.673  -3.308   4.345
  523    HB2  TYR  74           2HB      TYR  74   9.697  -5.779   4.098
  524    HB3  TYR  74           1HB      TYR  74  11.435  -5.719   3.836
  525    HD1  TYR  74           2HD      TYR  74   8.764  -5.163   6.334
  526    HD2  TYR  74           1HD      TYR  74  12.946  -5.576   5.664
  527    HE1  TYR  74           2HE      TYR  74   9.128  -5.364   8.755
  528    HE2  TYR  74           1HE      TYR  74  13.318  -5.781   8.086
  529    HH   TYR  74           HH       TYR  74  10.602  -5.692  10.376
  530    H    LEU  75           H        LEU  75  12.580  -3.854   2.440
  531    HA   LEU  75           HA       LEU  75  14.412  -2.688   4.279
  532    HB2  LEU  75           2HB      LEU  75  14.472  -3.557   1.442
  533    HB3  LEU  75           1HB      LEU  75  15.721  -2.453   1.977
  534    HG   LEU  75           HG       LEU  75  15.174  -4.981   3.495
  535   HD11  LEU  75          1HD1      LEU  75  15.483  -5.639   1.165
  536   HD12  LEU  75          2HD1      LEU  75  16.862  -6.115   2.154
  537   HD13  LEU  75          3HD1      LEU  75  16.979  -4.708   1.097
  538   HD21  LEU  75          1HD2      LEU  75  17.654  -3.308   3.100
  539   HD22  LEU  75          2HD2      LEU  75  17.514  -4.736   4.125
  540   HD23  LEU  75          3HD2      LEU  75  16.605  -3.278   4.518
  541    H    ALA  76           H        ALA  76  12.949  -1.407   1.291
  542    HA   ALA  76           HA       ALA  76  14.195   1.079   1.356
  543    HB1  ALA  76           1HB      ALA  76  11.951  -0.108  -0.058
  544    HB2  ALA  76           2HB      ALA  76  13.172   1.030  -0.625
  545    HB3  ALA  76           3HB      ALA  76  11.743   1.621   0.222
  546    H    LEU  77           H        LEU  77  11.155   0.065   2.850
  547    HA   LEU  77           HA       LEU  77  10.447   2.620   3.847
  548    HB2  LEU  77           2HB      LEU  77   9.686  -0.158   4.717
  549    HB3  LEU  77           1HB      LEU  77   9.018   1.287   5.444
  550    HG   LEU  77           HG       LEU  77   8.765   0.572   2.523
  551   HD11  LEU  77          1HD1      LEU  77   7.524  -1.033   3.751
  552   HD12  LEU  77          2HD1      LEU  77   6.374   0.162   3.152
  553   HD13  LEU  77          3HD1      LEU  77   6.884   0.199   4.839
  554   HD21  LEU  77          1HD2      LEU  77   7.134   2.358   2.438
  555   HD22  LEU  77          2HD2      LEU  77   8.672   2.989   3.027
  556   HD23  LEU  77          3HD2      LEU  77   7.356   2.680   4.159
  557    H    ARG  78           H        ARG  78  12.393  -0.013   5.126
  558    HA   ARG  78           HA       ARG  78  12.643   0.999   7.752
  559    HB2  ARG  78           2HB      ARG  78  14.200  -0.983   6.137
  560    HB3  ARG  78           1HB      ARG  78  14.745  -0.497   7.735
  561    HG2  ARG  78           2HG      ARG  78  12.549  -1.204   8.642
  562    HG3  ARG  78           1HG      ARG  78  12.128  -1.809   7.039
  563    HD2  ARG  78           2HD      ARG  78  13.515  -3.593   7.199
  564    HD3  ARG  78           1HD      ARG  78  14.711  -2.707   8.145
  565    HE   ARG  78           HE       ARG  78  12.212  -3.418   9.467
  566   HH11  ARG  78          1HH1      ARG  78  15.600  -4.082   8.963
  567   HH12  ARG  78          2HH1      ARG  78  15.763  -5.008  10.416
  568   HH21  ARG  78          1HH2      ARG  78  12.425  -4.646  11.377
  569   HH22  ARG  78          2HH2      ARG  78  13.961  -5.335  11.782
  570    H    SER  79           H        SER  79  13.780   2.292   4.901
  571    HA   SER  79           HA       SER  79  16.404   3.044   5.482
  572    HB2  SER  79           2HB      SER  79  16.138   4.737   3.780
  573    HB3  SER  79           1HB      SER  79  15.260   3.297   3.265
  574    HG   SER  79           HG       SER  79  13.467   4.387   3.338
  575    H    SER  80           H        SER  80  13.429   4.084   6.827
  576    HA   SER  80           HA       SER  80  14.755   6.379   8.109
  577    HB2  SER  80           2HB      SER  80  11.791   5.877   7.731
  578    HB3  SER  80           1HB      SER  80  12.511   7.301   8.482
  579    HG   SER  80           HG       SER  80  12.077   7.790   6.353
  580    H    ASN  81           H        ASN  81  14.452   6.702  10.351
  581    HA   ASN  81           HA       ASN  81  14.541   4.364  11.916
  582    HB2  ASN  81           2HB      ASN  81  14.055   7.222  12.792
  583    HB3  ASN  81           1HB      ASN  81  14.535   5.894  13.844
  584   HD21  ASN  81          1HD2      ASN  81  15.892   8.394  13.338
  585   HD22  ASN  81          2HD2      ASN  81  17.453   7.989  12.716
  586    H    MET  82           H        MET  82  13.087   3.593  13.505
  587    HA   MET  82           HA       MET  82  10.316   3.821  12.711
  588    HB2  MET  82           2HB      MET  82  11.651   2.154  14.852
  589    HB3  MET  82           1HB      MET  82   9.951   2.049  14.415
  590    HG2  MET  82           2HG      MET  82  10.611   1.404  12.130
  591    HG3  MET  82           1HG      MET  82  12.299   1.428  12.638
  592    HE1  MET  82           1HE      MET  82  11.161  -1.473  11.380
  593    HE2  MET  82           2HE      MET  82  12.249  -2.285  12.505
  594    HE3  MET  82           3HE      MET  82  12.719  -0.750  11.778
  595    H    ALA  83           H        ALA  83   8.640   4.629  13.940
  596    HA   ALA  83           HA       ALA  83   9.264   6.750  15.719
  597    HB1  ALA  83           1HB      ALA  83   7.244   6.557  14.191
  598    HB2  ALA  83           2HB      ALA  83   6.949   7.163  15.820
  599    HB3  ALA  83           3HB      ALA  83   6.550   5.493  15.414
  600    H    GLY  84           H        GLY  84   9.125   3.435  16.204
  601    HA2  GLY  84           2HA      GLY  84   9.901   3.136  18.687
  602    HA3  GLY  84           1HA      GLY  84   8.246   3.646  18.988
  Start of MODEL   21
    1    H1   GLY   1           1HT      GLY   1  -8.279  17.307  -9.343
    2    H2   GLY   1           2HT      GLY   1  -8.000  15.951 -10.314
    3    H3   GLY   1           3HT      GLY   1  -9.262  17.012 -10.688
    4    HA2  GLY   1           1HA      GLY   1  -7.947  18.246 -11.935
    5    HA3  GLY   1           2HA      GLY   1  -6.901  18.503 -10.555
    6    HA   PRO   2           HA       PRO   2  -3.925  16.471 -13.264
    7    HB2  PRO   2           2HB      PRO   2  -1.927  16.289 -11.342
    8    HB3  PRO   2           1HB      PRO   2  -2.181  17.662 -12.415
    9    HG2  PRO   2           2HG      PRO   2  -2.919  17.324  -9.562
   10    HG3  PRO   2           1HG      PRO   2  -2.457  18.787 -10.442
   11    HD2  PRO   2           2HD      PRO   2  -5.018  18.195  -9.728
   12    HD3  PRO   2           1HD      PRO   2  -4.595  19.199 -11.130
   13    H    LEU   3           H        LEU   3  -4.151  15.495  -9.890
   14    HA   LEU   3           HA       LEU   3  -4.970  12.859 -10.312
   15    HB2  LEU   3           2HB      LEU   3  -2.024  13.317 -10.239
   16    HB3  LEU   3           1HB      LEU   3  -2.633  11.982  -9.288
   17    HG   LEU   3           HG       LEU   3  -2.459  12.270 -12.255
   18   HD11  LEU   3          1HD1      LEU   3  -1.588  10.031 -12.074
   19   HD12  LEU   3          2HD1      LEU   3  -2.069   9.946 -10.379
   20   HD13  LEU   3          3HD1      LEU   3  -0.790  11.053 -10.874
   21   HD21  LEU   3          1HD2      LEU   3  -3.970  10.176 -12.309
   22   HD22  LEU   3          2HD2      LEU   3  -4.735  11.762 -12.233
   23   HD23  LEU   3          3HD2      LEU   3  -4.602  10.776 -10.781
   24    H    GLY   4           H        GLY   4  -2.733  14.741  -8.320
   25    HA2  GLY   4           2HA      GLY   4  -2.534  14.957  -6.033
   26    HA3  GLY   4           1HA      GLY   4  -4.245  15.326  -6.159
   27    H    SER   5           H        SER   5  -5.338  14.289  -4.643
   28    HA   SER   5           HA       SER   5  -4.374  11.831  -3.502
   29    HB2  SER   5           2HB      SER   5  -6.858  12.060  -2.466
   30    HB3  SER   5           1HB      SER   5  -5.460  12.927  -1.828
   31    HG   SER   5           HG       SER   5  -6.265  14.742  -2.531
   32    H    MET   6           H        MET   6  -6.831  12.829  -5.801
   33    HA   MET   6           HA       MET   6  -8.397  10.564  -6.021
   34    HB2  MET   6           2HB      MET   6  -7.423  12.315  -8.290
   35    HB3  MET   6           1HB      MET   6  -8.804  11.234  -8.355
   36    HG2  MET   6           2HG      MET   6  -8.598  13.558  -6.456
   37    HG3  MET   6           1HG      MET   6  -9.344  13.651  -8.053
   38    HE1  MET   6           1HE      MET   6  -9.109  12.090  -4.770
   39    HE2  MET   6           2HE      MET   6 -10.293  10.783  -4.833
   40    HE3  MET   6           3HE      MET   6 -10.740  12.346  -4.149
   41    H    GLY   7           H        GLY   7  -5.094  11.020  -6.989
   42    HA2  GLY   7           2HA      GLY   7  -4.782   9.021  -8.895
   43    HA3  GLY   7           1HA      GLY   7  -3.526   9.577  -7.802
   44    H    GLU   8           H        GLU   8  -5.312   8.709  -5.476
   45    HA   GLU   8           HA       GLU   8  -4.085   6.353  -4.837
   46    HB2  GLU   8           2HB      GLU   8  -6.788   7.345  -3.959
   47    HB3  GLU   8           1HB      GLU   8  -6.017   5.925  -3.265
   48    HG2  GLU   8           2HG      GLU   8  -4.457   7.145  -2.148
   49    HG3  GLU   8           1HG      GLU   8  -4.478   8.465  -3.318
   50    H    LYS   9           H        LYS   9  -6.615   6.643  -7.152
   51    HA   LYS   9           HA       LYS   9  -7.732   4.070  -7.035
   52    HB2  LYS   9           2HB      LYS   9  -7.822   4.367  -9.633
   53    HB3  LYS   9           1HB      LYS   9  -8.748   5.467  -8.626
   54    HG2  LYS   9           2HG      LYS   9  -7.520   7.255  -9.209
   55    HG3  LYS   9           1HG      LYS   9  -6.015   6.342  -9.239
   56    HD2  LYS   9           2HD      LYS   9  -6.566   5.428 -11.406
   57    HD3  LYS   9           1HD      LYS   9  -8.143   6.224 -11.369
   58    HE2  LYS   9           2HE      LYS   9  -5.603   7.795 -11.119
   59    HE3  LYS   9           1HE      LYS   9  -6.231   7.334 -12.699
   60    HZ1  LYS   9           1HZ      LYS   9  -6.897   9.589 -11.559
   61    HZ2  LYS   9           2HZ      LYS   9  -8.065   8.619 -10.816
   62    HZ3  LYS   9           3HZ      LYS   9  -8.005   8.725 -12.504
   63    H    GLN  10           H        GLN  10  -4.600   5.256  -7.875
   64    HA   GLN  10           HA       GLN  10  -3.542   2.997  -9.249
   65    HB2  GLN  10           2HB      GLN  10  -2.509   5.218  -9.438
   66    HB3  GLN  10           1HB      GLN  10  -2.295   5.290  -7.690
   67    HG2  GLN  10           2HG      GLN  10  -0.981   2.964  -8.467
   68    HG3  GLN  10           1HG      GLN  10  -0.591   4.138  -9.718
   69   HE21  GLN  10          1HE2      GLN  10  -0.645   3.724  -6.190
   70   HE22  GLN  10          2HE2      GLN  10   0.736   4.717  -5.885
   71    H    SER  11           H        SER  11  -4.703   1.551  -7.505
   72    HA   SER  11           HA       SER  11  -4.483   1.076  -4.985
   73    HB2  SER  11           2HB      SER  11  -3.521  -1.358  -5.578
   74    HB3  SER  11           1HB      SER  11  -5.160  -0.861  -5.994
   75    HG   SER  11           HG       SER  11  -2.976  -0.482  -7.753
   76    H    LYS  12           H        LYS  12  -3.027   1.799  -3.524
   77    HA   LYS  12           HA       LYS  12  -0.408   2.383  -3.743
   78    HB2  LYS  12           2HB      LYS  12  -1.757   1.120  -1.356
   79    HB3  LYS  12           1HB      LYS  12  -0.155   1.853  -1.305
   80    HG2  LYS  12           2HG      LYS  12  -1.118   3.980  -2.054
   81    HG3  LYS  12           1HG      LYS  12  -2.720   3.246  -2.037
   82    HD2  LYS  12           2HD      LYS  12  -2.127   2.686   0.439
   83    HD3  LYS  12           1HD      LYS  12  -0.942   3.979   0.241
   84    HE2  LYS  12           2HE      LYS  12  -3.827   4.350  -0.497
   85    HE3  LYS  12           1HE      LYS  12  -3.251   4.618   1.147
   86    HZ1  LYS  12           1HZ      LYS  12  -3.249   6.685  -0.027
   87    HZ2  LYS  12           2HZ      LYS  12  -2.349   6.032  -1.301
   88    HZ3  LYS  12           3HZ      LYS  12  -1.639   6.224   0.221
   89    H    GLY  13           H        GLY  13   0.746   1.176  -5.065
   90    HA2  GLY  13           2HA      GLY  13   2.449  -0.453  -5.300
   91    HA3  GLY  13           1HA      GLY  13   1.642  -1.428  -4.062
   92    H    TYR  14           H        TYR  14   1.506  -0.340  -7.397
   93    HA   TYR  14           HA       TYR  14  -0.844  -1.312  -8.329
   94    HB2  TYR  14           2HB      TYR  14   0.729  -0.152  -9.756
   95    HB3  TYR  14           1HB      TYR  14   1.856  -1.498  -9.667
   96    HD1  TYR  14           1HD      TYR  14  -1.349  -0.323 -11.104
   97    HD2  TYR  14           2HD      TYR  14   1.566  -3.479 -11.027
   98    HE1  TYR  14           1HE      TYR  14  -2.371  -1.310 -13.143
   99    HE2  TYR  14           2HE      TYR  14   0.554  -4.474 -13.064
  100    HH   TYR  14           HH       TYR  14  -2.492  -3.424 -14.320
  101    H    TRP  15           H        TRP  15  -1.851  -3.186  -8.383
  102    HA   TRP  15           HA       TRP  15  -0.505  -5.569  -7.522
  103    HB2  TRP  15           2HB      TRP  15  -2.631  -6.577  -7.372
  104    HB3  TRP  15           1HB      TRP  15  -2.896  -4.902  -6.919
  105    HD1  TRP  15           HD       TRP  15  -3.389  -7.224  -9.982
  106    HE1  TRP  15           1HE      TRP  15  -5.439  -6.397 -11.300
  107    HE3  TRP  15           3HE      TRP  15  -4.444  -2.999  -7.256
  108    HZ2  TRP  15           2HZ      TRP  15  -7.285  -4.232 -11.214
  109    HZ3  TRP  15           3HZ      TRP  15  -6.377  -1.591  -7.935
  110    HH2  TRP  15           HH       TRP  15  -7.769  -2.201  -9.877
  111    H    GLN  16           H        GLN  16   0.443  -7.042  -8.749
  112    HA   GLN  16           HA       GLN  16   0.179  -6.831 -11.642
  113    HB2  GLN  16           2HB      GLN  16   2.422  -7.046 -10.429
  114    HB3  GLN  16           1HB      GLN  16   1.987  -8.724 -10.148
  115    HG2  GLN  16           2HG      GLN  16   1.952  -9.191 -12.481
  116    HG3  GLN  16           1HG      GLN  16   2.111  -7.482 -12.881
  117   HE21  GLN  16          1HE2      GLN  16   3.812  -9.404 -13.906
  118   HE22  GLN  16          2HE2      GLN  16   5.395  -9.164 -13.258
  119    H    GLU  17           H        GLU  17  -1.122  -8.097 -12.766
  120    HA   GLU  17           HA       GLU  17  -2.907  -9.881 -11.693
  121    HB2  GLU  17           2HB      GLU  17  -1.818  -9.622 -14.486
  122    HB3  GLU  17           1HB      GLU  17  -3.075 -10.785 -14.089
  123    HG2  GLU  17           2HG      GLU  17  -4.527  -8.982 -13.340
  124    HG3  GLU  17           1HG      GLU  17  -3.261  -7.806 -13.692
  125    H    ASP  18           H        ASP  18  -3.175 -12.192 -12.054
  126    HA   ASP  18           HA       ASP  18  -1.127 -13.684 -10.903
  127    HB2  ASP  18           2HB      ASP  18  -3.387 -14.728 -12.619
  128    HB3  ASP  18           1HB      ASP  18  -2.462 -15.649 -11.439
  129    H    GLU  19           H        GLU  19  -2.246 -13.780 -14.274
  130    HA   GLU  19           HA       GLU  19  -0.242 -15.499 -15.210
  131    HB2  GLU  19           2HB      GLU  19  -1.886 -13.432 -16.673
  132    HB3  GLU  19           1HB      GLU  19  -0.878 -14.636 -17.464
  133    HG2  GLU  19           2HG      GLU  19  -2.271 -16.376 -16.899
  134    HG3  GLU  19           1HG      GLU  19  -2.950 -15.520 -15.515
  135    H    ASP  20           H        ASP  20  -0.409 -11.970 -15.126
  136    HA   ASP  20           HA       ASP  20   1.943 -11.448 -16.560
  137    HB2  ASP  20           2HB      ASP  20   0.580  -9.841 -14.391
  138    HB3  ASP  20           1HB      ASP  20   1.902  -9.236 -15.386
  139    H    ALA  21           H        ALA  21   1.441 -12.437 -13.257
  140    HA   ALA  21           HA       ALA  21   4.351 -12.252 -12.812
  141    HB1  ALA  21           1HB      ALA  21   4.072 -11.565 -10.639
  142    HB2  ALA  21           2HB      ALA  21   2.454 -12.254 -10.517
  143    HB3  ALA  21           3HB      ALA  21   2.710 -10.762 -11.421
  144    HA   PRO  22           HA       PRO  22   3.095 -16.710 -12.460
  145    HB2  PRO  22           2HB      PRO  22   5.006 -17.747 -14.033
  146    HB3  PRO  22           1HB      PRO  22   3.530 -17.046 -14.704
  147    HG2  PRO  22           2HG      PRO  22   6.254 -15.826 -14.451
  148    HG3  PRO  22           1HG      PRO  22   5.144 -15.800 -15.834
  149    HD2  PRO  22           2HD      PRO  22   5.393 -13.728 -14.083
  150    HD3  PRO  22           1HD      PRO  22   3.888 -14.089 -14.951
  151    H    ALA  23           H        ALA  23   6.022 -14.921 -11.946
  152    HA   ALA  23           HA       ALA  23   6.854 -16.909  -9.951
  153    HB1  ALA  23           1HB      ALA  23   9.237 -16.290 -10.524
  154    HB2  ALA  23           2HB      ALA  23   8.594 -15.527 -11.978
  155    HB3  ALA  23           3HB      ALA  23   8.379 -17.259 -11.721
  156    H    CYS  24           H        CYS  24   7.863 -16.078  -8.099
  157    HA   CYS  24           HA       CYS  24   6.885 -13.686  -7.097
  158    HB2  CYS  24           2HB      CYS  24   7.888 -15.683  -5.853
  159    HB3  CYS  24           1HB      CYS  24   9.453 -14.926  -6.134
  160    HG   CYS  24           HG       CYS  24   8.454 -12.838  -4.752
  161    H    ASN  25           H        ASN  25   7.392 -11.631  -7.387
  162    HA   ASN  25           HA       ASN  25   9.422 -10.786  -9.148
  163    HB2  ASN  25           2HB      ASN  25   7.473  -9.454  -7.340
  164    HB3  ASN  25           1HB      ASN  25   8.844  -8.497  -7.891
  165   HD21  ASN  25          1HD2      ASN  25   6.621 -10.876  -9.311
  166   HD22  ASN  25          2HD2      ASN  25   6.246  -9.937 -10.713
  167    H    GLY  26           H        GLY  26   9.480 -11.439  -5.746
  168    HA2  GLY  26           2HA      GLY  26  11.804  -9.789  -5.247
  169    HA3  GLY  26           1HA      GLY  26  11.012 -10.850  -4.097
  170    H    CYS  27           H        CYS  27  11.309 -13.270  -4.643
  171    HA   CYS  27           HA       CYS  27  14.168 -13.682  -4.907
  172    HB2  CYS  27           2HB      CYS  27  13.667 -15.984  -4.145
  173    HB3  CYS  27           1HB      CYS  27  13.047 -14.754  -3.049
  174    HG   CYS  27           HG       CYS  27  11.026 -16.172  -3.232
  175    H    GLY  28           H        GLY  28  11.270 -14.304  -6.747
  176    HA2  GLY  28           2HA      GLY  28  11.296 -14.721  -9.078
  177    HA3  GLY  28           1HA      GLY  28  12.951 -15.283  -8.931
  178    H    CYS  29           H        CYS  29  10.616 -16.482  -6.664
  179    HA   CYS  29           HA       CYS  29  10.992 -19.149  -7.716
  180    HB2  CYS  29           2HB      CYS  29   9.907 -19.932  -5.722
  181    HB3  CYS  29           1HB      CYS  29  11.031 -18.661  -5.263
  182    HG   CYS  29           HG       CYS  29   8.108 -18.663  -4.677
  183    H    VAL  30           H        VAL  30   9.408 -20.497  -8.536
  184    HA   VAL  30           HA       VAL  30   7.274 -19.163  -9.919
  185    HB   VAL  30           HB       VAL  30   7.389 -22.141  -9.795
  186   HG11  VAL  30          1HG1      VAL  30   6.944 -21.733 -12.288
  187   HG12  VAL  30          2HG1      VAL  30   6.656 -20.057 -11.816
  188   HG13  VAL  30          3HG1      VAL  30   5.663 -21.348 -11.138
  189   HG21  VAL  30          1HG2      VAL  30   9.694 -21.793 -10.093
  190   HG22  VAL  30          2HG2      VAL  30   9.436 -20.391 -11.132
  191   HG23  VAL  30          3HG2      VAL  30   9.066 -22.010 -11.726
  192    H    PHE  31           H        PHE  31   5.093 -19.367  -9.629
  193    HA   PHE  31           HA       PHE  31   4.260 -20.141  -6.953
  194    HB2  PHE  31           2HB      PHE  31   2.829 -18.693  -9.184
  195    HB3  PHE  31           1HB      PHE  31   2.077 -19.100  -7.643
  196    HD1  PHE  31           1HD      PHE  31   3.094 -18.168  -5.506
  197    HD2  PHE  31           2HD      PHE  31   4.148 -16.751  -9.425
  198    HE1  PHE  31           1HE      PHE  31   4.002 -16.085  -4.506
  199    HE2  PHE  31           2HE      PHE  31   5.057 -14.665  -8.428
  200    HZ   PHE  31           HZ       PHE  31   4.988 -14.332  -5.966
  201    H    THR  32           H        THR  32   3.135 -21.911  -6.466
  202    HA   THR  32           HA       THR  32   2.047 -23.516  -8.687
  203    HB   THR  32           HB       THR  32   2.672 -25.522  -7.550
  204    HG1  THR  32           1HG      THR  32   3.337 -23.814  -5.396
  205   HG21  THR  32          1HG2      THR  32   5.163 -24.168  -6.872
  206   HG22  THR  32          2HG2      THR  32   4.573 -23.819  -8.498
  207   HG23  THR  32          3HG2      THR  32   4.852 -25.488  -8.000
  208    H    THR  33           H        THR  33   0.441 -25.229  -7.724
  209    HA   THR  33           HA       THR  33  -1.828 -23.894  -6.850
  210    HB   THR  33           HB       THR  33  -1.221 -26.823  -6.420
  211    HG1  THR  33           1HG      THR  33  -1.685 -27.141  -8.477
  212   HG21  THR  33          1HG2      THR  33  -3.910 -25.927  -7.202
  213   HG22  THR  33          2HG2      THR  33  -3.413 -25.547  -5.552
  214   HG23  THR  33          3HG2      THR  33  -3.408 -27.221  -6.112
  215    H    THR  34           H        THR  34   0.753 -25.343  -4.996
  216    HA   THR  34           HA       THR  34  -0.634 -25.294  -2.496
  217    HB   THR  34           HB       THR  34   2.325 -25.244  -2.489
  218    HG1  THR  34           1HG      THR  34   2.381 -26.554  -4.142
  219   HG21  THR  34          1HG2      THR  34   1.882 -27.408  -1.206
  220   HG22  THR  34          2HG2      THR  34   0.191 -26.904  -1.211
  221   HG23  THR  34          3HG2      THR  34   1.414 -25.885  -0.451
  222    H    VAL  35           H        VAL  35   1.787 -23.196  -4.037
  223    HA   VAL  35           HA       VAL  35   1.754 -21.336  -1.832
  224    HB   VAL  35           HB       VAL  35   2.992 -20.991  -4.565
  225   HG11  VAL  35          1HG1      VAL  35   4.328 -19.248  -3.563
  226   HG12  VAL  35          2HG1      VAL  35   3.589 -19.544  -1.988
  227   HG13  VAL  35          3HG1      VAL  35   2.618 -18.894  -3.310
  228   HG21  VAL  35          1HG2      VAL  35   5.038 -21.407  -2.753
  229   HG22  VAL  35          2HG2      VAL  35   4.430 -22.576  -3.926
  230   HG23  VAL  35          3HG2      VAL  35   3.811 -22.582  -2.274
  231    H    ARG  36           H        ARG  36   0.007 -20.144  -1.556
  232    HA   ARG  36           HA       ARG  36  -1.728 -19.347  -3.696
  233    HB2  ARG  36           2HB      ARG  36  -1.673 -18.425  -0.811
  234    HB3  ARG  36           1HB      ARG  36  -2.988 -18.164  -1.950
  235    HG2  ARG  36           2HG      ARG  36  -2.814 -20.827  -2.103
  236    HG3  ARG  36           1HG      ARG  36  -2.219 -20.596  -0.461
  237    HD2  ARG  36           2HD      ARG  36  -4.593 -19.010  -1.018
  238    HD3  ARG  36           1HD      ARG  36  -4.866 -20.738  -1.240
  239    HE   ARG  36           HE       ARG  36  -3.503 -20.135   1.202
  240   HH11  ARG  36          1HH1      ARG  36  -6.667 -20.285  -0.282
  241   HH12  ARG  36          2HH1      ARG  36  -7.481 -20.604   1.213
  242   HH21  ARG  36          1HH2      ARG  36  -4.581 -20.555   3.154
  243   HH22  ARG  36          2HH2      ARG  36  -6.302 -20.752   3.158
  244    H    ARG  37           H        ARG  37  -2.284 -16.989  -4.065
  245    HA   ARG  37           HA       ARG  37   0.212 -15.554  -4.414
  246    HB2  ARG  37           2HB      ARG  37  -1.761 -15.839  -6.133
  247    HB3  ARG  37           1HB      ARG  37  -2.398 -14.419  -5.311
  248    HG2  ARG  37           2HG      ARG  37  -0.472 -13.140  -5.858
  249    HG3  ARG  37           1HG      ARG  37   0.372 -14.565  -6.458
  250    HD2  ARG  37           2HD      ARG  37  -2.143 -13.446  -7.684
  251    HD3  ARG  37           1HD      ARG  37  -0.519 -13.058  -8.230
  252    HE   ARG  37           HE       ARG  37  -0.294 -15.200  -9.100
  253   HH11  ARG  37          1HH1      ARG  37  -3.397 -14.855  -7.503
  254   HH12  ARG  37          2HH1      ARG  37  -4.043 -16.293  -8.208
  255   HH21  ARG  37          1HH2      ARG  37  -1.161 -17.086 -10.004
  256   HH22  ARG  37          2HH2      ARG  37  -2.781 -17.558  -9.618
  257    H    HIS  38           H        HIS  38   0.559 -13.381  -3.872
  258    HA   HIS  38           HA       HIS  38  -1.204 -12.003  -2.056
  259    HB2  HIS  38           2HB      HIS  38   1.518 -12.899  -1.078
  260    HB3  HIS  38           1HB      HIS  38   0.398 -11.856  -0.207
  261    HD1  HIS  38           1HD      HIS  38  -2.074 -13.135   0.175
  262    HD2  HIS  38           2HD      HIS  38   1.330 -15.471  -0.300
  263    HE1  HIS  38           1HE      HIS  38  -2.662 -15.384   1.135
  264    HE2  HIS  38           2HE      HIS  38  -0.574 -16.770   0.873
  265    H    HIS  39           H        HIS  39  -0.836  -9.809  -2.073
  266    HA   HIS  39           HA       HIS  39   1.363  -8.902  -3.805
  267    HB2  HIS  39           2HB      HIS  39  -1.199  -7.466  -3.081
  268    HB3  HIS  39           1HB      HIS  39   0.024  -6.897  -4.213
  269    HD1  HIS  39           1HD      HIS  39   0.208 -10.055  -5.277
  270    HD2  HIS  39           2HD      HIS  39  -2.999  -7.418  -5.318
  271    HE1  HIS  39           1HE      HIS  39  -1.326 -10.894  -7.082
  272    HE2  HIS  39           2HE      HIS  39  -3.208  -9.220  -7.160
  273    H    CYS  40           H        CYS  40   2.474  -6.943  -3.297
  274    HA   CYS  40           HA       CYS  40   2.821  -6.606  -0.404
  275    HB2  CYS  40           2HB      CYS  40   4.829  -7.037  -1.665
  276    HB3  CYS  40           1HB      CYS  40   4.453  -5.748  -2.787
  277    HG   CYS  40           HG       CYS  40   5.205  -4.031  -1.090
  278    H    ARG  41           H        ARG  41   2.113  -4.833   0.647
  279    HA   ARG  41           HA       ARG  41   0.297  -3.067  -0.554
  280    HB2  ARG  41           2HB      ARG  41   1.765  -2.649   2.049
  281    HB3  ARG  41           1HB      ARG  41   0.247  -1.904   1.567
  282    HG2  ARG  41           2HG      ARG  41   0.556  -4.881   1.822
  283    HG3  ARG  41           1HG      ARG  41   0.113  -3.851   3.183
  284    HD2  ARG  41           2HD      ARG  41  -1.386  -3.958   0.571
  285    HD3  ARG  41           1HD      ARG  41  -1.823  -4.884   2.007
  286    HE   ARG  41           HE       ARG  41  -1.599  -2.029   2.404
  287   HH11  ARG  41          1HH1      ARG  41  -3.744  -4.672   1.592
  288   HH12  ARG  41          2HH1      ARG  41  -5.164  -3.837   2.122
  289   HH21  ARG  41          1HH2      ARG  41  -3.467  -0.943   3.095
  290   HH22  ARG  41          2HH2      ARG  41  -5.008  -1.724   2.974
  291    H    ASN  42           H        ASN  42   3.701  -2.900  -0.467
  292    HA   ASN  42           HA       ASN  42   3.785  -0.026  -0.871
  293    HB2  ASN  42           2HB      ASN  42   5.871  -2.154  -0.522
  294    HB3  ASN  42           1HB      ASN  42   6.299  -0.520  -0.992
  295   HD21  ASN  42          1HD2      ASN  42   5.940  -2.576   1.500
  296   HD22  ASN  42          2HD2      ASN  42   5.728  -1.459   2.794
  297    H    CYS  43           H        CYS  43   5.412  -2.725  -2.560
  298    HA   CYS  43           HA       CYS  43   5.485  -1.201  -4.996
  299    HB2  CYS  43           2HB      CYS  43   6.667  -3.136  -5.941
  300    HB3  CYS  43           1HB      CYS  43   7.374  -2.624  -4.415
  301    HG   CYS  43           HG       CYS  43   6.109  -4.721  -3.332
  302    H    GLY  44           H        GLY  44   3.722  -4.059  -3.843
  303    HA2  GLY  44           2HA      GLY  44   1.495  -4.533  -4.544
  304    HA3  GLY  44           1HA      GLY  44   1.792  -3.596  -5.989
  305    H    TYR  45           H        TYR  45   4.460  -5.236  -6.040
  306    HA   TYR  45           HA       TYR  45   3.694  -6.981  -8.074
  307    HB2  TYR  45           2HB      TYR  45   6.138  -7.180  -6.301
  308    HB3  TYR  45           1HB      TYR  45   5.940  -7.928  -7.882
  309    HD1  TYR  45           2HD      TYR  45   4.693  -5.719  -9.427
  310    HD2  TYR  45           1HD      TYR  45   7.921  -5.648  -6.590
  311    HE1  TYR  45           2HE      TYR  45   5.595  -3.679 -10.515
  312    HE2  TYR  45           1HE      TYR  45   8.831  -3.603  -7.670
  313    HH   TYR  45           HH       TYR  45   7.044  -1.798 -10.010
  314    H    VAL  46           H        VAL  46   3.930  -9.388  -8.013
  315    HA   VAL  46           HA       VAL  46   2.363 -10.366  -5.800
  316    HB   VAL  46           HB       VAL  46   3.405 -11.853  -8.219
  317   HG11  VAL  46          1HG1      VAL  46   2.987 -13.372  -6.383
  318   HG12  VAL  46          2HG1      VAL  46   1.712 -13.546  -7.591
  319   HG13  VAL  46          3HG1      VAL  46   1.408 -12.644  -6.108
  320   HG21  VAL  46          1HG2      VAL  46   0.613 -10.845  -7.665
  321   HG22  VAL  46          2HG2      VAL  46   1.208 -11.578  -9.152
  322   HG23  VAL  46          3HG2      VAL  46   1.785  -9.988  -8.662
  323    H    LEU  47           H        LEU  47   3.028 -11.547  -4.139
  324    HA   LEU  47           HA       LEU  47   5.772 -12.598  -4.148
  325    HB2  LEU  47           2HB      LEU  47   4.442 -10.959  -1.996
  326    HB3  LEU  47           1HB      LEU  47   5.892 -11.902  -1.723
  327    HG   LEU  47           HG       LEU  47   6.480  -9.603  -2.034
  328   HD11  LEU  47          1HD1      LEU  47   8.066 -11.173  -2.920
  329   HD12  LEU  47          2HD1      LEU  47   8.001  -9.755  -3.959
  330   HD13  LEU  47          3HD1      LEU  47   7.193 -11.242  -4.447
  331   HD21  LEU  47          1HD2      LEU  47   4.351  -9.397  -3.662
  332   HD22  LEU  47          2HD2      LEU  47   5.675  -9.394  -4.828
  333   HD23  LEU  47          3HD2      LEU  47   5.641  -8.202  -3.528
  334    H    CYS  48           H        CYS  48   6.073 -14.495  -3.058
  335    HA   CYS  48           HA       CYS  48   3.692 -16.014  -2.441
  336    HB2  CYS  48           2HB      CYS  48   5.188 -17.923  -2.221
  337    HB3  CYS  48           1HB      CYS  48   5.576 -17.032  -3.688
  338    HG   CYS  48           HG       CYS  48   7.500 -15.969  -1.862
  339    H    GLY  49           H        GLY  49   4.340 -17.653  -0.401
  340    HA2  GLY  49           2HA      GLY  49   3.771 -16.131   1.875
  341    HA3  GLY  49           1HA      GLY  49   4.329 -17.795   1.890
  342    H    ASP  50           H        ASP  50   6.832 -17.820   1.148
  343    HA   ASP  50           HA       ASP  50   8.303 -16.909   3.300
  344    HB2  ASP  50           2HB      ASP  50   9.187 -17.588   0.495
  345    HB3  ASP  50           1HB      ASP  50  10.315 -17.264   1.807
  346    H    CYS  51           H        CYS  51   8.121 -15.448   0.068
  347    HA   CYS  51           HA       CYS  51   9.764 -13.237   0.693
  348    HB2  CYS  51           2HB      CYS  51   8.007 -14.030  -1.551
  349    HB3  CYS  51           1HB      CYS  51   8.352 -12.310  -1.402
  350    HG   CYS  51           HG       CYS  51  10.968 -13.120  -1.451
  351    H    SER  52           H        SER  52   6.401 -13.857   1.253
  352    HA   SER  52           HA       SER  52   6.060 -11.051   2.085
  353    HB2  SER  52           2HB      SER  52   3.739 -11.192   1.589
  354    HB3  SER  52           1HB      SER  52   4.574 -11.904   0.207
  355    HG   SER  52           HG       SER  52   2.983 -13.321   0.711
  356    H    ARG  53           H        ARG  53   7.355 -12.712   3.776
  357    HA   ARG  53           HA       ARG  53   5.417 -13.646   5.763
  358    HB2  ARG  53           2HB      ARG  53   8.178 -14.311   5.043
  359    HB3  ARG  53           1HB      ARG  53   7.945 -14.152   6.776
  360    HG2  ARG  53           2HG      ARG  53   5.989 -15.753   6.505
  361    HG3  ARG  53           1HG      ARG  53   6.617 -16.067   4.885
  362    HD2  ARG  53           2HD      ARG  53   8.867 -16.289   6.421
  363    HD3  ARG  53           1HD      ARG  53   7.631 -16.926   7.499
  364    HE   ARG  53           HE       ARG  53   8.541 -18.075   4.988
  365   HH11  ARG  53          1HH1      ARG  53   6.156 -18.174   7.551
  366   HH12  ARG  53          2HH1      ARG  53   5.741 -19.826   7.257
  367   HH21  ARG  53          1HH2      ARG  53   7.982 -20.243   4.613
  368   HH22  ARG  53          2HH2      ARG  53   6.770 -20.998   5.593
  369    H    HIS  54           H        HIS  54   7.699 -11.103   5.149
  370    HA   HIS  54           HA       HIS  54   8.038 -10.242   7.840
  371    HB2  HIS  54           2HB      HIS  54   8.552  -8.899   5.190
  372    HB3  HIS  54           1HB      HIS  54   8.962  -8.169   6.735
  373    HD1  HIS  54           1HD      HIS  54  10.762  -9.559   8.196
  374    HD2  HIS  54           2HD      HIS  54  10.423 -10.614   4.191
  375    HE1  HIS  54           1HE      HIS  54  12.843 -10.868   7.666
  376    HE2  HIS  54           2HE      HIS  54  12.665 -11.401   5.210
  377    H    ARG  55           H        ARG  55   7.530  -7.946   8.448
  378    HA   ARG  55           HA       ARG  55   4.995  -6.921   7.437
  379    HB2  ARG  55           2HB      ARG  55   5.420  -7.536  10.372
  380    HB3  ARG  55           1HB      ARG  55   4.021  -6.736   9.676
  381    HG2  ARG  55           2HG      ARG  55   3.749  -8.918   8.313
  382    HG3  ARG  55           1HG      ARG  55   4.802  -9.612   9.553
  383    HD2  ARG  55           2HD      ARG  55   3.237  -8.732  11.278
  384    HD3  ARG  55           1HD      ARG  55   2.171  -8.206   9.988
  385    HE   ARG  55           HE       ARG  55   1.733 -10.476   9.455
  386   HH11  ARG  55          1HH1      ARG  55   3.674 -10.163  12.376
  387   HH12  ARG  55          2HH1      ARG  55   3.224 -11.724  12.961
  388   HH21  ARG  55          1HH2      ARG  55   1.170 -12.508  10.258
  389   HH22  ARG  55          2HH2      ARG  55   1.813 -13.045  11.774
  390    H    ALA  56           H        ALA  56   4.863  -4.705   7.601
  391    HA   ALA  56           HA       ALA  56   6.481  -3.208   9.431
  392    HB1  ALA  56           1HB      ALA  56   7.244  -3.266   6.520
  393    HB2  ALA  56           2HB      ALA  56   8.253  -3.651   7.914
  394    HB3  ALA  56           3HB      ALA  56   7.740  -1.988   7.629
  395    H    ALA  57           H        ALA  57   5.673  -1.194   9.753
  396    HA   ALA  57           HA       ALA  57   3.163  -0.538   8.566
  397    HB1  ALA  57           1HB      ALA  57   3.016   0.526  10.515
  398    HB2  ALA  57           2HB      ALA  57   4.112   1.750   9.874
  399    HB3  ALA  57           3HB      ALA  57   4.752   0.383  10.788
  400    H    ILE  58           H        ILE  58   2.657   1.227   7.213
  401    HA   ILE  58           HA       ILE  58   4.962   2.386   5.788
  402    HB   ILE  58           HB       ILE  58   2.410   1.868   4.316
  403   HG12  ILE  58          2HG1      ILE  58   4.652  -0.155   4.569
  404   HG13  ILE  58          1HG1      ILE  58   3.090  -0.303   5.364
  405   HG21  ILE  58          1HG2      ILE  58   4.084   3.293   3.326
  406   HG22  ILE  58          2HG2      ILE  58   3.945   1.794   2.412
  407   HG23  ILE  58          3HG2      ILE  58   5.297   2.034   3.508
  408   HD11  ILE  58          1HD1      ILE  58   3.734  -1.371   2.949
  409   HD12  ILE  58          2HD1      ILE  58   2.909   0.115   2.481
  410   HD13  ILE  58          3HD1      ILE  58   2.096  -1.054   3.517
  411    HA   PRO  59           HA       PRO  59   2.242   5.786   7.467
  412    HB2  PRO  59           2HB      PRO  59   4.359   7.484   7.894
  413    HB3  PRO  59           1HB      PRO  59   3.735   6.354   9.100
  414    HG2  PRO  59           2HG      PRO  59   6.080   6.061   7.264
  415    HG3  PRO  59           1HG      PRO  59   5.941   5.633   8.979
  416    HD2  PRO  59           2HD      PRO  59   5.775   3.772   7.058
  417    HD3  PRO  59           1HD      PRO  59   4.779   3.677   8.526
  418    H    MET  60           H        MET  60   4.780   5.658   5.054
  419    HA   MET  60           HA       MET  60   4.212   8.192   3.876
  420    HB2  MET  60           2HB      MET  60   5.570   5.798   2.626
  421    HB3  MET  60           1HB      MET  60   5.637   7.454   2.043
  422    HG2  MET  60           2HG      MET  60   6.844   8.138   4.022
  423    HG3  MET  60           1HG      MET  60   6.710   6.514   4.692
  424    HE1  MET  60           1HE      MET  60   8.815   8.935   2.693
  425    HE2  MET  60           2HE      MET  60   7.853   8.318   1.350
  426    HE3  MET  60           3HE      MET  60   9.579   7.964   1.435
  427    H    ARG  61           H        ARG  61   2.977   4.949   3.464
  428    HA   ARG  61           HA       ARG  61   1.387   5.815   1.162
  429    HB2  ARG  61           2HB      ARG  61   1.624   3.014   2.253
  430    HB3  ARG  61           1HB      ARG  61   1.001   3.505   0.684
  431    HG2  ARG  61           2HG      ARG  61   3.851   3.956   1.522
  432    HG3  ARG  61           1HG      ARG  61   3.305   2.501   0.690
  433    HD2  ARG  61           2HD      ARG  61   2.728   5.216  -0.427
  434    HD3  ARG  61           1HD      ARG  61   4.297   4.451  -0.681
  435    HE   ARG  61           HE       ARG  61   2.189   2.681  -1.357
  436   HH11  ARG  61          1HH1      ARG  61   3.924   5.477  -2.546
  437   HH12  ARG  61          2HH1      ARG  61   3.582   5.132  -4.207
  438   HH21  ARG  61          1HH2      ARG  61   1.749   2.235  -3.540
  439   HH22  ARG  61          2HH2      ARG  61   2.347   3.295  -4.771
  440    H    GLY  62           H        GLY  62   0.868   6.469   4.096
  441    HA2  GLY  62           2HA      GLY  62  -1.077   6.908   5.258
  442    HA3  GLY  62           1HA      GLY  62  -1.973   6.145   3.957
  443    H    ILE  63           H        ILE  63   0.576   4.409   5.555
  444    HA   ILE  63           HA       ILE  63  -1.440   2.812   7.001
  445    HB   ILE  63           HB       ILE  63   1.081   1.778   5.704
  446   HG12  ILE  63          2HG1      ILE  63  -1.726   1.105   4.872
  447   HG13  ILE  63          1HG1      ILE  63  -0.902   2.515   4.215
  448   HG21  ILE  63          1HG2      ILE  63  -1.157   0.148   6.861
  449   HG22  ILE  63          2HG2      ILE  63   0.267   0.615   7.791
  450   HG23  ILE  63          3HG2      ILE  63   0.446  -0.390   6.352
  451   HD11  ILE  63          1HD1      ILE  63  -0.527  -0.333   3.650
  452   HD12  ILE  63          2HD1      ILE  63   0.957   0.602   3.814
  453   HD13  ILE  63          3HD1      ILE  63  -0.255   1.080   2.629
  454    H    THR  64           H        THR  64  -1.077   3.967   8.932
  455    HA   THR  64           HA       THR  64   1.552   4.268  10.027
  456    HB   THR  64           HB       THR  64   0.426   5.184  11.977
  457    HG1  THR  64           1HG      THR  64  -1.914   4.163  10.754
  458   HG21  THR  64          1HG2      THR  64   0.566   6.613   9.954
  459   HG22  THR  64          2HG2      THR  64  -0.781   7.004  11.024
  460   HG23  THR  64          3HG2      THR  64  -1.070   6.100   9.537
  461    H    GLU  65           H        GLU  65  -0.664   1.666   9.984
  462    HA   GLU  65           HA       GLU  65   0.483   0.509  12.421
  463    HB2  GLU  65           2HB      GLU  65  -1.795  -0.566  10.758
  464    HB3  GLU  65           1HB      GLU  65  -1.327  -1.076  12.375
  465    HG2  GLU  65           2HG      GLU  65  -2.529   1.561  11.574
  466    HG3  GLU  65           1HG      GLU  65  -3.282   0.285  12.528
  467    HA   PRO  66           HA       PRO  66   3.226  -2.199  10.246
  468    HB2  PRO  66           2HB      PRO  66   2.195  -4.294  12.124
  469    HB3  PRO  66           1HB      PRO  66   3.868  -3.854  11.749
  470    HG2  PRO  66           2HG      PRO  66   2.859  -3.032  14.020
  471    HG3  PRO  66           1HG      PRO  66   3.737  -1.862  13.011
  472    HD2  PRO  66           2HD      PRO  66   0.766  -2.262  13.268
  473    HD3  PRO  66           1HD      PRO  66   1.698  -0.748  13.342
  474    H    GLU  67           H        GLU  67   2.770  -2.946   8.270
  475    HA   GLU  67           HA       GLU  67   0.557  -4.869   7.986
  476    HB2  GLU  67           2HB      GLU  67   1.315  -2.638   6.103
  477    HB3  GLU  67           1HB      GLU  67   0.190  -3.920   5.697
  478    HG2  GLU  67           2HG      GLU  67  -0.131  -1.848   7.848
  479    HG3  GLU  67           1HG      GLU  67  -1.045  -1.980   6.347
  480    H    ARG  68           H        ARG  68   0.735  -6.220   6.026
  481    HA   ARG  68           HA       ARG  68   3.319  -7.427   5.952
  482    HB2  ARG  68           2HB      ARG  68   2.293  -9.066   4.459
  483    HB3  ARG  68           1HB      ARG  68   1.302  -8.776   5.883
  484    HG2  ARG  68           2HG      ARG  68  -0.089  -7.227   4.511
  485    HG3  ARG  68           1HG      ARG  68   0.840  -7.734   3.098
  486    HD2  ARG  68           2HD      ARG  68   0.159 -10.067   3.531
  487    HD3  ARG  68           1HD      ARG  68  -0.829  -9.505   4.878
  488    HE   ARG  68           HE       ARG  68  -1.428  -8.237   2.364
  489   HH11  ARG  68          1HH1      ARG  68  -2.127 -10.965   4.438
  490   HH12  ARG  68          2HH1      ARG  68  -3.696 -11.234   3.756
  491   HH21  ARG  68          1HH2      ARG  68  -3.487  -8.596   1.474
  492   HH22  ARG  68          2HH2      ARG  68  -4.467  -9.893   2.076
  493    H    VAL  69           H        VAL  69   4.843  -7.426   4.460
  494    HA   VAL  69           HA       VAL  69   4.425  -6.188   1.843
  495    HB   VAL  69           HB       VAL  69   6.453  -4.818   2.042
  496   HG11  VAL  69          1HG1      VAL  69   4.499  -3.602   2.389
  497   HG12  VAL  69          2HG1      VAL  69   5.536  -3.167   3.751
  498   HG13  VAL  69          3HG1      VAL  69   4.224  -4.319   3.979
  499   HG21  VAL  69          1HG2      VAL  69   7.429  -4.408   4.294
  500   HG22  VAL  69          2HG2      VAL  69   7.693  -6.049   3.700
  501   HG23  VAL  69          3HG2      VAL  69   6.451  -5.738   4.917
  502    H    CYS  70           H        CYS  70   6.915  -6.275   0.844
  503    HA   CYS  70           HA       CYS  70   7.565  -9.117   1.016
  504    HB2  CYS  70           2HB      CYS  70   8.287  -9.016  -1.204
  505    HB3  CYS  70           1HB      CYS  70   6.919  -7.919  -1.175
  506    HG   CYS  70           HG       CYS  70   9.228  -7.061  -2.421
  507    H    ASP  71           H        ASP  71  10.195  -8.798  -0.186
  508    HA   ASP  71           HA       ASP  71  11.622  -8.205   2.259
  509    HB2  ASP  71           2HB      ASP  71  12.536  -9.255  -0.425
  510    HB3  ASP  71           1HB      ASP  71  13.633  -8.957   0.918
  511    H    ALA  72           H        ALA  72  11.706  -7.035  -1.104
  512    HA   ALA  72           HA       ALA  72  13.638  -5.055  -0.766
  513    HB1  ALA  72           1HB      ALA  72  12.016  -3.985  -2.683
  514    HB2  ALA  72           2HB      ALA  72  11.586  -5.694  -2.754
  515    HB3  ALA  72           3HB      ALA  72  13.264  -5.197  -2.972
  516    H    CYS  73           H        CYS  73  10.134  -4.495  -0.978
  517    HA   CYS  73           HA       CYS  73  10.075  -1.874  -0.182
  518    HB2  CYS  73           2HB      CYS  73   7.981  -3.986   0.396
  519    HB3  CYS  73           1HB      CYS  73   7.723  -2.237   0.384
  520    HG   CYS  73           HG       CYS  73   8.791  -3.112  -2.281
  521    H    TYR  74           H        TYR  74  10.114  -4.750   1.902
  522    HA   TYR  74           HA       TYR  74   9.676  -3.417   4.347
  523    HB2  TYR  74           2HB      TYR  74   9.591  -5.855   4.214
  524    HB3  TYR  74           1HB      TYR  74  11.295  -5.917   3.780
  525    HD1  TYR  74           1HD      TYR  74   8.907  -5.160   6.532
  526    HD2  TYR  74           2HD      TYR  74  13.014  -5.827   5.455
  527    HE1  TYR  74           1HE      TYR  74   9.505  -5.327   8.937
  528    HE2  TYR  74           2HE      TYR  74  13.622  -5.997   7.856
  529    HH   TYR  74           HH       TYR  74  11.369  -6.413  10.311
  530    H    LEU  75           H        LEU  75  12.488  -3.871   2.335
  531    HA   LEU  75           HA       LEU  75  14.331  -2.703   4.219
  532    HB2  LEU  75           2HB      LEU  75  14.453  -3.842   1.481
  533    HB3  LEU  75           1HB      LEU  75  15.670  -2.654   1.892
  534    HG   LEU  75           HG       LEU  75  15.159  -5.091   3.591
  535   HD11  LEU  75          1HD1      LEU  75  15.855  -5.454   1.082
  536   HD12  LEU  75          2HD1      LEU  75  16.615  -6.372   2.382
  537   HD13  LEU  75          3HD1      LEU  75  17.442  -4.978   1.687
  538   HD21  LEU  75          1HD2      LEU  75  17.246  -4.618   4.574
  539   HD22  LEU  75          2HD2      LEU  75  16.406  -3.070   4.483
  540   HD23  LEU  75          3HD2      LEU  75  17.667  -3.458   3.315
  541    H    ALA  76           H        ALA  76  12.701  -1.800   1.228
  542    HA   ALA  76           HA       ALA  76  13.760   0.708   0.757
  543    HB1  ALA  76           1HB      ALA  76  11.771  -0.785  -0.368
  544    HB2  ALA  76           2HB      ALA  76  12.183   0.866  -0.829
  545    HB3  ALA  76           3HB      ALA  76  10.869   0.571   0.309
  546    H    LEU  77           H        LEU  77  10.916  -0.098   2.745
  547    HA   LEU  77           HA       LEU  77  10.483   2.556   3.632
  548    HB2  LEU  77           2HB      LEU  77   9.666  -0.120   4.740
  549    HB3  LEU  77           1HB      LEU  77   9.197   1.396   5.488
  550    HG   LEU  77           HG       LEU  77   8.593   0.757   2.611
  551   HD11  LEU  77          1HD1      LEU  77   7.468  -0.944   3.732
  552   HD12  LEU  77          2HD1      LEU  77   6.261   0.322   3.522
  553   HD13  LEU  77          3HD1      LEU  77   7.043   0.102   5.088
  554   HD21  LEU  77          1HD2      LEU  77   7.076   2.569   2.714
  555   HD22  LEU  77          2HD2      LEU  77   8.574   3.141   3.451
  556   HD23  LEU  77          3HD2      LEU  77   7.212   2.677   4.471
  557    H    ARG  78           H        ARG  78  12.394  -0.138   4.780
  558    HA   ARG  78           HA       ARG  78  13.270   0.949   7.241
  559    HB2  ARG  78           2HB      ARG  78  13.749  -1.388   5.753
  560    HB3  ARG  78           1HB      ARG  78  15.319  -0.613   5.875
  561    HG2  ARG  78           2HG      ARG  78  15.120  -0.570   8.305
  562    HG3  ARG  78           1HG      ARG  78  13.529  -1.330   8.186
  563    HD2  ARG  78           2HD      ARG  78  14.393  -3.360   7.530
  564    HD3  ARG  78           1HD      ARG  78  15.864  -2.642   6.880
  565    HE   ARG  78           HE       ARG  78  15.600  -2.429   9.743
  566   HH11  ARG  78          1HH1      ARG  78  16.787  -4.386   7.093
  567   HH12  ARG  78          2HH1      ARG  78  17.923  -5.242   8.078
  568   HH21  ARG  78          1HH2      ARG  78  17.097  -3.568  11.029
  569   HH22  ARG  78          2HH2      ARG  78  18.098  -4.781  10.305
  570    H    SER  79           H        SER  79  14.154   1.417   3.896
  571    HA   SER  79           HA       SER  79  16.620   2.702   4.200
  572    HB2  SER  79           2HB      SER  79  14.677   3.363   1.992
  573    HB3  SER  79           1HB      SER  79  16.433   3.299   1.931
  574    HG   SER  79           HG       SER  79  16.111   1.353   1.203
  575    H    SER  80           H        SER  80  13.464   3.759   5.046
  576    HA   SER  80           HA       SER  80  13.790   6.564   4.705
  577    HB2  SER  80           2HB      SER  80  11.616   5.186   5.211
  578    HB3  SER  80           1HB      SER  80  12.113   5.350   6.895
  579    HG   SER  80           HG       SER  80  10.762   7.059   6.354
  580    H    ASN  81           H        ASN  81  16.074   6.431   5.449
  581    HA   ASN  81           HA       ASN  81  17.214   5.822   7.741
  582    HB2  ASN  81           2HB      ASN  81  17.569   8.068   5.878
  583    HB3  ASN  81           1HB      ASN  81  18.335   8.274   7.450
  584   HD21  ASN  81          1HD2      ASN  81  17.858   5.148   5.895
  585   HD22  ASN  81          2HD2      ASN  81  19.531   4.833   5.618
  586    H    MET  82           H        MET  82  17.509   6.489   9.776
  587    HA   MET  82           HA       MET  82  15.341   7.535  11.185
  588    HB2  MET  82           2HB      MET  82  18.059   7.812  12.392
  589    HB3  MET  82           1HB      MET  82  16.563   7.264  13.120
  590    HG2  MET  82           2HG      MET  82  17.333   5.208  12.970
  591    HG3  MET  82           1HG      MET  82  17.138   5.319  11.231
  592    HE1  MET  82           1HE      MET  82  19.922   7.869  11.676
  593    HE2  MET  82           2HE      MET  82  19.219   7.220  10.196
  594    HE3  MET  82           3HE      MET  82  20.904   6.891  10.592
  595    H    ALA  83           H        ALA  83  14.705   9.526  11.762
  596    HA   ALA  83           HA       ALA  83  16.239  11.787  10.729
  597    HB1  ALA  83           1HB      ALA  83  13.991  11.908  10.063
  598    HB2  ALA  83           2HB      ALA  83  14.140  13.073  11.376
  599    HB3  ALA  83           3HB      ALA  83  13.404  11.500  11.677
  600    H    GLY  84           H        GLY  84  17.023  10.318  13.207
  601    HA2  GLY  84           2HA      GLY  84  17.901  12.445  14.746
  602    HA3  GLY  84           1HA      GLY  84  16.382  11.928  15.455