*HEADER   ELECTRON TRANSPORT                      01-DEC-97   1DFD    
*TITLE    OXIDISED DESULFOVIBRIO AFRICANUS FERREDOXIN I, NMR,         
*TITLE   2 19 STRUCTURES                                              
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: FERREDOXIN I;                                    
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 OTHER_DETAILS: OXIDIZED                                    
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO AFRICANUS;              
*SOURCE  3 STRAIN: BENGHAZI                                           
*KEYWDS   ELECTRON TRANSPORT, OXIDISED DESULFOVIBRIO AFRICANUS        
*KEYWDS  2 FERREDOXIN I, ELECTRON-TRANSFER PROTEIN, 4FE-4S CLUSTER    
*EXPDTA   NMR, 19 STRUCTURES                                          
*AUTHOR   S.L.DAVY,M.J.OSBORNE,G.R.MOORE                              
*REVDAT  1   13-JAN-99 1DFD    0                                      
 


REMARK Distance restraints
assign (resid 2 and name HA)(resid 3 and name HN) 2.70 0.9 0.2
assign (resid 3 and name HN)(resid 3 and name HA) 2.80 1 0.2
assign (resid 3 and name HN)(resid 3 and name HB1) 2.90 1.1 0.2
assign (resid 3 and name HN)(resid 3 and name HB2) 3.30 1.5 0.2
assign (resid 3 and name HN)(resid 3 and name HG#) 6.00 4.2 0.2
assign (resid 3 and name HN)(resid 4 and name HA) 5.00 3.2 0.2
assign (resid 3 and name HN)(resid 63 and name HA) 3.50 1.7 0.2
assign (resid 3 and name HN)(resid 62 and name O) 2.30 0.5 0.2
assign (resid 3 and name N)(resid 62 and name O) 3.00 1.2 0.2
assign (resid 3 and name HA)(resid 4 and name HN) 2.70 0.9 0.2
assign (resid 3 and name HA)(resid 39 and name HG1#) 6.00 4.2 0.2
assign (resid 3 and name HA)(resid 39 and name HG1#) 6.00 4.2 0.2
assign (resid 3 and name HB1)(resid 4 and name HN) 3.40 1.6 0.2
assign (resid 3 and name HB2)(resid 4 and name HN) 5.00 3.2 0.2
assign (resid 3 and name O)(resid 62 and name HN) 2.30 0.5 0.2
assign (resid 3 and name O)(resid 62 and name N) 3.00 1.2 0.2
assign (resid 4 and name HN)(resid 5 and name HN) 5.00 3.2 0.2
assign (resid 4 and name HN)(resid 5 and name HB1) 5.00 3.2 0.2
assign (resid 4 and name HN)(resid 36 and name HG1#) 6.00 4.2 0.2
assign (resid 4 and name HN)(resid 39 and name HG1#) 6.00 4.2 0.2
assign (resid 4 and name HN)(resid 39 and name HG1#) 6.00 4.2 0.2
assign (resid 4 and name HN)(resid 61 and name HA) 4.10 2.3 0.2
assign (resid 4 and name HN)(resid 62 and name HB1) 2.30 0.5 0.2
assign (resid 4 and name HA)(resid 4 and name HB1) 2.70 0.9 0.2
assign (resid 4 and name HA)(resid 4 and name HB2) 2.70 0.9 0.2
assign (resid 4 and name HA)(resid 5 and name HN) 2.70 0.9 0.2
assign (resid 4 and name HA)(resid 5 and name HB1) 5.00 3.2 0.2
assign (resid 4 and name HA)(resid 5 and name CG) 6.70 4.9 0.2
assign (resid 4 and name HA)(resid 51 and name HE#) 6.00 4.2 0.2
assign (resid 4 and name HA)(resid 61 and name HA) 2.80 1 0.2
assign (resid 4 and name HA)(resid 61 and name HB1) 5.00 3.2 0.2
assign (resid 4 and name HA)(resid 61 and name HE3) 5.00 3.2 0.2
assign (resid 4 and name HA)(resid 62 and name HN) 3.30 1.5 0.2
assign (resid 4 and name HB1)(resid 5 and name HN) 3.90 2.1 0.2
assign (resid 4 and name HB1)(resid 51 and name HE#) 6.00 4.2 0.2
assign (resid 4 and name HB1)(resid 61 and name HA) 3.40 1.6 0.2
assign (resid 4 and name HB1)(resid 61 and name HE3) 3.30 1.5 0.2
assign (resid 4 and name HB1)(resid 61 and name HZ3) 5.00 3.2 0.2
assign (resid 4 and name HB2)(resid 5 and name HN) 3.30 1.5 0.2
assign (resid 4 and name HB2)(resid 51 and name HE#) 6.00 4.2 0.2
assign (resid 4 and name HB2)(resid 59 and name HG1#) 6.00 4.2 0.2
assign (resid 4 and name HB2)(resid 61 and name HA) 4.40 2.6 0.2
assign (resid 4 and name HB2)(resid 61 and name HE3) 3.90 2.1 0.2
assign (resid 4 and name CG)(resid 5 and name HN) 7.00 5.2 0.2
assign (resid 4 and name CG)(resid 47 and name HG1#) 8.00 6.2 0.2
assign (resid 4 and name CG)(resid 59 and name HG1#) 8.00 6.2 0.2
assign (resid 4 and name CG)(resid 62 and name HN) 7.00 5.2 0.2
assign (resid 4 and name CZ)(resid 24 and name HB#) 8.00 6.2 0.2
assign (resid 4 and name CZ)(resid 36 and name HG1#) 8.00 6.2 0.2
assign (resid 4 and name CZ)(resid 39 and name HA) 5.80 4 0.2
assign (resid 4 and name CZ)(resid 39 and name HG1#) 8.00 6.2 0.2
assign (resid 4 and name CZ)(resid 47 and name HG1#) 8.00 6.2 0.2
assign (resid 5 and name HN)(resid 6 and name HA) 5.00 3.2 0.2
assign (resid 5 and name HN)(resid 6 and name HG1#) 6.00 4.2 0.2
assign (resid 5 and name HN)(resid 51 and name HE#) 6.00 4.2 0.2
assign (resid 5 and name HN)(resid 59 and name HG1#) 6.00 4.2 0.2
assign (resid 5 and name HN)(resid 60 and name HN) 3.20 1.4 0.2
assign (resid 5 and name HN)(resid 60 and name HB2) 5.00 3.2 0.2
assign (resid 5 and name HN)(resid 61 and name HA) 4.90 3.1 0.2
assign (resid 5 and name HA)(resid 5 and name HB1) 2.90 1.1 0.2
assign (resid 5 and name HA)(resid 5 and name HB2) 2.90 1.1 0.2
assign (resid 5 and name HA)(resid 6 and name HN) 3.10 1.3 0.2
assign (resid 5 and name HA)(resid 36 and name HN) 4.50 2.7 0.2
assign (resid 5 and name HA)(resid 36 and name HB) 4.70 2.9 0.2
assign (resid 5 and name HA)(resid 36 and name HG1#) 5.50 3.7 0.2
assign (resid 5 and name HB1)(resid 6 and name HN) 3.30 1.5 0.2
assign (resid 5 and name HB2)(resid 6 and name HN) 5.00 3.2 0.2
assign (resid 5 and name O)(resid 60 and name HN) 2.30 0.5 0.2
assign (resid 5 and name O)(resid 60 and name N) 3.00 1.2 0.2
assign (resid 5 and name CG)(resid 6 and name HN) 7.00 5.2 0.2
assign (resid 5 and name CG)(resid 36 and name HG1#) 8.00 6.2 0.2
assign (resid 5 and name CG)(resid 62 and name HN) 7.00 5.2 0.2
assign (resid 5 and name CG)(resid 62 and name HA) 7.00 5.2 0.2
assign (resid 5 and name CZ)(resid 6 and name HA) 7.00 5.2 0.2
assign (resid 5 and name CZ)(resid 7 and name HA) 6.70 4.9 0.2
assign (resid 5 and name CZ)(resid 7 and name HB2) 6.20 4.4 0.2
assign (resid 5 and name CZ)(resid 60 and name HB1) 6.70 4.9 0.2
assign (resid 5 and name CZ)(resid 62 and name HA) 6.10 4.3 0.2
assign (resid 6 and name HN)(resid 35 and name HA) 4.50 2.7 0.2
assign (resid 6 and name HN)(resid 36 and name HA) 5.60 3.8 0.2
assign (resid 6 and name HN)(resid 36 and name HB) 3.60 1.8 0.2
assign (resid 6 and name HN)(resid 36 and name HG1#) 6.00 4.2 0.2
assign (resid 6 and name HN)(resid 7 and name HA) 4.80 3 0.2
assign (resid 6 and name HA)(resid 7 and name HN) 3.00 1.2 0.2
assign (resid 6 and name HA)(resid 59 and name HA) 3.50 1.7 0.2
assign (resid 6 and name HB)(resid 8 and name HN) 3.50 1.7 0.2
assign (resid 6 and name HB)(resid 8 and name HE22) 4.60 2.8 0.2
assign (resid 6 and name HB)(resid 35 and name HA) 3.80 2 0.2
assign (resid 6 and name HB)(resid 36 and name HN) 5.00 3.2 0.2
assign (resid 6 and name HG1#)(resid 7 and name HN) 6.00 4.2 0.2
assign (resid 6 and name HG1#)(resid 7 and name HA) 6.00 4.2 0.2
assign (resid 6 and name HG1#)(resid 36 and name HG1#) 7.00 5.2 0.2
assign (resid 6 and name HG1#)(resid 9 and name HN) 6.00 4.2 0.2
assign (resid 7 and name HN)(resid 7 and name HB1) 3.90 2.1 0.2
assign (resid 7 and name HN)(resid 7 and name HB2) 3.80 2 0.2
assign (resid 7 and name HN)(resid 8 and name HA) 4.50 2.7 0.2
assign (resid 7 and name HN)(resid 58 and name HB1) 4.60 2.8 0.2
assign (resid 7 and name HN)(resid 59 and name HA) 4.00 2.2 0.2
assign (resid 7 and name HN)(resid 60 and name HE1) 4.50 2.7 0.2
assign (resid 7 and name HA)(resid 7 and name HB2) 3.00 1.2 0.2
assign (resid 7 and name HA)(resid 8 and name HN) 2.70 0.9 0.2
assign (resid 7 and name HA)(resid 8 and name HA) 4.70 2.9 0.2
assign (resid 7 and name HA)(resid 9 and name HN) 3.50 1.7 0.2
assign (resid 7 and name HA)(resid 25 and name CZ) 7.00 5.2 0.2
assign (resid 7 and name HB1)(resid 10 and name HN) 4.40 2.6 0.2
assign (resid 7 and name HB1)(resid 58 and name HA) 5.00 3.2 0.2
assign (resid 7 and name HB1)(resid 58 and name HB1) 5.00 3.2 0.2
assign (resid 7 and name HB1)(resid 60 and name HE1) 4.10 2.3 0.2
assign (resid 7 and name HB2)(resid 8 and name HN) 4.30 2.5 0.2
assign (resid 7 and name HB2)(resid 58 and name HB1) 5.00 3.2 0.2
assign (resid 7 and name HB2)(resid 60 and name HE1) 3.40 1.6 0.2
assign (resid 8 and name HN)(resid 8 and name HB1) 3.70 1.9 0.2
assign (resid 8 and name HN)(resid 8 and name HG#) 5.40 3.6 0.2
assign (resid 8 and name HN)(resid 9 and name HN) 3.50 1.7 0.2
assign (resid 8 and name HN)(resid 9 and name HB2) 5.00 3.2 0.2
assign (resid 8 and name HA)(resid 10 and name HN) 4.20 2.4 0.2
assign (resid 8 and name HA)(resid 11 and name HN) 3.40 1.6 0.2
assign (resid 8 and name HA)(resid 11 and name HB1) 3.00 1.2 0.2
assign (resid 8 and name HA)(resid 11 and name HB2) 3.00 1.2 0.2
assign (resid 8 and name HA)(resid 33 and name HB1) 3.70 1.9 0.2
assign (resid 8 and name HB1)(resid 9 and name HN) 4.00 2.2 0.2
assign (resid 8 and name HB1)(resid 11 and name HB1) 4.00 2.2 0.2
assign (resid 8 and name HB2)(resid 9 and name HN) 5.00 3.2 0.2
assign (resid 8 and name HE21)(resid 35 and name HB#) 5.20 3.4 0.2
assign (resid 8 and name HE22)(resid 35 and name HB#) 5.20 3.4 0.2
assign (resid 9 and name HN)(resid 9 and name HB1) 3.30 1.5 0.2
assign (resid 9 and name HN)(resid 9 and name HB2) 4.00 2.2 0.2
assign (resid 9 and name HN)(resid 10 and name HN) 2.90 1.1 0.2
assign (resid 9 and name HN)(resid 10 and name HB1) 5.00 3.2 0.2
assign (resid 9 and name HA)(resid 9 and name HB1) 2.90 1.1 0.2
assign (resid 9 and name HB1)(resid 10 and name HN) 5.00 3.2 0.2
assign (resid 9 and name HB1)(resid 10 and name HA) 4.00 2.2 0.2
assign (resid 9 and name HB2)(resid 10 and name HN) 5.00 3.2 0.2
assign (resid 10 and name HN)(resid 10 and name HB2) 3.80 2 0.2
assign (resid 10 and name HN)(resid 10 and name HG1) 5.00 3.2 0.2
assign (resid 10 and name HA)(resid 10 and name HB2) 2.90 1.1 0.2
assign (resid 10 and name HB2)(resid 58 and name HA) 4.00 2.2 0.2
assign (resid 10 and name HB2)(resid 58 and name HB1) 5.00 3.2 0.2
assign (resid 11 and name HN)(resid 33 and name HB#) 6.00 4.2 0.2
assign (resid 11 and name HB1)(resid 33 and name HB#) 4.00 2.2 0.2
assign (resid 11 and name HB2)(resid 33 and name HA) 4.00 2.2 0.2
assign (resid 11 and name HB2)(resid 33 and name HB#) 3.00 1.2 0.2
assign (resid 11 and name SG)(resid 14 and name SG) 6.38 4.58 0.2
assign (resid 11 and name SG)(resid 17 and name SG) 6.38 4.58 0.2
assign (resid 11 and name SG)(resid 54 and name SG) 6.38 4.58 0.2
assign (resid 65 and name FE1)(resid 34 and name HN) 4.00 2.2 0.2
assign (resid 65 and name FE1)(resid 65 and name FE2) 2.66 0.86 0.2
assign (resid 65 and name FE1)(resid 65 and name S2) 2.32 0.52 0.2
assign (resid 65 and name FE1)(resid 65 and name FE3) 2.66 0.86 0.2
assign (resid 65 and name FE1)(resid 65 and name S3) 2.32 0.52 0.2
assign (resid 65 and name FE1)(resid 65 and name FE4) 2.66 0.86 0.2
assign (resid 65 and name S1)(resid 65 and name S2) 3.51 1.71 0.2
assign (resid 65 and name S1)(resid 65 and name FE3) 2.32 0.52 0.2
assign (resid 65 and name S1)(resid 65 and name S3) 3.51 1.71 0.2
assign (resid 65 and name S1)(resid 65 and name FE4) 2.32 0.52 0.2
assign (resid 65 and name S1)(resid 65 and name S4) 3.51 1.71 0.2
assign (resid 12 and name HG1#)(resid 14 and name HB2) 3.00 1.2 0.2
assign (resid 14 and name HA)(resid 14 and name HB1) 3.00 1.2 0.2
assign (resid 14 and name HA)(resid 14 and name HB2) 3.00 1.2 0.2
assign (resid 14 and name SG)(resid 17 and name SG) 6.38 4.58 0.2
assign (resid 14 and name SG)(resid 54 and name SG) 6.38 4.58 0.2
assign (resid 65 and name FE2)(resid 65 and name FE3) 2.66 0.86 0.2
assign (resid 65 and name FE2)(resid 65 and name S3) 2.32 0.52 0.2
assign (resid 65 and name FE2)(resid 65 and name FE4) 2.66 0.86 0.2
assign (resid 65 and name FE2)(resid 65 and name S4) 2.32 0.52 0.2
assign (resid 65 and name S2)(resid 65 and name S3) 3.51 1.71 0.2
assign (resid 65 and name S2)(resid 65 and name FE4) 2.32 0.52 0.2
assign (resid 65 and name S2)(resid 65 and name S4) 3.51 1.71 0.2
assign (resid 15 and name O)(resid 19 and name HN) 2.30 0.5 0.2
assign (resid 15 and name O)(resid 19 and name N) 3.00 1.2 0.2
assign (resid 16 and name O)(resid 20 and name HN) 2.30 0.5 0.2
assign (resid 16 and name O)(resid 20 and name N) 3.00 1.2 0.2
assign (resid 17 and name HB1)(resid 25 and name HB1) 4.00 2.2 0.2
assign (resid 17 and name HB1)(resid 25 and name HB2) 4.00 2.2 0.2
assign (resid 17 and name HB1)(resid 25 and name CG) 4.00 2.2 0.2
assign (resid 17 and name HB1)(resid 25 and name CZ) 4.50 2.7 0.2
assign (resid 17 and name HB1)(resid 50 and name HA) 4.50 2.7 0.2
assign (resid 17 and name HB1)(resid 50 and name HB#) 3.50 1.7 0.2
assign (resid 17 and name O)(resid 21 and name HN) 2.30 0.5 0.2
assign (resid 17 and name O)(resid 21 and name N) 3.00 1.2 0.2
assign (resid 17 and name SG)(resid 54 and name SG) 6.38 4.58 0.2
assign (resid 65 and name FE3)(resid 65 and name FE4) 2.66 0.86 0.2
assign (resid 65 and name FE3)(resid 65 and name S4) 2.32 0.52 0.2
assign (resid 65 and name S3)(resid 65 and name S4) 3.51 1.71 0.2
assign (resid 18 and name HN)(resid 18 and name HA) 2.90 1.1 0.2
assign (resid 18 and name HN)(resid 18 and name HB) 3.00 1.2 0.2
assign (resid 18 and name HA)(resid 20 and name HN) 4.70 2.9 0.2
assign (resid 18 and name HA)(resid 21 and name HN) 3.80 2 0.2
assign (resid 18 and name HA)(resid 25 and name HN) 3.90 2.1 0.2
assign (resid 18 and name HA)(resid 25 and name HB1) 3.50 1.7 0.2
assign (resid 18 and name HA)(resid 25 and name HB2) 3.10 1.3 0.2
assign (resid 18 and name HB)(resid 19 and name HN) 3.80 2 0.2
assign (resid 18 and name HG1#)(resid 19 and name HA) 6.00 4.2 0.2
assign (resid 18 and name HG1#)(resid 26 and name HA) 6.00 4.2 0.2
assign (resid 18 and name HG1#)(resid 27 and name HN) 6.00 4.2 0.2
assign (resid 19 and name HN)(resid 19 and name HB1) 4.10 2.3 0.2
assign (resid 19 and name HN)(resid 19 and name HB2) 4.00 2.2 0.2
assign (resid 19 and name HN)(resid 19 and name HG1) 4.90 3.1 0.2
assign (resid 19 and name HN)(resid 19 and name HG2) 4.10 2.3 0.2
assign (resid 19 and name HN)(resid 20 and name HN) 3.60 1.8 0.2
assign (resid 19 and name HN)(resid 21 and name HN) 5.00 3.2 0.2
assign (resid 19 and name HA)(resid 19 and name HB2) 3.00 1.2 0.2
assign (resid 19 and name HA)(resid 21 and name HN) 3.10 1.3 0.2
assign (resid 19 and name HB1)(resid 20 and name HN) 4.60 2.8 0.2
assign (resid 19 and name HB1)(resid 20 and name HA) 4.00 2.2 0.2
assign (resid 19 and name HB2)(resid 20 and name HN) 5.00 3.2 0.2
assign (resid 20 and name HN)(resid 20 and name HB) 3.40 1.6 0.2
assign (resid 20 and name HN)(resid 20 and name HG11) 2.80 1 0.2
assign (resid 20 and name HN)(resid 20 and name HG12) 4.90 3.1 0.2
assign (resid 20 and name HN)(resid 20 and name HG1#) 6.00 4.2 0.2
assign (resid 20 and name HN)(resid 21 and name HN) 2.90 1.1 0.2
assign (resid 20 and name HA)(resid 20 and name HG11) 3.10 1.3 0.2
assign (resid 20 and name HA)(resid 20 and name HG12) 3.00 1.2 0.2
assign (resid 20 and name HA)(resid 21 and name HA) 4.80 3 0.2
assign (resid 20 and name HA)(resid 22 and name HD2) 4.70 2.9 0.2
assign (resid 20 and name HB)(resid 20 and name HG11) 2.50 0.7 0.2
assign (resid 20 and name HB)(resid 20 and name HG12) 2.40 0.6 0.2
assign (resid 20 and name HB)(resid 21 and name HN) 5.00 3.2 0.2
assign (resid 20 and name HG1#)(resid 21 and name HN) 6.00 4.2 0.2
assign (resid 20 and name HG1#)(resid 46 and name HA) 6.00 4.2 0.2
assign (resid 20 and name HG1#)(resid 50 and name HN) 6.00 4.2 0.2
assign (resid 20 and name HG1#)(resid 50 and name HA) 6.00 4.2 0.2
assign (resid 20 and name HG11)(resid 50 and name HA) 3.70 1.9 0.2
assign (resid 20 and name HG1#)(resid 21 and name HN) 6.00 4.2 0.2
assign (resid 20 and name HG1#)(resid 50 and name HN) 6.00 4.2 0.2
assign (resid 20 and name HG1#)(resid 50 and name HA) 6.00 4.2 0.2
assign (resid 20 and name HG1#)(resid 53 and name HN) 6.00 4.2 0.2
assign (resid 20 and name HG1#)(resid 53 and name HB) 6.00 4.2 0.2
assign (resid 21 and name HN)(resid 22 and name HA) 4.20 2.4 0.2
assign (resid 21 and name HN)(resid 22 and name HD1) 4.20 2.4 0.2
assign (resid 21 and name HN)(resid 22 and name HD2) 4.10 2.3 0.2
assign (resid 21 and name HN)(resid 25 and name CG) 7.00 5.2 0.2
assign (resid 21 and name HN)(resid 50 and name HB#) 6.00 4.2 0.2
assign (resid 21 and name HA)(resid 22 and name HD1) 2.80 1 0.2
assign (resid 21 and name HA)(resid 22 and name HD2) 3.50 1.7 0.2
assign (resid 21 and name HA)(resid 24 and name HB#) 6.00 4.2 0.2
assign (resid 21 and name HA)(resid 42 and name HB#) 6.00 4.2 0.2
assign (resid 21 and name O)(resid 25 and name HN) 2.30 0.5 0.2
assign (resid 21 and name O)(resid 25 and name N) 3.00 1.2 0.2
assign (resid 21 and name HB#)(resid 23 and name HN) 6.00 4.2 0.2
assign (resid 21 and name HB#)(resid 24 and name HN) 6.00 4.2 0.2
assign (resid 21 and name HB#)(resid 25 and name HN) 6.00 4.2 0.2
assign (resid 21 and name HB#)(resid 25 and name CG) 8.00 6.2 0.2
assign (resid 21 and name HB#)(resid 25 and name CZ) 8.00 6.2 0.2
assign (resid 21 and name HB#)(resid 42 and name HA) 6.00 4.2 0.2
assign (resid 21 and name HB#)(resid 46 and name HA) 6.00 4.2 0.2
assign (resid 21 and name HB#)(resid 47 and name HN) 6.00 4.2 0.2
assign (resid 21 and name HB#)(resid 47 and name HA) 6.00 4.2 0.2
assign (resid 21 and name HB#)(resid 50 and name HN) 6.00 4.2 0.2
assign (resid 22 and name HA)(resid 25 and name HN) 5.00 3.2 0.2
assign (resid 22 and name HD1)(resid 23 and name HN) 5.00 3.2 0.2
assign (resid 23 and name HN)(resid 24 and name HN) 3.50 1.7 0.2
assign (resid 23 and name HN)(resid 25 and name HN) 3.70 1.9 0.2
assign (resid 23 and name HN)(resid 41 and name HA1) 5.00 3.2 0.2
assign (resid 23 and name HN)(resid 42 and name HB#) 6.00 4.2 0.2
assign (resid 23 and name HA1)(resid 25 and name HN) 5.00 3.2 0.2
assign (resid 24 and name HN)(resid 25 and name HA) 5.00 3.2 0.2
assign (resid 24 and name HN)(resid 25 and name HB2) 5.00 3.2 0.2
assign (resid 24 and name HN)(resid 41 and name HA1) 3.70 1.9 0.2
assign (resid 24 and name HN)(resid 41 and name HA2) 4.50 2.7 0.2
assign (resid 24 and name HN)(resid 42 and name HB#) 6.00 4.2 0.2
assign (resid 24 and name HA)(resid 37 and name HG#) 5.80 4 0.2
assign (resid 24 and name HA)(resid 38 and name HN) 3.50 1.7 0.2
assign (resid 24 and name HA)(resid 41 and name HN) 4.80 3 0.2
assign (resid 24 and name HA)(resid 41 and name HA1) 4.50 2.7 0.2
assign (resid 24 and name HB#)(resid 25 and name CG) 8.00 6.2 0.2
assign (resid 24 and name HB#)(resid 36 and name HG1#) 7.00 5.2 0.2
assign (resid 24 and name HB#)(resid 38 and name HN) 6.00 4.2 0.2
assign (resid 24 and name HB#)(resid 39 and name HA) 6.00 4.2 0.2
assign (resid 24 and name HB#)(resid 41 and name HN) 6.00 4.2 0.2
assign (resid 24 and name HB#)(resid 41 and name HA1) 6.00 4.2 0.2
assign (resid 24 and name HB#)(resid 42 and name HN) 6.00 4.2 0.2
assign (resid 24 and name HB#)(resid 47 and name HG1#) 7.00 5.2 0.2
assign (resid 25 and name HN)(resid 25 and name HB2) 3.80 2 0.2
assign (resid 25 and name HA)(resid 26 and name HN) 2.70 0.9 0.2
assign (resid 25 and name HA)(resid 26 and name HA) 5.00 3.2 0.2
assign (resid 25 and name HA)(resid 26 and name HB#) 6.00 4.2 0.2
assign (resid 25 and name HA)(resid 35 and name HN) 3.30 1.5 0.2
assign (resid 25 and name HA)(resid 36 and name HA) 2.90 1.1 0.2
assign (resid 25 and name HA)(resid 36 and name HG1#) 6.00 4.2 0.2
assign (resid 25 and name HA)(resid 37 and name HN) 3.20 1.4 0.2
assign (resid 25 and name HA)(resid 38 and name HN) 4.50 2.7 0.2
assign (resid 25 and name HB1)(resid 26 and name HN) 3.30 1.5 0.2
assign (resid 25 and name HB1)(resid 35 and name HN) 5.00 3.2 0.2
assign (resid 25 and name HB2)(resid 26 and name HN) 5.00 3.2 0.2
assign (resid 25 and name CG)(resid 36 and name HA) 7.00 5.2 0.2
assign (resid 25 and name CG)(resid 36 and name HG1#) 8.00 6.2 0.2
assign (resid 25 and name CZ)(resid 47 and name HG1#) 8.00 6.2 0.2
assign (resid 25 and name CZ)(resid 47 and name HG1#) 8.00 6.2 0.2
assign (resid 25 and name CZ)(resid 59 and name HG1#) 8.00 6.2 0.2
assign (resid 26 and name HN)(resid 27 and name HN) 4.50 2.7 0.2
assign (resid 26 and name HN)(resid 35 and name HN) 3.30 1.5 0.2
assign (resid 26 and name HN)(resid 36 and name HA) 4.10 2.3 0.2
assign (resid 26 and name HN)(resid 37 and name HG2) 4.60 2.8 0.2
assign (resid 26 and name HN)(resid 37 and name QD) 6.00 4.2 0.2
assign (resid 26 and name HA)(resid 27 and name HN) 3.10 1.3 0.2
assign (resid 26 and name HN)(resid 35 and name O) 2.30 0.5 0.2
assign (resid 26 and name N)(resid 35 and name O) 3.00 1.2 0.2
assign (resid 26 and name O)(resid 35 and name HN) 2.30 0.5 0.2
assign (resid 26 and name O)(resid 35 and name N) 3.00 1.2 0.2
assign (resid 26 and name HA)(resid 35 and name HN) 5.00 3.2 0.2
assign (resid 26 and name HB#)(resid 27 and name HA) 6.00 4.2 0.2
assign (resid 26 and name HB#)(resid 35 and name HN) 6.00 4.2 0.2
assign (resid 26 and name HB#)(resid 35 and name CZ) 8.00 6.2 0.2
assign (resid 27 and name HN)(resid 35 and name CZ) 7.00 5.2 0.2
assign (resid 27 and name HA)(resid 28 and name HN) 3.00 1.2 0.2
assign (resid 27 and name HA)(resid 34 and name HA) 3.50 1.7 0.2
assign (resid 27 and name HA)(resid 35 and name HN) 5.00 3.2 0.2
assign (resid 27 and name HA)(resid 35 and name CG) 7.00 5.2 0.2
assign (resid 27 and name HB1)(resid 28 and name HN) 5.00 3.2 0.2
assign (resid 27 and name HB1)(resid 33 and name HN) 5.00 3.2 0.2
assign (resid 27 and name HB2)(resid 28 and name HN) 5.00 3.2 0.2
assign (resid 27 and name HB#)(resid 34 and name HA) 6.00 4.2 0.2
assign (resid 28 and name HN)(resid 28 and name HB1) 3.30 1.5 0.2
assign (resid 28 and name HN)(resid 28 and name HB2) 3.40 1.6 0.2
assign (resid 28 and name HN)(resid 31 and name HN) 4.60 2.8 0.2
assign (resid 28 and name HN)(resid 31 and name HA) 5.00 3.2 0.2
assign (resid 28 and name HN)(resid 31 and name HG12) 5.00 3.2 0.2
assign (resid 28 and name HN)(resid 32 and name HN) 4.60 2.8 0.2
assign (resid 28 and name HN)(resid 32 and name HA) 3.30 1.5 0.2
assign (resid 28 and name HN)(resid 33 and name HN) 4.00 2.2 0.2
assign (resid 28 and name HN)(resid 34 and name HA) 4.60 2.8 0.2
assign (resid 28 and name HN)(resid 35 and name CG) 7.00 5.2 0.2
assign (resid 28 and name HN)(resid 35 and name CZ) 7.00 5.2 0.2
assign (resid 28 and name O)(resid 33 and name HN) 2.30 0.5 0.2
assign (resid 28 and name O)(resid 33 and name N) 3.00 1.2 0.2
assign (resid 28 and name HN)(resid 33 and name O) 2.30 0.5 0.2
assign (resid 28 and name N)(resid 33 and name O) 3.00 1.2 0.2
assign (resid 28 and name HA)(resid 28 and name HB2) 3.00 1.2 0.2
assign (resid 28 and name HA)(resid 29 and name HA) 4.50 2.7 0.2
assign (resid 28 and name HA)(resid 29 and name HD1) 3.00 1.2 0.2
assign (resid 28 and name HA)(resid 29 and name HD2) 3.10 1.3 0.2
assign (resid 28 and name HA)(resid 30 and name HN) 5.00 3.2 0.2
assign (resid 28 and name HA)(resid 31 and name HN) 5.00 3.2 0.2
assign (resid 28 and name HA)(resid 35 and name CG) 7.00 5.2 0.2
assign (resid 28 and name HA)(resid 35 and name CZ) 5.80 4 0.2
assign (resid 28 and name HB1)(resid 30 and name HN) 5.00 3.2 0.2
assign (resid 28 and name HB1)(resid 31 and name HN) 5.00 3.2 0.2
assign (resid 28 and name HB1)(resid 32 and name HN) 4.80 3 0.2
assign (resid 28 and name HB1)(resid 32 and name HA) 5.00 3.2 0.2
assign (resid 28 and name HB1)(resid 33 and name HN) 3.60 1.8 0.2
assign (resid 28 and name HB2)(resid 31 and name HN) 4.70 2.9 0.2
assign (resid 28 and name HB2)(resid 33 and name HN) 5.00 3.2 0.2
assign (resid 28 and name HB2)(resid 35 and name HN) 5.00 3.2 0.2
assign (resid 28 and name HB2)(resid 35 and name CG) 5.90 4.1 0.2
assign (resid 29 and name HA)(resid 32 and name HN) 4.60 2.8 0.2
assign (resid 29 and name HD1)(resid 30 and name HN) 3.10 1.3 0.2
assign (resid 29 and name HD2)(resid 30 and name HN) 4.60 2.8 0.2
assign (resid 30 and name HN)(resid 30 and name HB2) 2.90 1.1 0.2
assign (resid 30 and name HN)(resid 30 and name HG#) 6.00 4.2 0.2
assign (resid 30 and name HN)(resid 31 and name HN) 3.80 2 0.2
assign (resid 30 and name HN)(resid 31 and name HG1#) 6.00 4.2 0.2
assign (resid 30 and name HN)(resid 32 and name HN) 4.10 2.3 0.2
assign (resid 30 and name HN)(resid 32 and name HA) 4.60 2.8 0.2
assign (resid 30 and name HA)(resid 30 and name HB2) 2.60 0.8 0.2
assign (resid 30 and name HA)(resid 32 and name HN) 4.10 2.3 0.2
assign (resid 30 and name HA)(resid 32 and name HG#) 6.00 4.2 0.2
assign (resid 30 and name HB1)(resid 31 and name HN) 4.00 2.2 0.2
assign (resid 30 and name HB2)(resid 31 and name HN) 3.30 1.5 0.2
assign (resid 31 and name HN)(resid 31 and name HG11) 4.30 2.5 0.2
assign (resid 31 and name HN)(resid 31 and name HG12) 3.20 1.4 0.2
assign (resid 31 and name HN)(resid 31 and name HG1#) 6.00 4.2 0.2
assign (resid 31 and name HN)(resid 32 and name HN) 2.80 1 0.2
assign (resid 31 and name HN)(resid 32 and name HA) 4.50 2.7 0.2
assign (resid 31 and name HA)(resid 32 and name HB2) 4.60 2.8 0.2
assign (resid 31 and name HB)(resid 32 and name HN) 4.50 2.7 0.2
assign (resid 31 and name HB)(resid 33 and name HN) 4.80 3 0.2
assign (resid 31 and name HG1#)(resid 32 and name HN) 6.00 4.2 0.2
assign (resid 31 and name HG11)(resid 33 and name HN) 3.80 2 0.2
assign (resid 31 and name HG12)(resid 32 and name HN) 4.90 3.1 0.2
assign (resid 31 and name HG12)(resid 33 and name HN) 3.80 2 0.2
assign (resid 31 and name HG1#)(resid 33 and name HN) 6.00 4.2 0.2
assign (resid 32 and name HN)(resid 32 and name HA) 2.60 0.8 0.2
assign (resid 32 and name HN)(resid 32 and name HG#) 5.00 3.2 0.2
assign (resid 32 and name HN)(resid 33 and name HN) 3.10 1.3 0.2
assign (resid 32 and name HA)(resid 33 and name HN) 2.90 1.1 0.2
assign (resid 35 and name HN)(resid 35 and name CZ) 6.00 4.2 0.2
assign (resid 35 and name HN)(resid 36 and name HA) 5.00 3.2 0.2
assign (resid 35 and name HA)(resid 36 and name HN) 3.20 1.4 0.2
assign (resid 35 and name HA)(resid 36 and name HB) 5.00 3.2 0.2
assign (resid 35 and name CG)(resid 36 and name HN) 7.00 5.2 0.2
assign (resid 35 and name CG)(resid 36 and name HG1#) 8.00 6.2 0.2
assign (resid 35 and name CG)(resid 37 and name HA) 6.00 4.2 0.2
assign (resid 35 and name CZ)(resid 36 and name HA) 7.00 5.2 0.2
assign (resid 35 and name CZ)(resid 37 and name HA) 5.20 3.4 0.2
assign (resid 35 and name CZ)(resid 38 and name HB1) 7.00 5.2 0.2
assign (resid 35 and name CZ)(resid 38 and name HB2) 6.60 4.8 0.2
assign (resid 36 and name HN)(resid 36 and name HB) 3.00 1.2 0.2
assign (resid 36 and name HA)(resid 37 and name HN) 2.60 0.8 0.2
assign (resid 36 and name HA)(resid 38 and name HN) 4.20 2.4 0.2
assign (resid 36 and name HB)(resid 37 and name HN) 5.00 3.2 0.2
assign (resid 36 and name HG1#)(resid 37 and name HN) 6.00 4.2 0.2
assign (resid 36 and name HG1#)(resid 38 and name HN) 6.00 4.2 0.2
assign (resid 36 and name HG1#)(resid 39 and name HN) 6.00 4.2 0.2
assign (resid 36 and name HG1#)(resid 39 and name HA) 6.00 4.2 0.2
assign (resid 36 and name HG1#)(resid 37 and name HN) 6.00 4.2 0.2
assign (resid 36 and name HG1#)(resid 38 and name HN) 6.00 4.2 0.2
assign (resid 36 and name HG1#)(resid 39 and name HN) 6.00 4.2 0.2
assign (resid 36 and name HG1#)(resid 39 and name HA) 6.00 4.2 0.2
assign (resid 36 and name HG1#)(resid 39 and name HB) 6.00 4.2 0.2
assign (resid 37 and name HN)(resid 37 and name HG#) 6.00 4.2 0.2
assign (resid 37 and name HN)(resid 37 and name QD) 5.90 4.1 0.2
assign (resid 37 and name HN)(resid 38 and name HN) 2.80 1 0.2
assign (resid 37 and name HA)(resid 37 and name HB2) 3.00 1.2 0.2
assign (resid 37 and name HA)(resid 37 and name QD) 6.00 4.2 0.2
assign (resid 37 and name HB1)(resid 38 and name HN) 4.50 2.7 0.2
assign (resid 37 and name HB2)(resid 38 and name HN) 4.40 2.6 0.2
assign (resid 37 and name HG#)(resid 38 and name HN) 6.00 4.2 0.2
assign (resid 38 and name HN)(resid 39 and name HN) 5.00 3.2 0.2
assign (resid 38 and name HN)(resid 39 and name HA) 5.00 3.2 0.2
assign (resid 38 and name HN)(resid 39 and name HG1#) 6.00 4.2 0.2
assign (resid 38 and name HN)(resid 41 and name HA1) 5.00 3.2 0.2
assign (resid 38 and name HA)(resid 39 and name HN) 2.80 1 0.2
assign (resid 38 and name HA)(resid 39 and name HA) 5.00 3.2 0.2
assign (resid 38 and name HA)(resid 40 and name HN) 4.10 2.3 0.2
assign (resid 38 and name HB1)(resid 41 and name HN) 3.60 1.8 0.2
assign (resid 38 and name HB1)(resid 41 and name HA1) 3.10 1.3 0.2
assign (resid 38 and name HB2)(resid 41 and name HN) 4.20 2.4 0.2
assign (resid 39 and name HN)(resid 39 and name HB) 4.00 2.2 0.2
assign (resid 39 and name HN)(resid 40 and name HN) 3.00 1.2 0.2
assign (resid 39 and name HA)(resid 39 and name HB) 3.00 1.2 0.2
assign (resid 39 and name HA)(resid 40 and name HN) 3.50 1.7 0.2
assign (resid 39 and name HA)(resid 41 and name HN) 4.70 2.9 0.2
assign (resid 39 and name HB)(resid 40 and name HN) 4.00 2.2 0.2
assign (resid 39 and name HG1#)(resid 40 and name HN) 6.00 4.2 0.2
assign (resid 39 and name HG1#)(resid 40 and name HN) 6.00 4.2 0.2
assign (resid 40 and name HN)(resid 40 and name HG1) 5.00 3.2 0.2
assign (resid 40 and name HN)(resid 41 and name HN) 3.10 1.3 0.2
assign (resid 40 and name HN)(resid 41 and name HA1) 5.00 3.2 0.2
assign (resid 40 and name HN)(resid 42 and name HN) 5.00 3.2 0.2
assign (resid 40 and name HA)(resid 40 and name HB1) 2.70 0.9 0.2
assign (resid 40 and name HA)(resid 40 and name HG1) 4.00 2.2 0.2
assign (resid 40 and name HA)(resid 40 and name HG2) 3.30 1.5 0.2
assign (resid 40 and name HA)(resid 42 and name HN) 3.60 1.8 0.2
assign (resid 40 and name HB2)(resid 41 and name HN) 5.00 3.2 0.2
assign (resid 41 and name HN)(resid 42 and name HN) 5.00 3.2 0.2
assign (resid 42 and name HA)(resid 43 and name HN) 3.00 1.2 0.2
assign (resid 42 and name HB#)(resid 43 and name HA) 6.00 4.2 0.2
assign (resid 42 and name HB#)(resid 46 and name HN) 6.00 4.2 0.2
assign (resid 42 and name HB#)(resid 47 and name HN) 6.00 4.2 0.2
assign (resid 42 and name HB#)(resid 47 and name HA) 6.00 4.2 0.2
assign (resid 42 and name HB#)(resid 47 and name HG1#) 6.40 4.6 0.2
assign (resid 43 and name HN)(resid 43 and name HB1) 3.20 1.4 0.2
assign (resid 43 and name HN)(resid 44 and name HN) 5.00 3.2 0.2
assign (resid 43 and name HN)(resid 46 and name HN) 4.40 2.6 0.2
assign (resid 43 and name HN)(resid 46 and name HB#) 4.70 2.9 0.2
assign (resid 43 and name HN)(resid 46 and name HG1) 4.00 2.2 0.2
assign (resid 43 and name O)(resid 47 and name HN) 2.30 0.5 0.2
assign (resid 43 and name O)(resid 47 and name N) 2.30 0.5 0.2
assign (resid 43 and name HB1)(resid 44 and name HN) 4.00 2.2 0.2
assign (resid 43 and name HB1)(resid 45 and name HN) 3.80 2 0.2
assign (resid 43 and name HB2)(resid 44 and name HN) 3.20 1.4 0.2
assign (resid 43 and name HB2)(resid 46 and name HN) 3.10 1.3 0.2
assign (resid 44 and name HN)(resid 44 and name HG#) 6.00 4.2 0.2
assign (resid 44 and name HN)(resid 45 and name HN) 3.30 1.5 0.2
assign (resid 44 and name HN)(resid 45 and name HG2) 4.80 3 0.2
assign (resid 44 and name HA)(resid 46 and name HN) 4.40 2.6 0.2
assign (resid 44 and name HA)(resid 47 and name HN) 3.90 2.1 0.2
assign (resid 44 and name HA)(resid 47 and name HB) 3.10 1.3 0.2
assign (resid 44 and name HA)(resid 47 and name HG1#) 6.00 4.2 0.2
assign (resid 44 and name HA)(resid 47 and name HG1#) 6.00 4.2 0.2
assign (resid 44 and name HA)(resid 48 and name HN) 4.60 2.8 0.2
assign (resid 44 and name HA)(resid 61 and name HH2) 4.90 3.1 0.2
assign (resid 44 and name O)(resid 48 and name HN) 2.30 0.5 0.2
assign (resid 44 and name O)(resid 48 and name N) 3.00 1.2 0.2
assign (resid 44 and name HG#)(resid 61 and name HH2) 6.00 4.2 0.2
assign (resid 45 and name HN)(resid 45 and name HB1) 3.80 2 0.2
assign (resid 45 and name HN)(resid 45 and name HB2) 4.00 2.2 0.2
assign (resid 45 and name HN)(resid 45 and name HG1) 4.80 3 0.2
assign (resid 45 and name HN)(resid 45 and name HG2) 4.10 2.3 0.2
assign (resid 45 and name HN)(resid 46 and name HN) 3.40 1.6 0.2
assign (resid 45 and name HA)(resid 46 and name HN) 3.40 1.6 0.2
assign (resid 45 and name HA)(resid 48 and name HN) 3.90 2.1 0.2
assign (resid 45 and name HA)(resid 48 and name HB1) 3.40 1.6 0.2
assign (resid 45 and name HA)(resid 48 and name HG1) 5.00 3.2 0.2
assign (resid 45 and name HA)(resid 49 and name HN) 4.30 2.5 0.2
assign (resid 45 and name O)(resid 49 and name HN) 2.30 0.5 0.2
assign (resid 45 and name O)(resid 49 and name N) 3.00 1.2 0.2
assign (resid 45 and name HB1)(resid 46 and name HN) 4.10 2.3 0.2
assign (resid 45 and name HB1)(resid 49 and name HN) 4.80 3 0.2
assign (resid 46 and name HN)(resid 46 and name HG1) 3.20 1.4 0.2
assign (resid 46 and name HN)(resid 46 and name HG2) 4.00 2.2 0.2
assign (resid 46 and name HN)(resid 47 and name HN) 3.10 1.3 0.2
assign (resid 46 and name HN)(resid 47 and name HB) 4.80 3 0.2
assign (resid 46 and name HN)(resid 47 and name HG1#) 6.00 4.2 0.2
assign (resid 46 and name HN)(resid 47 and name HG1#) 6.00 4.2 0.2
assign (resid 46 and name HA)(resid 46 and name HG1) 3.30 1.5 0.2
assign (resid 46 and name O)(resid 50 and name HN) 2.30 0.5 0.2
assign (resid 46 and name O)(resid 50 and name N) 3.00 1.2 0.2
assign (resid 46 and name HB1)(resid 47 and name HN) 3.40 1.6 0.2
assign (resid 46 and name HB2)(resid 47 and name HN) 4.00 2.2 0.2
assign (resid 46 and name HG1)(resid 47 and name HN) 3.60 1.8 0.2
assign (resid 46 and name HG2)(resid 47 and name HN) 5.00 3.2 0.2
assign (resid 47 and name HN)(resid 47 and name HB) 2.70 0.9 0.2
assign (resid 47 and name HN)(resid 47 and name HG1#) 4.50 2.7 0.2
assign (resid 47 and name HN)(resid 48 and name HN) 3.40 1.6 0.2
assign (resid 47 and name HA)(resid 50 and name HN) 4.10 2.3 0.2
assign (resid 47 and name HA)(resid 50 and name HB#) 6.00 4.2 0.2
assign (resid 47 and name HB)(resid 48 and name HN) 3.10 1.3 0.2
assign (resid 47 and name HB)(resid 61 and name HZ2) 5.00 3.2 0.2
assign (resid 47 and name HB)(resid 61 and name HH2) 4.70 2.9 0.2
assign (resid 47 and name HG1#)(resid 48 and name HN) 6.00 4.2 0.2
assign (resid 47 and name HG1#)(resid 48 and name HN) 6.00 4.2 0.2
assign (resid 47 and name HG1#)(resid 48 and name HA) 6.00 4.2 0.2
assign (resid 47 and name HG1#)(resid 51 and name HG#) 7.00 5.2 0.2
assign (resid 47 and name HG1#)(resid 51 and name HE#) 7.00 5.2 0.2
assign (resid 47 and name HG1#)(resid 61 and name HZ2) 6.00 4.2 0.2
assign (resid 47 and name HG1#)(resid 61 and name HH2) 5.90 4.1 0.2
assign (resid 48 and name HN)(resid 48 and name HB1) 2.80 1 0.2
assign (resid 48 and name HN)(resid 48 and name HG1) 3.30 1.5 0.2
assign (resid 48 and name HN)(resid 48 and name HG2) 3.70 1.9 0.2
assign (resid 48 and name HN)(resid 49 and name HN) 3.30 1.5 0.2
assign (resid 48 and name HN)(resid 50 and name HN) 4.60 2.8 0.2
assign (resid 48 and name O)(resid 51 and name HN) 2.30 0.5 0.2
assign (resid 48 and name O)(resid 51 and name N) 3.00 1.2 0.2
assign (resid 48 and name HA)(resid 48 and name HG1) 4.00 2.2 0.2
assign (resid 48 and name HA)(resid 48 and name HG2) 3.60 1.8 0.2
assign (resid 48 and name HA)(resid 50 and name HN) 5.00 3.2 0.2
assign (resid 48 and name HA)(resid 51 and name HN) 3.40 1.6 0.2
assign (resid 48 and name HA)(resid 51 and name HB#) 3.90 2.1 0.2
assign (resid 48 and name HA)(resid 52 and name HN) 4.60 2.8 0.2
assign (resid 48 and name HA)(resid 61 and name HZ2) 5.00 3.2 0.2
assign (resid 48 and name O)(resid 52 and name HN) 2.30 0.5 0.2
assign (resid 48 and name O)(resid 52 and name N) 3.00 1.2 0.2
assign (resid 48 and name HB1)(resid 49 and name HN) 4.40 2.6 0.2
assign (resid 48 and name HB2)(resid 49 and name HN) 2.90 1.1 0.2
assign (resid 48 and name HG1)(resid 61 and name HZ2) 4.20 2.4 0.2
assign (resid 48 and name HG2)(resid 61 and name HZ2) 3.50 1.7 0.2
assign (resid 49 and name HN)(resid 49 and name HG#) 6.00 4.2 0.2
assign (resid 49 and name HN)(resid 50 and name HN) 3.10 1.3 0.2
assign (resid 49 and name HN)(resid 51 and name HN) 4.70 2.9 0.2
assign (resid 49 and name HA)(resid 52 and name HN) 3.30 1.5 0.2
assign (resid 49 and name HA)(resid 52 and name HB1) 3.80 2 0.2
assign (resid 49 and name HA)(resid 52 and name HB2) 3.70 1.9 0.2
assign (resid 49 and name O)(resid 53 and name HN) 2.30 0.5 0.2
assign (resid 49 and name O)(resid 53 and name N) 3.00 1.2 0.2
assign (resid 50 and name HN)(resid 51 and name HN) 2.70 0.9 0.2
assign (resid 50 and name HN)(resid 53 and name HN) 4.80 3 0.2
assign (resid 50 and name HA)(resid 53 and name HN) 4.40 2.6 0.2
assign (resid 50 and name HA)(resid 53 and name HG1#) 6.00 4.2 0.2
assign (resid 50 and name HB#)(resid 51 and name HA) 6.00 4.2 0.2
assign (resid 51 and name HN)(resid 51 and name HB1) 2.80 1 0.2
assign (resid 51 and name HN)(resid 51 and name HB2) 2.60 0.8 0.2
assign (resid 51 and name HN)(resid 51 and name HG#) 6.00 4.2 0.2
assign (resid 51 and name HN)(resid 52 and name HN) 3.00 1.2 0.2
assign (resid 51 and name HA)(resid 53 and name HN) 5.00 3.2 0.2
assign (resid 51 and name HA)(resid 59 and name HG1#) 6.00 4.2 0.2
assign (resid 51 and name HA)(resid 59 and name HG1#) 6.00 4.2 0.2
assign (resid 51 and name HB1)(resid 51 and name HE#) 6.00 4.2 0.2
assign (resid 51 and name HB1)(resid 52 and name HN) 3.10 1.3 0.2
assign (resid 51 and name HB2)(resid 51 and name HE#) 6.00 4.2 0.2
assign (resid 51 and name HB2)(resid 52 and name HN) 5.00 3.2 0.2
assign (resid 51 and name HB2)(resid 59 and name HG1#) 6.00 4.2 0.2
assign (resid 51 and name HG#)(resid 59 and name HG1#) 7.00 5.2 0.2
assign (resid 51 and name HE#)(resid 60 and name HN) 6.00 4.2 0.2
assign (resid 51 and name HE#)(resid 61 and name HN) 6.00 4.2 0.2
assign (resid 51 and name HE#)(resid 61 and name HD1) 6.00 4.2 0.2
assign (resid 51 and name HE#)(resid 61 and name HE1) 6.00 4.2 0.2
assign (resid 51 and name HE#)(resid 61 and name HZ2) 6.00 4.2 0.2
assign (resid 52 and name HN)(resid 52 and name HB1) 3.10 1.3 0.2
assign (resid 52 and name HN)(resid 52 and name HB2) 4.10 2.3 0.2
assign (resid 52 and name HN)(resid 53 and name HN) 3.60 1.8 0.2
assign (resid 52 and name HB1)(resid 53 and name HN) 4.90 3.1 0.2
assign (resid 52 and name HB2)(resid 53 and name HN) 5.00 3.2 0.2
assign (resid 54 and name HB1)(resid 57 and name HA) 3.00 1.2 0.2
assign (resid 54 and name HB1)(resid 57 and name HG#) 4.00 2.2 0.2
assign (resid 54 and name HB1)(resid 59 and name HB) 5.00 3.2 0.2
assign (resid 55 and name HA)(resid 57 and name HN) 5.00 3.2 0.2
assign (resid 58 and name HA)(resid 60 and name HD1) 5.00 3.2 0.2
assign (resid 59 and name HA)(resid 60 and name HN) 3.50 1.7 0.2
assign (resid 59 and name HG1#)(resid 60 and name HN) 6.00 4.2 0.2
assign (resid 60 and name HN)(resid 60 and name HD1) 5.00 3.2 0.2
assign (resid 60 and name HA)(resid 61 and name HN) 3.50 1.7 0.2
assign (resid 60 and name HB1)(resid 61 and name HN) 3.20 1.4 0.2
assign (resid 60 and name HB2)(resid 61 and name HN) 5.00 3.2 0.2
assign (resid 61 and name HN)(resid 61 and name HD1) 5.00 3.2 0.2
assign (resid 61 and name HA)(resid 61 and name HE3) 3.40 1.6 0.2
assign (resid 61 and name HA)(resid 62 and name HN) 3.00 1.2 0.2
assign (resid 61 and name HB1)(resid 62 and name HN) 3.60 1.8 0.2
assign (resid 61 and name HB1)(resid 63 and name HN) 5.00 3.2 0.2
assign (resid 61 and name HB2)(resid 61 and name HD1) 3.50 1.7 0.2
assign (resid 61 and name HB2)(resid 61 and name HE3) 3.70 1.9 0.2
assign (resid 61 and name HB2)(resid 62 and name HN) 5.00 3.2 0.2
assign (resid 61 and name HE3)(resid 62 and name HN) 5.00 3.2 0.2
assign (resid 62 and name HN)(resid 62 and name HB1) 4.20 2.4 0.2
assign (resid 62 and name HN)(resid 62 and name HB2) 3.40 1.6 0.2
assign (resid 62 and name HN)(resid 62 and name HG1) 5.00 3.2 0.2
assign (resid 62 and name HN)(resid 62 and name HG2) 5.00 3.2 0.2
assign (resid 62 and name HA)(resid 62 and name HG1) 3.50 1.7 0.2
assign (resid 62 and name HA)(resid 63 and name HN) 3.40 1.6 0.2
assign (resid 62 and name HB1)(resid 63 and name HN) 5.00 3.2 0.2
assign (resid 62 and name HB2)(resid 63 and name HN) 5.00 3.2 0.2
assign (resid 63 and name HN)(resid 64 and name HN) 5.00 3.2 0.2
assign (resid 63 and name HN)(resid 64 and name HB#) 6.00 4.2 0.2

REMARK Angle restraints
REStraints
   DIHEdral

     reset

     assign (resid 11 and name CA) (resid 11 and name CB) 
	    (resid 11 and name SG) (resid 65 and name FE1) 1 75.00 0.0 2
     assign (resid 14 and name CA) (resid 14 and name CB) 
	    (resid 14 and name SG) (resid 65 and name FE2) 1 315 0.0 2
     assign (resid 17 and name CA) (resid 17 and name CB) 
	    (resid 17 and name SG) (resid 65 and name FE3) 1 245 0.0 2
     assign (resid 54 and name CA) (resid 54 and name CB) 
	    (resid 54 and name SG) (resid 65 and name FE4) 1 80 0.0 2

   end
end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   ALA   1           HA       ALA   1 -11.948   9.969   7.242
    2   1HB   ALA   1          2HB       ALA   1 -11.926  12.377   8.201
    3   2HB   ALA   1          1HB       ALA   1 -10.402  11.912   8.956
    4   3HB   ALA   1          3HB       ALA   1 -10.561  11.882   7.200
    5    QB   ALA   1           QB       ALA   1 -10.963  12.057   8.119
    6    H    ARG   2           H        ARG   2 -10.580   8.289   6.906
    7    HA   ARG   2           HA       ARG   2  -8.301   7.932   8.794
    8   1HB   ARG   2          2HB       ARG   2  -9.980   6.296   9.472
    9   2HB   ARG   2          1HB       ARG   2 -10.157   5.744   7.806
   10   1HG   ARG   2          2HG       ARG   2  -8.700   4.171   8.865
   11   2HG   ARG   2          1HG       ARG   2  -7.664   5.193   7.869
   12   1HD   ARG   2          2HD       ARG   2  -6.567   6.004   9.670
   13   2HD   ARG   2          1HD       ARG   2  -8.071   6.300  10.542
   14    HE   ARG   2           HE       ARG   2  -7.512   3.482  10.488
   15   1HH1  ARG   2          1HH1      ARG   2  -7.258   2.681  12.623
   16   2HH1  ARG   2          2HH1      ARG   2  -6.349   3.624  13.756
   17   1HH2  ARG   2          1HH2      ARG   2  -6.017   6.345  11.633
   18   2HH2  ARG   2          2HH2      ARG   2  -5.649   5.698  13.197
   19    QB   ARG   2           QB       ARG   2 -10.069   6.020   8.639
   20    QG   ARG   2           QG       ARG   2  -8.182   4.682   8.367
   21    QD   ARG   2           QD       ARG   2  -7.319   6.152  10.106
   22    QH1  ARG   2           QH1      ARG   2  -6.804   3.153  13.189
   23    QH2  ARG   2           QH2      ARG   2  -5.833   6.021  12.415
   24    H    LYS   3           H        LYS   3  -6.519   8.195   7.531
   25    HA   LYS   3           HA       LYS   3  -6.654   7.325   4.686
   26   1HB   LYS   3          2HB       LYS   3  -5.727   9.661   5.760
   27   2HB   LYS   3          1HB       LYS   3  -4.235   8.727   5.645
   28   1HG   LYS   3          2HG       LYS   3  -4.333   9.714   3.531
   29   2HG   LYS   3          1HG       LYS   3  -5.105   8.155   3.233
   30   1HD   LYS   3          2HD       LYS   3  -6.917   9.272   2.499
   31   2HD   LYS   3          1HD       LYS   3  -7.162   9.848   4.148
   32   1HE   LYS   3          2HE       LYS   3  -5.590  11.201   1.942
   33   2HE   LYS   3          1HE       LYS   3  -7.043  11.796   2.744
   34   1HZ   LYS   3          3HZ       LYS   3  -5.506  11.489   4.847
   35   2HZ   LYS   3          2HZ       LYS   3  -4.283  11.738   3.694
   36   3HZ   LYS   3          1HZ       LYS   3  -5.486  12.914   3.927
   37    QB   LYS   3           QB       LYS   3  -4.981   9.194   5.703
   38    QG   LYS   3           QG       LYS   3  -4.719   8.935   3.382
   39    QD   LYS   3           QD       LYS   3  -7.039   9.560   3.323
   40    QE   LYS   3           QE       LYS   3  -6.317  11.499   2.343
   41    QZ   LYS   3           QZ       LYS   3  -5.092  12.047   4.156
   42    H    PHE   4           H        PHE   4  -3.772   7.076   4.415
   43    HA   PHE   4           HA       PHE   4  -2.631   5.247   6.253
   44   1HB   PHE   4          2HB       PHE   4  -3.044   3.111   5.235
   45   2HB   PHE   4          1HB       PHE   4  -4.618   3.881   5.419
   46    HD1  PHE   4          1HD       PHE   4  -5.684   5.023   3.455
   47    HD2  PHE   4          2HD       PHE   4  -2.154   2.607   3.070
   48    HE1  PHE   4          1HE       PHE   4  -6.064   4.858   1.009
   49    HE2  PHE   4          2HE       PHE   4  -2.533   2.443   0.625
   50    HZ   PHE   4           HZ       PHE   4  -4.488   3.567  -0.406
   51    QB   PHE   4           QB       PHE   4  -3.831   3.496   5.327
   52    QD   PHE   4           QD       PHE   4  -3.919   3.815   3.262
   53    QE   PHE   4           QE       PHE   4  -4.298   3.650   0.817
   54    QR   PHE   4           QR       PHE   4  -4.184   3.700   1.551
   55    H    TYR   5           H        TYR   5  -1.107   3.627   4.583
   56    HA   TYR   5           HA       TYR   5  -0.142   4.727   2.202
   57   1HB   TYR   5          2HB       TYR   5   1.867   5.944   2.935
   58   2HB   TYR   5          1HB       TYR   5   0.429   6.737   3.562
   59    HD1  TYR   5          1HD       TYR   5  -0.280   6.316   5.955
   60    HD2  TYR   5          2HD       TYR   5   3.496   4.997   4.389
   61    HE1  TYR   5          1HE       TYR   5   0.576   6.027   8.264
   62    HE2  TYR   5          2HE       TYR   5   4.350   4.705   6.697
   63    HH   TYR   5           HH       TYR   5   2.240   5.140   9.506
   64    QB   TYR   5           QB       TYR   5   1.148   6.341   3.248
   65    QD   TYR   5           QD       TYR   5   1.608   5.657   5.172
   66    QE   TYR   5           QE       TYR   5   2.463   5.366   7.481
   67    QR   TYR   5           QR       TYR   5   2.036   5.511   6.326
   68    H    VAL   6           H        VAL   6   2.586   4.166   2.435
   69    HA   VAL   6           HA       VAL   6   2.726   1.655   3.966
   70    HB   VAL   6           HB       VAL   6   3.341   1.517   1.038
   71   1HG1  VAL   6          3HG1      VAL   6   3.265  -0.189   3.391
   72   2HG1  VAL   6          2HG1      VAL   6   2.359  -0.869   2.048
   73   3HG1  VAL   6          1HG1      VAL   6   4.062  -0.451   1.844
   74   1HG2  VAL   6          3HG2      VAL   6   0.668   0.964   2.378
   75   2HG2  VAL   6          2HG2      VAL   6   0.985   2.261   1.228
   76   3HG2  VAL   6          1HG2      VAL   6   1.069   0.577   0.706
   77    QG1  VAL   6           QG1      VAL   6   3.229  -0.503   2.428
   78    QG2  VAL   6           QG2      VAL   6   0.907   1.267   1.437
   79    QQG  VAL   6           QQG      VAL   6   2.068   0.382   1.932
   80    H    ASP   7           H        ASP   7   4.846   0.594   3.746
   81    HA   ASP   7           HA       ASP   7   6.967   2.633   3.419
   82   1HB   ASP   7          2HB       ASP   7   6.414   0.890   5.529
   83   2HB   ASP   7          1HB       ASP   7   7.800   0.170   4.717
   84    QB   ASP   7           QB       ASP   7   7.107   0.530   5.123
   85    H    GLN   8           H        GLN   8   6.538   2.052   1.103
   86    HA   GLN   8           HA       GLN   8   7.081  -0.369  -0.161
   87   1HB   GLN   8          2HB       GLN   8   7.751   0.933  -2.107
   88   2HB   GLN   8          1HB       GLN   8   6.431   1.776  -1.294
   89   1HG   GLN   8          2HG       GLN   8   9.300   2.415  -0.631
   90   2HG   GLN   8          1HG       GLN   8   8.497   3.174  -2.006
   91   1HE2  GLN   8          2HE2      GLN   8   6.318   5.154   0.020
   92   2HE2  GLN   8          1HE2      GLN   8   6.551   4.511  -1.532
   93    QB   GLN   8           QB       GLN   8   7.091   1.355  -1.700
   94    QG   GLN   8           QG       GLN   8   8.899   2.794  -1.318
   95    QE2  GLN   8           QE2      GLN   8   6.434   4.832  -0.756
   96    H    ASP   9           H        ASP   9   9.209   1.513   1.744
   97    HA   ASP   9           HA       ASP   9  11.723   0.791   0.549
   98   1HB   ASP   9          2HB       ASP   9  10.852   2.251   2.831
   99   2HB   ASP   9          1HB       ASP   9  11.949   0.999   3.414
  100    QB   ASP   9           QB       ASP   9  11.401   1.625   3.122
  101    H    GLU  10           H        GLU  10   9.541  -0.749   2.793
  102    HA   GLU  10           HA       GLU  10  11.387  -3.029   3.201
  103   1HB   GLU  10          2HB       GLU  10   9.632  -1.828   4.894
  104   2HB   GLU  10          1HB       GLU  10   8.604  -3.082   4.224
  105   1HG   GLU  10          2HG       GLU  10  11.264  -3.468   5.620
  106   2HG   GLU  10          1HG       GLU  10   9.681  -3.986   6.196
  107    QB   GLU  10           QB       GLU  10   9.118  -2.455   4.559
  108    QG   GLU  10           QG       GLU  10  10.472  -3.727   5.908
  109    H    CYS  11           H        CYS  11   9.281  -2.046   0.856
  110    HA   CYS  11           HA       CYS  11   7.684  -4.385   0.409
  111   1HB   CYS  11          1HB       CYS  11   7.013  -2.348  -0.655
  112   2HB   CYS  11          2HB       CYS  11   8.594  -2.149  -1.411
  113    QB   CYS  11           QB       CYS  11   7.804  -2.248  -1.033
  114    H    ILE  12           H        ILE  12   8.235  -6.316  -0.451
  115    HA   ILE  12           HA       ILE  12  11.022  -6.726  -1.324
  116    HB   ILE  12           HB       ILE  12  10.469  -9.106  -1.247
  117   1HG1  ILE  12          2HG1      ILE  12   7.640  -8.262  -0.562
  118   2HG1  ILE  12          1HG1      ILE  12   8.131  -8.763  -2.180
  119   1HG2  ILE  12          1HG2      ILE  12  10.094  -7.267   0.958
  120   2HG2  ILE  12          3HG2      ILE  12   9.105  -8.709   1.181
  121   3HG2  ILE  12          2HG2      ILE  12  10.847  -8.862   0.959
  122   1HD1  ILE  12          2HD1      ILE  12   9.148 -10.720  -0.414
  123   2HD1  ILE  12          1HD1      ILE  12   7.491 -10.409   0.105
  124   3HD1  ILE  12          3HD1      ILE  12   7.819 -10.903  -1.557
  125    QG1  ILE  12           QG1      ILE  12   7.885  -8.513  -1.371
  126    QG2  ILE  12           QG2      ILE  12  10.015  -8.279   1.033
  127    QD1  ILE  12           QD1      ILE  12   8.153 -10.678  -0.622
  128    H    ALA  13           H        ALA  13  10.003  -9.051  -3.044
  129    HA   ALA  13           HA       ALA  13   9.469  -7.389  -5.463
  130   1HB   ALA  13          1HB       ALA  13  10.911  -9.981  -4.997
  131   2HB   ALA  13          3HB       ALA  13  10.210  -9.656  -6.582
  132   3HB   ALA  13          2HB       ALA  13  11.429  -8.567  -5.917
  133    QB   ALA  13           QB       ALA  13  10.850  -9.401  -5.832
  134    H    CYS  14           H        CYS  14   7.192  -7.781  -4.046
  135    HA   CYS  14           HA       CYS  14   5.794  -9.852  -5.674
  136   1HB   CYS  14          1HB       CYS  14   5.078 -10.997  -3.876
  137   2HB   CYS  14          2HB       CYS  14   6.239 -10.077  -2.925
  138    QB   CYS  14           QB       CYS  14   5.659 -10.537  -3.400
  139    H    GLU  15           H        GLU  15   3.523  -9.371  -6.035
  140    HA   GLU  15           HA       GLU  15   2.872  -6.486  -5.583
  141   1HB   GLU  15          2HB       GLU  15   1.422  -6.893  -7.727
  142   2HB   GLU  15          1HB       GLU  15   3.157  -6.628  -7.904
  143   1HG   GLU  15          2HG       GLU  15   3.573  -8.810  -8.484
  144   2HG   GLU  15          1HG       GLU  15   2.274  -9.438  -7.470
  145    QB   GLU  15           QB       GLU  15   2.289  -6.761  -7.816
  146    QG   GLU  15           QG       GLU  15   2.924  -9.124  -7.977
  147    H    SER  16           H        SER  16   2.162  -9.153  -4.147
  148    HA   SER  16           HA       SER  16  -0.479  -9.923  -4.461
  149   1HB   SER  16          2HB       SER  16   0.320  -9.290  -1.664
  150   2HB   SER  16          1HB       SER  16  -0.356 -10.774  -2.331
  151    HG   SER  16           HG       SER  16   1.643 -11.293  -3.148
  152    QB   SER  16           QB       SER  16  -0.018 -10.032  -1.998
  153    H    CYS  17           H        CYS  17   0.622  -7.093  -2.565
  154    HA   CYS  17           HA       CYS  17  -1.993  -6.132  -1.936
  155   1HB   CYS  17          1HB       CYS  17  -0.924  -4.111  -1.267
  156   2HB   CYS  17          2HB       CYS  17   0.258  -5.381  -0.951
  157    QB   CYS  17           QB       CYS  17  -0.333  -4.746  -1.109
  158    H    VAL  18           H        VAL  18   0.269  -5.046  -4.494
  159    HA   VAL  18           HA       VAL  18  -1.296  -3.177  -5.798
  160    HB   VAL  18           HB       VAL  18   0.398  -5.342  -7.084
  161   1HG1  VAL  18          3HG1      VAL  18  -1.377  -3.755  -8.395
  162   2HG1  VAL  18          2HG1      VAL  18   0.033  -2.696  -8.371
  163   3HG1  VAL  18          1HG1      VAL  18   0.145  -4.297  -9.101
  164   1HG2  VAL  18          3HG2      VAL  18   0.983  -2.932  -5.553
  165   2HG2  VAL  18          2HG2      VAL  18   2.081  -4.200  -6.096
  166   3HG2  VAL  18          1HG2      VAL  18   1.685  -2.857  -7.169
  167    QG1  VAL  18           QG1      VAL  18  -0.400  -3.583  -8.622
  168    QG2  VAL  18           QG2      VAL  18   1.583  -3.330  -6.273
  169    QQG  VAL  18           QQG      VAL  18   0.592  -3.456  -7.447
  170    H    GLU  19           H        GLU  19  -1.681  -6.696  -5.864
  171    HA   GLU  19           HA       GLU  19  -3.707  -6.640  -7.937
  172   1HB   GLU  19          2HB       GLU  19  -2.284  -8.642  -6.485
  173   2HB   GLU  19          1HB       GLU  19  -4.007  -8.939  -6.249
  174   1HG   GLU  19          2HG       GLU  19  -3.555  -8.242  -9.000
  175   2HG   GLU  19          1HG       GLU  19  -2.443  -9.534  -8.547
  176    QB   GLU  19           QB       GLU  19  -3.146  -8.791  -6.367
  177    QG   GLU  19           QG       GLU  19  -2.999  -8.888  -8.773
  178    H    ILE  20           H        ILE  20  -3.722  -6.567  -4.417
  179    HA   ILE  20           HA       ILE  20  -6.670  -6.540  -4.391
  180    HB   ILE  20           HB       ILE  20  -4.781  -6.090  -2.097
  181   1HG1  ILE  20          2HG1      ILE  20  -5.804  -8.543  -3.318
  182   2HG1  ILE  20          1HG1      ILE  20  -4.153  -8.164  -2.932
  183   1HG2  ILE  20          1HG2      ILE  20  -7.400  -5.602  -2.100
  184   2HG2  ILE  20          3HG2      ILE  20  -7.459  -7.347  -1.849
  185   3HG2  ILE  20          2HG2      ILE  20  -6.604  -6.319  -0.700
  186   1HD1  ILE  20          3HD1      ILE  20  -5.454  -7.975  -0.487
  187   2HD1  ILE  20          2HD1      ILE  20  -6.228  -9.364  -1.251
  188   3HD1  ILE  20          1HD1      ILE  20  -4.479  -9.343  -1.025
  189    QG1  ILE  20           QG1      ILE  20  -4.979  -8.353  -3.125
  190    QG2  ILE  20           QG2      ILE  20  -7.154  -6.423  -1.550
  191    QD1  ILE  20           QD1      ILE  20  -5.387  -8.894  -0.921
  192    H    ALA  21           H        ALA  21  -4.692  -4.416  -5.558
  193    HA   ALA  21           HA       ALA  21  -6.337  -2.129  -4.975
  194   1HB   ALA  21          2HB       ALA  21  -3.731  -2.408  -3.477
  195   2HB   ALA  21          1HB       ALA  21  -4.408  -0.822  -3.849
  196   3HB   ALA  21          3HB       ALA  21  -5.314  -1.955  -2.847
  197    QB   ALA  21           QB       ALA  21  -4.484  -1.728  -3.391
  198    HA   PRO  22           HA       PRO  22  -3.413  -2.019  -8.598
  199   1HB   PRO  22          2HB       PRO  22  -5.275  -2.221 -10.565
  200   2HB   PRO  22          1HB       PRO  22  -4.501  -3.624  -9.828
  201   1HG   PRO  22          2HG       PRO  22  -7.219  -2.504  -9.340
  202   2HG   PRO  22          1HG       PRO  22  -6.683  -4.191  -9.332
  203   1HD   PRO  22          2HD       PRO  22  -7.146  -2.685  -7.066
  204   2HD   PRO  22          1HD       PRO  22  -6.105  -4.122  -7.128
  205    QB   PRO  22           QB       PRO  22  -4.888  -2.922 -10.197
  206    QG   PRO  22           QG       PRO  22  -6.951  -3.347  -9.336
  207    QD   PRO  22           QD       PRO  22  -6.625  -3.403  -7.097
  208    H    GLY  23           H        GLY  23  -4.165   0.161  -7.092
  209   1HA   GLY  23          2HA       GLY  23  -4.486   2.229  -9.102
  210   2HA   GLY  23          1HA       GLY  23  -5.911   2.081  -8.069
  211    QA   GLY  23           QA       GLY  23  -5.198   2.155  -8.585
  212    H    ALA  24           H        ALA  24  -4.635   1.373  -5.654
  213    HA   ALA  24           HA       ALA  24  -3.458   3.993  -4.930
  214   1HB   ALA  24          1HB       ALA  24  -4.866   1.817  -3.500
  215   2HB   ALA  24          3HB       ALA  24  -3.558   2.579  -2.597
  216   3HB   ALA  24          2HB       ALA  24  -4.893   3.556  -3.207
  217    QB   ALA  24           QB       ALA  24  -4.439   2.650  -3.102
  218    H    PHE  25           H        PHE  25  -2.706   0.511  -4.672
  219    HA   PHE  25           HA       PHE  25   0.071   1.156  -3.882
  220   1HB   PHE  25          2HB       PHE  25  -1.665  -1.022  -3.431
  221   2HB   PHE  25          1HB       PHE  25  -0.419  -1.635  -4.516
  222    HD1  PHE  25          1HD       PHE  25  -0.946  -2.247  -1.463
  223    HD2  PHE  25          2HD       PHE  25   1.774   0.325  -3.565
  224    HE1  PHE  25          1HE       PHE  25   0.660  -2.403   0.421
  225    HE2  PHE  25          2HE       PHE  25   3.375   0.168  -1.680
  226    HZ   PHE  25           HZ       PHE  25   2.827  -1.199   0.301
  227    QB   PHE  25           QB       PHE  25  -1.042  -1.328  -3.973
  228    QD   PHE  25           QD       PHE  25   0.414  -0.961  -2.514
  229    QE   PHE  25           QE       PHE  25   2.018  -1.118  -0.630
  230    QR   PHE  25           QR       PHE  25   1.538  -1.071  -1.197
  231    H    ALA  26           H        ALA  26   1.810   0.971  -5.304
  232    HA   ALA  26           HA       ALA  26   1.721  -0.499  -7.774
  233   1HB   ALA  26          2HB       ALA  26   0.989   2.407  -7.821
  234   2HB   ALA  26          1HB       ALA  26   1.941   1.750  -9.152
  235   3HB   ALA  26          3HB       ALA  26   0.350   1.080  -8.790
  236    QB   ALA  26           QB       ALA  26   1.093   1.746  -8.587
  237    H    MET  27           H        MET  27   3.832  -0.951  -8.184
  238    HA   MET  27           HA       MET  27   5.962   0.257  -6.723
  239   1HB   MET  27          2HB       MET  27   6.158  -1.317  -9.297
  240   2HB   MET  27          1HB       MET  27   7.452  -1.063  -8.125
  241   1HG   MET  27          2HG       MET  27   6.747  -2.826  -6.920
  242   2HG   MET  27          1HG       MET  27   5.150  -2.098  -6.754
  243   1HE   MET  27          1HE       MET  27   7.427  -4.465  -8.107
  244   2HE   MET  27          3HE       MET  27   6.588  -5.484  -9.285
  245   3HE   MET  27          2HE       MET  27   7.288  -3.947  -9.785
  246    QB   MET  27           QB       MET  27   6.805  -1.190  -8.711
  247    QG   MET  27           QG       MET  27   5.949  -2.462  -6.837
  248    QE   MET  27           QE       MET  27   7.101  -4.632  -9.059
  249    H    ASP  28           H        ASP  28   7.718   1.669  -7.493
  250    HA   ASP  28           HA       ASP  28   6.935   3.146  -9.983
  251   1HB   ASP  28          2HB       ASP  28   6.726   4.166  -7.425
  252   2HB   ASP  28          1HB       ASP  28   8.342   4.673  -7.907
  253    QB   ASP  28           QB       ASP  28   7.534   4.420  -7.666
  254    HA   PRO  29           HA       PRO  29  11.200   2.504 -10.837
  255   1HB   PRO  29          2HB       PRO  29  11.760   4.580 -12.497
  256   2HB   PRO  29          1HB       PRO  29  10.751   3.219 -12.983
  257   1HG   PRO  29          2HG       PRO  29   9.956   5.981 -12.315
  258   2HG   PRO  29          1HG       PRO  29   9.120   4.783 -13.309
  259   1HD   PRO  29          2HD       PRO  29   8.531   5.508 -10.630
  260   2HD   PRO  29          1HD       PRO  29   7.793   4.207 -11.571
  261    QB   PRO  29           QB       PRO  29  11.256   3.899 -12.740
  262    QG   PRO  29           QG       PRO  29   9.538   5.382 -12.812
  263    QD   PRO  29           QD       PRO  29   8.162   4.857 -11.101
  264    H    GLU  30           H        GLU  30  10.067   5.394  -9.393
  265    HA   GLU  30           HA       GLU  30  12.737   6.446  -8.718
  266   1HB   GLU  30          2HB       GLU  30  10.129   7.524  -8.830
  267   2HB   GLU  30          1HB       GLU  30  10.586   7.551  -7.128
  268   1HG   GLU  30          2HG       GLU  30  12.503   8.874  -7.547
  269   2HG   GLU  30          1HG       GLU  30  12.466   8.528  -9.277
  270    QB   GLU  30           QB       GLU  30  10.357   7.538  -7.979
  271    QG   GLU  30           QG       GLU  30  12.484   8.701  -8.412
  272    H    ILE  31           H        ILE  31  10.037   4.734  -7.245
  273    HA   ILE  31           HA       ILE  31  11.644   4.283  -4.808
  274    HB   ILE  31           HB       ILE  31   9.400   3.227  -4.016
  275   1HG1  ILE  31          2HG1      ILE  31   8.357   5.125  -6.123
  276   2HG1  ILE  31          1HG1      ILE  31   8.484   3.388  -6.403
  277   1HG2  ILE  31          1HG2      ILE  31   9.986   6.162  -4.397
  278   2HG2  ILE  31          3HG2      ILE  31   8.545   5.621  -3.537
  279   3HG2  ILE  31          2HG2      ILE  31  10.146   5.192  -2.933
  280   1HD1  ILE  31          3HD1      ILE  31   7.254   3.658  -3.884
  281   2HD1  ILE  31          2HD1      ILE  31   6.470   4.849  -4.922
  282   3HD1  ILE  31          1HD1      ILE  31   6.487   3.148  -5.389
  283    QG1  ILE  31           QG1      ILE  31   8.420   4.256  -6.263
  284    QG2  ILE  31           QG2      ILE  31   9.559   5.658  -3.622
  285    QD1  ILE  31           QD1      ILE  31   6.737   3.885  -4.731
  286    H    GLU  32           H        GLU  32  11.107   2.931  -7.737
  287    HA   GLU  32           HA       GLU  32  11.018   0.707  -8.538
  288   1HB   GLU  32          2HB       GLU  32  13.305   0.604  -6.539
  289   2HB   GLU  32          1HB       GLU  32  13.071  -0.510  -7.887
  290   1HG   GLU  32          2HG       GLU  32  13.566   1.117  -9.493
  291   2HG   GLU  32          1HG       GLU  32  13.188   2.450  -8.400
  292    QB   GLU  32           QB       GLU  32  13.188   0.047  -7.213
  293    QG   GLU  32           QG       GLU  32  13.377   1.783  -8.947
  294    H    LYS  33           H        LYS  33   9.229   1.222  -6.376
  295    HA   LYS  33           HA       LYS  33   8.797  -1.554  -5.481
  296   1HB   LYS  33          2HB       LYS  33   9.571   0.589  -3.479
  297   2HB   LYS  33          1HB       LYS  33   8.828  -0.947  -3.036
  298   1HG   LYS  33          2HG       LYS  33  10.740  -2.096  -4.251
  299   2HG   LYS  33          1HG       LYS  33  11.513  -0.515  -4.362
  300   1HD   LYS  33          2HD       LYS  33  11.270  -0.330  -1.846
  301   2HD   LYS  33          1HD       LYS  33  10.777  -2.024  -1.844
  302   1HE   LYS  33          2HE       LYS  33  12.920  -2.695  -1.992
  303   2HE   LYS  33          1HE       LYS  33  13.166  -1.703  -3.429
  304   1HZ   LYS  33          1HZ       LYS  33  13.264  -0.691  -0.640
  305   2HZ   LYS  33          3HZ       LYS  33  14.626  -1.080  -1.573
  306   3HZ   LYS  33          2HZ       LYS  33  13.607   0.193  -2.049
  307    QB   LYS  33           QB       LYS  33   9.200  -0.179  -3.258
  308    QG   LYS  33           QG       LYS  33  11.127  -1.305  -4.306
  309    QD   LYS  33           QD       LYS  33  11.023  -1.177  -1.845
  310    QE   LYS  33           QE       LYS  33  13.043  -2.199  -2.710
  311    QZ   LYS  33           QZ       LYS  33  13.832  -0.526  -1.421
  312    H    ALA  34           H        ALA  34   6.698  -1.860  -4.614
  313    HA   ALA  34           HA       ALA  34   4.670  -0.069  -5.527
  314   1HB   ALA  34          2HB       ALA  34   4.809  -2.603  -4.089
  315   2HB   ALA  34          1HB       ALA  34   3.484  -1.585  -3.521
  316   3HB   ALA  34          3HB       ALA  34   3.591  -2.023  -5.226
  317    QB   ALA  34           QB       ALA  34   3.961  -2.070  -4.279
  318    H    TYR  35           H        TYR  35   3.425   1.444  -4.462
  319    HA   TYR  35           HA       TYR  35   3.745   1.955  -1.581
  320   1HB   TYR  35          2HB       TYR  35   4.623   4.175  -1.768
  321   2HB   TYR  35          1HB       TYR  35   5.667   3.174  -2.777
  322    HD1  TYR  35          1HD       TYR  35   4.437   2.789  -5.234
  323    HD2  TYR  35          2HD       TYR  35   4.162   6.253  -2.733
  324    HE1  TYR  35          1HE       TYR  35   3.848   4.156  -7.217
  325    HE2  TYR  35          2HE       TYR  35   3.581   7.634  -4.710
  326    HH   TYR  35           HH       TYR  35   2.938   6.179  -7.844
  327    QB   TYR  35           QB       TYR  35   5.145   3.674  -2.272
  328    QD   TYR  35           QD       TYR  35   4.300   4.521  -3.983
  329    QE   TYR  35           QE       TYR  35   3.714   5.895  -5.964
  330    QR   TYR  35           QR       TYR  35   4.007   5.208  -4.973
  331    H    VAL  36           H        VAL  36   2.077   3.548  -0.866
  332    HA   VAL  36           HA       VAL  36  -0.366   3.238  -2.363
  333    HB   VAL  36           HB       VAL  36  -0.301   3.554   0.112
  334   1HG1  VAL  36          1HG1      VAL  36   1.116   5.964  -0.707
  335   2HG1  VAL  36          3HG1      VAL  36  -0.233   6.332   0.366
  336   3HG1  VAL  36          2HG1      VAL  36   1.024   5.208   0.881
  337   1HG2  VAL  36          1HG2      VAL  36  -2.320   4.095  -1.342
  338   2HG2  VAL  36          3HG2      VAL  36  -2.279   4.912   0.220
  339   3HG2  VAL  36          2HG2      VAL  36  -1.833   5.786  -1.244
  340    QG1  VAL  36           QG1      VAL  36   0.636   5.834   0.180
  341    QG2  VAL  36           QG2      VAL  36  -2.144   4.931  -0.789
  342    QQG  VAL  36           QQG      VAL  36  -0.754   5.383  -0.304
  343    H    LYS  37           H        LYS  37   0.785   4.082  -4.391
  344    HA   LYS  37           HA       LYS  37   1.524   6.732  -4.852
  345   1HB   LYS  37          2HB       LYS  37   1.029   6.351  -7.177
  346   2HB   LYS  37          1HB       LYS  37   1.603   4.823  -6.508
  347   1HG   LYS  37          2HG       LYS  37  -0.306   3.864  -7.219
  348   2HG   LYS  37          1HG       LYS  37  -1.177   4.853  -6.045
  349   1HD   LYS  37          2HD       LYS  37  -2.097   5.200  -8.296
  350   2HD   LYS  37          1HD       LYS  37  -1.331   6.679  -7.712
  351   1HE   LYS  37          2HE       LYS  37   0.655   5.082  -9.023
  352   2HE   LYS  37          1HE       LYS  37  -0.740   5.231 -10.091
  353   1HZ   LYS  37          1HZ       LYS  37  -0.243   7.711  -8.865
  354   2HZ   LYS  37          3HZ       LYS  37   1.205   7.146  -9.543
  355   3HZ   LYS  37          2HZ       LYS  37  -0.179   7.313 -10.515
  356    QB   LYS  37           QB       LYS  37   1.316   5.587  -6.843
  357    QG   LYS  37           QG       LYS  37  -0.741   4.359  -6.632
  358    QD   LYS  37           QD       LYS  37  -1.714   5.940  -8.004
  359    QE   LYS  37           QE       LYS  37  -0.043   5.156  -9.557
  360    QZ   LYS  37           QZ       LYS  37   0.261   7.390  -9.641
  361    H    ASP  38           H        ASP  38  -1.620   5.542  -4.094
  362    HA   ASP  38           HA       ASP  38  -2.643   8.255  -4.007
  363   1HB   ASP  38          2HB       ASP  38  -2.866   7.960  -6.379
  364   2HB   ASP  38          1HB       ASP  38  -3.554   6.351  -6.173
  365    QB   ASP  38           QB       ASP  38  -3.210   7.155  -6.276
  366    H    VAL  39           H        VAL  39  -3.342   7.846  -1.926
  367    HA   VAL  39           HA       VAL  39  -4.435   5.521  -0.855
  368    HB   VAL  39           HB       VAL  39  -5.453   6.906   0.848
  369   1HG1  VAL  39          1HG1      VAL  39  -2.786   7.087   0.069
  370   2HG1  VAL  39          3HG1      VAL  39  -3.268   8.765   0.316
  371   3HG1  VAL  39          2HG1      VAL  39  -3.449   7.594   1.622
  372   1HG2  VAL  39          3HG2      VAL  39  -6.512   8.461  -0.902
  373   2HG2  VAL  39          2HG2      VAL  39  -5.917   9.230   0.569
  374   3HG2  VAL  39          1HG2      VAL  39  -4.969   9.316  -0.915
  375    QG1  VAL  39           QG1      VAL  39  -3.168   7.815   0.669
  376    QG2  VAL  39           QG2      VAL  39  -5.800   9.002  -0.416
  377    QQG  VAL  39           QQG      VAL  39  -4.484   8.409   0.126
  378    H    GLU  40           H        GLU  40  -5.981   7.855  -2.978
  379    HA   GLU  40           HA       GLU  40  -8.639   6.667  -2.571
  380   1HB   GLU  40          2HB       GLU  40  -7.520   9.006  -3.992
  381   2HB   GLU  40          1HB       GLU  40  -8.892   8.239  -4.793
  382   1HG   GLU  40          2HG       GLU  40 -10.286   8.505  -2.864
  383   2HG   GLU  40          1HG       GLU  40  -8.914   8.965  -1.856
  384    QB   GLU  40           QB       GLU  40  -8.206   8.622  -4.393
  385    QG   GLU  40           QG       GLU  40  -9.600   8.735  -2.360
  386    H    GLY  41           H        GLY  41  -5.909   5.791  -4.286
  387   1HA   GLY  41          2HA       GLY  41  -7.054   4.915  -6.777
  388   2HA   GLY  41          1HA       GLY  41  -5.547   4.318  -6.080
  389    QA   GLY  41           QA       GLY  41  -6.301   4.617  -6.428
  390    H    ALA  42           H        ALA  42  -6.829   3.474  -3.569
  391    HA   ALA  42           HA       ALA  42  -8.491   1.206  -4.585
  392   1HB   ALA  42          3HB       ALA  42  -6.127   0.516  -4.053
  393   2HB   ALA  42          2HB       ALA  42  -6.413   1.017  -2.387
  394   3HB   ALA  42          1HB       ALA  42  -7.344  -0.310  -3.080
  395    QB   ALA  42           QB       ALA  42  -6.628   0.408  -3.173
  396    H    SER  43           H        SER  43  -9.845   0.231  -2.824
  397    HA   SER  43           HA       SER  43 -10.927   2.389  -1.124
  398   1HB   SER  43          2HB       SER  43 -12.348   0.009  -0.639
  399   2HB   SER  43          1HB       SER  43 -12.845   1.346  -1.674
  400    HG   SER  43           HG       SER  43 -12.585  -0.915  -2.580
  401    QB   SER  43           QB       SER  43 -12.597   0.677  -1.157
  402    H    GLN  44           H        GLN  44 -11.611   1.640   1.174
  403    HA   GLN  44           HA       GLN  44  -9.222   0.895   2.602
  404   1HB   GLN  44          2HB       GLN  44 -10.689   0.917   4.601
  405   2HB   GLN  44          1HB       GLN  44 -10.923   2.357   3.609
  406   1HG   GLN  44          2HG       GLN  44 -12.850   1.119   2.490
  407   2HG   GLN  44          1HG       GLN  44 -12.700  -0.087   3.769
  408   1HE2  GLN  44          2HE2      GLN  44 -14.237   1.942   6.225
  409   2HE2  GLN  44          1HE2      GLN  44 -13.463   0.470   5.885
  410    QB   GLN  44           QB       GLN  44 -10.806   1.637   4.105
  411    QG   GLN  44           QG       GLN  44 -12.775   0.516   3.129
  412    QE2  GLN  44           QE2      GLN  44 -13.850   1.206   6.055
  413    H    GLU  45           H        GLU  45 -12.107  -0.866   1.566
  414    HA   GLU  45           HA       GLU  45 -11.500  -3.262   3.086
  415   1HB   GLU  45          2HB       GLU  45 -13.200  -2.923   0.594
  416   2HB   GLU  45          1HB       GLU  45 -13.208  -4.324   1.664
  417   1HG   GLU  45          2HG       GLU  45 -13.619  -1.707   2.990
  418   2HG   GLU  45          1HG       GLU  45 -14.923  -2.234   1.925
  419    QB   GLU  45           QB       GLU  45 -13.204  -3.624   1.129
  420    QG   GLU  45           QG       GLU  45 -14.271  -1.971   2.457
  421    H    GLU  46           H        GLU  46 -10.431  -1.930   0.067
  422    HA   GLU  46           HA       GLU  46  -9.299  -4.503  -0.871
  423   1HB   GLU  46          2HB       GLU  46  -8.919  -1.690  -1.962
  424   2HB   GLU  46          1HB       GLU  46  -8.504  -3.195  -2.776
  425   1HG   GLU  46          2HG       GLU  46 -10.954  -3.832  -2.619
  426   2HG   GLU  46          1HG       GLU  46 -11.263  -2.181  -2.076
  427    QB   GLU  46           QB       GLU  46  -8.712  -2.442  -2.369
  428    QG   GLU  46           QG       GLU  46 -11.109  -3.007  -2.348
  429    H    VAL  47           H        VAL  47  -8.443  -1.393   0.392
  430    HA   VAL  47           HA       VAL  47  -5.608  -1.744   0.499
  431    HB   VAL  47           HB       VAL  47  -7.553  -0.043   2.079
  432   1HG1  VAL  47          3HG1      VAL  47  -4.550  -0.252   2.254
  433   2HG1  VAL  47          2HG1      VAL  47  -5.449   1.153   2.827
  434   3HG1  VAL  47          1HG1      VAL  47  -5.725  -0.428   3.557
  435   1HG2  VAL  47          2HG2      VAL  47  -6.287   0.181  -0.474
  436   2HG2  VAL  47          1HG2      VAL  47  -7.325   1.359   0.330
  437   3HG2  VAL  47          3HG2      VAL  47  -5.581   1.401   0.586
  438    QG1  VAL  47           QG1      VAL  47  -5.242   0.158   2.880
  439    QG2  VAL  47           QG2      VAL  47  -6.397   0.981   0.147
  440    QQG  VAL  47           QQG      VAL  47  -5.820   0.569   1.513
  441    H    GLU  48           H        GLU  48  -8.307  -2.766   2.495
  442    HA   GLU  48           HA       GLU  48  -6.841  -3.527   4.821
  443   1HB   GLU  48          2HB       GLU  48  -9.519  -3.536   3.795
  444   2HB   GLU  48          1HB       GLU  48  -9.147  -5.121   4.429
  445   1HG   GLU  48          2HG       GLU  48  -8.072  -3.502   6.353
  446   2HG   GLU  48          1HG       GLU  48  -9.472  -2.566   5.835
  447    QB   GLU  48           QB       GLU  48  -9.333  -4.328   4.112
  448    QG   GLU  48           QG       GLU  48  -8.772  -3.034   6.094
  449    H    GLU  49           H        GLU  49  -8.419  -5.596   2.346
  450    HA   GLU  49           HA       GLU  49  -7.108  -7.991   3.032
  451   1HB   GLU  49          2HB       GLU  49  -8.189  -6.953   0.414
  452   2HB   GLU  49          1HB       GLU  49  -7.412  -8.534   0.511
  453   1HG   GLU  49          2HG       GLU  49  -9.013  -8.953   2.516
  454   2HG   GLU  49          1HG       GLU  49  -9.929  -7.590   1.870
  455    QB   GLU  49           QB       GLU  49  -7.800  -7.743   0.462
  456    QG   GLU  49           QG       GLU  49  -9.471  -8.272   2.193
  457    H    ALA  50           H        ALA  50  -6.037  -5.360   0.903
  458    HA   ALA  50           HA       ALA  50  -3.645  -6.630  -0.025
  459   1HB   ALA  50          1HB       ALA  50  -4.701  -4.478  -0.915
  460   2HB   ALA  50          3HB       ALA  50  -3.977  -3.661   0.470
  461   3HB   ALA  50          2HB       ALA  50  -2.947  -4.446  -0.727
  462    QB   ALA  50           QB       ALA  50  -3.875  -4.195  -0.391
  463    H    MET  51           H        MET  51  -4.503  -5.046   2.965
  464    HA   MET  51           HA       MET  51  -1.786  -4.680   3.915
  465   1HB   MET  51          2HB       MET  51  -4.231  -3.776   4.743
  466   2HB   MET  51          1HB       MET  51  -3.928  -5.055   5.918
  467   1HG   MET  51          2HG       MET  51  -1.783  -4.068   6.510
  468   2HG   MET  51          1HG       MET  51  -1.959  -2.854   5.243
  469   1HE   MET  51          2HE       MET  51  -3.185  -1.108   5.094
  470   2HE   MET  51          1HE       MET  51  -4.134  -0.261   6.313
  471   3HE   MET  51          3HE       MET  51  -2.373  -0.336   6.453
  472    QB   MET  51           QB       MET  51  -4.079  -4.415   5.331
  473    QG   MET  51           QG       MET  51  -1.871  -3.461   5.876
  474    QE   MET  51           QE       MET  51  -3.231  -0.568   5.953
  475    H    ASP  52           H        ASP  52  -4.309  -7.147   4.382
  476    HA   ASP  52           HA       ASP  52  -2.948  -8.805   6.222
  477   1HB   ASP  52          2HB       ASP  52  -5.338  -9.060   5.349
  478   2HB   ASP  52          1HB       ASP  52  -4.636  -9.829   3.926
  479    QB   ASP  52           QB       ASP  52  -4.987  -9.444   4.637
  480    H    THR  53           H        THR  53  -2.777  -8.701   2.667
  481    HA   THR  53           HA       THR  53  -1.013 -10.907   2.317
  482    HB   THR  53           HB       THR  53  -0.413  -8.800   0.439
  483    HG1  THR  53          1HG       THR  53  -2.254  -7.779   0.724
  484   1HG2  THR  53          3HG2      THR  53  -1.797 -11.469   0.425
  485   2HG2  THR  53          2HG2      THR  53  -1.812 -10.457  -1.019
  486   3HG2  THR  53          1HG2      THR  53  -0.279 -11.003  -0.340
  487    QG2  THR  53           QG2      THR  53  -1.296 -10.976  -0.312
  488    H    CYS  54           H        CYS  54   1.226  -9.757   0.974
  489    HA   CYS  54           HA       CYS  54   3.367  -8.895   1.424
  490   1HB   CYS  54          1HB       CYS  54   1.712  -6.945   2.309
  491   2HB   CYS  54          2HB       CYS  54   2.425  -7.439   3.837
  492    QB   CYS  54           QB       CYS  54   2.069  -7.192   3.073
  493    HA   PRO  55           HA       PRO  55   4.702 -11.704   4.528
  494   1HB   PRO  55          2HB       PRO  55   7.326 -11.005   4.661
  495   2HB   PRO  55          1HB       PRO  55   6.645 -11.934   3.326
  496   1HG   PRO  55          2HG       PRO  55   7.332  -9.033   3.440
  497   2HG   PRO  55          1HG       PRO  55   7.465 -10.164   2.084
  498   1HD   PRO  55          2HD       PRO  55   5.447  -8.314   2.359
  499   2HD   PRO  55          1HD       PRO  55   5.309  -9.812   1.416
  500    QB   PRO  55           QB       PRO  55   6.986 -11.469   3.993
  501    QG   PRO  55           QG       PRO  55   7.399  -9.599   2.762
  502    QD   PRO  55           QD       PRO  55   5.378  -9.063   1.888
  503    H    VAL  56           H        VAL  56   6.352  -8.543   4.941
  504    HA   VAL  56           HA       VAL  56   5.714  -8.695   7.849
  505    HB   VAL  56           HB       VAL  56   7.606  -6.766   6.477
  506   1HG1  VAL  56          1HG1      VAL  56   6.797  -7.396   9.253
  507   2HG1  VAL  56          3HG1      VAL  56   8.534  -7.228   9.003
  508   3HG1  VAL  56          2HG1      VAL  56   7.450  -5.902   8.583
  509   1HG2  VAL  56          3HG2      VAL  56   8.076  -9.323   6.199
  510   2HG2  VAL  56          2HG2      VAL  56   9.379  -8.283   6.772
  511   3HG2  VAL  56          1HG2      VAL  56   8.469  -9.268   7.917
  512    QG1  VAL  56           QG1      VAL  56   7.593  -6.842   8.946
  513    QG2  VAL  56           QG2      VAL  56   8.641  -8.958   6.962
  514    QQG  VAL  56           QQG      VAL  56   8.117  -7.900   7.954
  515    H    GLN  57           H        GLN  57   4.098  -7.719   5.344
  516    HA   GLN  57           HA       GLN  57   2.444  -6.104   4.995
  517   1HB   GLN  57          2HB       GLN  57   2.810  -6.220   7.861
  518   2HB   GLN  57          1HB       GLN  57   2.396  -4.584   7.344
  519   1HG   GLN  57          2HG       GLN  57   0.343  -5.220   6.487
  520   2HG   GLN  57          1HG       GLN  57   0.886  -6.860   6.133
  521   1HE2  GLN  57          2HE2      GLN  57  -0.901  -6.088   9.674
  522   2HE2  GLN  57          1HE2      GLN  57  -0.765  -4.908   8.461
  523    QB   GLN  57           QB       GLN  57   2.603  -5.402   7.603
  524    QG   GLN  57           QG       GLN  57   0.615  -6.040   6.310
  525    QE2  GLN  57           QE2      GLN  57  -0.833  -5.498   9.068
  526    H    CYS  58           H        CYS  58   4.606  -4.294   7.206
  527    HA   CYS  58           HA       CYS  58   5.861  -2.340   6.767
  528   1HB   CYS  58          2HB       CYS  58   5.658  -2.779   3.817
  529   2HB   CYS  58          1HB       CYS  58   7.045  -2.287   4.784
  530    HG   CYS  58           HG       CYS  58   7.718  -4.666   4.983
  531    QB   CYS  58           QB       CYS  58   6.352  -2.533   4.300
  532    H    ILE  59           H        ILE  59   2.753  -2.720   6.278
  533    HA   ILE  59           HA       ILE  59   2.352  -0.065   4.960
  534    HB   ILE  59           HB       ILE  59   1.401  -1.892   3.625
  535   1HG1  ILE  59          2HG1      ILE  59  -0.911  -0.609   5.091
  536   2HG1  ILE  59          1HG1      ILE  59   0.147   0.337   4.043
  537   1HG2  ILE  59          1HG2      ILE  59   1.193  -3.478   5.558
  538   2HG2  ILE  59          3HG2      ILE  59  -0.219  -2.567   6.098
  539   3HG2  ILE  59          2HG2      ILE  59  -0.251  -3.409   4.548
  540   1HD1  ILE  59          2HD1      ILE  59  -1.189  -2.211   3.112
  541   2HD1  ILE  59          1HD1      ILE  59  -1.953  -0.630   2.944
  542   3HD1  ILE  59          3HD1      ILE  59  -0.427  -0.963   2.125
  543    QG1  ILE  59           QG1      ILE  59  -0.382  -0.136   4.567
  544    QG2  ILE  59           QG2      ILE  59   0.241  -3.151   5.401
  545    QD1  ILE  59           QD1      ILE  59  -1.190  -1.268   2.727
  546    H    HIS  60           H        HIS  60   0.724   1.311   5.926
  547    HA   HIS  60           HA       HIS  60  -0.528   0.431   8.437
  548   1HB   HIS  60          2HB       HIS  60   1.309   2.827   8.551
  549   2HB   HIS  60          1HB       HIS  60   0.569   1.952   9.893
  550    HD1  HIS  60          1HD       HIS  60   3.454   1.853   7.528
  551    HD2  HIS  60          2HD       HIS  60   1.811  -0.576  10.492
  552    HE1  HIS  60          1HE       HIS  60   5.183   0.071   8.036
  553    QB   HIS  60           QB       HIS  60   0.939   2.389   9.222
  554    H    TRP  61           H        TRP  61  -1.820   2.336   9.397
  555    HA   TRP  61           HA       TRP  61  -3.120   3.744   7.137
  556   1HB   TRP  61          2HB       TRP  61  -3.953   3.491  10.039
  557   2HB   TRP  61          1HB       TRP  61  -4.902   4.242   8.766
  558    HD1  TRP  61           HD       TRP  61  -3.368   0.797   9.639
  559    HE1  TRP  61          1HE       TRP  61  -4.867  -1.016   8.577
  560    HE3  TRP  61          3HE       TRP  61  -6.640   3.757   7.133
  561    HZ2  TRP  61          2HZ       TRP  61  -7.165  -1.176   6.862
  562    HZ3  TRP  61          3HZ       TRP  61  -8.481   2.771   5.784
  563    HH2  TRP  61           HH       TRP  61  -8.745   0.308   5.648
  564    QB   TRP  61           QB       TRP  61  -4.428   3.867   9.403
  565    H    GLU  62           H        GLU  62  -3.951   6.049   7.829
  566    HA   GLU  62           HA       GLU  62  -1.821   7.484   9.342
  567   1HB   GLU  62          2HB       GLU  62  -1.106   7.838   7.110
  568   2HB   GLU  62          1HB       GLU  62  -2.757   8.008   6.516
  569   1HG   GLU  62          2HG       GLU  62  -2.928  10.195   7.213
  570   2HG   GLU  62          1HG       GLU  62  -1.858   9.948   8.594
  571    QB   GLU  62           QB       GLU  62  -1.931   7.923   6.813
  572    QG   GLU  62           QG       GLU  62  -2.393  10.072   7.904
  573    H    ASP  63           H        ASP  63  -3.362   7.754  11.040
  574    HA   ASP  63           HA       ASP  63  -6.021   8.660  10.782
  575   1HB   ASP  63          2HB       ASP  63  -5.805   9.448  13.102
  576   2HB   ASP  63          1HB       ASP  63  -5.030   7.874  12.913
  577    QB   ASP  63           QB       ASP  63  -5.417   8.661  13.008
  578    H    GLU  64           H        GLU  64  -6.917  10.818  11.037
  579    HA   GLU  64           HA       GLU  64  -7.049  13.027  10.219
  580   1HB   GLU  64          2HB       GLU  64  -5.551  12.923  12.491
  581   2HB   GLU  64          1HB       GLU  64  -4.406  13.683  11.385
  582   1HG   GLU  64          2HG       GLU  64  -7.252  14.626  11.849
  583   2HG   GLU  64          1HG       GLU  64  -5.815  15.359  12.565
  584    QB   GLU  64           QB       GLU  64  -4.979  13.303  11.938
  585    QG   GLU  64           QG       GLU  64  -6.534  14.992  12.207
   
  No H/Q in entry =         585
  Start of MODEL    2
    1    HA   ALA   1           HA       ALA   1  -7.505  11.392  10.766
    2   1HB   ALA   1          2HB       ALA   1  -8.874  13.506   9.756
    3   2HB   ALA   1          1HB       ALA   1  -9.985  12.199   9.352
    4   3HB   ALA   1          3HB       ALA   1  -9.509  12.464  11.029
    5    QB   ALA   1           QB       ALA   1  -9.456  12.723  10.046
    6    H    ARG   2           H        ARG   2  -7.133   9.202  10.312
    7    HA   ARG   2           HA       ARG   2  -7.941   7.028   9.874
    8   1HB   ARG   2          2HB       ARG   2 -10.248   8.322   9.979
    9   2HB   ARG   2          1HB       ARG   2 -10.206   8.097   8.230
   10   1HG   ARG   2          2HG       ARG   2 -11.345   6.184   9.079
   11   2HG   ARG   2          1HG       ARG   2  -9.712   5.629   8.712
   12   1HD   ARG   2          2HD       ARG   2 -10.441   4.820  10.929
   13   2HD   ARG   2          1HD       ARG   2  -9.071   5.921  11.074
   14    HE   ARG   2           HE       ARG   2 -10.480   7.423  12.226
   15   1HH1  ARG   2          1HH1      ARG   2 -12.563   7.398   9.970
   16   2HH1  ARG   2          2HH1      ARG   2 -13.967   6.867  10.836
   17   1HH2  ARG   2          1HH2      ARG   2 -12.177   5.726  13.576
   18   2HH2  ARG   2          2HH2      ARG   2 -13.748   5.917  12.874
   19    QB   ARG   2           QB       ARG   2 -10.227   8.210   9.104
   20    QG   ARG   2           QG       ARG   2 -10.529   5.906   8.896
   21    QD   ARG   2           QD       ARG   2  -9.756   5.371  11.002
   22    QH1  ARG   2           QH1      ARG   2 -13.265   7.132  10.403
   23    QH2  ARG   2           QH2      ARG   2 -12.962   5.822  13.225
   24    H    LYS   3           H        LYS   3  -6.046   8.432   8.225
   25    HA   LYS   3           HA       LYS   3  -6.762   7.559   5.470
   26   1HB   LYS   3          2HB       LYS   3  -5.433   9.812   6.420
   27   2HB   LYS   3          1HB       LYS   3  -4.136   8.791   5.805
   28   1HG   LYS   3          2HG       LYS   3  -4.908  10.141   3.966
   29   2HG   LYS   3          1HG       LYS   3  -5.485   8.497   3.690
   30   1HD   LYS   3          2HD       LYS   3  -7.685   9.063   4.529
   31   2HD   LYS   3          1HD       LYS   3  -7.132  10.663   5.021
   32   1HE   LYS   3          2HE       LYS   3  -6.547  11.090   2.588
   33   2HE   LYS   3          1HE       LYS   3  -7.406   9.600   2.201
   34   1HZ   LYS   3          3HZ       LYS   3  -8.718  11.645   3.854
   35   2HZ   LYS   3          2HZ       LYS   3  -8.654  11.851   2.168
   36   3HZ   LYS   3          1HZ       LYS   3  -9.412  10.483   2.831
   37    QB   LYS   3           QB       LYS   3  -4.785   9.301   6.112
   38    QG   LYS   3           QG       LYS   3  -5.197   9.319   3.828
   39    QD   LYS   3           QD       LYS   3  -7.409   9.863   4.775
   40    QE   LYS   3           QE       LYS   3  -6.976  10.345   2.394
   41    QZ   LYS   3           QZ       LYS   3  -8.928  11.327   2.951
   42    H    PHE   4           H        PHE   4  -3.962   7.200   4.698
   43    HA   PHE   4           HA       PHE   4  -2.572   5.326   6.271
   44   1HB   PHE   4          2HB       PHE   4  -3.238   3.194   5.220
   45   2HB   PHE   4          1HB       PHE   4  -4.614   3.938   6.029
   46    HD1  PHE   4          1HD       PHE   4  -3.160   2.980   2.814
   47    HD2  PHE   4          2HD       PHE   4  -6.370   5.103   4.721
   48    HE1  PHE   4          1HE       PHE   4  -4.419   2.998   0.676
   49    HE2  PHE   4          2HE       PHE   4  -7.628   5.122   2.585
   50    HZ   PHE   4           HZ       PHE   4  -6.653   4.069   0.563
   51    QB   PHE   4           QB       PHE   4  -3.926   3.566   5.624
   52    QD   PHE   4           QD       PHE   4  -4.765   4.042   3.768
   53    QE   PHE   4           QE       PHE   4  -6.024   4.060   1.631
   54    QR   PHE   4           QR       PHE   4  -5.646   4.054   2.272
   55    H    TYR   5           H        TYR   5  -1.144   3.868   4.705
   56    HA   TYR   5           HA       TYR   5  -0.756   4.549   2.002
   57   1HB   TYR   5          2HB       TYR   5   1.130   6.129   2.130
   58   2HB   TYR   5          1HB       TYR   5  -0.290   6.837   2.900
   59    HD1  TYR   5          1HD       TYR   5   3.136   5.870   3.326
   60    HD2  TYR   5          2HD       TYR   5  -0.529   6.564   5.454
   61    HE1  TYR   5          1HE       TYR   5   4.409   6.110   5.440
   62    HE2  TYR   5          2HE       TYR   5   0.744   6.802   7.570
   63    HH   TYR   5           HH       TYR   5   3.409   5.740   8.237
   64    QB   TYR   5           QB       TYR   5   0.420   6.483   2.515
   65    QD   TYR   5           QD       TYR   5   1.304   6.217   4.390
   66    QE   TYR   5           QE       TYR   5   2.577   6.456   6.505
   67    QR   TYR   5           QR       TYR   5   1.940   6.336   5.447
   68    H    VAL   6           H        VAL   6   2.174   4.503   2.058
   69    HA   VAL   6           HA       VAL   6   2.704   2.106   3.714
   70    HB   VAL   6           HB       VAL   6   3.770   1.872   0.985
   71   1HG1  VAL   6          3HG1      VAL   6   3.447   0.326   3.236
   72   2HG1  VAL   6          2HG1      VAL   6   2.148  -0.256   2.197
   73   3HG1  VAL   6          1HG1      VAL   6   3.815  -0.295   1.628
   74   1HG2  VAL   6          1HG2      VAL   6   1.137   2.687   1.012
   75   2HG2  VAL   6          3HG2      VAL   6   1.826   1.623  -0.205
   76   3HG2  VAL   6          2HG2      VAL   6   0.951   0.945   1.164
   77    QG1  VAL   6           QG1      VAL   6   3.137  -0.075   2.354
   78    QG2  VAL   6           QG2      VAL   6   1.305   1.752   0.657
   79    QQG  VAL   6           QQG      VAL   6   2.221   0.839   1.505
   80    H    ASP   7           H        ASP   7   5.042   1.346   2.817
   81    HA   ASP   7           HA       ASP   7   6.797   3.641   2.455
   82   1HB   ASP   7          2HB       ASP   7   6.346   2.706   5.018
   83   2HB   ASP   7          1HB       ASP   7   7.830   1.888   4.544
   84    QB   ASP   7           QB       ASP   7   7.088   2.297   4.781
   85    H    GLN   8           H        GLN   8   7.398   2.839   0.556
   86    HA   GLN   8           HA       GLN   8   7.995   0.099  -0.010
   87   1HB   GLN   8          2HB       GLN   8   8.833   2.674  -1.328
   88   2HB   GLN   8          1HB       GLN   8   9.316   1.088  -1.921
   89   1HG   GLN   8          2HG       GLN   8   7.304   1.774  -3.101
   90   2HG   GLN   8          1HG       GLN   8   6.905   0.443  -2.015
   91   1HE2  GLN   8          2HE2      GLN   8   5.696   4.222  -0.898
   92   2HE2  GLN   8          1HE2      GLN   8   7.135   4.046  -1.780
   93    QB   GLN   8           QB       GLN   8   9.075   1.881  -1.624
   94    QG   GLN   8           QG       GLN   8   7.104   1.108  -2.558
   95    QE2  GLN   8           QE2      GLN   8   6.416   4.134  -1.339
   96    H    ASP   9           H        ASP   9   9.332   0.817   2.397
   97    HA   ASP   9           HA       ASP   9  12.202   0.893   1.636
   98   1HB   ASP   9          2HB       ASP   9  10.787   2.056   3.757
   99   2HB   ASP   9          1HB       ASP   9  11.641   0.696   4.489
  100    QB   ASP   9           QB       ASP   9  11.214   1.376   4.123
  101    H    GLU  10           H        GLU  10   9.682  -1.206   2.624
  102    HA   GLU  10           HA       GLU  10  11.673  -3.343   3.233
  103   1HB   GLU  10          2HB       GLU  10   9.323  -2.477   4.635
  104   2HB   GLU  10          1HB       GLU  10   9.059  -4.120   4.050
  105   1HG   GLU  10          2HG       GLU  10  11.525  -4.487   4.953
  106   2HG   GLU  10          1HG       GLU  10  11.119  -3.101   5.968
  107    QB   GLU  10           QB       GLU  10   9.191  -3.299   4.342
  108    QG   GLU  10           QG       GLU  10  11.322  -3.794   5.460
  109    H    CYS  11           H        CYS  11   9.409  -2.244   0.966
  110    HA   CYS  11           HA       CYS  11   8.224  -4.677   0.084
  111   1HB   CYS  11          1HB       CYS  11   7.438  -2.499  -0.735
  112   2HB   CYS  11          2HB       CYS  11   8.977  -2.231  -1.553
  113    QB   CYS  11           QB       CYS  11   8.207  -2.365  -1.144
  114    H    ILE  12           H        ILE  12   9.064  -6.396  -0.979
  115    HA   ILE  12           HA       ILE  12  11.918  -6.296  -1.748
  116    HB   ILE  12           HB       ILE  12  11.785  -8.704  -1.885
  117   1HG1  ILE  12          2HG1      ILE  12   8.787  -8.286  -1.645
  118   2HG1  ILE  12          1HG1      ILE  12   9.650  -8.906  -3.053
  119   1HG2  ILE  12          3HG2      ILE  12  11.757  -7.562   0.393
  120   2HG2  ILE  12          2HG2      ILE  12  10.026  -7.892   0.439
  121   3HG2  ILE  12          1HG2      ILE  12  11.175  -9.226   0.373
  122   1HD1  ILE  12          3HD1      ILE  12  10.502 -10.782  -1.566
  123   2HD1  ILE  12          2HD1      ILE  12   9.360 -10.225  -0.345
  124   3HD1  ILE  12          1HD1      ILE  12   8.770 -10.816  -1.897
  125    QG1  ILE  12           QG1      ILE  12   9.219  -8.596  -2.349
  126    QG2  ILE  12           QG2      ILE  12  10.986  -8.227   0.402
  127    QD1  ILE  12           QD1      ILE  12   9.544 -10.608  -1.269
  128    H    ALA  13           H        ALA  13   8.751  -7.051  -3.225
  129    HA   ALA  13           HA       ALA  13   9.143  -5.800  -5.662
  130   1HB   ALA  13          1HB       ALA  13  10.887  -8.089  -5.408
  131   2HB   ALA  13          3HB       ALA  13   9.751  -8.338  -6.733
  132   3HB   ALA  13          2HB       ALA  13  10.789  -6.912  -6.717
  133    QB   ALA  13           QB       ALA  13  10.476  -7.780  -6.286
  134    H    CYS  14           H        CYS  14   7.948  -8.703  -4.051
  135    HA   CYS  14           HA       CYS  14   6.110  -9.655  -5.927
  136   1HB   CYS  14          1HB       CYS  14   5.413 -10.935  -4.210
  137   2HB   CYS  14          2HB       CYS  14   6.548 -10.054  -3.191
  138    QB   CYS  14           QB       CYS  14   5.981 -10.495  -3.700
  139    H    GLU  15           H        GLU  15   3.833  -9.190  -6.274
  140    HA   GLU  15           HA       GLU  15   3.161  -6.336  -5.680
  141   1HB   GLU  15          2HB       GLU  15   2.024  -7.924  -7.984
  142   2HB   GLU  15          1HB       GLU  15   2.073  -6.173  -7.780
  143   1HG   GLU  15          2HG       GLU  15   4.704  -7.561  -7.794
  144   2HG   GLU  15          1HG       GLU  15   3.835  -7.517  -9.328
  145    QB   GLU  15           QB       GLU  15   2.049  -7.048  -7.882
  146    QG   GLU  15           QG       GLU  15   4.269  -7.539  -8.561
  147    H    SER  16           H        SER  16   2.551  -9.032  -4.284
  148    HA   SER  16           HA       SER  16  -0.083  -9.849  -4.490
  149   1HB   SER  16          2HB       SER  16   1.894  -9.745  -2.351
  150   2HB   SER  16          1HB       SER  16   0.257  -9.562  -1.730
  151    HG   SER  16           HG       SER  16   0.158 -11.645  -1.982
  152    QB   SER  16           QB       SER  16   1.076  -9.654  -2.041
  153    H    CYS  17           H        CYS  17   1.079  -6.956  -2.749
  154    HA   CYS  17           HA       CYS  17  -1.530  -6.081  -1.919
  155   1HB   CYS  17          1HB       CYS  17  -0.464  -3.999  -1.359
  156   2HB   CYS  17          2HB       CYS  17   0.699  -5.275  -1.001
  157    QB   CYS  17           QB       CYS  17   0.118  -4.637  -1.180
  158    H    VAL  18           H        VAL  18   0.535  -5.167  -4.688
  159    HA   VAL  18           HA       VAL  18  -1.116  -3.234  -5.863
  160    HB   VAL  18           HB       VAL  18   0.398  -5.379  -7.384
  161   1HG1  VAL  18          3HG1      VAL  18  -0.768  -2.694  -8.031
  162   2HG1  VAL  18          2HG1      VAL  18   0.714  -3.192  -8.848
  163   3HG1  VAL  18          1HG1      VAL  18  -0.748  -4.168  -9.001
  164   1HG2  VAL  18          3HG2      VAL  18   1.319  -3.280  -5.584
  165   2HG2  VAL  18          2HG2      VAL  18   2.243  -4.565  -6.362
  166   3HG2  VAL  18          1HG2      VAL  18   1.946  -3.050  -7.217
  167    QG1  VAL  18           QG1      VAL  18  -0.267  -3.352  -8.626
  168    QG2  VAL  18           QG2      VAL  18   1.836  -3.632  -6.388
  169    QQG  VAL  18           QQG      VAL  18   0.784  -3.492  -7.507
  170    H    GLU  19           H        GLU  19  -1.380  -6.778  -6.036
  171    HA   GLU  19           HA       GLU  19  -3.575  -6.736  -7.914
  172   1HB   GLU  19          2HB       GLU  19  -2.193  -8.765  -6.258
  173   2HB   GLU  19          1HB       GLU  19  -3.890  -9.111  -6.595
  174   1HG   GLU  19          2HG       GLU  19  -1.796  -8.437  -8.686
  175   2HG   GLU  19          1HG       GLU  19  -2.405 -10.057  -8.341
  176    QB   GLU  19           QB       GLU  19  -3.041  -8.938  -6.426
  177    QG   GLU  19           QG       GLU  19  -2.101  -9.247  -8.513
  178    H    ILE  20           H        ILE  20  -3.335  -6.742  -4.396
  179    HA   ILE  20           HA       ILE  20  -6.221  -6.918  -4.054
  180    HB   ILE  20           HB       ILE  20  -3.906  -6.391  -2.247
  181   1HG1  ILE  20          2HG1      ILE  20  -5.345  -8.594  -3.183
  182   2HG1  ILE  20          1HG1      ILE  20  -4.002  -8.584  -2.085
  183   1HG2  ILE  20          2HG2      ILE  20  -6.848  -6.113  -1.623
  184   2HG2  ILE  20          1HG2      ILE  20  -5.645  -6.431  -0.374
  185   3HG2  ILE  20          3HG2      ILE  20  -5.568  -4.941  -1.313
  186   1HD1  ILE  20          2HD1      ILE  20  -6.858  -8.131  -1.193
  187   2HD1  ILE  20          1HD1      ILE  20  -6.092  -9.719  -1.195
  188   3HD1  ILE  20          3HD1      ILE  20  -5.454  -8.434  -0.168
  189    QG1  ILE  20           QG1      ILE  20  -4.673  -8.589  -2.634
  190    QG2  ILE  20           QG2      ILE  20  -6.020  -5.828  -1.103
  191    QD1  ILE  20           QD1      ILE  20  -6.135  -8.761  -0.852
  192    H    ALA  21           H        ALA  21  -4.406  -4.592  -5.420
  193    HA   ALA  21           HA       ALA  21  -6.369  -2.541  -5.186
  194   1HB   ALA  21          3HB       ALA  21  -4.203  -2.540  -3.147
  195   2HB   ALA  21          2HB       ALA  21  -4.557  -0.991  -3.913
  196   3HB   ALA  21          1HB       ALA  21  -5.830  -1.865  -3.060
  197    QB   ALA  21           QB       ALA  21  -4.863  -1.799  -3.373
  198    HA   PRO  22           HA       PRO  22  -3.023  -2.259  -8.406
  199   1HB   PRO  22          2HB       PRO  22  -4.678  -2.481 -10.554
  200   2HB   PRO  22          1HB       PRO  22  -3.943  -3.871  -9.755
  201   1HG   PRO  22          2HG       PRO  22  -6.715  -2.785  -9.464
  202   2HG   PRO  22          1HG       PRO  22  -6.176  -4.472  -9.519
  203   1HD   PRO  22          2HD       PRO  22  -6.831  -3.201  -7.202
  204   2HD   PRO  22          1HD       PRO  22  -5.634  -4.510  -7.288
  205    QB   PRO  22           QB       PRO  22  -4.310  -3.176 -10.155
  206    QG   PRO  22           QG       PRO  22  -6.445  -3.628  -9.492
  207    QD   PRO  22           QD       PRO  22  -6.232  -3.855  -7.245
  208    H    GLY  23           H        GLY  23  -5.701  -0.551  -7.319
  209   1HA   GLY  23          2HA       GLY  23  -5.319   1.652  -9.292
  210   2HA   GLY  23          1HA       GLY  23  -6.705   1.491  -8.213
  211    QA   GLY  23           QA       GLY  23  -6.012   1.571  -8.752
  212    H    ALA  24           H        ALA  24  -5.096   0.845  -5.863
  213    HA   ALA  24           HA       ALA  24  -4.186   3.602  -5.244
  214   1HB   ALA  24          1HB       ALA  24  -5.089   1.247  -3.616
  215   2HB   ALA  24          3HB       ALA  24  -4.074   2.476  -2.859
  216   3HB   ALA  24          2HB       ALA  24  -5.636   2.923  -3.549
  217    QB   ALA  24           QB       ALA  24  -4.933   2.215  -3.341
  218    H    PHE  25           H        PHE  25  -3.063   0.232  -4.797
  219    HA   PHE  25           HA       PHE  25  -0.344   1.174  -4.180
  220   1HB   PHE  25          2HB       PHE  25  -1.869  -1.184  -3.710
  221   2HB   PHE  25          1HB       PHE  25  -0.478  -1.649  -4.688
  222    HD1  PHE  25          1HD       PHE  25   1.823  -0.699  -3.951
  223    HD2  PHE  25          2HD       PHE  25  -1.607  -0.899  -1.384
  224    HE1  PHE  25          1HE       PHE  25   3.303  -0.585  -1.964
  225    HE2  PHE  25          2HE       PHE  25  -0.124  -0.770   0.604
  226    HZ   PHE  25           HZ       PHE  25   2.332  -0.620   0.301
  227    QB   PHE  25           QB       PHE  25  -1.173  -1.417  -4.199
  228    QD   PHE  25           QD       PHE  25   0.108  -0.799  -2.668
  229    QE   PHE  25           QE       PHE  25   1.589  -0.677  -0.680
  230    QR   PHE  25           QR       PHE  25   1.145  -0.714  -1.279
  231    H    ALA  26           H        ALA  26   1.354   1.194  -5.641
  232    HA   ALA  26           HA       ALA  26   1.284  -0.350  -8.116
  233   1HB   ALA  26          2HB       ALA  26  -0.086   2.025  -8.244
  234   2HB   ALA  26          1HB       ALA  26   1.525   2.513  -8.772
  235   3HB   ALA  26          3HB       ALA  26   0.666   1.230  -9.628
  236    QB   ALA  26           QB       ALA  26   0.702   1.923  -8.882
  237    H    MET  27           H        MET  27   3.376  -0.791  -8.622
  238    HA   MET  27           HA       MET  27   5.579   0.206  -7.118
  239   1HB   MET  27          2HB       MET  27   5.133  -1.722  -9.175
  240   2HB   MET  27          1HB       MET  27   6.488  -0.706  -9.667
  241   1HG   MET  27          2HG       MET  27   7.486  -1.074  -7.383
  242   2HG   MET  27          1HG       MET  27   6.212  -2.253  -7.079
  243   1HE   MET  27          3HE       MET  27   8.498  -3.316  -6.459
  244   2HE   MET  27          2HE       MET  27   9.402  -4.350  -7.560
  245   3HE   MET  27          1HE       MET  27   9.772  -2.630  -7.476
  246    QB   MET  27           QB       MET  27   5.810  -1.214  -9.421
  247    QG   MET  27           QG       MET  27   6.849  -1.664  -7.231
  248    QE   MET  27           QE       MET  27   9.224  -3.432  -7.165
  249    H    ASP  28           H        ASP  28   7.271   1.790  -7.698
  250    HA   ASP  28           HA       ASP  28   6.531   3.399 -10.115
  251   1HB   ASP  28          2HB       ASP  28   6.189   4.304  -7.562
  252   2HB   ASP  28          1HB       ASP  28   7.848   4.809  -7.866
  253    QB   ASP  28           QB       ASP  28   7.018   4.556  -7.714
  254    HA   PRO  29           HA       PRO  29  10.795   2.788 -10.963
  255   1HB   PRO  29          2HB       PRO  29  11.323   4.874 -12.621
  256   2HB   PRO  29          1HB       PRO  29  10.329   3.499 -13.098
  257   1HG   PRO  29          2HG       PRO  29   9.505   6.252 -12.452
  258   2HG   PRO  29          1HG       PRO  29   8.664   5.026 -13.410
  259   1HD   PRO  29          2HD       PRO  29   8.140   5.790 -10.715
  260   2HD   PRO  29          1HD       PRO  29   7.360   4.499 -11.640
  261    QB   PRO  29           QB       PRO  29  10.826   4.186 -12.860
  262    QG   PRO  29           QG       PRO  29   9.085   5.639 -12.931
  263    QD   PRO  29           QD       PRO  29   7.750   5.144 -11.177
  264    H    GLU  30           H        GLU  30   9.681   5.689  -9.519
  265    HA   GLU  30           HA       GLU  30  12.401   6.642  -8.819
  266   1HB   GLU  30          2HB       GLU  30  10.120   8.042  -9.273
  267   2HB   GLU  30          1HB       GLU  30   9.991   7.827  -7.527
  268   1HG   GLU  30          2HG       GLU  30  12.047   8.931  -7.121
  269   2HG   GLU  30          1HG       GLU  30  12.551   8.789  -8.806
  270    QB   GLU  30           QB       GLU  30  10.056   7.935  -8.400
  271    QG   GLU  30           QG       GLU  30  12.299   8.860  -7.963
  272    H    ILE  31           H        ILE  31   9.593   5.049  -7.517
  273    HA   ILE  31           HA       ILE  31  10.960   4.671  -4.929
  274    HB   ILE  31           HB       ILE  31   8.924   4.433  -3.892
  275   1HG1  ILE  31          2HG1      ILE  31   7.918   3.398  -6.555
  276   2HG1  ILE  31          1HG1      ILE  31   8.088   2.512  -5.038
  277   1HG2  ILE  31          2HG2      ILE  31   9.138   6.611  -5.344
  278   2HG2  ILE  31          1HG2      ILE  31   7.824   5.890  -6.273
  279   3HG2  ILE  31          3HG2      ILE  31   7.606   6.232  -4.557
  280   1HD1  ILE  31          2HD1      ILE  31   6.428   4.236  -4.064
  281   2HD1  ILE  31          1HD1      ILE  31   6.070   4.643  -5.741
  282   3HD1  ILE  31          3HD1      ILE  31   5.775   3.011  -5.148
  283    QG1  ILE  31           QG1      ILE  31   8.003   2.955  -5.797
  284    QG2  ILE  31           QG2      ILE  31   8.189   6.244  -5.391
  285    QD1  ILE  31           QD1      ILE  31   6.091   3.963  -4.985
  286    H    GLU  32           H        GLU  32  10.756   3.257  -7.835
  287    HA   GLU  32           HA       GLU  32  10.662   1.004  -8.580
  288   1HB   GLU  32          2HB       GLU  32  13.020   1.553  -6.840
  289   2HB   GLU  32          1HB       GLU  32  12.751  -0.126  -7.311
  290   1HG   GLU  32          2HG       GLU  32  12.792   0.441  -9.652
  291   2HG   GLU  32          1HG       GLU  32  12.789   2.167  -9.288
  292    QB   GLU  32           QB       GLU  32  12.885   0.714  -7.076
  293    QG   GLU  32           QG       GLU  32  12.790   1.304  -9.470
  294    H    LYS  33           H        LYS  33   8.722   1.295  -6.644
  295    HA   LYS  33           HA       LYS  33   8.427  -1.432  -5.703
  296   1HB   LYS  33          2HB       LYS  33   9.650   0.525  -3.884
  297   2HB   LYS  33          1HB       LYS  33   8.235  -0.282  -3.212
  298   1HG   LYS  33          2HG       LYS  33   9.208  -2.387  -3.323
  299   2HG   LYS  33          1HG       LYS  33  10.283  -1.938  -4.638
  300   1HD   LYS  33          2HD       LYS  33  10.990  -0.239  -2.517
  301   2HD   LYS  33          1HD       LYS  33  10.768  -1.827  -1.783
  302   1HE   LYS  33          2HE       LYS  33  13.065  -1.670  -2.522
  303   2HE   LYS  33          1HE       LYS  33  12.225  -2.790  -3.596
  304   1HZ   LYS  33          1HZ       LYS  33  12.402   0.082  -4.247
  305   2HZ   LYS  33          3HZ       LYS  33  13.679  -0.969  -4.625
  306   3HZ   LYS  33          2HZ       LYS  33  12.137  -1.235  -5.287
  307    QB   LYS  33           QB       LYS  33   8.942   0.121  -3.548
  308    QG   LYS  33           QG       LYS  33   9.746  -2.163  -3.981
  309    QD   LYS  33           QD       LYS  33  10.879  -1.033  -2.150
  310    QE   LYS  33           QE       LYS  33  12.645  -2.230  -3.059
  311    QZ   LYS  33           QZ       LYS  33  12.739  -0.707  -4.720
  312    H    ALA  34           H        ALA  34   6.316  -1.729  -4.668
  313    HA   ALA  34           HA       ALA  34   4.313   0.019  -5.780
  314   1HB   ALA  34          2HB       ALA  34   4.357  -2.570  -4.885
  315   2HB   ALA  34          1HB       ALA  34   3.467  -1.762  -3.593
  316   3HB   ALA  34          3HB       ALA  34   2.889  -1.667  -5.257
  317    QB   ALA  34           QB       ALA  34   3.571  -2.000  -4.578
  318    H    TYR  35           H        TYR  35   2.980   1.529  -4.758
  319    HA   TYR  35           HA       TYR  35   3.264   2.030  -1.851
  320   1HB   TYR  35          2HB       TYR  35   3.998   4.296  -2.061
  321   2HB   TYR  35          1HB       TYR  35   5.067   3.369  -3.113
  322    HD1  TYR  35          1HD       TYR  35   3.183   6.287  -2.970
  323    HD2  TYR  35          2HD       TYR  35   3.970   2.960  -5.546
  324    HE1  TYR  35          1HE       TYR  35   2.462   7.633  -4.924
  325    HE2  TYR  35          2HE       TYR  35   3.244   4.294  -7.510
  326    HH   TYR  35           HH       TYR  35   2.829   7.658  -7.374
  327    QB   TYR  35           QB       TYR  35   4.532   3.832  -2.587
  328    QD   TYR  35           QD       TYR  35   3.577   4.624  -4.258
  329    QE   TYR  35           QE       TYR  35   2.853   5.964  -6.217
  330    QR   TYR  35           QR       TYR  35   3.215   5.294  -5.237
  331    H    VAL  36           H        VAL  36   1.536   3.544  -1.106
  332    HA   VAL  36           HA       VAL  36  -0.940   3.054  -2.497
  333    HB   VAL  36           HB       VAL  36  -0.705   3.436  -0.004
  334   1HG1  VAL  36          2HG1      VAL  36   0.398   5.911  -0.932
  335   2HG1  VAL  36          1HG1      VAL  36  -1.063   6.262  -0.010
  336   3HG1  VAL  36          3HG1      VAL  36   0.246   5.336   0.722
  337   1HG2  VAL  36          1HG2      VAL  36  -2.672   4.986  -1.690
  338   2HG2  VAL  36          3HG2      VAL  36  -2.917   3.455  -0.848
  339   3HG2  VAL  36          2HG2      VAL  36  -2.792   4.956   0.070
  340    QG1  VAL  36           QG1      VAL  36  -0.140   5.836  -0.074
  341    QG2  VAL  36           QG2      VAL  36  -2.793   4.465  -0.823
  342    QQG  VAL  36           QQG      VAL  36  -1.466   5.151  -0.448
  343    H    LYS  37           H        LYS  37   0.076   3.954  -4.578
  344    HA   LYS  37           HA       LYS  37   0.535   6.700  -5.016
  345   1HB   LYS  37          2HB       LYS  37   0.319   6.229  -7.337
  346   2HB   LYS  37          1HB       LYS  37   0.912   4.736  -6.617
  347   1HG   LYS  37          2HG       LYS  37  -0.954   3.599  -7.174
  348   2HG   LYS  37          1HG       LYS  37  -2.015   4.891  -6.624
  349   1HD   LYS  37          2HD       LYS  37  -0.453   5.080  -9.203
  350   2HD   LYS  37          1HD       LYS  37  -2.072   4.381  -9.130
  351   1HE   LYS  37          2HE       LYS  37  -2.151   6.834  -7.690
  352   2HE   LYS  37          1HE       LYS  37  -1.330   7.151  -9.218
  353   1HZ   LYS  37          1HZ       LYS  37  -3.740   5.500  -9.289
  354   2HZ   LYS  37          3HZ       LYS  37  -3.942   7.163  -9.022
  355   3HZ   LYS  37          2HZ       LYS  37  -3.157   6.618 -10.426
  356    QB   LYS  37           QB       LYS  37   0.616   5.483  -6.977
  357    QG   LYS  37           QG       LYS  37  -1.485   4.245  -6.899
  358    QD   LYS  37           QD       LYS  37  -1.262   4.731  -9.167
  359    QE   LYS  37           QE       LYS  37  -1.740   6.993  -8.454
  360    QZ   LYS  37           QZ       LYS  37  -3.613   6.427  -9.579
  361    H    ASP  38           H        ASP  38  -2.416   5.157  -4.246
  362    HA   ASP  38           HA       ASP  38  -3.808   7.701  -4.387
  363   1HB   ASP  38          2HB       ASP  38  -3.939   7.181  -6.727
  364   2HB   ASP  38          1HB       ASP  38  -4.415   5.518  -6.386
  365    QB   ASP  38           QB       ASP  38  -4.177   6.349  -6.556
  366    H    VAL  39           H        VAL  39  -4.290   7.234  -2.208
  367    HA   VAL  39           HA       VAL  39  -5.252   4.857  -1.099
  368    HB   VAL  39           HB       VAL  39  -6.300   6.251   0.628
  369   1HG1  VAL  39          3HG1      VAL  39  -3.593   6.739  -0.426
  370   2HG1  VAL  39          2HG1      VAL  39  -4.196   8.014   0.632
  371   3HG1  VAL  39          1HG1      VAL  39  -4.109   6.353   1.216
  372   1HG2  VAL  39          1HG2      VAL  39  -6.068   8.330  -1.534
  373   2HG2  VAL  39          3HG2      VAL  39  -7.445   7.960  -0.496
  374   3HG2  VAL  39          2HG2      VAL  39  -6.054   8.824   0.158
  375    QG1  VAL  39           QG1      VAL  39  -3.966   7.036   0.474
  376    QG2  VAL  39           QG2      VAL  39  -6.522   8.371  -0.624
  377    QQG  VAL  39           QQG      VAL  39  -5.244   7.703  -0.075
  378    H    GLU  40           H        GLU  40  -6.905   7.102  -3.206
  379    HA   GLU  40           HA       GLU  40  -9.567   6.051  -2.625
  380   1HB   GLU  40          2HB       GLU  40  -8.844   7.551  -5.135
  381   2HB   GLU  40          1HB       GLU  40 -10.352   7.586  -4.219
  382   1HG   GLU  40          2HG       GLU  40  -9.030   8.625  -2.308
  383   2HG   GLU  40          1HG       GLU  40  -7.697   8.817  -3.449
  384    QB   GLU  40           QB       GLU  40  -9.598   7.568  -4.677
  385    QG   GLU  40           QG       GLU  40  -8.364   8.721  -2.879
  386    H    GLY  41           H        GLY  41  -6.910   4.923  -4.391
  387   1HA   GLY  41          2HA       GLY  41  -8.415   3.593  -6.515
  388   2HA   GLY  41          1HA       GLY  41  -6.708   3.346  -6.146
  389    QA   GLY  41           QA       GLY  41  -7.562   3.470  -6.330
  390    H    ALA  42           H        ALA  42  -7.621   2.931  -3.223
  391    HA   ALA  42           HA       ALA  42  -8.671   0.152  -3.573
  392   1HB   ALA  42          1HB       ALA  42  -6.437   1.121  -1.769
  393   2HB   ALA  42          3HB       ALA  42  -7.203  -0.459  -1.605
  394   3HB   ALA  42          2HB       ALA  42  -6.318  -0.057  -3.077
  395    QB   ALA  42           QB       ALA  42  -6.653   0.202  -2.150
  396    H    SER  43           H        SER  43  -9.949  -0.620  -1.764
  397    HA   SER  43           HA       SER  43 -11.245   1.599  -0.291
  398   1HB   SER  43          2HB       SER  43 -12.028  -1.102  -1.205
  399   2HB   SER  43          1HB       SER  43 -12.669  -0.620   0.355
  400    HG   SER  43           HG       SER  43 -13.930  -0.005  -1.558
  401    QB   SER  43           QB       SER  43 -12.348  -0.861  -0.425
  402    H    GLN  44           H        GLN  44 -12.212   0.312   1.907
  403    HA   GLN  44           HA       GLN  44  -9.889   0.206   3.644
  404   1HB   GLN  44          2HB       GLN  44 -12.687   0.559   3.953
  405   2HB   GLN  44          1HB       GLN  44 -12.254  -0.869   4.891
  406   1HG   GLN  44          2HG       GLN  44 -10.196   0.840   5.505
  407   2HG   GLN  44          1HG       GLN  44 -11.553   1.956   5.343
  408   1HE2  GLN  44          2HE2      GLN  44 -11.346   0.289   8.814
  409   2HE2  GLN  44          1HE2      GLN  44 -10.101   0.899   7.834
  410    QB   GLN  44           QB       GLN  44 -12.470  -0.155   4.422
  411    QG   GLN  44           QG       GLN  44 -10.874   1.398   5.424
  412    QE2  GLN  44           QE2      GLN  44 -10.724   0.594   8.324
  413    H    GLU  45           H        GLU  45 -12.426  -2.216   2.892
  414    HA   GLU  45           HA       GLU  45 -11.048  -4.404   4.103
  415   1HB   GLU  45          2HB       GLU  45 -12.990  -4.511   1.777
  416   2HB   GLU  45          1HB       GLU  45 -12.607  -5.826   2.889
  417   1HG   GLU  45          2HG       GLU  45 -13.688  -3.191   3.884
  418   2HG   GLU  45          1HG       GLU  45 -14.763  -4.484   3.348
  419    QB   GLU  45           QB       GLU  45 -12.798  -5.169   2.333
  420    QG   GLU  45           QG       GLU  45 -14.226  -3.838   3.616
  421    H    GLU  46           H        GLU  46 -10.404  -2.687   1.215
  422    HA   GLU  46           HA       GLU  46  -8.940  -4.977   0.003
  423   1HB   GLU  46          2HB       GLU  46  -9.191  -2.137  -1.025
  424   2HB   GLU  46          1HB       GLU  46  -8.673  -3.555  -1.932
  425   1HG   GLU  46          2HG       GLU  46 -10.996  -4.534  -1.334
  426   2HG   GLU  46          1HG       GLU  46 -11.431  -2.873  -0.930
  427    QB   GLU  46           QB       GLU  46  -8.932  -2.846  -1.479
  428    QG   GLU  46           QG       GLU  46 -11.214  -3.703  -1.132
  429    H    VAL  47           H        VAL  47  -8.473  -1.694   1.174
  430    HA   VAL  47           HA       VAL  47  -5.640  -1.600   0.953
  431    HB   VAL  47           HB       VAL  47  -7.667  -0.217   2.707
  432   1HG1  VAL  47          3HG1      VAL  47  -4.656  -0.033   2.859
  433   2HG1  VAL  47          2HG1      VAL  47  -5.733   1.220   3.480
  434   3HG1  VAL  47          1HG1      VAL  47  -5.782  -0.405   4.165
  435   1HG2  VAL  47          3HG2      VAL  47  -6.841   0.225   0.146
  436   2HG2  VAL  47          2HG2      VAL  47  -7.444   1.497   1.210
  437   3HG2  VAL  47          1HG2      VAL  47  -5.708   1.246   1.031
  438    QG1  VAL  47           QG1      VAL  47  -5.390   0.260   3.501
  439    QG2  VAL  47           QG2      VAL  47  -6.665   0.989   0.796
  440    QQG  VAL  47           QQG      VAL  47  -6.027   0.625   2.148
  441    H    GLU  48           H        GLU  48  -7.813  -2.872   3.454
  442    HA   GLU  48           HA       GLU  48  -5.773  -3.511   5.356
  443   1HB   GLU  48          2HB       GLU  48  -8.623  -3.599   5.063
  444   2HB   GLU  48          1HB       GLU  48  -8.057  -5.151   5.631
  445   1HG   GLU  48          2HG       GLU  48  -6.560  -3.415   7.137
  446   2HG   GLU  48          1HG       GLU  48  -8.089  -2.555   6.984
  447    QB   GLU  48           QB       GLU  48  -8.340  -4.375   5.347
  448    QG   GLU  48           QG       GLU  48  -7.325  -2.985   7.061
  449    H    GLU  49           H        GLU  49  -7.764  -5.568   3.166
  450    HA   GLU  49           HA       GLU  49  -6.580  -8.029   3.659
  451   1HB   GLU  49          2HB       GLU  49  -8.269  -7.030   1.690
  452   2HB   GLU  49          1HB       GLU  49  -6.859  -7.576   0.779
  453   1HG   GLU  49          2HG       GLU  49  -6.989  -9.757   2.048
  454   2HG   GLU  49          1HG       GLU  49  -8.524  -9.205   2.719
  455    QB   GLU  49           QB       GLU  49  -7.564  -7.303   1.235
  456    QG   GLU  49           QG       GLU  49  -7.756  -9.481   2.383
  457    H    ALA  50           H        ALA  50  -5.390  -5.579   1.330
  458    HA   ALA  50           HA       ALA  50  -3.018  -7.010   0.619
  459   1HB   ALA  50          2HB       ALA  50  -4.157  -4.431   0.096
  460   2HB   ALA  50          1HB       ALA  50  -2.477  -4.207   0.586
  461   3HB   ALA  50          3HB       ALA  50  -2.865  -5.251  -0.781
  462    QB   ALA  50           QB       ALA  50  -3.166  -4.629  -0.033
  463    H    MET  51           H        MET  51  -3.875  -5.027   3.371
  464    HA   MET  51           HA       MET  51  -1.231  -4.525   4.361
  465   1HB   MET  51          2HB       MET  51  -3.382  -3.420   5.150
  466   2HB   MET  51          1HB       MET  51  -3.723  -4.905   6.037
  467   1HG   MET  51          2HG       MET  51  -1.708  -4.665   7.349
  468   2HG   MET  51          1HG       MET  51  -1.169  -3.308   6.359
  469   1HE   MET  51          3HE       MET  51  -2.742  -1.375   5.834
  470   2HE   MET  51          2HE       MET  51  -3.340  -0.402   7.176
  471   3HE   MET  51          1HE       MET  51  -1.629  -0.814   7.089
  472    QB   MET  51           QB       MET  51  -3.552  -4.163   5.593
  473    QG   MET  51           QG       MET  51  -1.439  -3.987   6.854
  474    QE   MET  51           QE       MET  51  -2.570  -0.863   6.700
  475    H    ASP  52           H        ASP  52  -3.193  -7.357   4.263
  476    HA   ASP  52           HA       ASP  52  -1.417  -8.694   6.254
  477   1HB   ASP  52          2HB       ASP  52  -4.103  -8.721   6.224
  478   2HB   ASP  52          1HB       ASP  52  -3.809 -10.080   5.139
  479    QB   ASP  52           QB       ASP  52  -3.956  -9.400   5.682
  480    H    THR  53           H        THR  53  -1.930  -8.336   2.928
  481    HA   THR  53           HA       THR  53  -0.875 -11.035   2.285
  482    HB   THR  53           HB       THR  53  -1.488 -10.574   0.014
  483    HG1  THR  53          1HG       THR  53  -2.189  -8.453  -0.550
  484   1HG2  THR  53          2HG2      THR  53  -3.369  -9.989   2.189
  485   2HG2  THR  53          1HG2      THR  53  -3.859  -9.304   0.639
  486   3HG2  THR  53          3HG2      THR  53  -3.565 -11.038   0.784
  487    QG2  THR  53           QG2      THR  53  -3.597 -10.110   1.204
  488    H    CYS  54           H        CYS  54   0.875  -9.133   3.622
  489    HA   CYS  54           HA       CYS  54   2.886  -8.778   1.436
  490   1HB   CYS  54          1HB       CYS  54   1.945  -6.589   2.257
  491   2HB   CYS  54          2HB       CYS  54   2.577  -6.977   3.854
  492    QB   CYS  54           QB       CYS  54   2.261  -6.783   3.056
  493    HA   PRO  55           HA       PRO  55   5.241 -11.384   4.116
  494   1HB   PRO  55          2HB       PRO  55   7.615 -11.213   2.801
  495   2HB   PRO  55          1HB       PRO  55   6.268 -12.199   2.228
  496   1HG   PRO  55          2HG       PRO  55   7.156  -9.505   1.295
  497   2HG   PRO  55          1HG       PRO  55   6.509 -10.859   0.354
  498   1HD   PRO  55          2HD       PRO  55   5.040  -8.656   1.068
  499   2HD   PRO  55          1HD       PRO  55   4.333 -10.252   0.739
  500    QB   PRO  55           QB       PRO  55   6.941 -11.706   2.514
  501    QG   PRO  55           QG       PRO  55   6.832 -10.182   0.825
  502    QD   PRO  55           QD       PRO  55   4.687  -9.454   0.904
  503    H    VAL  56           H        VAL  56   6.301  -8.168   3.112
  504    HA   VAL  56           HA       VAL  56   8.011  -7.943   5.536
  505    HB   VAL  56           HB       VAL  56   8.934  -5.960   4.511
  506   1HG1  VAL  56          3HG1      VAL  56   9.313  -8.409   3.507
  507   2HG1  VAL  56          2HG1      VAL  56   8.585  -7.667   2.082
  508   3HG1  VAL  56          1HG1      VAL  56  10.058  -6.988   2.775
  509   1HG2  VAL  56          1HG2      VAL  56   6.401  -6.088   2.980
  510   2HG2  VAL  56          3HG2      VAL  56   7.344  -4.683   3.479
  511   3HG2  VAL  56          2HG2      VAL  56   7.813  -5.597   2.046
  512    QG1  VAL  56           QG1      VAL  56   9.319  -7.688   2.788
  513    QG2  VAL  56           QG2      VAL  56   7.186  -5.456   2.835
  514    QQG  VAL  56           QQG      VAL  56   8.252  -6.572   2.812
  515    H    GLN  57           H        GLN  57   4.921  -7.138   4.318
  516    HA   GLN  57           HA       GLN  57   3.253  -5.646   5.055
  517   1HB   GLN  57          2HB       GLN  57   4.479  -6.947   7.456
  518   2HB   GLN  57          1HB       GLN  57   3.311  -5.653   7.720
  519   1HG   GLN  57          2HG       GLN  57   1.823  -6.927   6.024
  520   2HG   GLN  57          1HG       GLN  57   2.900  -8.292   6.324
  521   1HE2  GLN  57          2HE2      GLN  57   0.920  -6.890   9.649
  522   2HE2  GLN  57          1HE2      GLN  57   1.608  -5.777   8.567
  523    QB   GLN  57           QB       GLN  57   3.895  -6.300   7.588
  524    QG   GLN  57           QG       GLN  57   2.361  -7.610   6.174
  525    QE2  GLN  57           QE2      GLN  57   1.264  -6.333   9.108
  526    H    CYS  58           H        CYS  58   4.196  -3.676   4.227
  527    HA   CYS  58           HA       CYS  58   5.499  -2.004   6.342
  528   1HB   CYS  58          2HB       CYS  58   6.496  -0.723   4.405
  529   2HB   CYS  58          1HB       CYS  58   7.091  -2.377   4.563
  530    HG   CYS  58           HG       CYS  58   5.689  -3.086   2.537
  531    QB   CYS  58           QB       CYS  58   6.793  -1.550   4.484
  532    H    ILE  59           H        ILE  59   2.625  -2.510   4.930
  533    HA   ILE  59           HA       ILE  59   1.984   0.333   4.386
  534    HB   ILE  59           HB       ILE  59   1.203  -1.628   2.915
  535   1HG1  ILE  59          2HG1      ILE  59   0.260   0.696   2.858
  536   2HG1  ILE  59          1HG1      ILE  59  -0.924  -0.544   2.445
  537   1HG2  ILE  59          3HG2      ILE  59   0.467  -2.865   5.113
  538   2HG2  ILE  59          2HG2      ILE  59  -1.013  -1.926   4.912
  539   3HG2  ILE  59          1HG2      ILE  59  -0.490  -3.032   3.642
  540   1HD1  ILE  59          1HD1      ILE  59  -1.236  -0.408   5.156
  541   2HD1  ILE  59          3HD1      ILE  59  -0.821   1.262   4.778
  542   3HD1  ILE  59          2HD1      ILE  59  -2.210   0.503   4.004
  543    QG1  ILE  59           QG1      ILE  59  -0.332   0.076   2.652
  544    QG2  ILE  59           QG2      ILE  59  -0.345  -2.608   4.556
  545    QD1  ILE  59           QD1      ILE  59  -1.423   0.452   4.646
  546    H    HIS  60           H        HIS  60   1.032   1.585   5.908
  547    HA   HIS  60           HA       HIS  60  -0.454   0.237   8.120
  548   1HB   HIS  60          2HB       HIS  60   1.091   2.730   8.710
  549   2HB   HIS  60          1HB       HIS  60   0.672   1.394   9.781
  550    HD1  HIS  60          1HD       HIS  60   3.220   2.491   7.269
  551    HD2  HIS  60          2HD       HIS  60   2.452  -0.846   9.645
  552    HE1  HIS  60          1HE       HIS  60   5.299   1.048   7.169
  553    QB   HIS  60           QB       HIS  60   0.882   2.062   9.245
  554    H    TRP  61           H        TRP  61  -1.166   2.670   9.428
  555    HA   TRP  61           HA       TRP  61  -2.904   3.878   7.311
  556   1HB   TRP  61          2HB       TRP  61  -3.386   3.729  10.301
  557   2HB   TRP  61          1HB       TRP  61  -4.490   4.389   9.104
  558    HD1  TRP  61           HD       TRP  61  -2.754   1.032   9.937
  559    HE1  TRP  61          1HE       TRP  61  -4.306  -0.872   9.144
  560    HE3  TRP  61          3HE       TRP  61  -6.427   3.778   7.764
  561    HZ2  TRP  61          2HZ       TRP  61  -6.801  -1.175   7.758
  562    HZ3  TRP  61          3HZ       TRP  61  -8.393   2.677   6.714
  563    HH2  TRP  61           HH       TRP  61  -8.582   0.202   6.710
  564    QB   TRP  61           QB       TRP  61  -3.938   4.059   9.703
  565    H    GLU  62           H        GLU  62  -3.595   6.201   8.031
  566    HA   GLU  62           HA       GLU  62  -1.282   7.628   9.248
  567   1HB   GLU  62          2HB       GLU  62  -0.910   7.812   6.877
  568   2HB   GLU  62          1HB       GLU  62  -2.602   8.206   6.582
  569   1HG   GLU  62          2HG       GLU  62  -1.856  10.146   8.403
  570   2HG   GLU  62          1HG       GLU  62  -0.393   9.948   7.439
  571    QB   GLU  62           QB       GLU  62  -1.756   8.009   6.730
  572    QG   GLU  62           QG       GLU  62  -1.124  10.047   7.921
  573    H    ASP  63           H        ASP  63  -2.840   7.689  11.071
  574    HA   ASP  63           HA       ASP  63  -5.224   9.395  10.670
  575   1HB   ASP  63          2HB       ASP  63  -4.171   7.709  12.934
  576   2HB   ASP  63          1HB       ASP  63  -5.429   8.911  13.224
  577    QB   ASP  63           QB       ASP  63  -4.800   8.310  13.079
  578    H    GLU  64           H        GLU  64  -1.954   9.642  11.736
  579    HA   GLU  64           HA       GLU  64  -1.955  11.668  13.636
  580   1HB   GLU  64          2HB       GLU  64  -0.147  10.986  11.358
  581   2HB   GLU  64          1HB       GLU  64   0.095  12.540  12.156
  582   1HG   GLU  64          2HG       GLU  64  -0.027  11.154  14.363
  583   2HG   GLU  64          1HG       GLU  64   0.306   9.772  13.320
  584    QB   GLU  64           QB       GLU  64  -0.026  11.763  11.757
  585    QG   GLU  64           QG       GLU  64   0.140  10.463  13.842
   
  No H/Q in entry =         585
  Start of MODEL    3
    1    HA   ALA   1           HA       ALA   1  -9.048  11.377   9.248
    2   1HB   ALA   1          1HB       ALA   1  -7.593  13.053  11.199
    3   2HB   ALA   1          3HB       ALA   1  -6.596  12.400   9.899
    4   3HB   ALA   1          2HB       ALA   1  -8.007  13.387   9.518
    5    QB   ALA   1           QB       ALA   1  -7.398  12.946  10.205
    6    H    ARG   2           H        ARG   2  -9.080   8.960   9.695
    7    HA   ARG   2           HA       ARG   2  -6.572   7.832  10.754
    8   1HB   ARG   2          2HB       ARG   2  -7.676   5.643  10.162
    9   2HB   ARG   2          1HB       ARG   2  -8.617   6.639  11.274
   10   1HG   ARG   2          2HG       ARG   2  -9.203   7.275   8.488
   11   2HG   ARG   2          1HG       ARG   2  -9.523   5.580   8.857
   12   1HD   ARG   2          2HD       ARG   2 -11.080   6.112  10.543
   13   2HD   ARG   2          1HD       ARG   2 -10.474   7.760  10.707
   14    HE   ARG   2           HE       ARG   2 -11.937   8.384   8.975
   15   1HH1  ARG   2          1HH1      ARG   2 -13.280   5.643   9.649
   16   2HH1  ARG   2          2HH1      ARG   2 -13.515   5.031   8.046
   17   1HH2  ARG   2          1HH2      ARG   2 -11.380   7.326   6.568
   18   2HH2  ARG   2          2HH2      ARG   2 -12.441   5.983   6.303
   19    QB   ARG   2           QB       ARG   2  -8.147   6.141  10.718
   20    QG   ARG   2           QG       ARG   2  -9.363   6.427   8.673
   21    QD   ARG   2           QD       ARG   2 -10.777   6.936  10.625
   22    QH1  ARG   2           QH1      ARG   2 -13.397   5.337   8.847
   23    QH2  ARG   2           QH2      ARG   2 -11.910   6.655   6.435
   24    H    LYS   3           H        LYS   3  -4.898   8.229   9.323
   25    HA   LYS   3           HA       LYS   3  -5.352   7.711   6.434
   26   1HB   LYS   3          2HB       LYS   3  -3.865   9.630   7.793
   27   2HB   LYS   3          1HB       LYS   3  -2.648   8.494   7.213
   28   1HG   LYS   3          2HG       LYS   3  -3.950   8.625   4.955
   29   2HG   LYS   3          1HG       LYS   3  -4.622  10.114   5.621
   30   1HD   LYS   3          2HD       LYS   3  -1.896  10.313   6.165
   31   2HD   LYS   3          1HD       LYS   3  -1.955   9.609   4.549
   32   1HE   LYS   3          2HE       LYS   3  -3.423  12.115   5.425
   33   2HE   LYS   3          1HE       LYS   3  -1.956  12.078   4.444
   34   1HZ   LYS   3          3HZ       LYS   3  -3.453  10.450   3.027
   35   2HZ   LYS   3          2HZ       LYS   3  -4.697  11.373   3.724
   36   3HZ   LYS   3          1HZ       LYS   3  -3.490  12.130   2.798
   37    QB   LYS   3           QB       LYS   3  -3.256   9.062   7.503
   38    QG   LYS   3           QG       LYS   3  -4.286   9.370   5.288
   39    QD   LYS   3           QD       LYS   3  -1.926   9.961   5.357
   40    QE   LYS   3           QE       LYS   3  -2.690  12.097   4.935
   41    QZ   LYS   3           QZ       LYS   3  -3.880  11.318   3.183
   42    H    PHE   4           H        PHE   4  -2.548   7.074   5.969
   43    HA   PHE   4           HA       PHE   4  -1.472   4.934   7.349
   44   1HB   PHE   4          2HB       PHE   4  -2.331   2.982   5.973
   45   2HB   PHE   4          1HB       PHE   4  -3.509   3.661   7.095
   46    HD1  PHE   4          1HD       PHE   4  -2.329   4.014   3.550
   47    HD2  PHE   4          2HD       PHE   4  -5.614   4.293   6.305
   48    HE1  PHE   4          1HE       PHE   4  -3.876   4.459   1.662
   49    HE2  PHE   4          2HE       PHE   4  -7.158   4.740   4.418
   50    HZ   PHE   4           HZ       PHE   4  -6.291   4.823   2.097
   51    QB   PHE   4           QB       PHE   4  -2.920   3.321   6.534
   52    QD   PHE   4           QD       PHE   4  -3.971   4.153   4.928
   53    QE   PHE   4           QE       PHE   4  -5.517   4.600   3.040
   54    QR   PHE   4           QR       PHE   4  -5.053   4.466   3.607
   55    H    TYR   5           H        TYR   5  -0.196   3.420   5.668
   56    HA   TYR   5           HA       TYR   5   0.254   4.304   3.033
   57   1HB   TYR   5          2HB       TYR   5   2.400   5.504   3.300
   58   2HB   TYR   5          1HB       TYR   5   1.087   6.393   4.054
   59    HD1  TYR   5          1HD       TYR   5   4.291   4.884   4.544
   60    HD2  TYR   5          2HD       TYR   5   0.690   6.013   6.595
   61    HE1  TYR   5          1HE       TYR   5   5.497   4.799   6.709
   62    HE2  TYR   5          2HE       TYR   5   1.896   5.927   8.759
   63    HH   TYR   5           HH       TYR   5   5.073   6.036   9.096
   64    QB   TYR   5           QB       TYR   5   1.744   5.948   3.677
   65    QD   TYR   5           QD       TYR   5   2.490   5.448   5.569
   66    QE   TYR   5           QE       TYR   5   3.696   5.363   7.734
   67    QR   TYR   5           QR       TYR   5   3.093   5.406   6.652
   68    H    VAL   6           H        VAL   6   2.828   3.629   2.598
   69    HA   VAL   6           HA       VAL   6   3.163   1.155   4.232
   70    HB   VAL   6           HB       VAL   6   3.899   0.996   1.369
   71   1HG1  VAL   6          2HG1      VAL   6   3.631  -0.665   3.609
   72   2HG1  VAL   6          1HG1      VAL   6   2.279  -1.100   2.566
   73   3HG1  VAL   6          3HG1      VAL   6   3.930  -1.180   1.950
   74   1HG2  VAL   6          3HG2      VAL   6   1.176   1.649   2.286
   75   2HG2  VAL   6          2HG2      VAL   6   1.813   1.591   0.646
   76   3HG2  VAL   6          1HG2      VAL   6   1.241   0.118   1.427
   77    QG1  VAL   6           QG1      VAL   6   3.280  -0.982   2.709
   78    QG2  VAL   6           QG2      VAL   6   1.410   1.119   1.453
   79    QQG  VAL   6           QQG      VAL   6   2.345   0.069   2.081
   80    H    ASP   7           H        ASP   7   5.302   0.131   3.860
   81    HA   ASP   7           HA       ASP   7   7.376   2.225   3.495
   82   1HB   ASP   7          2HB       ASP   7   7.359   1.536   5.811
   83   2HB   ASP   7          1HB       ASP   7   7.327  -0.165   5.349
   84    QB   ASP   7           QB       ASP   7   7.343   0.686   5.580
   85    H    GLN   8           H        GLN   8   7.609   1.792   1.311
   86    HA   GLN   8           HA       GLN   8   7.972  -0.795   0.159
   87   1HB   GLN   8          2HB       GLN   8   8.834   1.973  -0.648
   88   2HB   GLN   8          1HB       GLN   8   9.249   0.551  -1.597
   89   1HG   GLN   8          2HG       GLN   8   7.027   1.910  -2.097
   90   2HG   GLN   8          1HG       GLN   8   7.058   0.153  -2.225
   91   1HE2  GLN   8          2HE2      GLN   8   4.616  -0.259   0.255
   92   2HE2  GLN   8          1HE2      GLN   8   5.452  -0.903  -1.071
   93    QB   GLN   8           QB       GLN   8   9.042   1.262  -1.122
   94    QG   GLN   8           QG       GLN   8   7.042   1.032  -2.161
   95    QE2  GLN   8           QE2      GLN   8   5.034  -0.581  -0.408
   96    H    ASP   9           H        ASP   9   9.550  -0.734   2.512
   97    HA   ASP   9           HA       ASP   9  12.349  -0.615   1.504
   98   1HB   ASP   9          2HB       ASP   9  11.226   0.159   3.943
   99   2HB   ASP   9          1HB       ASP   9  12.001  -1.386   4.301
  100    QB   ASP   9           QB       ASP   9  11.613  -0.613   4.122
  101    H    GLU  10           H        GLU  10   9.829  -2.719   2.642
  102    HA   GLU  10           HA       GLU  10  11.639  -5.057   2.228
  103   1HB   GLU  10          2HB       GLU  10   9.967  -4.343   4.452
  104   2HB   GLU  10          1HB       GLU  10   9.334  -5.813   3.715
  105   1HG   GLU  10          2HG       GLU  10  11.093  -7.049   4.425
  106   2HG   GLU  10          1HG       GLU  10  12.255  -5.822   3.918
  107    QB   GLU  10           QB       GLU  10   9.651  -5.078   4.083
  108    QG   GLU  10           QG       GLU  10  11.674  -6.436   4.171
  109    H    CYS  11           H        CYS  11   9.746  -3.476   0.380
  110    HA   CYS  11           HA       CYS  11   7.566  -5.324  -0.175
  111   1HB   CYS  11          1HB       CYS  11   7.184  -3.025  -0.759
  112   2HB   CYS  11          2HB       CYS  11   8.675  -2.954  -1.702
  113    QB   CYS  11           QB       CYS  11   7.930  -2.990  -1.230
  114    H    ILE  12           H        ILE  12   7.755  -7.185  -1.274
  115    HA   ILE  12           HA       ILE  12  10.238  -7.941  -2.571
  116    HB   ILE  12           HB       ILE  12   8.982  -9.997  -3.196
  117   1HG1  ILE  12          2HG1      ILE  12   6.640  -8.714  -1.769
  118   2HG1  ILE  12          1HG1      ILE  12   6.803  -8.714  -3.526
  119   1HG2  ILE  12          3HG2      ILE  12   9.729  -9.141  -0.668
  120   2HG2  ILE  12          2HG2      ILE  12   8.070  -9.687  -0.426
  121   3HG2  ILE  12          1HG2      ILE  12   9.272 -10.790  -1.094
  122   1HD1  ILE  12          3HD1      ILE  12   7.070 -11.247  -3.372
  123   2HD1  ILE  12          2HD1      ILE  12   6.548 -11.106  -1.692
  124   3HD1  ILE  12          1HD1      ILE  12   5.463 -10.622  -2.995
  125    QG1  ILE  12           QG1      ILE  12   6.721  -8.714  -2.647
  126    QG2  ILE  12           QG2      ILE  12   9.024  -9.873  -0.730
  127    QD1  ILE  12           QD1      ILE  12   6.360 -10.992  -2.686
  128    H    ALA  13           H        ALA  13   7.689  -6.007  -3.552
  129    HA   ALA  13           HA       ALA  13   7.372  -4.967  -5.645
  130   1HB   ALA  13          3HB       ALA  13   9.861  -5.811  -5.967
  131   2HB   ALA  13          2HB       ALA  13   9.091  -6.988  -7.029
  132   3HB   ALA  13          1HB       ALA  13   8.914  -5.264  -7.350
  133    QB   ALA  13           QB       ALA  13   9.289  -6.021  -6.782
  134    H    CYS  14           H        CYS  14   5.794  -7.213  -4.567
  135    HA   CYS  14           HA       CYS  14   5.015  -8.665  -7.038
  136   1HB   CYS  14          1HB       CYS  14   4.000 -10.249  -5.689
  137   2HB   CYS  14          2HB       CYS  14   5.271  -9.687  -4.607
  138    QB   CYS  14           QB       CYS  14   4.636  -9.968  -5.148
  139    H    GLU  15           H        GLU  15   2.822  -8.576  -7.810
  140    HA   GLU  15           HA       GLU  15   1.612  -5.932  -7.469
  141   1HB   GLU  15          2HB       GLU  15   0.036  -6.704  -9.212
  142   2HB   GLU  15          1HB       GLU  15   1.711  -6.979  -9.691
  143   1HG   GLU  15          2HG       GLU  15   1.140  -9.309  -8.369
  144   2HG   GLU  15          1HG       GLU  15  -0.420  -8.931  -9.102
  145    QB   GLU  15           QB       GLU  15   0.874  -6.841  -9.452
  146    QG   GLU  15           QG       GLU  15   0.360  -9.120  -8.736
  147    H    SER  16           H        SER  16   1.459  -8.540  -5.530
  148    HA   SER  16           HA       SER  16  -1.171  -9.293  -5.112
  149   1HB   SER  16          2HB       SER  16   1.065  -8.689  -3.201
  150   2HB   SER  16          1HB       SER  16  -0.531  -9.080  -2.567
  151    HG   SER  16           HG       SER  16   1.256 -10.777  -3.291
  152    QB   SER  16           QB       SER  16   0.267  -8.884  -2.884
  153    H    CYS  17           H        CYS  17   0.038  -6.811  -2.888
  154    HA   CYS  17           HA       CYS  17  -2.414  -5.636  -2.284
  155   1HB   CYS  17          1HB       CYS  17  -1.202  -3.782  -1.444
  156   2HB   CYS  17          2HB       CYS  17  -0.069  -5.129  -1.327
  157    QB   CYS  17           QB       CYS  17  -0.635  -4.456  -1.386
  158    H    VAL  18           H        VAL  18  -0.129  -4.419  -4.757
  159    HA   VAL  18           HA       VAL  18  -1.665  -2.377  -5.846
  160    HB   VAL  18           HB       VAL  18   0.110  -4.372  -7.281
  161   1HG1  VAL  18          3HG1      VAL  18  -1.664  -2.410  -8.360
  162   2HG1  VAL  18          2HG1      VAL  18  -0.014  -1.827  -8.577
  163   3HG1  VAL  18          1HG1      VAL  18  -0.485  -3.400  -9.218
  164   1HG2  VAL  18          1HG2      VAL  18   1.105  -2.933  -5.453
  165   2HG2  VAL  18          3HG2      VAL  18   1.816  -2.674  -7.046
  166   3HG2  VAL  18          2HG2      VAL  18   0.648  -1.519  -6.403
  167    QG1  VAL  18           QG1      VAL  18  -0.721  -2.546  -8.718
  168    QG2  VAL  18           QG2      VAL  18   1.190  -2.375  -6.301
  169    QQG  VAL  18           QQG      VAL  18   0.234  -2.461  -7.509
  170    H    GLU  19           H        GLU  19  -2.194  -5.839  -6.168
  171    HA   GLU  19           HA       GLU  19  -4.096  -5.497  -8.364
  172   1HB   GLU  19          2HB       GLU  19  -2.741  -7.697  -7.135
  173   2HB   GLU  19          1HB       GLU  19  -4.475  -8.009  -7.057
  174   1HG   GLU  19          2HG       GLU  19  -4.195  -7.026  -9.609
  175   2HG   GLU  19          1HG       GLU  19  -2.690  -7.921  -9.398
  176    QB   GLU  19           QB       GLU  19  -3.608  -7.853  -7.096
  177    QG   GLU  19           QG       GLU  19  -3.443  -7.474  -9.503
  178    H    ILE  20           H        ILE  20  -4.278  -6.029  -4.871
  179    HA   ILE  20           HA       ILE  20  -7.218  -5.957  -4.980
  180    HB   ILE  20           HB       ILE  20  -5.417  -5.863  -2.564
  181   1HG1  ILE  20          2HG1      ILE  20  -6.621  -8.349  -2.919
  182   2HG1  ILE  20          1HG1      ILE  20  -5.794  -7.932  -4.404
  183   1HG2  ILE  20          3HG2      ILE  20  -8.132  -5.442  -2.770
  184   2HG2  ILE  20          2HG2      ILE  20  -8.017  -7.157  -2.374
  185   3HG2  ILE  20          1HG2      ILE  20  -7.289  -5.956  -1.308
  186   1HD1  ILE  20          3HD1      ILE  20  -3.865  -7.215  -2.760
  187   2HD1  ILE  20          2HD1      ILE  20  -4.671  -8.337  -1.664
  188   3HD1  ILE  20          1HD1      ILE  20  -4.055  -8.909  -3.214
  189    QG1  ILE  20           QG1      ILE  20  -6.208  -8.140  -3.661
  190    QG2  ILE  20           QG2      ILE  20  -7.813  -6.185  -2.151
  191    QD1  ILE  20           QD1      ILE  20  -4.197  -8.154  -2.546
  192    H    ALA  21           H        ALA  21  -5.147  -3.676  -5.682
  193    HA   ALA  21           HA       ALA  21  -6.834  -1.479  -5.058
  194   1HB   ALA  21          3HB       ALA  21  -5.613  -2.290  -2.758
  195   2HB   ALA  21          2HB       ALA  21  -4.433  -1.126  -3.361
  196   3HB   ALA  21          1HB       ALA  21  -6.099  -0.624  -3.072
  197    QB   ALA  21           QB       ALA  21  -5.382  -1.346  -3.064
  198    HA   PRO  22           HA       PRO  22  -3.214  -0.936  -7.927
  199   1HB   PRO  22          2HB       PRO  22  -4.649  -0.671 -10.218
  200   2HB   PRO  22          1HB       PRO  22  -4.093  -2.228  -9.606
  201   1HG   PRO  22          2HG       PRO  22  -6.809  -1.003  -9.438
  202   2HG   PRO  22          1HG       PRO  22  -6.357  -2.701  -9.655
  203   1HD   PRO  22          2HD       PRO  22  -7.197  -1.620  -7.271
  204   2HD   PRO  22          1HD       PRO  22  -6.183  -3.071  -7.408
  205    QB   PRO  22           QB       PRO  22  -4.371  -1.449  -9.912
  206    QG   PRO  22           QG       PRO  22  -6.583  -1.852  -9.546
  207    QD   PRO  22           QD       PRO  22  -6.690  -2.346  -7.339
  208    H    GLY  23           H        GLY  23  -5.763   0.810  -6.702
  209   1HA   GLY  23          2HA       GLY  23  -5.248   3.222  -8.360
  210   2HA   GLY  23          1HA       GLY  23  -6.560   3.044  -7.194
  211    QA   GLY  23           QA       GLY  23  -5.904   3.133  -7.777
  212    H    ALA  24           H        ALA  24  -5.164   2.157  -4.954
  213    HA   ALA  24           HA       ALA  24  -3.805   4.653  -4.172
  214   1HB   ALA  24          1HB       ALA  24  -5.473   3.616  -2.660
  215   2HB   ALA  24          3HB       ALA  24  -4.459   2.178  -2.543
  216   3HB   ALA  24          2HB       ALA  24  -3.884   3.717  -1.900
  217    QB   ALA  24           QB       ALA  24  -4.605   3.170  -2.368
  218    H    PHE  25           H        PHE  25  -3.051   1.158  -4.262
  219    HA   PHE  25           HA       PHE  25  -0.200   1.777  -3.737
  220   1HB   PHE  25          2HB       PHE  25  -1.899  -0.434  -3.211
  221   2HB   PHE  25          1HB       PHE  25  -0.734  -0.986  -4.411
  222    HD1  PHE  25          1HD       PHE  25  -0.992  -1.846  -1.442
  223    HD2  PHE  25          2HD       PHE  25   1.476   1.042  -3.448
  224    HE1  PHE  25          1HE       PHE  25   0.731  -2.094   0.322
  225    HE2  PHE  25          2HE       PHE  25   3.192   0.787  -1.672
  226    HZ   PHE  25           HZ       PHE  25   2.826  -0.775   0.203
  227    QB   PHE  25           QB       PHE  25  -1.317  -0.710  -3.811
  228    QD   PHE  25           QD       PHE  25   0.242  -0.402  -2.445
  229    QE   PHE  25           QE       PHE  25   1.962  -0.653  -0.675
  230    QR   PHE  25           QR       PHE  25   1.447  -0.577  -1.207
  231    H    ALA  26           H        ALA  26   1.317   1.738  -5.343
  232    HA   ALA  26           HA       ALA  26   0.847   0.373  -7.888
  233   1HB   ALA  26          3HB       ALA  26   0.024   3.047  -7.663
  234   2HB   ALA  26          2HB       ALA  26   1.575   3.118  -8.500
  235   3HB   ALA  26          1HB       ALA  26   0.261   2.143  -9.157
  236    QB   ALA  26           QB       ALA  26   0.620   2.769  -8.440
  237    H    MET  27           H        MET  27   2.801  -0.555  -8.278
  238    HA   MET  27           HA       MET  27   5.218   0.166  -6.975
  239   1HB   MET  27          2HB       MET  27   4.496  -1.547  -9.304
  240   2HB   MET  27          1HB       MET  27   6.190  -1.091  -9.133
  241   1HG   MET  27          2HG       MET  27   6.205  -1.972  -6.834
  242   2HG   MET  27          1HG       MET  27   4.505  -2.413  -6.986
  243   1HE   MET  27          3HE       MET  27   3.717  -3.532  -9.185
  244   2HE   MET  27          2HE       MET  27   4.965  -3.213 -10.388
  245   3HE   MET  27          1HE       MET  27   4.554  -4.876  -9.974
  246    QB   MET  27           QB       MET  27   5.343  -1.319  -9.218
  247    QG   MET  27           QG       MET  27   5.355  -2.193  -6.910
  248    QE   MET  27           QE       MET  27   4.412  -3.874  -9.849
  249    H    ASP  28           H        ASP  28   7.118   1.378  -7.754
  250    HA   ASP  28           HA       ASP  28   6.460   3.027 -10.175
  251   1HB   ASP  28          2HB       ASP  28   6.615   3.989  -7.580
  252   2HB   ASP  28          1HB       ASP  28   8.243   4.250  -8.197
  253    QB   ASP  28           QB       ASP  28   7.429   4.120  -7.888
  254    HA   PRO  29           HA       PRO  29  10.488   1.716 -11.348
  255   1HB   PRO  29          2HB       PRO  29  11.241   3.724 -13.018
  256   2HB   PRO  29          1HB       PRO  29   9.998   2.548 -13.441
  257   1HG   PRO  29          2HG       PRO  29   9.697   5.383 -12.686
  258   2HG   PRO  29          1HG       PRO  29   8.607   4.347 -13.616
  259   1HD   PRO  29          2HD       PRO  29   8.364   5.102 -10.888
  260   2HD   PRO  29          1HD       PRO  29   7.348   3.963 -11.778
  261    QB   PRO  29           QB       PRO  29  10.619   3.136 -13.230
  262    QG   PRO  29           QG       PRO  29   9.152   4.865 -13.151
  263    QD   PRO  29           QD       PRO  29   7.856   4.533 -11.333
  264    H    GLU  30           H        GLU  30   9.938   4.677  -9.742
  265    HA   GLU  30           HA       GLU  30  12.795   5.280  -9.278
  266   1HB   GLU  30          2HB       GLU  30  10.680   6.940  -9.410
  267   2HB   GLU  30          1HB       GLU  30  10.619   6.579  -7.685
  268   1HG   GLU  30          2HG       GLU  30  12.186   8.191  -7.443
  269   2HG   GLU  30          1HG       GLU  30  13.318   7.029  -8.136
  270    QB   GLU  30           QB       GLU  30  10.649   6.759  -8.548
  271    QG   GLU  30           QG       GLU  30  12.752   7.610  -7.790
  272    H    ILE  31           H        ILE  31   9.956   4.003  -7.641
  273    HA   ILE  31           HA       ILE  31  11.619   3.239  -5.324
  274    HB   ILE  31           HB       ILE  31   9.271   2.551  -4.410
  275   1HG1  ILE  31          2HG1      ILE  31   8.499   4.672  -6.421
  276   2HG1  ILE  31          1HG1      ILE  31   8.249   2.950  -6.704
  277   1HG2  ILE  31          2HG2      ILE  31  10.886   4.789  -4.143
  278   2HG2  ILE  31          1HG2      ILE  31   9.314   5.479  -4.549
  279   3HG2  ILE  31          3HG2      ILE  31   9.477   4.419  -3.149
  280   1HD1  ILE  31          3HD1      ILE  31   7.189   3.208  -4.209
  281   2HD1  ILE  31          2HD1      ILE  31   6.814   4.792  -4.888
  282   3HD1  ILE  31          1HD1      ILE  31   6.243   3.330  -5.692
  283    QG1  ILE  31           QG1      ILE  31   8.374   3.811  -6.563
  284    QG2  ILE  31           QG2      ILE  31   9.892   4.896  -3.947
  285    QD1  ILE  31           QD1      ILE  31   6.749   3.777  -4.930
  286    H    GLU  32           H        GLU  32  10.654   2.041  -8.217
  287    HA   GLU  32           HA       GLU  32  10.115  -0.131  -9.003
  288   1HB   GLU  32          2HB       GLU  32  12.622  -0.289  -7.343
  289   2HB   GLU  32          1HB       GLU  32  11.965  -1.757  -8.067
  290   1HG   GLU  32          2HG       GLU  32  12.360   0.726  -9.729
  291   2HG   GLU  32          1HG       GLU  32  13.701  -0.382  -9.436
  292    QB   GLU  32           QB       GLU  32  12.293  -1.023  -7.705
  293    QG   GLU  32           QG       GLU  32  13.031   0.172  -9.583
  294    H    LYS  33           H        LYS  33   8.586   0.674  -6.760
  295    HA   LYS  33           HA       LYS  33   7.804  -1.991  -5.736
  296   1HB   LYS  33          2HB       LYS  33   8.997   0.101  -3.901
  297   2HB   LYS  33          1HB       LYS  33   8.048  -1.272  -3.330
  298   1HG   LYS  33          2HG       LYS  33   9.668  -2.779  -4.563
  299   2HG   LYS  33          1HG       LYS  33  10.675  -1.355  -4.832
  300   1HD   LYS  33          2HD       LYS  33   9.993  -1.333  -2.087
  301   2HD   LYS  33          1HD       LYS  33  10.465  -2.989  -2.466
  302   1HE   LYS  33          2HE       LYS  33  12.196  -0.927  -3.671
  303   2HE   LYS  33          1HE       LYS  33  12.231  -0.968  -1.908
  304   1HZ   LYS  33          3HZ       LYS  33  12.276  -3.601  -2.874
  305   2HZ   LYS  33          2HZ       LYS  33  13.471  -2.715  -3.694
  306   3HZ   LYS  33          1HZ       LYS  33  13.474  -2.780  -1.997
  307    QB   LYS  33           QB       LYS  33   8.522  -0.585  -3.615
  308    QG   LYS  33           QG       LYS  33  10.171  -2.067  -4.698
  309    QD   LYS  33           QD       LYS  33  10.229  -2.161  -2.277
  310    QE   LYS  33           QE       LYS  33  12.214  -0.948  -2.789
  311    QZ   LYS  33           QZ       LYS  33  13.074  -3.032  -2.855
  312    H    ALA  34           H        ALA  34   5.720  -1.981  -4.817
  313    HA   ALA  34           HA       ALA  34   3.904   0.008  -5.708
  314   1HB   ALA  34          2HB       ALA  34   3.548  -2.458  -4.790
  315   2HB   ALA  34          1HB       ALA  34   3.254  -1.606  -3.273
  316   3HB   ALA  34          3HB       ALA  34   2.258  -1.260  -4.687
  317    QB   ALA  34           QB       ALA  34   3.020  -1.775  -4.250
  318    H    TYR  35           H        TYR  35   2.968   1.753  -4.673
  319    HA   TYR  35           HA       TYR  35   3.800   2.433  -1.910
  320   1HB   TYR  35          2HB       TYR  35   4.562   4.635  -2.465
  321   2HB   TYR  35          1HB       TYR  35   5.437   3.500  -3.477
  322    HD1  TYR  35          1HD       TYR  35   5.270   6.399  -4.090
  323    HD2  TYR  35          2HD       TYR  35   2.660   3.195  -5.246
  324    HE1  TYR  35          1HE       TYR  35   4.588   7.668  -6.108
  325    HE2  TYR  35          2HE       TYR  35   1.984   4.456  -7.251
  326    HH   TYR  35           HH       TYR  35   2.853   6.242  -8.677
  327    QB   TYR  35           QB       TYR  35   4.999   4.067  -2.971
  328    QD   TYR  35           QD       TYR  35   3.965   4.797  -4.668
  329    QE   TYR  35           QE       TYR  35   3.286   6.062  -6.679
  330    QR   TYR  35           QR       TYR  35   3.626   5.429  -5.674
  331    H    VAL  36           H        VAL  36   2.257   3.537  -0.767
  332    HA   VAL  36           HA       VAL  36  -0.423   3.617  -1.887
  333    HB   VAL  36           HB       VAL  36   0.130   3.137   0.536
  334   1HG1  VAL  36          2HG1      VAL  36   1.400   5.706   0.260
  335   2HG1  VAL  36          1HG1      VAL  36   0.147   5.810   1.497
  336   3HG1  VAL  36          3HG1      VAL  36   1.431   4.608   1.637
  337   1HG2  VAL  36          1HG2      VAL  36  -2.119   4.035  -0.446
  338   2HG2  VAL  36          3HG2      VAL  36  -1.885   4.074   1.302
  339   3HG2  VAL  36          2HG2      VAL  36  -1.671   5.542   0.351
  340    QG1  VAL  36           QG1      VAL  36   0.992   5.375   1.131
  341    QG2  VAL  36           QG2      VAL  36  -1.892   4.550   0.402
  342    QQG  VAL  36           QQG      VAL  36  -0.450   4.963   0.767
  343    H    LYS  37           H        LYS  37   0.698   5.118  -3.648
  344    HA   LYS  37           HA       LYS  37   1.105   7.892  -2.929
  345   1HB   LYS  37          2HB       LYS  37   1.291   8.294  -5.286
  346   2HB   LYS  37          1HB       LYS  37   2.028   6.724  -4.967
  347   1HG   LYS  37          2HG       LYS  37   0.677   6.032  -6.676
  348   2HG   LYS  37          1HG       LYS  37  -0.549   5.972  -5.409
  349   1HD   LYS  37          2HD       LYS  37  -1.276   8.240  -5.958
  350   2HD   LYS  37          1HD       LYS  37  -0.004   8.377  -7.173
  351   1HE   LYS  37          2HE       LYS  37  -0.996   6.552  -8.465
  352   2HE   LYS  37          1HE       LYS  37  -2.230   6.320  -7.228
  353   1HZ   LYS  37          1HZ       LYS  37  -2.884   8.677  -7.624
  354   2HZ   LYS  37          3HZ       LYS  37  -1.843   8.692  -8.963
  355   3HZ   LYS  37          2HZ       LYS  37  -3.175   7.637  -8.934
  356    QB   LYS  37           QB       LYS  37   1.659   7.509  -5.127
  357    QG   LYS  37           QG       LYS  37   0.064   6.002  -6.042
  358    QD   LYS  37           QD       LYS  37  -0.640   8.308  -6.566
  359    QE   LYS  37           QE       LYS  37  -1.613   6.436  -7.847
  360    QZ   LYS  37           QZ       LYS  37  -2.634   8.336  -8.507
  361    H    ASP  38           H        ASP  38  -1.728   6.017  -3.530
  362    HA   ASP  38           HA       ASP  38  -3.316   8.540  -3.455
  363   1HB   ASP  38          2HB       ASP  38  -3.297   7.775  -5.776
  364   2HB   ASP  38          1HB       ASP  38  -3.802   6.163  -5.271
  365    QB   ASP  38           QB       ASP  38  -3.550   6.969  -5.524
  366    H    VAL  39           H        VAL  39  -3.369   7.828  -1.130
  367    HA   VAL  39           HA       VAL  39  -4.496   5.432  -0.194
  368    HB   VAL  39           HB       VAL  39  -5.047   6.619   1.832
  369   1HG1  VAL  39          1HG1      VAL  39  -2.554   7.170   0.393
  370   2HG1  VAL  39          3HG1      VAL  39  -2.913   8.372   1.630
  371   3HG1  VAL  39          2HG1      VAL  39  -2.795   6.667   2.064
  372   1HG2  VAL  39          3HG2      VAL  39  -5.497   8.805  -0.067
  373   2HG2  VAL  39          2HG2      VAL  39  -6.179   8.560   1.541
  374   3HG2  VAL  39          1HG2      VAL  39  -4.595   9.314   1.360
  375    QG1  VAL  39           QG1      VAL  39  -2.754   7.403   1.362
  376    QG2  VAL  39           QG2      VAL  39  -5.424   8.893   0.944
  377    QQG  VAL  39           QQG      VAL  39  -4.089   8.148   1.153
  378    H    GLU  40           H        GLU  40  -6.003   8.095  -1.844
  379    HA   GLU  40           HA       GLU  40  -8.723   7.176  -1.146
  380   1HB   GLU  40          2HB       GLU  40  -7.831   9.371  -3.043
  381   2HB   GLU  40          1HB       GLU  40  -9.477   9.093  -2.472
  382   1HG   GLU  40          2HG       GLU  40  -9.080  10.162  -0.524
  383   2HG   GLU  40          1HG       GLU  40  -7.574   9.282  -0.267
  384    QB   GLU  40           QB       GLU  40  -8.654   9.232  -2.758
  385    QG   GLU  40           QG       GLU  40  -8.327   9.722  -0.396
  386    H    GLY  41           H        GLY  41  -6.402   6.110  -3.210
  387   1HA   GLY  41          2HA       GLY  41  -8.236   5.615  -5.492
  388   2HA   GLY  41          1HA       GLY  41  -6.499   5.295  -5.480
  389    QA   GLY  41           QA       GLY  41  -7.368   5.455  -5.486
  390    H    ALA  42           H        ALA  42  -8.738   4.321  -2.927
  391    HA   ALA  42           HA       ALA  42  -9.218   1.656  -3.808
  392   1HB   ALA  42          3HB       ALA  42  -6.721   1.518  -3.591
  393   2HB   ALA  42          2HB       ALA  42  -6.893   1.885  -1.875
  394   3HB   ALA  42          1HB       ALA  42  -7.577   0.397  -2.531
  395    QB   ALA  42           QB       ALA  42  -7.064   1.267  -2.666
  396    H    SER  43           H        SER  43 -10.914   1.011  -2.571
  397    HA   SER  43           HA       SER  43 -11.857   2.485  -0.335
  398   1HB   SER  43          2HB       SER  43 -12.680  -0.307  -0.262
  399   2HB   SER  43          1HB       SER  43 -13.650   1.133  -0.560
  400    HG   SER  43           HG       SER  43 -13.702   0.333  -2.516
  401    QB   SER  43           QB       SER  43 -13.165   0.413  -0.411
  402    H    GLN  44           H        GLN  44 -12.116   1.563   1.911
  403    HA   GLN  44           HA       GLN  44  -9.521   0.848   2.972
  404   1HB   GLN  44          2HB       GLN  44 -12.203   1.476   4.048
  405   2HB   GLN  44          1HB       GLN  44 -11.240   0.382   5.042
  406   1HG   GLN  44          2HG       GLN  44  -9.352   2.222   4.412
  407   2HG   GLN  44          1HG       GLN  44 -10.789   3.244   4.401
  408   1HE2  GLN  44          2HE2      GLN  44 -10.109   1.250   7.939
  409   2HE2  GLN  44          1HE2      GLN  44  -9.927   0.415   6.472
  410    QB   GLN  44           QB       GLN  44 -11.722   0.929   4.545
  411    QG   GLN  44           QG       GLN  44 -10.070   2.733   4.406
  412    QE2  GLN  44           QE2      GLN  44 -10.018   0.833   7.205
  413    H    GLU  45           H        GLU  45 -12.524  -0.938   2.333
  414    HA   GLU  45           HA       GLU  45 -11.604  -3.386   3.591
  415   1HB   GLU  45          2HB       GLU  45 -13.795  -2.782   1.589
  416   2HB   GLU  45          1HB       GLU  45 -13.478  -4.411   2.185
  417   1HG   GLU  45          2HG       GLU  45 -13.818  -2.164   4.148
  418   2HG   GLU  45          1HG       GLU  45 -15.243  -2.902   3.417
  419    QB   GLU  45           QB       GLU  45 -13.636  -3.596   1.887
  420    QG   GLU  45           QG       GLU  45 -14.531  -2.533   3.782
  421    H    GLU  46           H        GLU  46 -10.997  -1.850   0.557
  422    HA   GLU  46           HA       GLU  46  -9.984  -4.379  -0.627
  423   1HB   GLU  46          2HB       GLU  46  -9.994  -3.286  -2.702
  424   2HB   GLU  46          1HB       GLU  46 -11.360  -2.528  -1.892
  425   1HG   GLU  46          2HG       GLU  46 -10.103  -0.574  -1.371
  426   2HG   GLU  46          1HG       GLU  46  -8.581  -1.354  -1.797
  427    QB   GLU  46           QB       GLU  46 -10.677  -2.907  -2.297
  428    QG   GLU  46           QG       GLU  46  -9.342  -0.964  -1.584
  429    H    VAL  47           H        VAL  47  -9.071  -1.297   0.660
  430    HA   VAL  47           HA       VAL  47  -6.268  -1.406   0.052
  431    HB   VAL  47           HB       VAL  47  -7.891  -0.012   2.193
  432   1HG1  VAL  47          2HG1      VAL  47  -4.982  -0.431   1.988
  433   2HG1  VAL  47          1HG1      VAL  47  -5.472   1.250   2.201
  434   3HG1  VAL  47          3HG1      VAL  47  -5.960   0.034   3.380
  435   1HG2  VAL  47          3HG2      VAL  47  -7.498   0.539  -0.479
  436   2HG2  VAL  47          2HG2      VAL  47  -7.926   1.739   0.741
  437   3HG2  VAL  47          1HG2      VAL  47  -6.237   1.508   0.285
  438    QG1  VAL  47           QG1      VAL  47  -5.472   0.284   2.523
  439    QG2  VAL  47           QG2      VAL  47  -7.220   1.262   0.183
  440    QQG  VAL  47           QQG      VAL  47  -6.346   0.773   1.353
  441    H    GLU  48           H        GLU  48  -8.202  -2.401   2.893
  442    HA   GLU  48           HA       GLU  48  -6.063  -3.497   4.395
  443   1HB   GLU  48          2HB       GLU  48  -8.892  -3.168   4.524
  444   2HB   GLU  48          1HB       GLU  48  -8.532  -4.849   4.842
  445   1HG   GLU  48          2HG       GLU  48  -6.583  -3.589   6.287
  446   2HG   GLU  48          1HG       GLU  48  -7.925  -2.456   6.430
  447    QB   GLU  48           QB       GLU  48  -8.712  -4.008   4.683
  448    QG   GLU  48           QG       GLU  48  -7.254  -3.022   6.359
  449    H    GLU  49           H        GLU  49  -8.514  -5.007   2.252
  450    HA   GLU  49           HA       GLU  49  -7.588  -7.664   2.370
  451   1HB   GLU  49          2HB       GLU  49  -9.055  -6.025   0.359
  452   2HB   GLU  49          1HB       GLU  49  -8.322  -7.518  -0.228
  453   1HG   GLU  49          2HG       GLU  49  -9.550  -8.853   1.312
  454   2HG   GLU  49          1HG       GLU  49 -10.029  -7.447   2.264
  455    QB   GLU  49           QB       GLU  49  -8.688  -6.772   0.065
  456    QG   GLU  49           QG       GLU  49  -9.790  -8.150   1.788
  457    H    ALA  50           H        ALA  50  -6.452  -4.938   0.409
  458    HA   ALA  50           HA       ALA  50  -4.428  -6.463  -1.009
  459   1HB   ALA  50          1HB       ALA  50  -5.509  -4.084  -1.510
  460   2HB   ALA  50          3HB       ALA  50  -4.164  -3.512  -0.523
  461   3HB   ALA  50          2HB       ALA  50  -3.849  -4.433  -1.994
  462    QB   ALA  50           QB       ALA  50  -4.507  -4.009  -1.342
  463    H    MET  51           H        MET  51  -4.593  -4.625   1.983
  464    HA   MET  51           HA       MET  51  -1.736  -4.586   2.475
  465   1HB   MET  51          2HB       MET  51  -3.316  -2.947   3.473
  466   2HB   MET  51          1HB       MET  51  -4.046  -4.247   4.413
  467   1HG   MET  51          2HG       MET  51  -1.643  -4.695   5.274
  468   2HG   MET  51          1HG       MET  51  -1.275  -3.087   4.652
  469   1HE   MET  51          2HE       MET  51  -2.988  -1.256   4.857
  470   2HE   MET  51          1HE       MET  51  -3.602  -0.731   6.423
  471   3HE   MET  51          3HE       MET  51  -1.859  -0.810   6.133
  472    QB   MET  51           QB       MET  51  -3.681  -3.597   3.943
  473    QG   MET  51           QG       MET  51  -1.459  -3.891   4.963
  474    QE   MET  51           QE       MET  51  -2.817  -0.932   5.804
  475    H    ASP  52           H        ASP  52  -4.304  -6.881   3.074
  476    HA   ASP  52           HA       ASP  52  -2.711  -8.382   5.043
  477   1HB   ASP  52          2HB       ASP  52  -5.181  -8.283   5.235
  478   2HB   ASP  52          1HB       ASP  52  -5.323  -9.107   3.681
  479    QB   ASP  52           QB       ASP  52  -5.252  -8.695   4.458
  480    H    THR  53           H        THR  53  -3.345  -8.441   1.605
  481    HA   THR  53           HA       THR  53  -2.453 -11.166   1.179
  482    HB   THR  53           HB       THR  53  -3.889  -9.876  -0.426
  483    HG1  THR  53          1HG       THR  53  -2.534 -11.693  -1.030
  484   1HG2  THR  53          3HG2      THR  53  -1.415  -8.213  -0.488
  485   2HG2  THR  53          2HG2      THR  53  -2.265  -8.452  -2.014
  486   3HG2  THR  53          1HG2      THR  53  -3.103  -7.728  -0.644
  487    QG2  THR  53           QG2      THR  53  -2.261  -8.131  -1.049
  488    H    CYS  54           H        CYS  54  -0.798  -8.406   2.114
  489    HA   CYS  54           HA       CYS  54   1.642  -8.854   0.573
  490   1HB   CYS  54          1HB       CYS  54   0.906  -6.623   1.562
  491   2HB   CYS  54          2HB       CYS  54   1.369  -7.268   3.135
  492    QB   CYS  54           QB       CYS  54   1.137  -6.945   2.349
  493    HA   PRO  55           HA       PRO  55   3.264 -11.955   3.229
  494   1HB   PRO  55          2HB       PRO  55   5.854 -11.878   2.406
  495   2HB   PRO  55          1HB       PRO  55   4.562 -12.612   1.456
  496   1HG   PRO  55          2HG       PRO  55   5.902  -9.982   1.086
  497   2HG   PRO  55          1HG       PRO  55   5.220 -11.074  -0.124
  498   1HD   PRO  55          2HD       PRO  55   4.004  -8.757   0.807
  499   2HD   PRO  55          1HD       PRO  55   3.175 -10.090  -0.021
  500    QB   PRO  55           QB       PRO  55   5.208 -12.245   1.931
  501    QG   PRO  55           QG       PRO  55   5.561 -10.528   0.481
  502    QD   PRO  55           QD       PRO  55   3.589  -9.423   0.393
  503    H    VAL  56           H        VAL  56   5.879  -9.541   2.862
  504    HA   VAL  56           HA       VAL  56   6.434  -9.593   5.716
  505    HB   VAL  56           HB       VAL  56   7.427  -7.458   3.838
  506   1HG1  VAL  56          2HG1      VAL  56   7.975  -8.281   6.494
  507   2HG1  VAL  56          1HG1      VAL  56   9.377  -8.742   5.527
  508   3HG1  VAL  56          3HG1      VAL  56   8.835  -7.064   5.550
  509   1HG2  VAL  56          3HG2      VAL  56   7.943 -10.396   3.749
  510   2HG2  VAL  56          2HG2      VAL  56   7.969  -9.213   2.442
  511   3HG2  VAL  56          1HG2      VAL  56   9.333  -9.329   3.555
  512    QG1  VAL  56           QG1      VAL  56   8.729  -8.029   5.857
  513    QG2  VAL  56           QG2      VAL  56   8.415  -9.646   3.248
  514    QQG  VAL  56           QQG      VAL  56   8.572  -8.837   4.553
  515    H    GLN  57           H        GLN  57   4.316  -7.847   3.657
  516    HA   GLN  57           HA       GLN  57   2.677  -6.254   4.191
  517   1HB   GLN  57          2HB       GLN  57   3.415  -7.393   6.717
  518   2HB   GLN  57          1HB       GLN  57   3.204  -5.654   6.918
  519   1HG   GLN  57          2HG       GLN  57   0.976  -5.709   6.151
  520   2HG   GLN  57          1HG       GLN  57   1.185  -7.287   5.387
  521   1HE2  GLN  57          2HE2      GLN  57   1.285  -8.877   8.766
  522   2HE2  GLN  57          1HE2      GLN  57   2.357  -8.777   7.453
  523    QB   GLN  57           QB       GLN  57   3.310  -6.523   6.817
  524    QG   GLN  57           QG       GLN  57   1.081  -6.498   5.769
  525    QE2  GLN  57           QE2      GLN  57   1.821  -8.827   8.109
  526    H    CYS  58           H        CYS  58   5.462  -5.461   6.319
  527    HA   CYS  58           HA       CYS  58   6.497  -3.360   6.628
  528   1HB   CYS  58          2HB       CYS  58   6.842  -2.514   3.955
  529   2HB   CYS  58          1HB       CYS  58   8.004  -3.381   4.952
  530    HG   CYS  58           HG       CYS  58   7.268  -5.600   3.885
  531    QB   CYS  58           QB       CYS  58   7.423  -2.947   4.453
  532    H    ILE  59           H        ILE  59   3.643  -3.222   6.673
  533    HA   ILE  59           HA       ILE  59   3.205  -0.548   5.403
  534    HB   ILE  59           HB       ILE  59   1.832  -2.467   4.473
  535   1HG1  ILE  59          2HG1      ILE  59  -0.038  -0.566   5.831
  536   2HG1  ILE  59          1HG1      ILE  59   1.187   0.099   4.753
  537   1HG2  ILE  59          2HG2      ILE  59   1.594  -3.512   6.804
  538   2HG2  ILE  59          1HG2      ILE  59   0.362  -2.287   7.109
  539   3HG2  ILE  59          3HG2      ILE  59   0.135  -3.465   5.815
  540   1HD1  ILE  59          1HD1      ILE  59   0.051  -2.171   3.459
  541   2HD1  ILE  59          3HD1      ILE  59  -1.278  -1.175   4.052
  542   3HD1  ILE  59          2HD1      ILE  59  -0.065  -0.478   2.980
  543    QG1  ILE  59           QG1      ILE  59   0.574  -0.234   5.292
  544    QG2  ILE  59           QG2      ILE  59   0.697  -3.088   6.576
  545    QD1  ILE  59           QD1      ILE  59  -0.431  -1.274   3.497
  546    H    HIS  60           H        HIS  60   1.813   0.917   6.631
  547    HA   HIS  60           HA       HIS  60   1.149   0.243   9.401
  548   1HB   HIS  60          2HB       HIS  60   3.160   2.453   8.926
  549   2HB   HIS  60          1HB       HIS  60   2.617   1.807  10.474
  550    HD1  HIS  60          1HD       HIS  60   4.647   0.818   7.427
  551    HD2  HIS  60          2HD       HIS  60   4.001  -0.466  11.340
  552    HE1  HIS  60          1HE       HIS  60   6.345  -1.008   7.872
  553    QB   HIS  60           QB       HIS  60   2.888   2.130   9.700
  554    H    TRP  61           H        TRP  61  -0.606   1.450   9.999
  555    HA   TRP  61           HA       TRP  61  -1.756   3.347   8.130
  556   1HB   TRP  61          2HB       TRP  61  -2.480   2.610  10.978
  557   2HB   TRP  61          1HB       TRP  61  -3.423   3.709   9.981
  558    HD1  TRP  61           HD       TRP  61  -2.104   0.071   9.863
  559    HE1  TRP  61          1HE       TRP  61  -3.800  -1.335   8.517
  560    HE3  TRP  61          3HE       TRP  61  -5.338   3.730   8.484
  561    HZ2  TRP  61          2HZ       TRP  61  -6.229  -0.940   7.037
  562    HZ3  TRP  61          3HZ       TRP  61  -7.341   3.211   7.106
  563    HH2  TRP  61           HH       TRP  61  -7.788   0.879   6.384
  564    QB   TRP  61           QB       TRP  61  -2.951   3.160  10.480
  565    H    GLU  62           H        GLU  62  -2.407   5.604   8.937
  566    HA   GLU  62           HA       GLU  62  -0.293   6.769  10.688
  567   1HB   GLU  62          2HB       GLU  62   0.489   7.225   8.464
  568   2HB   GLU  62          1HB       GLU  62  -1.120   7.717   7.933
  569   1HG   GLU  62          2HG       GLU  62  -0.773   9.825   8.649
  570   2HG   GLU  62          1HG       GLU  62  -0.315   9.250  10.252
  571    QB   GLU  62           QB       GLU  62  -0.316   7.471   8.199
  572    QG   GLU  62           QG       GLU  62  -0.544   9.538   9.451
  573    H    ASP  63           H        ASP  63  -1.421   7.621  12.364
  574    HA   ASP  63           HA       ASP  63  -4.071   8.869  11.795
  575   1HB   ASP  63          2HB       ASP  63  -3.622   6.983  13.603
  576   2HB   ASP  63          1HB       ASP  63  -3.074   8.350  14.574
  577    QB   ASP  63           QB       ASP  63  -3.348   7.667  14.089
  578    H    GLU  64           H        GLU  64  -1.592  10.240  11.194
  579    HA   GLU  64           HA       GLU  64  -0.655  12.368  11.494
  580   1HB   GLU  64          2HB       GLU  64  -3.390  12.545  12.391
  581   2HB   GLU  64          1HB       GLU  64  -2.368  13.560  13.409
  582   1HG   GLU  64          2HG       GLU  64  -3.080  14.891  11.519
  583   2HG   GLU  64          1HG       GLU  64  -1.367  14.526  11.308
  584    QB   GLU  64           QB       GLU  64  -2.879  13.053  12.900
  585    QG   GLU  64           QG       GLU  64  -2.223  14.709  11.414
   
  No H/Q in entry =         585
  Start of MODEL    4
    1    HA   ALA   1           HA       ALA   1 -12.885   5.673   9.269
    2   1HB   ALA   1          3HB       ALA   1 -13.638   8.097   8.361
    3   2HB   ALA   1          2HB       ALA   1 -11.890   8.328   8.359
    4   3HB   ALA   1          1HB       ALA   1 -12.607   7.015   7.425
    5    QB   ALA   1           QB       ALA   1 -12.712   7.813   8.049
    6    H    ARG   2           H        ARG   2 -10.500   5.833   8.279
    7    HA   ARG   2           HA       ARG   2  -8.557   6.856  10.257
    8   1HB   ARG   2          2HB       ARG   2  -8.680   3.915   9.521
    9   2HB   ARG   2          1HB       ARG   2  -7.502   4.676  10.592
   10   1HG   ARG   2          2HG       ARG   2  -9.411   5.397  12.064
   11   2HG   ARG   2          1HG       ARG   2 -10.488   4.436  11.050
   12   1HD   ARG   2          2HD       ARG   2  -8.052   3.061  12.055
   13   2HD   ARG   2          1HD       ARG   2  -9.288   3.440  13.254
   14    HE   ARG   2           HE       ARG   2 -10.851   2.264  11.462
   15   1HH1  ARG   2          1HH1      ARG   2 -10.463   0.203  13.177
   16   2HH1  ARG   2          2HH1      ARG   2  -9.363  -0.909  12.432
   17   1HH2  ARG   2          1HH2      ARG   2  -8.193   1.388  10.113
   18   2HH2  ARG   2          2HH2      ARG   2  -8.077  -0.238  10.698
   19    QB   ARG   2           QB       ARG   2  -8.091   4.295  10.056
   20    QG   ARG   2           QG       ARG   2  -9.949   4.917  11.557
   21    QD   ARG   2           QD       ARG   2  -8.670   3.250  12.655
   22    QH1  ARG   2           QH1      ARG   2  -9.913  -0.353  12.804
   23    QH2  ARG   2           QH2      ARG   2  -8.135   0.575  10.405
   24    H    LYS   3           H        LYS   3  -6.383   6.919   9.383
   25    HA   LYS   3           HA       LYS   3  -6.373   6.813   6.407
   26   1HB   LYS   3          2HB       LYS   3  -5.501   8.767   8.179
   27   2HB   LYS   3          1HB       LYS   3  -4.009   7.967   7.683
   28   1HG   LYS   3          2HG       LYS   3  -4.787   8.200   5.288
   29   2HG   LYS   3          1HG       LYS   3  -6.104   9.210   5.884
   30   1HD   LYS   3          2HD       LYS   3  -4.744  10.995   6.109
   31   2HD   LYS   3          1HD       LYS   3  -3.543  10.046   6.986
   32   1HE   LYS   3          2HE       LYS   3  -2.227  10.059   5.162
   33   2HE   LYS   3          1HE       LYS   3  -3.476   9.182   4.277
   34   1HZ   LYS   3          1HZ       LYS   3  -3.612  12.110   4.655
   35   2HZ   LYS   3          3HZ       LYS   3  -2.753  11.423   3.363
   36   3HZ   LYS   3          2HZ       LYS   3  -4.425  11.151   3.512
   37    QB   LYS   3           QB       LYS   3  -4.755   8.367   7.931
   38    QG   LYS   3           QG       LYS   3  -5.446   8.705   5.586
   39    QD   LYS   3           QD       LYS   3  -4.143  10.521   6.547
   40    QE   LYS   3           QE       LYS   3  -2.852   9.621   4.720
   41    QZ   LYS   3           QZ       LYS   3  -3.596  11.561   3.843
   42    H    PHE   4           H        PHE   4  -3.589   6.641   6.029
   43    HA   PHE   4           HA       PHE   4  -2.148   4.697   7.372
   44   1HB   PHE   4          2HB       PHE   4  -2.656   2.663   5.898
   45   2HB   PHE   4          1HB       PHE   4  -3.875   3.064   7.106
   46    HD1  PHE   4          1HD       PHE   4  -2.983   3.450   3.510
   47    HD2  PHE   4          2HD       PHE   4  -6.087   3.677   6.471
   48    HE1  PHE   4          1HE       PHE   4  -4.679   3.696   1.717
   49    HE2  PHE   4          2HE       PHE   4  -7.779   3.927   4.680
   50    HZ   PHE   4           HZ       PHE   4  -7.077   3.934   2.302
   51    QB   PHE   4           QB       PHE   4  -3.265   2.863   6.502
   52    QD   PHE   4           QD       PHE   4  -4.535   3.563   4.991
   53    QE   PHE   4           QE       PHE   4  -6.229   3.811   3.198
   54    QR   PHE   4           QR       PHE   4  -5.721   3.737   3.736
   55    H    TYR   5           H        TYR   5  -0.815   3.282   5.536
   56    HA   TYR   5           HA       TYR   5  -0.384   4.379   2.973
   57   1HB   TYR   5          2HB       TYR   5   1.609   5.742   3.301
   58   2HB   TYR   5          1HB       TYR   5   0.304   6.424   4.256
   59    HD1  TYR   5          1HD       TYR   5   3.666   5.472   4.342
   60    HD2  TYR   5          2HD       TYR   5   0.092   5.327   6.720
   61    HE1  TYR   5          1HE       TYR   5   5.038   5.191   6.389
   62    HE2  TYR   5          2HE       TYR   5   1.463   5.047   8.766
   63    HH   TYR   5           HH       TYR   5   4.582   5.760   9.000
   64    QB   TYR   5           QB       TYR   5   0.956   6.083   3.779
   65    QD   TYR   5           QD       TYR   5   1.879   5.399   5.531
   66    QE   TYR   5           QE       TYR   5   3.251   5.119   7.578
   67    QR   TYR   5           QR       TYR   5   2.565   5.259   6.554
   68    H    VAL   6           H        VAL   6   2.254   3.937   2.560
   69    HA   VAL   6           HA       VAL   6   2.814   1.407   4.033
   70    HB   VAL   6           HB       VAL   6   3.566   1.373   1.183
   71   1HG1  VAL   6          3HG1      VAL   6   2.775  -0.400   3.403
   72   2HG1  VAL   6          2HG1      VAL   6   2.229  -0.924   1.815
   73   3HG1  VAL   6          1HG1      VAL   6   3.947  -0.663   2.116
   74   1HG2  VAL   6          2HG2      VAL   6   0.773   1.829   2.045
   75   2HG2  VAL   6          1HG2      VAL   6   1.488   1.963   0.440
   76   3HG2  VAL   6          3HG2      VAL   6   0.983   0.392   1.055
   77    QG1  VAL   6           QG1      VAL   6   2.984  -0.662   2.445
   78    QG2  VAL   6           QG2      VAL   6   1.081   1.395   1.180
   79    QQG  VAL   6           QQG      VAL   6   2.033   0.366   1.812
   80    H    ASP   7           H        ASP   7   5.017   0.628   3.689
   81    HA   ASP   7           HA       ASP   7   6.905   2.900   3.364
   82   1HB   ASP   7          2HB       ASP   7   6.871   0.509   5.143
   83   2HB   ASP   7          1HB       ASP   7   8.432   1.127   4.613
   84    QB   ASP   7           QB       ASP   7   7.652   0.818   4.878
   85    H    GLN   8           H        GLN   8   7.091   2.703   1.155
   86    HA   GLN   8           HA       GLN   8   7.600   0.227  -0.199
   87   1HB   GLN   8          2HB       GLN   8   8.637   2.883  -1.141
   88   2HB   GLN   8          1HB       GLN   8   8.081   1.500  -2.071
   89   1HG   GLN   8          2HG       GLN   8   6.141   2.690  -2.232
   90   2HG   GLN   8          1HG       GLN   8   5.846   2.058  -0.613
   91   1HE2  GLN   8          2HE2      GLN   8   5.557   5.414   0.460
   92   2HE2  GLN   8          1HE2      GLN   8   4.798   3.904   0.297
   93    QB   GLN   8           QB       GLN   8   8.359   2.192  -1.606
   94    QG   GLN   8           QG       GLN   8   5.993   2.374  -1.423
   95    QE2  GLN   8           QE2      GLN   8   5.178   4.659   0.378
   96    H    ASP   9           H        ASP   9   9.189   0.150   1.963
   97    HA   ASP   9           HA       ASP   9  11.960   0.613   0.947
   98   1HB   ASP   9          2HB       ASP   9  10.998   1.513   3.285
   99   2HB   ASP   9          1HB       ASP   9  11.463  -0.108   3.803
  100    QB   ASP   9           QB       ASP   9  11.231   0.703   3.544
  101    H    GLU  10           H        GLU  10   9.799  -1.714   2.509
  102    HA   GLU  10           HA       GLU  10  11.778  -3.880   1.989
  103   1HB   GLU  10          2HB       GLU  10   9.859  -3.374   4.074
  104   2HB   GLU  10          1HB       GLU  10   9.437  -4.883   3.263
  105   1HG   GLU  10          2HG       GLU  10  11.010  -5.323   5.097
  106   2HG   GLU  10          1HG       GLU  10  11.770  -5.675   3.545
  107    QB   GLU  10           QB       GLU  10   9.648  -4.128   3.669
  108    QG   GLU  10           QG       GLU  10  11.390  -5.499   4.321
  109    H    CYS  11           H        CYS  11   9.890  -2.425   0.039
  110    HA   CYS  11           HA       CYS  11   8.062  -4.577  -0.785
  111   1HB   CYS  11          1HB       CYS  11   7.216  -2.354  -1.083
  112   2HB   CYS  11          2HB       CYS  11   8.683  -1.839  -1.911
  113    QB   CYS  11           QB       CYS  11   7.950  -2.097  -1.497
  114    H    ILE  12           H        ILE  12   8.449  -6.015  -2.414
  115    HA   ILE  12           HA       ILE  12  11.077  -5.798  -3.810
  116    HB   ILE  12           HB       ILE  12  10.947  -8.189  -4.152
  117   1HG1  ILE  12          2HG1      ILE  12   8.231  -8.140  -2.811
  118   2HG1  ILE  12          1HG1      ILE  12   8.431  -8.131  -4.564
  119   1HG2  ILE  12          1HG2      ILE  12  11.090  -6.983  -1.653
  120   2HG2  ILE  12          3HG2      ILE  12   9.921  -8.283  -1.415
  121   3HG2  ILE  12          2HG2      ILE  12  11.538  -8.649  -2.018
  122   1HD1  ILE  12          1HD1      ILE  12   9.796 -10.215  -2.868
  123   2HD1  ILE  12          3HD1      ILE  12   8.122 -10.425  -3.385
  124   3HD1  ILE  12          2HD1      ILE  12   9.405 -10.276  -4.587
  125    QG1  ILE  12           QG1      ILE  12   8.331  -8.135  -3.688
  126    QG2  ILE  12           QG2      ILE  12  10.849  -7.972  -1.695
  127    QD1  ILE  12           QD1      ILE  12   9.108 -10.306  -3.613
  128    H    ALA  13           H        ALA  13   7.808  -5.238  -4.260
  129    HA   ALA  13           HA       ALA  13   6.671  -4.587  -6.216
  130   1HB   ALA  13          3HB       ALA  13   9.144  -4.089  -6.976
  131   2HB   ALA  13          2HB       ALA  13   8.941  -5.563  -7.922
  132   3HB   ALA  13          1HB       ALA  13   7.861  -4.193  -8.182
  133    QB   ALA  13           QB       ALA  13   8.649  -4.615  -7.694
  134    H    CYS  14           H        CYS  14   5.537  -6.657  -5.399
  135    HA   CYS  14           HA       CYS  14   5.954  -8.902  -7.312
  136   1HB   CYS  14          1HB       CYS  14   4.632 -10.258  -5.747
  137   2HB   CYS  14          2HB       CYS  14   6.010  -9.521  -4.937
  138    QB   CYS  14           QB       CYS  14   5.321  -9.890  -5.342
  139    H    GLU  15           H        GLU  15   3.921  -6.255  -6.729
  140    HA   GLU  15           HA       GLU  15   2.041  -5.559  -7.971
  141   1HB   GLU  15          2HB       GLU  15   3.174  -7.295  -9.670
  142   2HB   GLU  15          1HB       GLU  15   1.721  -8.215  -9.284
  143   1HG   GLU  15          2HG       GLU  15   0.311  -6.666 -10.253
  144   2HG   GLU  15          1HG       GLU  15   1.393  -5.314  -9.911
  145    QB   GLU  15           QB       GLU  15   2.448  -7.755  -9.477
  146    QG   GLU  15           QG       GLU  15   0.852  -5.990 -10.082
  147    H    SER  16           H        SER  16   2.184  -8.031  -5.748
  148    HA   SER  16           HA       SER  16  -0.446  -9.142  -5.847
  149   1HB   SER  16          2HB       SER  16   0.076  -9.149  -3.185
  150   2HB   SER  16          1HB       SER  16   0.758 -10.325  -4.306
  151    HG   SER  16           HG       SER  16   2.513  -9.512  -3.353
  152    QB   SER  16           QB       SER  16   0.417  -9.737  -3.745
  153    H    CYS  17           H        CYS  17   0.692  -6.669  -3.512
  154    HA   CYS  17           HA       CYS  17  -1.877  -5.823  -2.702
  155   1HB   CYS  17          1HB       CYS  17  -0.818  -3.916  -1.760
  156   2HB   CYS  17          2HB       CYS  17   0.414  -5.177  -1.722
  157    QB   CYS  17           QB       CYS  17  -0.202  -4.546  -1.741
  158    H    VAL  18           H        VAL  18   0.174  -4.612  -5.349
  159    HA   VAL  18           HA       VAL  18  -1.461  -2.487  -6.222
  160    HB   VAL  18           HB       VAL  18   0.057  -4.391  -8.031
  161   1HG1  VAL  18          1HG1      VAL  18  -1.525  -2.184  -8.612
  162   2HG1  VAL  18          3HG1      VAL  18   0.106  -1.514  -8.573
  163   3HG1  VAL  18          2HG1      VAL  18  -0.271  -2.852  -9.658
  164   1HG2  VAL  18          2HG2      VAL  18   0.970  -2.232  -6.148
  165   2HG2  VAL  18          1HG2      VAL  18   1.694  -3.807  -6.468
  166   3HG2  VAL  18          3HG2      VAL  18   1.855  -2.506  -7.649
  167    QG1  VAL  18           QG1      VAL  18  -0.563  -2.183  -8.948
  168    QG2  VAL  18           QG2      VAL  18   1.506  -2.848  -6.755
  169    QQG  VAL  18           QQG      VAL  18   0.472  -2.516  -7.852
  170    H    GLU  19           H        GLU  19  -2.030  -5.901  -6.327
  171    HA   GLU  19           HA       GLU  19  -4.065  -5.665  -8.438
  172   1HB   GLU  19          2HB       GLU  19  -2.510  -7.760  -7.714
  173   2HB   GLU  19          1HB       GLU  19  -3.949  -8.111  -6.755
  174   1HG   GLU  19          2HG       GLU  19  -4.405  -7.307  -9.581
  175   2HG   GLU  19          1HG       GLU  19  -3.692  -8.898  -9.322
  176    QB   GLU  19           QB       GLU  19  -3.229  -7.936  -7.235
  177    QG   GLU  19           QG       GLU  19  -4.049  -8.103  -9.452
  178    H    ILE  20           H        ILE  20  -3.935  -6.155  -4.933
  179    HA   ILE  20           HA       ILE  20  -6.878  -6.032  -4.801
  180    HB   ILE  20           HB       ILE  20  -4.940  -5.986  -2.493
  181   1HG1  ILE  20          2HG1      ILE  20  -6.091  -8.502  -2.899
  182   2HG1  ILE  20          1HG1      ILE  20  -5.283  -8.013  -4.371
  183   1HG2  ILE  20          2HG2      ILE  20  -7.730  -5.764  -2.668
  184   2HG2  ILE  20          1HG2      ILE  20  -7.408  -7.410  -2.122
  185   3HG2  ILE  20          3HG2      ILE  20  -6.779  -6.040  -1.207
  186   1HD1  ILE  20          3HD1      ILE  20  -3.334  -7.334  -2.806
  187   2HD1  ILE  20          2HD1      ILE  20  -4.127  -8.376  -1.625
  188   3HD1  ILE  20          1HD1      ILE  20  -3.561  -9.049  -3.155
  189    QG1  ILE  20           QG1      ILE  20  -5.687  -8.258  -3.635
  190    QG2  ILE  20           QG2      ILE  20  -7.306  -6.405  -1.999
  191    QD1  ILE  20           QD1      ILE  20  -3.674  -8.253  -2.529
  192    H    ALA  21           H        ALA  21  -4.869  -3.811  -5.693
  193    HA   ALA  21           HA       ALA  21  -6.407  -1.583  -4.778
  194   1HB   ALA  21          3HB       ALA  21  -5.107  -2.224  -2.655
  195   2HB   ALA  21          2HB       ALA  21  -3.662  -1.684  -3.510
  196   3HB   ALA  21          1HB       ALA  21  -4.969  -0.547  -3.184
  197    QB   ALA  21           QB       ALA  21  -4.579  -1.485  -3.117
  198    HA   PRO  22           HA       PRO  22  -3.349  -1.155  -8.288
  199   1HB   PRO  22          2HB       PRO  22  -5.145  -1.113 -10.325
  200   2HB   PRO  22          1HB       PRO  22  -4.413  -2.598  -9.719
  201   1HG   PRO  22          2HG       PRO  22  -7.130  -1.489  -9.188
  202   2HG   PRO  22          1HG       PRO  22  -6.624  -3.175  -9.367
  203   1HD   PRO  22          2HD       PRO  22  -7.131  -1.960  -6.951
  204   2HD   PRO  22          1HD       PRO  22  -6.082  -3.377  -7.159
  205    QB   PRO  22           QB       PRO  22  -4.779  -1.856 -10.022
  206    QG   PRO  22           QG       PRO  22  -6.877  -2.332  -9.277
  207    QD   PRO  22           QD       PRO  22  -6.606  -2.668  -7.055
  208    H    GLY  23           H        GLY  23  -5.808   0.516  -6.792
  209   1HA   GLY  23          2HA       GLY  23  -5.439   2.918  -8.537
  210   2HA   GLY  23          1HA       GLY  23  -6.847   2.654  -7.505
  211    QA   GLY  23           QA       GLY  23  -6.143   2.786  -8.021
  212    H    ALA  24           H        ALA  24  -5.080   1.602  -5.321
  213    HA   ALA  24           HA       ALA  24  -4.249   4.259  -4.271
  214   1HB   ALA  24          2HB       ALA  24  -4.772   1.614  -2.886
  215   2HB   ALA  24          1HB       ALA  24  -4.229   3.076  -2.063
  216   3HB   ALA  24          3HB       ALA  24  -5.805   3.042  -2.852
  217    QB   ALA  24           QB       ALA  24  -4.935   2.577  -2.600
  218    H    PHE  25           H        PHE  25  -3.065   0.900  -4.513
  219    HA   PHE  25           HA       PHE  25  -0.342   1.792  -3.775
  220   1HB   PHE  25          2HB       PHE  25  -1.809  -0.614  -3.527
  221   2HB   PHE  25          1HB       PHE  25  -0.548  -0.956  -4.707
  222    HD1  PHE  25          1HD       PHE  25  -0.959  -1.900  -1.698
  223    HD2  PHE  25          2HD       PHE  25   1.525   1.033  -3.616
  224    HE1  PHE  25          1HE       PHE  25   0.706  -2.118   0.127
  225    HE2  PHE  25          2HE       PHE  25   3.183   0.810  -1.783
  226    HZ   PHE  25           HZ       PHE  25   2.783  -0.760   0.075
  227    QB   PHE  25           QB       PHE  25  -1.178  -0.785  -4.117
  228    QD   PHE  25           QD       PHE  25   0.283  -0.433  -2.657
  229    QE   PHE  25           QE       PHE  25   1.944  -0.654  -0.828
  230    QR   PHE  25           QR       PHE  25   1.448  -0.587  -1.379
  231    H    ALA  26           H        ALA  26   1.355   1.907  -5.276
  232    HA   ALA  26           HA       ALA  26   1.119   0.788  -7.951
  233   1HB   ALA  26          1HB       ALA  26  -0.055   3.302  -7.567
  234   2HB   ALA  26          3HB       ALA  26   1.508   3.647  -8.306
  235   3HB   ALA  26          2HB       ALA  26   0.370   2.568  -9.113
  236    QB   ALA  26           QB       ALA  26   0.608   3.172  -8.329
  237    H    MET  27           H        MET  27   3.183   0.163  -8.354
  238    HA   MET  27           HA       MET  27   5.447   1.077  -6.895
  239   1HB   MET  27          2HB       MET  27   5.273  -1.077  -8.216
  240   2HB   MET  27          1HB       MET  27   5.493  -0.112  -9.676
  241   1HG   MET  27          2HG       MET  27   7.556   0.780  -8.093
  242   2HG   MET  27          1HG       MET  27   7.466  -0.923  -7.646
  243   1HE   MET  27          3HE       MET  27   6.535  -2.424  -9.395
  244   2HE   MET  27          2HE       MET  27   6.973  -2.461 -11.101
  245   3HE   MET  27          1HE       MET  27   8.118  -3.037  -9.893
  246    QB   MET  27           QB       MET  27   5.383  -0.595  -8.946
  247    QG   MET  27           QG       MET  27   7.511  -0.071  -7.870
  248    QE   MET  27           QE       MET  27   7.209  -2.641 -10.130
  249    H    ASP  28           H        ASP  28   7.226   2.523  -7.575
  250    HA   ASP  28           HA       ASP  28   6.382   4.324  -9.812
  251   1HB   ASP  28          2HB       ASP  28   6.358   5.066  -7.193
  252   2HB   ASP  28          1HB       ASP  28   8.026   5.453  -7.612
  253    QB   ASP  28           QB       ASP  28   7.192   5.260  -7.403
  254    HA   PRO  29           HA       PRO  29  10.481   3.457 -11.145
  255   1HB   PRO  29          2HB       PRO  29  10.974   5.596 -12.745
  256   2HB   PRO  29          1HB       PRO  29   9.844   4.316 -13.182
  257   1HG   PRO  29          2HG       PRO  29   9.281   7.075 -12.321
  258   2HG   PRO  29          1HG       PRO  29   8.259   5.955 -13.230
  259   1HD   PRO  29          2HD       PRO  29   8.096   6.610 -10.460
  260   2HD   PRO  29          1HD       PRO  29   7.121   5.433 -11.349
  261    QB   PRO  29           QB       PRO  29  10.409   4.956 -12.964
  262    QG   PRO  29           QG       PRO  29   8.770   6.515 -12.776
  263    QD   PRO  29           QD       PRO  29   7.608   6.021 -10.904
  264    H    GLU  30           H        GLU  30   9.718   6.266  -9.374
  265    HA   GLU  30           HA       GLU  30  12.549   7.029  -8.933
  266   1HB   GLU  30          2HB       GLU  30  10.359   8.286  -7.414
  267   2HB   GLU  30          1HB       GLU  30  11.788   9.028  -8.106
  268   1HG   GLU  30          2HG       GLU  30   9.376   8.060  -9.674
  269   2HG   GLU  30          1HG       GLU  30   9.756   9.743  -9.313
  270    QB   GLU  30           QB       GLU  30  11.074   8.657  -7.760
  271    QG   GLU  30           QG       GLU  30   9.566   8.902  -9.494
  272    H    ILE  31           H        ILE  31   9.852   5.405  -7.534
  273    HA   ILE  31           HA       ILE  31  11.402   4.860  -5.069
  274    HB   ILE  31           HB       ILE  31   9.437   4.654  -3.866
  275   1HG1  ILE  31          2HG1      ILE  31   8.171   3.938  -6.519
  276   2HG1  ILE  31          1HG1      ILE  31   8.332   2.930  -5.085
  277   1HG2  ILE  31          2HG2      ILE  31   9.665   6.959  -4.796
  278   2HG2  ILE  31          1HG2      ILE  31   8.606   6.495  -6.127
  279   3HG2  ILE  31          3HG2      ILE  31   7.989   6.516  -4.475
  280   1HD1  ILE  31          1HD1      ILE  31   6.850   4.553  -3.862
  281   2HD1  ILE  31          3HD1      ILE  31   6.571   5.375  -5.394
  282   3HD1  ILE  31          2HD1      ILE  31   6.042   3.706  -5.182
  283    QG1  ILE  31           QG1      ILE  31   8.252   3.434  -5.802
  284    QG2  ILE  31           QG2      ILE  31   8.754   6.657  -5.133
  285    QD1  ILE  31           QD1      ILE  31   6.488   4.545  -4.813
  286    H    GLU  32           H        GLU  32  10.773   3.649  -8.016
  287    HA   GLU  32           HA       GLU  32  10.420   1.474  -8.878
  288   1HB   GLU  32          2HB       GLU  32  12.854   1.134  -7.093
  289   2HB   GLU  32          1HB       GLU  32  12.467   0.167  -8.519
  290   1HG   GLU  32          2HG       GLU  32  12.888   1.943  -9.996
  291   2HG   GLU  32          1HG       GLU  32  12.701   3.161  -8.733
  292    QB   GLU  32           QB       GLU  32  12.660   0.651  -7.806
  293    QG   GLU  32           QG       GLU  32  12.794   2.552  -9.365
  294    H    LYS  33           H        LYS  33   8.695   1.792  -6.740
  295    HA   LYS  33           HA       LYS  33   8.325  -0.981  -5.936
  296   1HB   LYS  33          2HB       LYS  33   9.651   0.910  -4.056
  297   2HB   LYS  33          1HB       LYS  33   8.401  -0.136  -3.384
  298   1HG   LYS  33          2HG       LYS  33   9.830  -1.866  -3.376
  299   2HG   LYS  33          1HG       LYS  33  10.040  -1.713  -5.119
  300   1HD   LYS  33          2HD       LYS  33  11.889  -0.250  -4.883
  301   2HD   LYS  33          1HD       LYS  33  11.507   0.093  -3.195
  302   1HE   LYS  33          2HE       LYS  33  12.488  -1.833  -2.442
  303   2HE   LYS  33          1HE       LYS  33  11.999  -2.758  -3.862
  304   1HZ   LYS  33          2HZ       LYS  33  14.144  -0.706  -3.844
  305   2HZ   LYS  33          1HZ       LYS  33  14.412  -2.381  -3.737
  306   3HZ   LYS  33          3HZ       LYS  33  13.722  -1.721  -5.139
  307    QB   LYS  33           QB       LYS  33   9.026   0.387  -3.720
  308    QG   LYS  33           QG       LYS  33   9.935  -1.789  -4.248
  309    QD   LYS  33           QD       LYS  33  11.698  -0.078  -4.039
  310    QE   LYS  33           QE       LYS  33  12.243  -2.295  -3.152
  311    QZ   LYS  33           QZ       LYS  33  14.093  -1.603  -4.240
  312    H    ALA  34           H        ALA  34   6.268  -1.329  -5.029
  313    HA   ALA  34           HA       ALA  34   4.213   0.487  -5.712
  314   1HB   ALA  34          2HB       ALA  34   4.430  -2.075  -4.396
  315   2HB   ALA  34          1HB       ALA  34   3.228  -1.070  -3.586
  316   3HB   ALA  34          3HB       ALA  34   3.079  -1.408  -5.310
  317    QB   ALA  34           QB       ALA  34   3.579  -1.518  -4.431
  318    H    TYR  35           H        TYR  35   3.050   1.995  -4.558
  319    HA   TYR  35           HA       TYR  35   3.731   2.521  -1.723
  320   1HB   TYR  35          2HB       TYR  35   4.372   4.767  -2.015
  321   2HB   TYR  35          1HB       TYR  35   5.238   3.905  -3.274
  322    HD1  TYR  35          1HD       TYR  35   2.627   3.558  -5.050
  323    HD2  TYR  35          2HD       TYR  35   4.523   6.902  -3.147
  324    HE1  TYR  35          1HE       TYR  35   1.671   5.062  -6.759
  325    HE2  TYR  35          2HE       TYR  35   3.556   8.415  -4.856
  326    HH   TYR  35           HH       TYR  35   2.703   8.284  -7.151
  327    QB   TYR  35           QB       TYR  35   4.805   4.336  -2.644
  328    QD   TYR  35           QD       TYR  35   3.575   5.230  -4.099
  329    QE   TYR  35           QE       TYR  35   2.613   6.738  -5.807
  330    QR   TYR  35           QR       TYR  35   3.094   5.984  -4.953
  331    H    VAL  36           H        VAL  36   2.029   3.440  -0.570
  332    HA   VAL  36           HA       VAL  36  -0.574   3.369  -1.946
  333    HB   VAL  36           HB       VAL  36   0.375   3.396   0.888
  334   1HG1  VAL  36          3HG1      VAL  36  -2.095   4.758  -0.070
  335   2HG1  VAL  36          2HG1      VAL  36  -2.243   3.731   1.356
  336   3HG1  VAL  36          1HG1      VAL  36  -1.113   5.084   1.358
  337   1HG2  VAL  36          1HG2      VAL  36  -0.323   1.359  -0.467
  338   2HG2  VAL  36          3HG2      VAL  36  -1.148   1.555   1.080
  339   3HG2  VAL  36          2HG2      VAL  36  -1.967   1.996  -0.418
  340    QG1  VAL  36           QG1      VAL  36  -1.817   4.524   0.881
  341    QG2  VAL  36           QG2      VAL  36  -1.146   1.637   0.065
  342    QQG  VAL  36           QQG      VAL  36  -1.482   3.080   0.473
  343    H    LYS  37           H        LYS  37  -0.491   5.211  -3.280
  344    HA   LYS  37           HA       LYS  37  -0.112   7.829  -1.895
  345   1HB   LYS  37          2HB       LYS  37   0.321   8.779  -4.051
  346   2HB   LYS  37          1HB       LYS  37   1.223   7.266  -3.975
  347   1HG   LYS  37          2HG       LYS  37   0.109   6.473  -5.759
  348   2HG   LYS  37          1HG       LYS  37  -1.433   6.729  -4.942
  349   1HD   LYS  37          2HD       LYS  37  -1.339   9.135  -5.627
  350   2HD   LYS  37          1HD       LYS  37   0.119   8.776  -6.552
  351   1HE   LYS  37          2HE       LYS  37  -2.307   7.085  -7.017
  352   2HE   LYS  37          1HE       LYS  37  -2.271   8.707  -7.707
  353   1HZ   LYS  37          3HZ       LYS  37  -0.046   6.784  -8.048
  354   2HZ   LYS  37          2HZ       LYS  37  -1.350   6.870  -9.134
  355   3HZ   LYS  37          1HZ       LYS  37  -0.334   8.214  -8.913
  356    QB   LYS  37           QB       LYS  37   0.772   8.022  -4.013
  357    QG   LYS  37           QG       LYS  37  -0.662   6.601  -5.350
  358    QD   LYS  37           QD       LYS  37  -0.610   8.956  -6.090
  359    QE   LYS  37           QE       LYS  37  -2.289   7.896  -7.362
  360    QZ   LYS  37           QZ       LYS  37  -0.577   7.289  -8.698
  361    H    ASP  38           H        ASP  38  -2.567   5.827  -3.234
  362    HA   ASP  38           HA       ASP  38  -4.455   8.137  -3.038
  363   1HB   ASP  38          2HB       ASP  38  -4.073   7.552  -5.407
  364   2HB   ASP  38          1HB       ASP  38  -4.549   5.890  -5.071
  365    QB   ASP  38           QB       ASP  38  -4.311   6.721  -5.239
  366    H    VAL  39           H        VAL  39  -5.083   7.484  -0.921
  367    HA   VAL  39           HA       VAL  39  -5.760   4.842  -0.138
  368    HB   VAL  39           HB       VAL  39  -7.039   5.896   1.679
  369   1HG1  VAL  39          2HG1      VAL  39  -4.425   7.190   0.887
  370   2HG1  VAL  39          1HG1      VAL  39  -5.209   7.535   2.428
  371   3HG1  VAL  39          3HG1      VAL  39  -4.687   5.893   2.052
  372   1HG2  VAL  39          3HG2      VAL  39  -6.931   8.213  -0.215
  373   2HG2  VAL  39          2HG2      VAL  39  -8.257   7.668   0.812
  374   3HG2  VAL  39          1HG2      VAL  39  -6.904   8.553   1.515
  375    QG1  VAL  39           QG1      VAL  39  -4.774   6.873   1.789
  376    QG2  VAL  39           QG2      VAL  39  -7.364   8.145   0.704
  377    QQG  VAL  39           QQG      VAL  39  -6.069   7.509   1.247
  378    H    GLU  40           H        GLU  40  -7.732   7.369  -1.670
  379    HA   GLU  40           HA       GLU  40 -10.218   5.952  -1.525
  380   1HB   GLU  40          2HB       GLU  40 -10.818   7.450  -3.512
  381   2HB   GLU  40          1HB       GLU  40 -10.309   8.282  -2.042
  382   1HG   GLU  40          2HG       GLU  40  -7.950   7.701  -3.502
  383   2HG   GLU  40          1HG       GLU  40  -9.107   8.363  -4.657
  384    QB   GLU  40           QB       GLU  40 -10.563   7.866  -2.777
  385    QG   GLU  40           QG       GLU  40  -8.528   8.032  -4.079
  386    H    GLY  41           H        GLY  41  -7.392   5.450  -3.404
  387   1HA   GLY  41          2HA       GLY  41  -8.699   4.155  -5.663
  388   2HA   GLY  41          1HA       GLY  41  -6.973   4.108  -5.300
  389    QA   GLY  41           QA       GLY  41  -7.836   4.131  -5.482
  390    H    ALA  42           H        ALA  42  -8.507   3.259  -2.496
  391    HA   ALA  42           HA       ALA  42  -9.093   0.465  -3.140
  392   1HB   ALA  42          3HB       ALA  42  -6.641   1.157  -1.489
  393   2HB   ALA  42          2HB       ALA  42  -7.303  -0.465  -1.699
  394   3HB   ALA  42          1HB       ALA  42  -6.634   0.400  -3.083
  395    QB   ALA  42           QB       ALA  42  -6.859   0.364  -2.090
  396    H    SER  43           H        SER  43 -11.004   0.509  -1.995
  397    HA   SER  43           HA       SER  43 -11.611   1.971   0.311
  398   1HB   SER  43          2HB       SER  43 -12.776  -0.710   0.387
  399   2HB   SER  43          1HB       SER  43 -13.571   0.852   0.212
  400    HG   SER  43           HG       SER  43 -13.877  -0.008  -1.730
  401    QB   SER  43           QB       SER  43 -13.173   0.071   0.299
  402    H    GLN  44           H        GLN  44 -11.845   1.169   2.576
  403    HA   GLN  44           HA       GLN  44  -9.435   0.372   3.736
  404   1HB   GLN  44          2HB       GLN  44 -10.828  -0.335   5.715
  405   2HB   GLN  44          1HB       GLN  44 -11.215   1.276   5.109
  406   1HG   GLN  44          2HG       GLN  44 -13.034   0.161   3.703
  407   2HG   GLN  44          1HG       GLN  44 -12.755  -1.289   4.669
  408   1HE2  GLN  44          2HE2      GLN  44 -15.108   1.555   6.177
  409   2HE2  GLN  44          1HE2      GLN  44 -14.685   1.446   4.536
  410    QB   GLN  44           QB       GLN  44 -11.021   0.471   5.412
  411    QG   GLN  44           QG       GLN  44 -12.894  -0.564   4.186
  412    QE2  GLN  44           QE2      GLN  44 -14.896   1.501   5.357
  413    H    GLU  45           H        GLU  45 -12.216  -1.738   2.942
  414    HA   GLU  45           HA       GLU  45 -10.934  -4.172   3.732
  415   1HB   GLU  45          2HB       GLU  45 -13.155  -3.608   1.748
  416   2HB   GLU  45          1HB       GLU  45 -12.643  -5.238   2.188
  417   1HG   GLU  45          2HG       GLU  45 -13.303  -3.272   4.359
  418   2HG   GLU  45          1HG       GLU  45 -14.613  -4.093   3.508
  419    QB   GLU  45           QB       GLU  45 -12.899  -4.423   1.968
  420    QG   GLU  45           QG       GLU  45 -13.958  -3.682   3.933
  421    H    GLU  46           H        GLU  46 -10.329  -2.072   1.125
  422    HA   GLU  46           HA       GLU  46  -9.163  -4.216  -0.565
  423   1HB   GLU  46          2HB       GLU  46  -9.140  -1.225  -1.060
  424   2HB   GLU  46          1HB       GLU  46  -8.859  -2.509  -2.237
  425   1HG   GLU  46          2HG       GLU  46 -11.275  -3.284  -1.462
  426   2HG   GLU  46          1HG       GLU  46 -11.428  -1.583  -1.018
  427    QB   GLU  46           QB       GLU  46  -8.999  -1.867  -1.649
  428    QG   GLU  46           QG       GLU  46 -11.352  -2.434  -1.240
  429    H    VAL  47           H        VAL  47  -8.209  -1.161   0.981
  430    HA   VAL  47           HA       VAL  47  -5.430  -1.385   0.634
  431    HB   VAL  47           HB       VAL  47  -7.221  -0.071   2.654
  432   1HG1  VAL  47          1HG1      VAL  47  -4.223  -0.379   2.887
  433   2HG1  VAL  47          3HG1      VAL  47  -5.130   0.891   3.709
  434   3HG1  VAL  47          2HG1      VAL  47  -5.446  -0.804   4.085
  435   1HG2  VAL  47          2HG2      VAL  47  -5.954   0.631   0.232
  436   2HG2  VAL  47          1HG2      VAL  47  -6.849   1.699   1.312
  437   3HG2  VAL  47          3HG2      VAL  47  -5.104   1.520   1.495
  438    QG1  VAL  47           QG1      VAL  47  -4.933  -0.097   3.560
  439    QG2  VAL  47           QG2      VAL  47  -5.969   1.283   1.013
  440    QQG  VAL  47           QQG      VAL  47  -5.451   0.593   2.287
  441    H    GLU  48           H        GLU  48  -7.598  -2.814   3.064
  442    HA   GLU  48           HA       GLU  48  -5.570  -4.001   4.676
  443   1HB   GLU  48          2HB       GLU  48  -8.414  -3.782   4.525
  444   2HB   GLU  48          1HB       GLU  48  -7.993  -5.468   4.728
  445   1HG   GLU  48          2HG       GLU  48  -6.276  -4.232   6.479
  446   2HG   GLU  48          1HG       GLU  48  -7.720  -3.227   6.592
  447    QB   GLU  48           QB       GLU  48  -8.204  -4.625   4.626
  448    QG   GLU  48           QG       GLU  48  -6.998  -3.729   6.536
  449    H    GLU  49           H        GLU  49  -7.797  -5.442   2.237
  450    HA   GLU  49           HA       GLU  49  -6.672  -8.028   2.221
  451   1HB   GLU  49          2HB       GLU  49  -8.086  -6.381   0.136
  452   2HB   GLU  49          1HB       GLU  49  -7.406  -7.948  -0.304
  453   1HG   GLU  49          2HG       GLU  49  -9.331  -7.484   1.994
  454   2HG   GLU  49          1HG       GLU  49  -9.783  -8.128   0.415
  455    QB   GLU  49           QB       GLU  49  -7.746  -7.164  -0.084
  456    QG   GLU  49           QG       GLU  49  -9.557  -7.806   1.205
  457    H    ALA  50           H        ALA  50  -5.801  -5.228   0.184
  458    HA   ALA  50           HA       ALA  50  -3.595  -6.513  -1.129
  459   1HB   ALA  50          1HB       ALA  50  -4.865  -3.990  -1.221
  460   2HB   ALA  50          3HB       ALA  50  -3.183  -3.666  -0.797
  461   3HB   ALA  50          2HB       ALA  50  -3.565  -4.563  -2.266
  462    QB   ALA  50           QB       ALA  50  -3.871  -4.073  -1.428
  463    H    MET  51           H        MET  51  -4.040  -5.476   2.070
  464    HA   MET  51           HA       MET  51  -1.255  -4.771   2.618
  465   1HB   MET  51          2HB       MET  51  -3.713  -4.292   3.829
  466   2HB   MET  51          1HB       MET  51  -2.932  -5.438   4.910
  467   1HG   MET  51          2HG       MET  51  -1.684  -3.751   5.730
  468   2HG   MET  51          1HG       MET  51  -0.944  -3.569   4.139
  469   1HE   MET  51          2HE       MET  51  -1.790  -1.656   6.648
  470   2HE   MET  51          1HE       MET  51  -3.055  -0.482   6.294
  471   3HE   MET  51          3HE       MET  51  -3.482  -2.140   6.737
  472    QB   MET  51           QB       MET  51  -3.322  -4.865   4.370
  473    QG   MET  51           QG       MET  51  -1.314  -3.660   4.935
  474    QE   MET  51           QE       MET  51  -2.775  -1.426   6.560
  475    H    ASP  52           H        ASP  52  -3.443  -7.498   3.319
  476    HA   ASP  52           HA       ASP  52  -1.380  -9.007   4.704
  477   1HB   ASP  52          2HB       ASP  52  -4.065  -9.146   4.735
  478   2HB   ASP  52          1HB       ASP  52  -3.736 -10.408   3.546
  479    QB   ASP  52           QB       ASP  52  -3.901  -9.777   4.140
  480    H    THR  53           H        THR  53  -2.342  -8.641   1.378
  481    HA   THR  53           HA       THR  53  -1.290 -11.161   0.433
  482    HB   THR  53           HB       THR  53  -2.882  -9.597  -0.813
  483    HG1  THR  53          1HG       THR  53  -0.659 -10.924  -1.797
  484   1HG2  THR  53          1HG2      THR  53  -0.258  -8.145  -1.227
  485   2HG2  THR  53          3HG2      THR  53  -1.660  -7.920  -2.271
  486   3HG2  THR  53          2HG2      THR  53  -1.756  -7.494  -0.564
  487    QG2  THR  53           QG2      THR  53  -1.225  -7.853  -1.354
  488    H    CYS  54           H        CYS  54   0.260  -8.505   1.769
  489    HA   CYS  54           HA       CYS  54   2.665  -8.651   0.078
  490   1HB   CYS  54          1HB       CYS  54   1.812  -6.529   1.217
  491   2HB   CYS  54          2HB       CYS  54   2.371  -7.232   2.733
  492    QB   CYS  54           QB       CYS  54   2.092  -6.880   1.975
  493    HA   PRO  55           HA       PRO  55   4.484 -11.850   2.487
  494   1HB   PRO  55          2HB       PRO  55   7.046 -11.599   1.621
  495   2HB   PRO  55          1HB       PRO  55   5.769 -12.324   0.644
  496   1HG   PRO  55          2HG       PRO  55   6.941  -9.585   0.475
  497   2HG   PRO  55          1HG       PRO  55   6.370 -10.643  -0.826
  498   1HD   PRO  55          2HD       PRO  55   4.948  -8.508   0.170
  499   2HD   PRO  55          1HD       PRO  55   4.216  -9.905  -0.647
  500    QB   PRO  55           QB       PRO  55   6.408 -11.961   1.133
  501    QG   PRO  55           QG       PRO  55   6.656 -10.114  -0.175
  502    QD   PRO  55           QD       PRO  55   4.582  -9.207  -0.239
  503    H    VAL  56           H        VAL  56   6.368  -8.806   2.261
  504    HA   VAL  56           HA       VAL  56   7.242  -9.189   5.076
  505    HB   VAL  56           HB       VAL  56   8.084  -6.969   3.201
  506   1HG1  VAL  56          1HG1      VAL  56   8.638  -7.646   5.909
  507   2HG1  VAL  56          3HG1      VAL  56  10.100  -7.978   4.980
  508   3HG1  VAL  56          2HG1      VAL  56   9.377  -6.369   4.941
  509   1HG2  VAL  56          3HG2      VAL  56   8.548  -9.783   2.910
  510   2HG2  VAL  56          2HG2      VAL  56   9.207  -8.464   1.943
  511   3HG2  VAL  56          1HG2      VAL  56  10.065  -9.017   3.382
  512    QG1  VAL  56           QG1      VAL  56   9.372  -7.331   5.277
  513    QG2  VAL  56           QG2      VAL  56   9.273  -9.088   2.745
  514    QQG  VAL  56           QQG      VAL  56   9.322  -8.210   4.011
  515    H    GLN  57           H        GLN  57   4.861  -7.595   3.269
  516    HA   GLN  57           HA       GLN  57   3.210  -6.060   3.894
  517   1HB   GLN  57          2HB       GLN  57   4.308  -7.008   6.491
  518   2HB   GLN  57          1HB       GLN  57   3.366  -5.516   6.524
  519   1HG   GLN  57          2HG       GLN  57   1.453  -6.584   5.583
  520   2HG   GLN  57          1HG       GLN  57   2.386  -8.008   5.121
  521   1HE2  GLN  57          2HE2      GLN  57   1.539  -7.531   9.128
  522   2HE2  GLN  57          1HE2      GLN  57   1.790  -6.151   8.172
  523    QB   GLN  57           QB       GLN  57   3.837  -6.262   6.507
  524    QG   GLN  57           QG       GLN  57   1.919  -7.296   5.352
  525    QE2  GLN  57           QE2      GLN  57   1.664  -6.841   8.650
  526    H    CYS  58           H        CYS  58   5.469  -4.982   6.399
  527    HA   CYS  58           HA       CYS  58   6.553  -2.909   6.645
  528   1HB   CYS  58          2HB       CYS  58   7.615  -3.853   4.466
  529   2HB   CYS  58          1HB       CYS  58   6.572  -2.698   3.635
  530    HG   CYS  58           HG       CYS  58   9.041  -1.986   5.310
  531    QB   CYS  58           QB       CYS  58   7.093  -3.275   4.051
  532    H    ILE  59           H        ILE  59   3.620  -3.064   6.431
  533    HA   ILE  59           HA       ILE  59   3.026  -0.403   5.208
  534    HB   ILE  59           HB       ILE  59   1.764  -2.434   4.368
  535   1HG1  ILE  59          2HG1      ILE  59  -0.413  -0.910   5.558
  536   2HG1  ILE  59          1HG1      ILE  59   0.869   0.147   4.973
  537   1HG2  ILE  59          1HG2      ILE  59   1.602  -3.055   7.051
  538   2HG2  ILE  59          3HG2      ILE  59  -0.006  -2.416   6.715
  539   3HG2  ILE  59          2HG2      ILE  59   0.612  -3.781   5.784
  540   1HD1  ILE  59          1HD1      ILE  59  -0.107  -2.111   3.248
  541   2HD1  ILE  59          3HD1      ILE  59  -1.007  -0.595   3.310
  542   3HD1  ILE  59          2HD1      ILE  59   0.668  -0.603   2.766
  543    QG1  ILE  59           QG1      ILE  59   0.228  -0.381   5.265
  544    QG2  ILE  59           QG2      ILE  59   0.736  -3.084   6.517
  545    QD1  ILE  59           QD1      ILE  59  -0.149  -1.103   3.108
  546    H    HIS  60           H        HIS  60   1.593   1.034   6.443
  547    HA   HIS  60           HA       HIS  60   1.125   0.356   9.269
  548   1HB   HIS  60          2HB       HIS  60   2.747   2.827   8.653
  549   2HB   HIS  60          1HB       HIS  60   2.469   2.065  10.218
  550    HD1  HIS  60          1HD       HIS  60   4.392   1.589   7.000
  551    HD2  HIS  60          2HD       HIS  60   4.216  -0.060  10.825
  552    HE1  HIS  60          1HE       HIS  60   6.388   0.043   7.206
  553    QB   HIS  60           QB       HIS  60   2.608   2.446   9.436
  554    H    TRP  61           H        TRP  61  -0.664   1.431  10.030
  555    HA   TRP  61           HA       TRP  61  -2.178   3.086   8.153
  556   1HB   TRP  61          2HB       TRP  61  -2.709   2.286  11.027
  557   2HB   TRP  61          1HB       TRP  61  -3.842   3.171  10.014
  558    HD1  TRP  61           HD       TRP  61  -1.904  -0.183   9.969
  559    HE1  TRP  61          1HE       TRP  61  -3.354  -1.907   8.709
  560    HE3  TRP  61          3HE       TRP  61  -5.762   2.807   8.571
  561    HZ2  TRP  61          2HZ       TRP  61  -5.845  -1.992   7.286
  562    HZ3  TRP  61          3HZ       TRP  61  -7.673   1.898   7.266
  563    HH2  TRP  61           HH       TRP  61  -7.715  -0.500   6.623
  564    QB   TRP  61           QB       TRP  61  -3.275   2.728  10.520
  565    H    GLU  62           H        GLU  62  -3.098   5.225   8.939
  566    HA   GLU  62           HA       GLU  62  -1.149   6.695  10.658
  567   1HB   GLU  62          2HB       GLU  62  -0.540   7.292   8.409
  568   2HB   GLU  62          1HB       GLU  62  -2.227   7.522   7.949
  569   1HG   GLU  62          2HG       GLU  62  -2.338   9.353   9.712
  570   2HG   GLU  62          1HG       GLU  62  -0.587   9.214   9.852
  571    QB   GLU  62           QB       GLU  62  -1.383   7.407   8.179
  572    QG   GLU  62           QG       GLU  62  -1.462   9.284   9.782
  573    H    ASP  63           H        ASP  63  -2.292   7.475  12.362
  574    HA   ASP  63           HA       ASP  63  -5.169   8.151  11.935
  575   1HB   ASP  63          2HB       ASP  63  -3.621   7.024  14.187
  576   2HB   ASP  63          1HB       ASP  63  -4.809   8.246  14.642
  577    QB   ASP  63           QB       ASP  63  -4.215   7.635  14.415
  578    H    GLU  64           H        GLU  64  -2.129   9.393  13.288
  579    HA   GLU  64           HA       GLU  64  -2.960  12.129  12.712
  580   1HB   GLU  64          2HB       GLU  64  -4.115  11.713  14.873
  581   2HB   GLU  64          1HB       GLU  64  -2.564  11.306  15.605
  582   1HG   GLU  64          2HG       GLU  64  -1.719  13.529  15.244
  583   2HG   GLU  64          1HG       GLU  64  -3.114  13.959  14.254
  584    QB   GLU  64           QB       GLU  64  -3.340  11.509  15.239
  585    QG   GLU  64           QG       GLU  64  -2.416  13.744  14.749
   
  No H/Q in entry =         585
  Start of MODEL    5
    1    HA   ALA   1           HA       ALA   1  -6.245  10.674  10.487
    2   1HB   ALA   1          3HB       ALA   1  -9.079  11.003  11.459
    3   2HB   ALA   1          2HB       ALA   1  -7.888  10.143  12.435
    4   3HB   ALA   1          1HB       ALA   1  -7.622  11.833  12.008
    5    QB   ALA   1           QB       ALA   1  -8.196  10.993  11.967
    6    H    ARG   2           H        ARG   2  -6.436   8.516  11.819
    7    HA   ARG   2           HA       ARG   2  -6.361   6.174  11.534
    8   1HB   ARG   2          2HB       ARG   2  -9.161   7.102  11.284
    9   2HB   ARG   2          1HB       ARG   2  -8.856   5.474  10.678
   10   1HG   ARG   2          2HG       ARG   2  -8.222   4.667  12.763
   11   2HG   ARG   2          1HG       ARG   2  -7.720   6.257  13.339
   12   1HD   ARG   2          2HD       ARG   2 -10.597   5.470  12.801
   13   2HD   ARG   2          1HD       ARG   2  -9.846   5.456  14.396
   14    HE   ARG   2           HE       ARG   2  -9.409   8.030  13.351
   15   1HH1  ARG   2          1HH1      ARG   2 -10.613   8.410  15.750
   16   2HH1  ARG   2          2HH1      ARG   2 -12.307   8.630  15.465
   17   1HH2  ARG   2          1HH2      ARG   2 -12.220   7.262  12.281
   18   2HH2  ARG   2          2HH2      ARG   2 -13.216   7.979  13.502
   19    QB   ARG   2           QB       ARG   2  -9.009   6.288  10.981
   20    QG   ARG   2           QG       ARG   2  -7.971   5.462  13.051
   21    QD   ARG   2           QD       ARG   2 -10.222   5.463  13.599
   22    QH1  ARG   2           QH1      ARG   2 -11.460   8.520  15.607
   23    QH2  ARG   2           QH2      ARG   2 -12.718   7.621  12.891
   24    H    LYS   3           H        LYS   3  -5.535   7.748   9.219
   25    HA   LYS   3           HA       LYS   3  -6.624   6.419   6.864
   26   1HB   LYS   3          2HB       LYS   3  -4.899   7.770   5.693
   27   2HB   LYS   3          1HB       LYS   3  -5.927   8.744   6.725
   28   1HG   LYS   3          2HG       LYS   3  -3.684   7.743   8.228
   29   2HG   LYS   3          1HG       LYS   3  -3.117   8.595   6.794
   30   1HD   LYS   3          2HD       LYS   3  -5.307  10.042   7.996
   31   2HD   LYS   3          1HD       LYS   3  -4.059   9.737   9.202
   32   1HE   LYS   3          2HE       LYS   3  -2.454  10.955   8.052
   33   2HE   LYS   3          1HE       LYS   3  -3.222  10.688   6.487
   34   1HZ   LYS   3          3HZ       LYS   3  -4.530  12.293   8.594
   35   2HZ   LYS   3          2HZ       LYS   3  -3.415  12.989   7.517
   36   3HZ   LYS   3          1HZ       LYS   3  -4.842  12.280   6.927
   37    QB   LYS   3           QB       LYS   3  -5.413   8.257   6.209
   38    QG   LYS   3           QG       LYS   3  -3.400   8.169   7.511
   39    QD   LYS   3           QD       LYS   3  -4.683   9.890   8.599
   40    QE   LYS   3           QE       LYS   3  -2.838  10.821   7.270
   41    QZ   LYS   3           QZ       LYS   3  -4.262  12.521   7.680
   42    H    PHE   4           H        PHE   4  -3.864   6.314   5.680
   43    HA   PHE   4           HA       PHE   4  -2.333   4.337   7.060
   44   1HB   PHE   4          2HB       PHE   4  -2.939   2.350   5.865
   45   2HB   PHE   4          1HB       PHE   4  -4.451   3.057   6.429
   46    HD1  PHE   4          1HD       PHE   4  -2.482   2.109   3.534
   47    HD2  PHE   4          2HD       PHE   4  -5.828   4.463   4.845
   48    HE1  PHE   4          1HE       PHE   4  -3.299   2.251   1.195
   49    HE2  PHE   4          2HE       PHE   4  -6.642   4.607   2.508
   50    HZ   PHE   4           HZ       PHE   4  -5.379   3.500   0.683
   51    QB   PHE   4           QB       PHE   4  -3.695   2.704   6.147
   52    QD   PHE   4           QD       PHE   4  -4.155   3.286   4.189
   53    QE   PHE   4           QE       PHE   4  -4.971   3.429   1.851
   54    QR   PHE   4           QR       PHE   4  -4.726   3.386   2.553
   55    H    TYR   5           H        TYR   5  -0.943   3.100   5.198
   56    HA   TYR   5           HA       TYR   5  -0.462   4.314   2.702
   57   1HB   TYR   5          2HB       TYR   5   1.517   5.690   3.168
   58   2HB   TYR   5          1HB       TYR   5   0.137   6.333   4.042
   59    HD1  TYR   5          1HD       TYR   5   3.488   5.169   4.320
   60    HD2  TYR   5          2HD       TYR   5  -0.203   5.465   6.494
   61    HE1  TYR   5          1HE       TYR   5   4.720   4.882   6.453
   62    HE2  TYR   5          2HE       TYR   5   1.027   5.179   8.625
   63    HH   TYR   5           HH       TYR   5   3.501   5.639   9.394
   64    QB   TYR   5           QB       TYR   5   0.827   6.011   3.605
   65    QD   TYR   5           QD       TYR   5   1.642   5.317   5.407
   66    QE   TYR   5           QE       TYR   5   2.874   5.030   7.539
   67    QR   TYR   5           QR       TYR   5   2.258   5.174   6.473
   68    H    VAL   6           H        VAL   6   2.220   3.944   2.364
   69    HA   VAL   6           HA       VAL   6   2.740   1.372   3.770
   70    HB   VAL   6           HB       VAL   6   3.641   1.484   0.961
   71   1HG1  VAL   6          2HG1      VAL   6   3.410  -0.323   3.063
   72   2HG1  VAL   6          1HG1      VAL   6   2.130  -0.802   1.950
   73   3HG1  VAL   6          3HG1      VAL   6   3.801  -0.717   1.393
   74   1HG2  VAL   6          2HG2      VAL   6   0.852   1.954   1.638
   75   2HG2  VAL   6          1HG2      VAL   6   1.590   1.817   0.045
   76   3HG2  VAL   6          3HG2      VAL   6   1.026   0.377   0.888
   77    QG1  VAL   6           QG1      VAL   6   3.114  -0.614   2.135
   78    QG2  VAL   6           QG2      VAL   6   1.156   1.383   0.857
   79    QQG  VAL   6           QQG      VAL   6   2.135   0.384   1.496
   80    H    ASP   7           H        ASP   7   5.003   0.597   3.274
   81    HA   ASP   7           HA       ASP   7   6.852   2.912   3.192
   82   1HB   ASP   7          2HB       ASP   7   6.834   2.137   5.472
   83   2HB   ASP   7          1HB       ASP   7   6.943   0.456   4.950
   84    QB   ASP   7           QB       ASP   7   6.888   1.297   5.211
   85    H    GLN   8           H        GLN   8   7.235   2.628   1.006
   86    HA   GLN   8           HA       GLN   8   7.950   0.103  -0.160
   87   1HB   GLN   8          2HB       GLN   8   8.917   2.795  -1.107
   88   2HB   GLN   8          1HB       GLN   8   8.657   1.323  -2.030
   89   1HG   GLN   8          2HG       GLN   8   6.672   2.337  -2.557
   90   2HG   GLN   8          1HG       GLN   8   6.176   1.652  -1.007
   91   1HE2  GLN   8          2HE2      GLN   8   5.369   4.903   0.079
   92   2HE2  GLN   8          1HE2      GLN   8   4.864   3.296  -0.137
   93    QB   GLN   8           QB       GLN   8   8.787   2.059  -1.568
   94    QG   GLN   8           QG       GLN   8   6.424   1.995  -1.782
   95    QE2  GLN   8           QE2      GLN   8   5.117   4.100  -0.029
   96    H    ASP   9           H        ASP   9   9.337   0.176   2.142
   97    HA   ASP   9           HA       ASP   9  12.168   0.679   1.321
   98   1HB   ASP   9          2HB       ASP   9  10.825   1.567   3.606
   99   2HB   ASP   9          1HB       ASP   9  11.757   0.179   4.169
  100    QB   ASP   9           QB       ASP   9  11.291   0.873   3.887
  101    H    GLU  10           H        GLU  10   9.828  -1.609   2.462
  102    HA   GLU  10           HA       GLU  10  11.938  -3.717   2.598
  103   1HB   GLU  10          2HB       GLU  10   9.492  -3.171   4.132
  104   2HB   GLU  10          1HB       GLU  10   9.610  -4.840   3.580
  105   1HG   GLU  10          2HG       GLU  10  11.884  -3.410   4.974
  106   2HG   GLU  10          1HG       GLU  10  10.682  -4.369   5.838
  107    QB   GLU  10           QB       GLU  10   9.551  -4.005   3.856
  108    QG   GLU  10           QG       GLU  10  11.283  -3.890   5.406
  109    H    CYS  11           H        CYS  11   9.187  -2.553   0.881
  110    HA   CYS  11           HA       CYS  11   8.040  -4.792  -0.305
  111   1HB   CYS  11          1HB       CYS  11   7.323  -2.477  -0.788
  112   2HB   CYS  11          2HB       CYS  11   8.817  -2.197  -1.677
  113    QB   CYS  11           QB       CYS  11   8.070  -2.337  -1.233
  114    H    ILE  12           H        ILE  12   8.642  -6.231  -1.956
  115    HA   ILE  12           HA       ILE  12  11.529  -6.160  -2.660
  116    HB   ILE  12           HB       ILE  12  11.246  -8.517  -3.298
  117   1HG1  ILE  12          2HG1      ILE  12   8.341  -7.988  -2.594
  118   2HG1  ILE  12          1HG1      ILE  12   8.981  -8.486  -4.158
  119   1HG2  ILE  12          1HG2      ILE  12  10.375  -7.514  -0.616
  120   2HG2  ILE  12          3HG2      ILE  12  10.260  -9.244  -0.931
  121   3HG2  ILE  12          2HG2      ILE  12  11.817  -8.428  -1.056
  122   1HD1  ILE  12          3HD1      ILE  12   9.784 -10.297  -2.011
  123   2HD1  ILE  12          2HD1      ILE  12   8.032 -10.189  -2.177
  124   3HD1  ILE  12          1HD1      ILE  12   9.022 -10.663  -3.558
  125    QG1  ILE  12           QG1      ILE  12   8.661  -8.237  -3.376
  126    QG2  ILE  12           QG2      ILE  12  10.817  -8.395  -0.868
  127    QD1  ILE  12           QD1      ILE  12   8.946 -10.383  -2.582
  128    H    ALA  13           H        ALA  13   8.364  -6.734  -4.270
  129    HA   ALA  13           HA       ALA  13   8.483  -5.030  -6.374
  130   1HB   ALA  13          1HB       ALA  13  10.563  -7.121  -6.712
  131   2HB   ALA  13          3HB       ALA  13   9.589  -6.761  -8.137
  132   3HB   ALA  13          2HB       ALA  13  10.504  -5.477  -7.347
  133    QB   ALA  13           QB       ALA  13  10.218  -6.453  -7.399
  134    H    CYS  14           H        CYS  14   6.638  -6.853  -4.989
  135    HA   CYS  14           HA       CYS  14   5.663  -8.467  -7.303
  136   1HB   CYS  14          1HB       CYS  14   4.783  -9.984  -5.850
  137   2HB   CYS  14          2HB       CYS  14   5.981  -9.307  -4.751
  138    QB   CYS  14           QB       CYS  14   5.382  -9.645  -5.300
  139    H    GLU  15           H        GLU  15   3.332  -8.406  -7.757
  140    HA   GLU  15           HA       GLU  15   2.266  -5.663  -7.344
  141   1HB   GLU  15          2HB       GLU  15   1.659  -7.862  -9.323
  142   2HB   GLU  15          1HB       GLU  15   0.607  -6.458  -9.144
  143   1HG   GLU  15          2HG       GLU  15   2.975  -5.190  -9.327
  144   2HG   GLU  15          1HG       GLU  15   3.358  -6.634 -10.265
  145    QB   GLU  15           QB       GLU  15   1.133  -7.160  -9.233
  146    QG   GLU  15           QG       GLU  15   3.166  -5.912  -9.796
  147    H    SER  16           H        SER  16   2.116  -8.280  -5.554
  148    HA   SER  16           HA       SER  16  -0.483  -9.213  -5.288
  149   1HB   SER  16          2HB       SER  16   1.626  -8.540  -3.257
  150   2HB   SER  16          1HB       SER  16   0.033  -9.058  -2.715
  151    HG   SER  16           HG       SER  16   1.769 -10.707  -3.167
  152    QB   SER  16           QB       SER  16   0.830  -8.799  -2.986
  153    H    CYS  17           H        CYS  17   0.590  -6.620  -3.093
  154    HA   CYS  17           HA       CYS  17  -1.974  -5.621  -2.507
  155   1HB   CYS  17          1HB       CYS  17  -0.882  -3.746  -1.576
  156   2HB   CYS  17          2HB       CYS  17   0.330  -5.022  -1.474
  157    QB   CYS  17           QB       CYS  17  -0.276  -4.384  -1.525
  158    H    VAL  18           H        VAL  18   0.315  -4.498  -5.011
  159    HA   VAL  18           HA       VAL  18  -1.241  -2.441  -6.121
  160    HB   VAL  18           HB       VAL  18   0.505  -4.421  -7.617
  161   1HG1  VAL  18          2HG1      VAL  18  -0.446  -1.620  -8.289
  162   2HG1  VAL  18          1HG1      VAL  18   0.761  -2.517  -9.210
  163   3HG1  VAL  18          3HG1      VAL  18  -0.899  -3.106  -9.122
  164   1HG2  VAL  18          3HG2      VAL  18   1.062  -1.966  -5.974
  165   2HG2  VAL  18          2HG2      VAL  18   1.942  -3.493  -6.022
  166   3HG2  VAL  18          1HG2      VAL  18   2.102  -2.341  -7.347
  167    QG1  VAL  18           QG1      VAL  18  -0.195  -2.414  -8.873
  168    QG2  VAL  18           QG2      VAL  18   1.702  -2.600  -6.448
  169    QQG  VAL  18           QQG      VAL  18   0.754  -2.507  -7.661
  170    H    GLU  19           H        GLU  19  -1.703  -5.896  -6.270
  171    HA   GLU  19           HA       GLU  19  -3.610  -5.711  -8.492
  172   1HB   GLU  19          2HB       GLU  19  -2.088  -7.781  -7.398
  173   2HB   GLU  19          1HB       GLU  19  -3.741  -8.165  -6.918
  174   1HG   GLU  19          2HG       GLU  19  -3.643  -7.254  -9.674
  175   2HG   GLU  19          1HG       GLU  19  -2.579  -8.639  -9.426
  176    QB   GLU  19           QB       GLU  19  -2.915  -7.973  -7.158
  177    QG   GLU  19           QG       GLU  19  -3.111  -7.947  -9.550
  178    H    ILE  20           H        ILE  20  -3.688  -5.979  -4.983
  179    HA   ILE  20           HA       ILE  20  -6.625  -6.137  -4.967
  180    HB   ILE  20           HB       ILE  20  -4.673  -5.697  -2.713
  181   1HG1  ILE  20          2HG1      ILE  20  -5.893  -8.170  -2.566
  182   2HG1  ILE  20          1HG1      ILE  20  -5.334  -7.988  -4.212
  183   1HG2  ILE  20          1HG2      ILE  20  -7.633  -6.170  -2.823
  184   2HG2  ILE  20          3HG2      ILE  20  -6.694  -6.600  -1.395
  185   3HG2  ILE  20          2HG2      ILE  20  -6.761  -4.922  -1.933
  186   1HD1  ILE  20          1HD1      ILE  20  -3.240  -6.981  -2.707
  187   2HD1  ILE  20          3HD1      ILE  20  -3.784  -8.375  -1.774
  188   3HD1  ILE  20          2HD1      ILE  20  -3.291  -8.577  -3.455
  189    QG1  ILE  20           QG1      ILE  20  -5.613  -8.079  -3.389
  190    QG2  ILE  20           QG2      ILE  20  -7.029  -5.897  -2.050
  191    QD1  ILE  20           QD1      ILE  20  -3.438  -7.978  -2.645
  192    H    ALA  21           H        ALA  21  -4.683  -3.783  -5.916
  193    HA   ALA  21           HA       ALA  21  -6.531  -1.664  -5.533
  194   1HB   ALA  21          3HB       ALA  21  -4.234  -1.724  -3.552
  195   2HB   ALA  21          2HB       ALA  21  -5.191  -0.284  -3.898
  196   3HB   ALA  21          1HB       ALA  21  -5.959  -1.700  -3.180
  197    QB   ALA  21           QB       ALA  21  -5.128  -1.236  -3.543
  198    HA   PRO  22           HA       PRO  22  -2.966  -1.231  -8.483
  199   1HB   PRO  22          2HB       PRO  22  -4.499  -1.015 -10.721
  200   2HB   PRO  22          1HB       PRO  22  -3.930  -2.558 -10.085
  201   1HG   PRO  22          2HG       PRO  22  -6.616  -1.273  -9.777
  202   2HG   PRO  22          1HG       PRO  22  -6.217  -2.979 -10.048
  203   1HD   PRO  22          2HD       PRO  22  -6.899  -1.997  -7.605
  204   2HD   PRO  22          1HD       PRO  22  -5.796  -3.373  -7.821
  205    QB   PRO  22           QB       PRO  22  -4.214  -1.786 -10.403
  206    QG   PRO  22           QG       PRO  22  -6.416  -2.126  -9.912
  207    QD   PRO  22           QD       PRO  22  -6.347  -2.685  -7.713
  208    H    GLY  23           H        GLY  23  -5.502   0.594  -7.276
  209   1HA   GLY  23          2HA       GLY  23  -4.803   2.973  -8.934
  210   2HA   GLY  23          1HA       GLY  23  -6.267   2.819  -7.962
  211    QA   GLY  23           QA       GLY  23  -5.535   2.896  -8.448
  212    H    ALA  24           H        ALA  24  -5.189   1.908  -5.551
  213    HA   ALA  24           HA       ALA  24  -4.010   4.396  -4.535
  214   1HB   ALA  24          2HB       ALA  24  -5.795   3.052  -3.329
  215   2HB   ALA  24          1HB       ALA  24  -4.554   1.841  -3.007
  216   3HB   ALA  24          3HB       ALA  24  -4.387   3.469  -2.350
  217    QB   ALA  24           QB       ALA  24  -4.912   2.787  -2.895
  218    H    PHE  25           H        PHE  25  -3.008   1.043  -5.036
  219    HA   PHE  25           HA       PHE  25  -0.277   1.755  -4.058
  220   1HB   PHE  25          2HB       PHE  25  -1.905  -0.487  -3.625
  221   2HB   PHE  25          1HB       PHE  25  -0.711  -1.039  -4.795
  222    HD1  PHE  25          1HD       PHE  25  -1.020  -1.918  -1.857
  223    HD2  PHE  25          2HD       PHE  25   1.447   1.034  -3.759
  224    HE1  PHE  25          1HE       PHE  25   0.669  -2.170  -0.059
  225    HE2  PHE  25          2HE       PHE  25   3.127   0.778  -1.952
  226    HZ   PHE  25           HZ       PHE  25   2.747  -0.822  -0.122
  227    QB   PHE  25           QB       PHE  25  -1.308  -0.763  -4.210
  228    QD   PHE  25           QD       PHE  25   0.214  -0.442  -2.808
  229    QE   PHE  25           QE       PHE  25   1.898  -0.696  -1.005
  230    QR   PHE  25           QR       PHE  25   1.394  -0.620  -1.550
  231    H    ALA  26           H        ALA  26   1.472   1.621  -5.491
  232    HA   ALA  26           HA       ALA  26   1.357   0.272  -8.035
  233   1HB   ALA  26          2HB       ALA  26   0.787   3.230  -7.940
  234   2HB   ALA  26          1HB       ALA  26   1.595   2.521  -9.338
  235   3HB   ALA  26          3HB       ALA  26  -0.020   1.977  -8.885
  236    QB   ALA  26           QB       ALA  26   0.787   2.576  -8.721
  237    H    MET  27           H        MET  27   3.462  -0.302  -8.288
  238    HA   MET  27           HA       MET  27   5.606   0.815  -6.818
  239   1HB   MET  27          2HB       MET  27   5.815  -0.611  -9.478
  240   2HB   MET  27          1HB       MET  27   7.074  -0.484  -8.248
  241   1HG   MET  27          2HG       MET  27   6.138  -2.099  -6.933
  242   2HG   MET  27          1HG       MET  27   4.492  -1.589  -7.306
  243   1HE   MET  27          1HE       MET  27   7.558  -2.441  -9.413
  244   2HE   MET  27          3HE       MET  27   7.534  -3.837  -8.326
  245   3HE   MET  27          2HE       MET  27   7.235  -4.053 -10.049
  246    QB   MET  27           QB       MET  27   6.445  -0.547  -8.863
  247    QG   MET  27           QG       MET  27   5.315  -1.844  -7.120
  248    QE   MET  27           QE       MET  27   7.442  -3.444  -9.263
  249    H    ASP  28           H        ASP  28   7.411   2.243  -7.536
  250    HA   ASP  28           HA       ASP  28   6.636   3.830  -9.960
  251   1HB   ASP  28          2HB       ASP  28   6.331   4.732  -7.379
  252   2HB   ASP  28          1HB       ASP  28   7.964   5.271  -7.767
  253    QB   ASP  28           QB       ASP  28   7.148   5.001  -7.573
  254    HA   PRO  29           HA       PRO  29  10.952   3.375 -10.704
  255   1HB   PRO  29          2HB       PRO  29  11.484   5.539 -12.260
  256   2HB   PRO  29          1HB       PRO  29  10.547   4.161 -12.833
  257   1HG   PRO  29          2HG       PRO  29   9.622   6.861 -12.108
  258   2HG   PRO  29          1HG       PRO  29   8.854   5.655 -13.148
  259   1HD   PRO  29          2HD       PRO  29   8.208   6.290 -10.450
  260   2HD   PRO  29          1HD       PRO  29   7.497   5.017 -11.454
  261    QB   PRO  29           QB       PRO  29  11.016   4.850 -12.547
  262    QG   PRO  29           QG       PRO  29   9.238   6.258 -12.628
  263    QD   PRO  29           QD       PRO  29   7.852   5.654 -10.952
  264    H    GLU  30           H        GLU  30   9.633   6.075  -9.102
  265    HA   GLU  30           HA       GLU  30  12.203   7.281  -8.320
  266   1HB   GLU  30          2HB       GLU  30   9.737   8.362  -8.545
  267   2HB   GLU  30          1HB       GLU  30   9.675   7.889  -6.848
  268   1HG   GLU  30          2HG       GLU  30  12.048   9.026  -6.745
  269   2HG   GLU  30          1HG       GLU  30  11.495   9.857  -8.199
  270    QB   GLU  30           QB       GLU  30   9.706   8.126  -7.697
  271    QG   GLU  30           QG       GLU  30  11.772   9.441  -7.472
  272    H    ILE  31           H        ILE  31   9.646   5.232  -7.017
  273    HA   ILE  31           HA       ILE  31  11.334   4.679  -4.653
  274    HB   ILE  31           HB       ILE  31   9.041   3.443  -4.015
  275   1HG1  ILE  31          2HG1      ILE  31   8.119   4.334  -6.247
  276   2HG1  ILE  31          1HG1      ILE  31   7.129   4.582  -4.814
  277   1HG2  ILE  31          3HG2      ILE  31  10.136   6.166  -3.550
  278   2HG2  ILE  31          2HG2      ILE  31   8.461   5.901  -3.069
  279   3HG2  ILE  31          1HG2      ILE  31   9.742   4.897  -2.391
  280   1HD1  ILE  31          1HD1      ILE  31   9.107   6.715  -5.474
  281   2HD1  ILE  31          3HD1      ILE  31   7.684   6.591  -6.509
  282   3HD1  ILE  31          2HD1      ILE  31   7.496   6.855  -4.776
  283    QG1  ILE  31           QG1      ILE  31   7.624   4.458  -5.530
  284    QG2  ILE  31           QG2      ILE  31   9.446   5.655  -3.003
  285    QD1  ILE  31           QD1      ILE  31   8.096   6.720  -5.586
  286    H    GLU  32           H        GLU  32  10.811   3.540  -7.639
  287    HA   GLU  32           HA       GLU  32  10.726   1.375  -8.604
  288   1HB   GLU  32          2HB       GLU  32  12.950   0.887  -6.609
  289   2HB   GLU  32          1HB       GLU  32  12.803   0.245  -8.246
  290   1HG   GLU  32          2HG       GLU  32  13.165   2.429  -9.210
  291   2HG   GLU  32          1HG       GLU  32  13.087   3.195  -7.623
  292    QB   GLU  32           QB       GLU  32  12.877   0.566  -7.428
  293    QG   GLU  32           QG       GLU  32  13.126   2.812  -8.417
  294    H    LYS  33           H        LYS  33   8.901   1.706  -6.463
  295    HA   LYS  33           HA       LYS  33   8.520  -1.125  -5.735
  296   1HB   LYS  33          2HB       LYS  33   9.375   0.909  -3.674
  297   2HB   LYS  33          1HB       LYS  33   8.479  -0.543  -3.231
  298   1HG   LYS  33          2HG       LYS  33  10.302  -1.834  -4.527
  299   2HG   LYS  33          1HG       LYS  33  11.231  -0.337  -4.450
  300   1HD   LYS  33          2HD       LYS  33  10.344  -0.597  -1.856
  301   2HD   LYS  33          1HD       LYS  33  10.635  -2.273  -2.321
  302   1HE   LYS  33          2HE       LYS  33  12.660  -0.094  -2.852
  303   2HE   LYS  33          1HE       LYS  33  12.634  -0.998  -1.338
  304   1HZ   LYS  33          1HZ       LYS  33  12.481  -2.970  -3.131
  305   2HZ   LYS  33          3HZ       LYS  33  13.422  -1.852  -3.990
  306   3HZ   LYS  33          2HZ       LYS  33  13.939  -2.404  -2.469
  307    QB   LYS  33           QB       LYS  33   8.927   0.183  -3.453
  308    QG   LYS  33           QG       LYS  33  10.766  -1.085  -4.489
  309    QD   LYS  33           QD       LYS  33  10.489  -1.435  -2.088
  310    QE   LYS  33           QE       LYS  33  12.647  -0.546  -2.095
  311    QZ   LYS  33           QZ       LYS  33  13.281  -2.409  -3.196
  312    H    ALA  34           H        ALA  34   6.419  -1.524  -4.921
  313    HA   ALA  34           HA       ALA  34   4.322   0.168  -5.737
  314   1HB   ALA  34          1HB       ALA  34   4.594  -2.210  -4.024
  315   2HB   ALA  34          3HB       ALA  34   3.210  -1.191  -3.627
  316   3HB   ALA  34          2HB       ALA  34   3.387  -1.842  -5.256
  317    QB   ALA  34           QB       ALA  34   3.730  -1.748  -4.302
  318    H    TYR  35           H        TYR  35   3.154   1.796  -4.719
  319    HA   TYR  35           HA       TYR  35   3.786   2.474  -1.902
  320   1HB   TYR  35          2HB       TYR  35   4.519   4.669  -2.296
  321   2HB   TYR  35          1HB       TYR  35   5.371   3.722  -3.506
  322    HD1  TYR  35          1HD       TYR  35   2.814   3.365  -5.317
  323    HD2  TYR  35          2HD       TYR  35   4.698   6.755  -3.487
  324    HE1  TYR  35          1HE       TYR  35   1.921   4.818  -7.107
  325    HE2  TYR  35          2HE       TYR  35   3.792   8.216  -5.271
  326    HH   TYR  35           HH       TYR  35   1.895   6.864  -7.966
  327    QB   TYR  35           QB       TYR  35   4.945   4.195  -2.901
  328    QD   TYR  35           QD       TYR  35   3.756   5.060  -4.402
  329    QE   TYR  35           QE       TYR  35   2.856   6.517  -6.189
  330    QR   TYR  35           QR       TYR  35   3.306   5.789  -5.296
  331    H    VAL  36           H        VAL  36   2.110   3.414  -0.839
  332    HA   VAL  36           HA       VAL  36  -0.486   3.369  -2.208
  333    HB   VAL  36           HB       VAL  36   0.518   3.446   0.592
  334   1HG1  VAL  36          3HG1      VAL  36  -1.920   4.903  -0.313
  335   2HG1  VAL  36          2HG1      VAL  36  -2.039   3.943   1.163
  336   3HG1  VAL  36          1HG1      VAL  36  -0.849   5.238   1.047
  337   1HG2  VAL  36          2HG2      VAL  36  -0.260   1.382  -0.538
  338   2HG2  VAL  36          1HG2      VAL  36  -1.251   1.766   0.870
  339   3HG2  VAL  36          3HG2      VAL  36  -1.850   2.112  -0.753
  340    QG1  VAL  36           QG1      VAL  36  -1.603   4.695   0.632
  341    QG2  VAL  36           QG2      VAL  36  -1.120   1.753  -0.141
  342    QQG  VAL  36           QQG      VAL  36  -1.361   3.224   0.246
  343    H    LYS  37           H        LYS  37  -0.552   5.162  -3.580
  344    HA   LYS  37           HA       LYS  37  -0.129   7.818  -2.261
  345   1HB   LYS  37          2HB       LYS  37   0.500   8.710  -4.407
  346   2HB   LYS  37          1HB       LYS  37   1.417   7.224  -4.160
  347   1HG   LYS  37          2HG       LYS  37   0.419   6.192  -5.911
  348   2HG   LYS  37          1HG       LYS  37  -1.182   6.766  -5.446
  349   1HD   LYS  37          2HD       LYS  37   0.678   8.830  -6.486
  350   2HD   LYS  37          1HD       LYS  37   0.111   7.641  -7.660
  351   1HE   LYS  37          2HE       LYS  37  -2.161   8.335  -6.159
  352   2HE   LYS  37          1HE       LYS  37  -1.329   9.859  -6.471
  353   1HZ   LYS  37          1HZ       LYS  37  -1.200   8.417  -8.820
  354   2HZ   LYS  37          3HZ       LYS  37  -2.791   8.230  -8.265
  355   3HZ   LYS  37          2HZ       LYS  37  -2.156   9.786  -8.508
  356    QB   LYS  37           QB       LYS  37   0.959   7.967  -4.283
  357    QG   LYS  37           QG       LYS  37  -0.381   6.479  -5.679
  358    QD   LYS  37           QD       LYS  37   0.394   8.235  -7.073
  359    QE   LYS  37           QE       LYS  37  -1.745   9.097  -6.315
  360    QZ   LYS  37           QZ       LYS  37  -2.049   8.811  -8.531
  361    H    ASP  38           H        ASP  38  -2.533   5.807  -3.606
  362    HA   ASP  38           HA       ASP  38  -4.345   8.178  -3.754
  363   1HB   ASP  38          2HB       ASP  38  -3.813   7.473  -6.050
  364   2HB   ASP  38          1HB       ASP  38  -4.324   5.829  -5.670
  365    QB   ASP  38           QB       ASP  38  -4.069   6.651  -5.860
  366    H    VAL  39           H        VAL  39  -5.106   7.624  -1.634
  367    HA   VAL  39           HA       VAL  39  -5.980   5.089  -0.766
  368    HB   VAL  39           HB       VAL  39  -7.391   6.305   0.835
  369   1HG1  VAL  39          3HG1      VAL  39  -4.705   6.425   0.703
  370   2HG1  VAL  39          2HG1      VAL  39  -5.065   8.147   0.571
  371   3HG1  VAL  39          1HG1      VAL  39  -5.623   7.234   1.974
  372   1HG2  VAL  39          2HG2      VAL  39  -7.021   8.493  -1.188
  373   2HG2  VAL  39          1HG2      VAL  39  -8.487   7.993  -0.345
  374   3HG2  VAL  39          3HG2      VAL  39  -7.253   8.921   0.507
  375    QG1  VAL  39           QG1      VAL  39  -5.131   7.269   1.083
  376    QG2  VAL  39           QG2      VAL  39  -7.587   8.469  -0.342
  377    QQG  VAL  39           QQG      VAL  39  -6.359   7.869   0.370
  378    H    GLU  40           H        GLU  40  -7.608   7.482  -2.793
  379    HA   GLU  40           HA       GLU  40 -10.184   6.180  -2.781
  380   1HB   GLU  40          2HB       GLU  40  -8.902   8.102  -4.745
  381   2HB   GLU  40          1HB       GLU  40 -10.581   7.572  -4.841
  382   1HG   GLU  40          2HG       GLU  40 -10.970   8.453  -2.551
  383   2HG   GLU  40          1HG       GLU  40  -9.306   9.038  -2.512
  384    QB   GLU  40           QB       GLU  40  -9.742   7.837  -4.793
  385    QG   GLU  40           QG       GLU  40 -10.138   8.745  -2.531
  386    H    GLY  41           H        GLY  41  -7.202   5.391  -4.250
  387   1HA   GLY  41          2HA       GLY  41  -8.298   4.050  -6.592
  388   2HA   GLY  41          1HA       GLY  41  -6.644   3.903  -5.996
  389    QA   GLY  41           QA       GLY  41  -7.471   3.976  -6.294
  390    H    ALA  42           H        ALA  42  -8.501   3.341  -3.355
  391    HA   ALA  42           HA       ALA  42  -9.336   0.601  -3.897
  392   1HB   ALA  42          3HB       ALA  42  -6.676   1.190  -2.722
  393   2HB   ALA  42          2HB       ALA  42  -7.626  -0.037  -1.884
  394   3HB   ALA  42          1HB       ALA  42  -7.232  -0.241  -3.590
  395    QB   ALA  42           QB       ALA  42  -7.178   0.304  -2.732
  396    H    SER  43           H        SER  43 -10.877   0.022  -2.402
  397    HA   SER  43           HA       SER  43 -11.659   1.992  -0.406
  398   1HB   SER  43          2HB       SER  43 -12.983  -0.547  -0.073
  399   2HB   SER  43          1HB       SER  43 -13.649   0.978  -0.646
  400    HG   SER  43           HG       SER  43 -13.815  -0.500  -2.298
  401    QB   SER  43           QB       SER  43 -13.316   0.215  -0.360
  402    H    GLN  44           H        GLN  44 -12.081   1.277   1.895
  403    HA   GLN  44           HA       GLN  44  -9.701   0.497   3.188
  404   1HB   GLN  44          2HB       GLN  44 -11.207   0.045   5.179
  405   2HB   GLN  44          1HB       GLN  44 -11.406   1.636   4.446
  406   1HG   GLN  44          2HG       GLN  44 -13.352   0.820   3.175
  407   2HG   GLN  44          1HG       GLN  44 -13.153  -0.780   3.891
  408   1HE2  GLN  44          2HE2      GLN  44 -14.495   2.284   6.293
  409   2HE2  GLN  44          1HE2      GLN  44 -13.543   2.655   4.938
  410    QB   GLN  44           QB       GLN  44 -11.306   0.841   4.813
  411    QG   GLN  44           QG       GLN  44 -13.252   0.020   3.533
  412    QE2  GLN  44           QE2      GLN  44 -14.019   2.469   5.616
  413    H    GLU  45           H        GLU  45 -12.527  -1.491   2.291
  414    HA   GLU  45           HA       GLU  45 -11.466  -3.919   3.439
  415   1HB   GLU  45          2HB       GLU  45 -13.581  -3.381   1.341
  416   2HB   GLU  45          1HB       GLU  45 -13.168  -5.011   1.877
  417   1HG   GLU  45          2HG       GLU  45 -13.794  -2.898   3.918
  418   2HG   GLU  45          1HG       GLU  45 -15.114  -3.708   3.073
  419    QB   GLU  45           QB       GLU  45 -13.374  -4.196   1.609
  420    QG   GLU  45           QG       GLU  45 -14.454  -3.303   3.496
  421    H    GLU  46           H        GLU  46 -10.565  -2.095   0.737
  422    HA   GLU  46           HA       GLU  46  -9.484  -4.439  -0.743
  423   1HB   GLU  46          2HB       GLU  46  -9.265  -1.485  -1.416
  424   2HB   GLU  46          1HB       GLU  46  -8.952  -2.845  -2.490
  425   1HG   GLU  46          2HG       GLU  46 -11.443  -3.490  -1.903
  426   2HG   GLU  46          1HG       GLU  46 -11.569  -1.778  -1.499
  427    QB   GLU  46           QB       GLU  46  -9.109  -2.165  -1.953
  428    QG   GLU  46           QG       GLU  46 -11.506  -2.634  -1.701
  429    H    VAL  47           H        VAL  47  -8.584  -1.462   0.852
  430    HA   VAL  47           HA       VAL  47  -5.761  -1.743   0.690
  431    HB   VAL  47           HB       VAL  47  -7.536  -0.407   2.760
  432   1HG1  VAL  47          2HG1      VAL  47  -4.821  -1.047   2.946
  433   2HG1  VAL  47          1HG1      VAL  47  -4.860   0.653   2.474
  434   3HG1  VAL  47          3HG1      VAL  47  -5.703   0.122   3.929
  435   1HG2  VAL  47          2HG2      VAL  47  -6.895   0.237   0.070
  436   2HG2  VAL  47          1HG2      VAL  47  -7.732   1.250   1.244
  437   3HG2  VAL  47          3HG2      VAL  47  -5.978   1.350   1.085
  438    QG1  VAL  47           QG1      VAL  47  -5.128  -0.091   3.116
  439    QG2  VAL  47           QG2      VAL  47  -6.868   0.946   0.800
  440    QQG  VAL  47           QQG      VAL  47  -5.998   0.427   1.958
  441    H    GLU  48           H        GLU  48  -8.224  -2.956   2.935
  442    HA   GLU  48           HA       GLU  48  -6.456  -4.104   4.847
  443   1HB   GLU  48          2HB       GLU  48  -9.249  -3.838   4.316
  444   2HB   GLU  48          1HB       GLU  48  -8.904  -5.525   4.628
  445   1HG   GLU  48          2HG       GLU  48  -7.404  -4.282   6.552
  446   2HG   GLU  48          1HG       GLU  48  -8.806  -3.221   6.433
  447    QB   GLU  48           QB       GLU  48  -9.077  -4.682   4.472
  448    QG   GLU  48           QG       GLU  48  -8.105  -3.751   6.492
  449    H    GLU  49           H        GLU  49  -8.458  -5.669   2.298
  450    HA   GLU  49           HA       GLU  49  -7.344  -8.241   2.497
  451   1HB   GLU  49          2HB       GLU  49  -9.280  -7.767   1.066
  452   2HB   GLU  49          1HB       GLU  49  -8.269  -6.803  -0.011
  453   1HG   GLU  49          2HG       GLU  49  -6.835  -9.096   0.024
  454   2HG   GLU  49          1HG       GLU  49  -8.453  -9.753   0.273
  455    QB   GLU  49           QB       GLU  49  -8.775  -7.285   0.528
  456    QG   GLU  49           QG       GLU  49  -7.644  -9.424   0.149
  457    H    ALA  50           H        ALA  50  -6.245  -5.515   0.471
  458    HA   ALA  50           HA       ALA  50  -4.000  -6.846  -0.686
  459   1HB   ALA  50          2HB       ALA  50  -5.052  -4.536  -1.260
  460   2HB   ALA  50          1HB       ALA  50  -4.001  -3.909   0.008
  461   3HB   ALA  50          3HB       ALA  50  -3.304  -4.706  -1.401
  462    QB   ALA  50           QB       ALA  50  -4.119  -4.384  -0.884
  463    H    MET  51           H        MET  51  -4.522  -5.376   2.440
  464    HA   MET  51           HA       MET  51  -1.750  -5.112   3.194
  465   1HB   MET  51          2HB       MET  51  -4.064  -4.197   4.241
  466   2HB   MET  51          1HB       MET  51  -3.796  -5.584   5.299
  467   1HG   MET  51          2HG       MET  51  -1.368  -4.674   5.499
  468   2HG   MET  51          1HG       MET  51  -2.047  -3.167   4.883
  469   1HE   MET  51          3HE       MET  51  -1.233  -2.023   6.626
  470   2HE   MET  51          2HE       MET  51  -2.829  -1.307   6.838
  471   3HE   MET  51          1HE       MET  51  -1.923  -1.852   8.247
  472    QB   MET  51           QB       MET  51  -3.930  -4.891   4.770
  473    QG   MET  51           QG       MET  51  -1.707  -3.920   5.191
  474    QE   MET  51           QE       MET  51  -1.995  -1.727   7.237
  475    H    ASP  52           H        ASP  52  -4.028  -7.783   3.262
  476    HA   ASP  52           HA       ASP  52  -2.197  -9.365   4.974
  477   1HB   ASP  52          2HB       ASP  52  -4.890  -9.309   4.922
  478   2HB   ASP  52          1HB       ASP  52  -4.613 -10.612   3.766
  479    QB   ASP  52           QB       ASP  52  -4.752  -9.961   4.344
  480    H    THR  53           H        THR  53  -2.625  -8.729   1.683
  481    HA   THR  53           HA       THR  53  -1.835 -11.424   0.786
  482    HB   THR  53           HB       THR  53  -2.146  -8.855  -0.793
  483    HG1  THR  53          1HG       THR  53  -3.950 -10.954  -0.961
  484   1HG2  THR  53          2HG2      THR  53  -0.709 -10.754  -1.739
  485   2HG2  THR  53          1HG2      THR  53  -2.197 -11.699  -1.805
  486   3HG2  THR  53          3HG2      THR  53  -2.054 -10.212  -2.742
  487    QG2  THR  53           QG2      THR  53  -1.653 -10.889  -2.096
  488    H    CYS  54           H        CYS  54  -0.294  -8.481   1.719
  489    HA   CYS  54           HA       CYS  54   2.093  -8.749   0.115
  490   1HB   CYS  54          1HB       CYS  54   1.368  -6.647   1.328
  491   2HB   CYS  54          2HB       CYS  54   1.864  -7.422   2.829
  492    QB   CYS  54           QB       CYS  54   1.616  -7.035   2.078
  493    HA   PRO  55           HA       PRO  55   4.053 -11.964   2.373
  494   1HB   PRO  55          2HB       PRO  55   6.607 -11.587   1.533
  495   2HB   PRO  55          1HB       PRO  55   5.356 -12.287   0.509
  496   1HG   PRO  55          2HG       PRO  55   6.494  -9.542   0.467
  497   2HG   PRO  55          1HG       PRO  55   5.861 -10.515  -0.867
  498   1HD   PRO  55          2HD       PRO  55   4.513  -8.430   0.392
  499   2HD   PRO  55          1HD       PRO  55   3.763  -9.684  -0.615
  500    QB   PRO  55           QB       PRO  55   5.982 -11.937   1.021
  501    QG   PRO  55           QG       PRO  55   6.178 -10.029  -0.200
  502    QD   PRO  55           QD       PRO  55   4.138  -9.057  -0.111
  503    H    VAL  56           H        VAL  56   6.233  -9.119   2.256
  504    HA   VAL  56           HA       VAL  56   7.007  -9.535   5.050
  505    HB   VAL  56           HB       VAL  56   7.679  -7.363   3.041
  506   1HG1  VAL  56          2HG1      VAL  56   8.573  -7.814   5.895
  507   2HG1  VAL  56          1HG1      VAL  56   9.515  -6.857   4.750
  508   3HG1  VAL  56          3HG1      VAL  56   7.885  -6.351   5.193
  509   1HG2  VAL  56          1HG2      VAL  56   8.522  -9.878   2.930
  510   2HG2  VAL  56          3HG2      VAL  56   9.636  -8.545   2.622
  511   3HG2  VAL  56          2HG2      VAL  56   9.619  -9.334   4.199
  512    QG1  VAL  56           QG1      VAL  56   8.658  -7.007   5.279
  513    QG2  VAL  56           QG2      VAL  56   9.259  -9.252   3.250
  514    QQG  VAL  56           QQG      VAL  56   8.958  -8.130   4.265
  515    H    GLN  57           H        GLN  57   4.387  -8.108   3.529
  516    HA   GLN  57           HA       GLN  57   2.819  -6.482   4.190
  517   1HB   GLN  57          2HB       GLN  57   3.673  -7.801   6.774
  518   2HB   GLN  57          1HB       GLN  57   2.381  -6.601   6.720
  519   1HG   GLN  57          2HG       GLN  57   1.024  -7.954   5.328
  520   2HG   GLN  57          1HG       GLN  57   2.376  -8.998   4.885
  521   1HE2  GLN  57          2HE2      GLN  57   1.781 -11.205   7.554
  522   2HE2  GLN  57          1HE2      GLN  57   2.485 -10.934   6.033
  523    QB   GLN  57           QB       GLN  57   3.027  -7.201   6.747
  524    QG   GLN  57           QG       GLN  57   1.700  -8.476   5.106
  525    QE2  GLN  57           QE2      GLN  57   2.133 -11.069   6.793
  526    H    CYS  58           H        CYS  58   4.533  -4.845   3.470
  527    HA   CYS  58           HA       CYS  58   5.800  -3.391   5.724
  528   1HB   CYS  58          2HB       CYS  58   5.963  -2.481   2.868
  529   2HB   CYS  58          1HB       CYS  58   7.176  -2.372   4.143
  530    HG   CYS  58           HG       CYS  58   7.157  -5.169   3.836
  531    QB   CYS  58           QB       CYS  58   6.569  -2.426   3.505
  532    H    ILE  59           H        ILE  59   2.817  -3.478   5.011
  533    HA   ILE  59           HA       ILE  59   2.384  -0.567   4.538
  534    HB   ILE  59           HB       ILE  59   1.182  -2.098   3.027
  535   1HG1  ILE  59          2HG1      ILE  59  -1.057  -1.204   4.736
  536   2HG1  ILE  59          1HG1      ILE  59   0.133   0.047   4.374
  537   1HG2  ILE  59          1HG2      ILE  59   1.073  -4.010   4.608
  538   2HG2  ILE  59          3HG2      ILE  59  -0.111  -3.126   5.572
  539   3HG2  ILE  59          2HG2      ILE  59  -0.509  -3.629   3.928
  540   1HD1  ILE  59          3HD1      ILE  59  -0.076  -0.906   1.917
  541   2HD1  ILE  59          2HD1      ILE  59  -1.638  -1.481   2.500
  542   3HD1  ILE  59          1HD1      ILE  59  -1.265   0.243   2.528
  543    QG1  ILE  59           QG1      ILE  59  -0.462  -0.579   4.555
  544    QG2  ILE  59           QG2      ILE  59   0.151  -3.588   4.703
  545    QD1  ILE  59           QD1      ILE  59  -0.993  -0.715   2.315
  546    H    HIS  60           H        HIS  60   1.295   0.677   6.055
  547    HA   HIS  60           HA       HIS  60   0.164  -0.630   8.451
  548   1HB   HIS  60          2HB       HIS  60   2.159   1.577   8.887
  549   2HB   HIS  60          1HB       HIS  60   1.608   0.338  10.015
  550    HD1  HIS  60          1HD       HIS  60   4.045   0.954   7.246
  551    HD2  HIS  60          2HD       HIS  60   2.885  -2.214   9.698
  552    HE1  HIS  60          1HE       HIS  60   5.787  -0.860   6.947
  553    QB   HIS  60           QB       HIS  60   1.884   0.957   9.451
  554    H    TRP  61           H        TRP  61  -1.449   0.649   9.391
  555    HA   TRP  61           HA       TRP  61  -2.653   2.690   7.811
  556   1HB   TRP  61          2HB       TRP  61  -2.963   2.158  10.780
  557   2HB   TRP  61          1HB       TRP  61  -4.044   3.138   9.803
  558    HD1  TRP  61           HD       TRP  61  -2.764  -0.506  10.022
  559    HE1  TRP  61          1HE       TRP  61  -4.598  -2.040   9.048
  560    HE3  TRP  61          3HE       TRP  61  -6.066   3.011   8.453
  561    HZ2  TRP  61          2HZ       TRP  61  -7.152  -1.788   7.763
  562    HZ3  TRP  61          3HZ       TRP  61  -8.202   2.361   7.357
  563    HH2  TRP  61           HH       TRP  61  -8.746  -0.037   7.012
  564    QB   TRP  61           QB       TRP  61  -3.504   2.648  10.291
  565    H    GLU  62           H        GLU  62  -3.116   4.946   8.867
  566    HA   GLU  62           HA       GLU  62  -0.547   6.050   9.911
  567   1HB   GLU  62          2HB       GLU  62  -0.467   6.829   7.725
  568   2HB   GLU  62          1HB       GLU  62  -2.222   6.890   7.561
  569   1HG   GLU  62          2HG       GLU  62  -1.263   9.164   7.663
  570   2HG   GLU  62          1HG       GLU  62  -2.274   8.856   9.075
  571    QB   GLU  62           QB       GLU  62  -1.345   6.860   7.643
  572    QG   GLU  62           QG       GLU  62  -1.769   9.010   8.369
  573    H    ASP  63           H        ASP  63  -1.136   6.476  12.017
  574    HA   ASP  63           HA       ASP  63  -3.728   7.895  12.455
  575   1HB   ASP  63          2HB       ASP  63  -2.672   5.669  13.742
  576   2HB   ASP  63          1HB       ASP  63  -2.311   6.990  14.853
  577    QB   ASP  63           QB       ASP  63  -2.492   6.330  14.298
  578    H    GLU  64           H        GLU  64  -3.256  10.065  12.303
  579    HA   GLU  64           HA       GLU  64  -1.291  11.132  14.249
  580   1HB   GLU  64          2HB       GLU  64  -0.425  12.701  12.450
  581   2HB   GLU  64          1HB       GLU  64   0.056  11.015  12.261
  582   1HG   GLU  64          2HG       GLU  64  -0.695  11.398  10.119
  583   2HG   GLU  64          1HG       GLU  64  -2.230  10.936  10.858
  584    QB   GLU  64           QB       GLU  64  -0.185  11.858  12.356
  585    QG   GLU  64           QG       GLU  64  -1.462  11.167  10.488
   
  No H/Q in entry =         585
  Start of MODEL    6
    1    HA   ALA   1           HA       ALA   1 -10.130  10.779   7.526
    2   1HB   ALA   1          3HB       ALA   1  -9.197  12.779   9.423
    3   2HB   ALA   1          2HB       ALA   1  -7.866  12.134   8.463
    4   3HB   ALA   1          1HB       ALA   1  -9.261  12.857   7.661
    5    QB   ALA   1           QB       ALA   1  -8.775  12.590   8.516
    6    H    ARG   2           H        ARG   2  -9.887   8.379   8.189
    7    HA   ARG   2           HA       ARG   2  -7.411   7.589   9.486
    8   1HB   ARG   2          2HB       ARG   2  -8.024   5.308   8.597
    9   2HB   ARG   2          1HB       ARG   2  -9.290   6.066   9.563
   10   1HG   ARG   2          2HG       ARG   2  -9.753   6.978   6.955
   11   2HG   ARG   2          1HG       ARG   2  -9.344   5.273   6.766
   12   1HD   ARG   2          2HD       ARG   2 -11.012   4.736   8.564
   13   2HD   ARG   2          1HD       ARG   2 -11.493   6.434   8.562
   14    HE   ARG   2           HE       ARG   2 -11.979   4.501   6.360
   15   1HH1  ARG   2          1HH1      ARG   2 -11.372   7.211   5.265
   16   2HH1  ARG   2          2HH1      ARG   2 -12.937   7.953   5.228
   17   1HH2  ARG   2          1HH2      ARG   2 -14.373   5.647   7.384
   18   2HH2  ARG   2          2HH2      ARG   2 -14.636   7.068   6.429
   19    QB   ARG   2           QB       ARG   2  -8.657   5.687   9.080
   20    QG   ARG   2           QG       ARG   2  -9.548   6.125   6.861
   21    QD   ARG   2           QD       ARG   2 -11.253   5.585   8.563
   22    QH1  ARG   2           QH1      ARG   2 -12.154   7.582   5.246
   23    QH2  ARG   2           QH2      ARG   2 -14.505   6.357   6.906
   24    H    LYS   3           H        LYS   3  -5.469   7.907   8.512
   25    HA   LYS   3           HA       LYS   3  -5.345   7.647   5.536
   26   1HB   LYS   3          2HB       LYS   3  -4.593   9.798   7.005
   27   2HB   LYS   3          1HB       LYS   3  -3.080   8.892   6.994
   28   1HG   LYS   3          2HG       LYS   3  -3.981   8.688   4.370
   29   2HG   LYS   3          1HG       LYS   3  -4.381  10.345   4.820
   30   1HD   LYS   3          2HD       LYS   3  -1.922  10.278   5.846
   31   2HD   LYS   3          1HD       LYS   3  -1.706   9.031   4.618
   32   1HE   LYS   3          2HE       LYS   3  -2.975  11.667   3.906
   33   2HE   LYS   3          1HE       LYS   3  -1.220  11.503   3.964
   34   1HZ   LYS   3          3HZ       LYS   3  -1.954   9.324   2.571
   35   2HZ   LYS   3          2HZ       LYS   3  -3.108  10.457   2.051
   36   3HZ   LYS   3          1HZ       LYS   3  -1.451  10.787   1.875
   37    QB   LYS   3           QB       LYS   3  -3.836   9.345   6.999
   38    QG   LYS   3           QG       LYS   3  -4.181   9.516   4.595
   39    QD   LYS   3           QD       LYS   3  -1.814   9.655   5.232
   40    QE   LYS   3           QE       LYS   3  -2.097  11.585   3.935
   41    QZ   LYS   3           QZ       LYS   3  -2.171  10.190   2.165
   42    H    PHE   4           H        PHE   4  -2.642   7.288   5.209
   43    HA   PHE   4           HA       PHE   4  -1.346   5.426   6.878
   44   1HB   PHE   4          2HB       PHE   4  -1.870   3.295   5.930
   45   2HB   PHE   4          1HB       PHE   4  -3.423   4.072   6.213
   46    HD1  PHE   4          1HD       PHE   4  -4.402   5.481   4.239
   47    HD2  PHE   4          2HD       PHE   4  -1.356   2.487   3.789
   48    HE1  PHE   4          1HE       PHE   4  -4.947   5.288   1.827
   49    HE2  PHE   4          2HE       PHE   4  -1.900   2.295   1.377
   50    HZ   PHE   4           HZ       PHE   4  -3.696   3.695   0.395
   51    QB   PHE   4           QB       PHE   4  -2.646   3.683   6.071
   52    QD   PHE   4           QD       PHE   4  -2.879   3.984   4.014
   53    QE   PHE   4           QE       PHE   4  -3.424   3.792   1.602
   54    QR   PHE   4           QR       PHE   4  -3.260   3.849   2.326
   55    H    TYR   5           H        TYR   5  -0.070   3.781   4.965
   56    HA   TYR   5           HA       TYR   5   0.676   4.931   2.541
   57   1HB   TYR   5          2HB       TYR   5   2.817   6.025   3.080
   58   2HB   TYR   5          1HB       TYR   5   1.489   6.879   3.838
   59    HD1  TYR   5          1HD       TYR   5   1.165   6.831   6.262
   60    HD2  TYR   5          2HD       TYR   5   4.342   4.625   4.397
   61    HE1  TYR   5          1HE       TYR   5   2.216   6.469   8.478
   62    HE2  TYR   5          2HE       TYR   5   5.395   4.264   6.613
   63    HH   TYR   5           HH       TYR   5   5.317   5.569   8.918
   64    QB   TYR   5           QB       TYR   5   2.153   6.452   3.459
   65    QD   TYR   5           QD       TYR   5   2.754   5.728   5.329
   66    QE   TYR   5           QE       TYR   5   3.806   5.366   7.546
   67    QR   TYR   5           QR       TYR   5   3.280   5.547   6.437
   68    H    VAL   6           H        VAL   6   3.184   4.145   2.187
   69    HA   VAL   6           HA       VAL   6   3.550   1.737   3.860
   70    HB   VAL   6           HB       VAL   6   3.642   1.474   0.867
   71   1HG1  VAL   6          2HG1      VAL   6   4.072  -0.128   3.272
   72   2HG1  VAL   6          1HG1      VAL   6   3.008  -0.901   2.098
   73   3HG1  VAL   6          3HG1      VAL   6   4.631  -0.402   1.622
   74   1HG2  VAL   6          1HG2      VAL   6   1.303   1.451   2.718
   75   2HG2  VAL   6          3HG2      VAL   6   1.355   1.775   0.990
   76   3HG2  VAL   6          2HG2      VAL   6   1.403   0.117   1.576
   77    QG1  VAL   6           QG1      VAL   6   3.903  -0.477   2.331
   78    QG2  VAL   6           QG2      VAL   6   1.354   1.114   1.761
   79    QQG  VAL   6           QQG      VAL   6   2.628   0.319   2.046
   80    H    ASP   7           H        ASP   7   5.619   0.786   3.702
   81    HA   ASP   7           HA       ASP   7   7.681   2.709   2.787
   82   1HB   ASP   7          2HB       ASP   7   7.445   0.791   5.008
   83   2HB   ASP   7          1HB       ASP   7   9.013   0.772   4.209
   84    QB   ASP   7           QB       ASP   7   8.229   0.782   4.608
   85    H    GLN   8           H        GLN   8   7.161   1.911   0.597
   86    HA   GLN   8           HA       GLN   8   7.342  -0.615  -0.462
   87   1HB   GLN   8          2HB       GLN   8   8.502   0.448  -2.448
   88   2HB   GLN   8          1HB       GLN   8   7.044   1.289  -1.921
   89   1HG   GLN   8          2HG       GLN   8   9.391   2.236  -0.488
   90   2HG   GLN   8          1HG       GLN   8   9.573   2.428  -2.232
   91   1HE2  GLN   8          2HE2      GLN   8   6.959   4.786  -0.223
   92   2HE2  GLN   8          1HE2      GLN   8   7.921   3.642   0.581
   93    QB   GLN   8           QB       GLN   8   7.773   0.868  -2.184
   94    QG   GLN   8           QG       GLN   8   9.482   2.332  -1.360
   95    QE2  GLN   8           QE2      GLN   8   7.440   4.214   0.179
   96    H    ASP   9           H        ASP   9   9.878   1.172   1.088
   97    HA   ASP   9           HA       ASP   9  12.188  -0.105   0.092
   98   1HB   ASP   9          2HB       ASP   9  11.501   1.508   2.375
   99   2HB   ASP   9          1HB       ASP   9  12.529   0.174   2.899
  100    QB   ASP   9           QB       ASP   9  12.015   0.841   2.637
  101    H    GLU  10           H        GLU  10   9.743  -1.251   2.337
  102    HA   GLU  10           HA       GLU  10  11.291  -3.759   2.768
  103   1HB   GLU  10          2HB       GLU  10  10.255  -2.531   4.734
  104   2HB   GLU  10          1HB       GLU  10   8.677  -2.929   4.058
  105   1HG   GLU  10          2HG       GLU  10   8.819  -4.879   5.185
  106   2HG   GLU  10          1HG       GLU  10  10.051  -5.353   4.015
  107    QB   GLU  10           QB       GLU  10   9.466  -2.730   4.396
  108    QG   GLU  10           QG       GLU  10   9.435  -5.116   4.600
  109    H    CYS  11           H        CYS  11   9.443  -2.692   0.399
  110    HA   CYS  11           HA       CYS  11   7.375  -4.737   0.285
  111   1HB   CYS  11          1HB       CYS  11   6.880  -2.709  -0.874
  112   2HB   CYS  11          2HB       CYS  11   8.421  -2.742  -1.741
  113    QB   CYS  11           QB       CYS  11   7.650  -2.725  -1.308
  114    H    ILE  12           H        ILE  12   7.708  -6.807  -0.285
  115    HA   ILE  12           HA       ILE  12  10.271  -7.733  -1.257
  116    HB   ILE  12           HB       ILE  12   9.226  -9.933  -1.310
  117   1HG1  ILE  12          2HG1      ILE  12   6.565  -8.674  -0.665
  118   2HG1  ILE  12          1HG1      ILE  12   7.062  -8.887  -2.343
  119   1HG2  ILE  12          1HG2      ILE  12   9.058  -8.121   0.948
  120   2HG2  ILE  12          3HG2      ILE  12   7.785  -9.339   1.032
  121   3HG2  ILE  12          2HG2      ILE  12   9.474  -9.835   0.928
  122   1HD1  ILE  12          1HD1      ILE  12   7.417 -11.301  -1.923
  123   2HD1  ILE  12          3HD1      ILE  12   6.885 -11.081  -0.257
  124   3HD1  ILE  12          2HD1      ILE  12   5.752 -10.826  -1.585
  125    QG1  ILE  12           QG1      ILE  12   6.813  -8.781  -1.504
  126    QG2  ILE  12           QG2      ILE  12   8.772  -9.098   0.970
  127    QD1  ILE  12           QD1      ILE  12   6.685 -11.069  -1.255
  128    H    ALA  13           H        ALA  13   8.943  -9.712  -3.145
  129    HA   ALA  13           HA       ALA  13   8.774  -7.853  -5.478
  130   1HB   ALA  13          2HB       ALA  13  10.620  -9.744  -5.203
  131   2HB   ALA  13          1HB       ALA  13   9.324 -10.776  -5.807
  132   3HB   ALA  13          3HB       ALA  13   9.892  -9.415  -6.775
  133    QB   ALA  13           QB       ALA  13   9.945  -9.979  -5.928
  134    H    CYS  14           H        CYS  14   6.409  -8.007  -4.252
  135    HA   CYS  14           HA       CYS  14   4.853  -9.805  -6.038
  136   1HB   CYS  14          1HB       CYS  14   3.966 -11.019  -4.365
  137   2HB   CYS  14          2HB       CYS  14   5.196 -10.322  -3.314
  138    QB   CYS  14           QB       CYS  14   4.581 -10.670  -3.839
  139    H    GLU  15           H        GLU  15   2.658  -9.053  -6.394
  140    HA   GLU  15           HA       GLU  15   2.315  -6.157  -5.721
  141   1HB   GLU  15          2HB       GLU  15   1.246  -5.837  -7.846
  142   2HB   GLU  15          1HB       GLU  15   2.728  -6.738  -8.165
  143   1HG   GLU  15          2HG       GLU  15   1.244  -8.853  -7.907
  144   2HG   GLU  15          1HG       GLU  15  -0.111  -7.746  -8.130
  145    QB   GLU  15           QB       GLU  15   1.987  -6.287  -8.005
  146    QG   GLU  15           QG       GLU  15   0.566  -8.300  -8.018
  147    H    SER  16           H        SER  16   1.340  -8.785  -4.428
  148    HA   SER  16           HA       SER  16  -1.358  -9.299  -4.755
  149   1HB   SER  16          2HB       SER  16   0.492  -9.875  -2.799
  150   2HB   SER  16          1HB       SER  16  -0.654  -8.858  -1.928
  151    HG   SER  16           HG       SER  16  -0.990 -11.359  -3.116
  152    QB   SER  16           QB       SER  16  -0.081  -9.366  -2.363
  153    H    CYS  17           H        CYS  17  -0.130  -6.807  -2.492
  154    HA   CYS  17           HA       CYS  17  -2.558  -5.573  -1.875
  155   1HB   CYS  17          1HB       CYS  17  -1.282  -3.615  -1.298
  156   2HB   CYS  17          2HB       CYS  17  -0.259  -5.010  -0.950
  157    QB   CYS  17           QB       CYS  17  -0.770  -4.313  -1.124
  158    H    VAL  18           H        VAL  18  -0.391  -4.822  -4.611
  159    HA   VAL  18           HA       VAL  18  -1.828  -2.737  -5.787
  160    HB   VAL  18           HB       VAL  18  -0.611  -4.979  -7.408
  161   1HG1  VAL  18          2HG1      VAL  18  -1.415  -2.164  -7.825
  162   2HG1  VAL  18          1HG1      VAL  18   0.162  -2.593  -8.489
  163   3HG1  VAL  18          3HG1      VAL  18  -1.277  -3.480  -8.991
  164   1HG2  VAL  18          2HG2      VAL  18   0.628  -3.325  -5.369
  165   2HG2  VAL  18          1HG2      VAL  18   1.335  -4.634  -6.315
  166   3HG2  VAL  18          3HG2      VAL  18   1.328  -2.989  -6.953
  167    QG1  VAL  18           QG1      VAL  18  -0.843  -2.746  -8.435
  168    QG2  VAL  18           QG2      VAL  18   1.097  -3.649  -6.213
  169    QQG  VAL  18           QQG      VAL  18   0.127  -3.198  -7.324
  170    H    GLU  19           H        GLU  19  -2.502  -6.222  -5.930
  171    HA   GLU  19           HA       GLU  19  -4.648  -5.911  -7.855
  172   1HB   GLU  19          2HB       GLU  19  -3.485  -8.114  -6.264
  173   2HB   GLU  19          1HB       GLU  19  -5.209  -8.275  -6.601
  174   1HG   GLU  19          2HG       GLU  19  -4.132  -9.310  -8.446
  175   2HG   GLU  19          1HG       GLU  19  -4.614  -7.721  -9.040
  176    QB   GLU  19           QB       GLU  19  -4.347  -8.195  -6.432
  177    QG   GLU  19           QG       GLU  19  -4.373  -8.516  -8.743
  178    H    ILE  20           H        ILE  20  -4.439  -5.987  -4.338
  179    HA   ILE  20           HA       ILE  20  -7.368  -5.813  -4.101
  180    HB   ILE  20           HB       ILE  20  -5.260  -5.485  -1.972
  181   1HG1  ILE  20          2HG1      ILE  20  -6.614  -7.886  -1.738
  182   2HG1  ILE  20          1HG1      ILE  20  -6.094  -7.762  -3.402
  183   1HG2  ILE  20          3HG2      ILE  20  -8.125  -5.200  -2.013
  184   2HG2  ILE  20          2HG2      ILE  20  -7.656  -6.532  -0.956
  185   3HG2  ILE  20          1HG2      ILE  20  -7.010  -4.915  -0.679
  186   1HD1  ILE  20          1HD1      ILE  20  -3.853  -6.912  -2.189
  187   2HD1  ILE  20          3HD1      ILE  20  -4.470  -7.986  -0.934
  188   3HD1  ILE  20          2HD1      ILE  20  -4.148  -8.614  -2.550
  189    QG1  ILE  20           QG1      ILE  20  -6.354  -7.824  -2.570
  190    QG2  ILE  20           QG2      ILE  20  -7.597  -5.549  -1.216
  191    QD1  ILE  20           QD1      ILE  20  -4.157  -7.837  -1.891
  192    H    ALA  21           H        ALA  21  -5.303  -3.737  -5.329
  193    HA   ALA  21           HA       ALA  21  -6.862  -1.404  -4.657
  194   1HB   ALA  21          3HB       ALA  21  -4.109  -1.675  -3.417
  195   2HB   ALA  21          2HB       ALA  21  -4.963  -0.139  -3.572
  196   3HB   ALA  21          1HB       ALA  21  -5.638  -1.426  -2.573
  197    QB   ALA  21           QB       ALA  21  -4.903  -1.080  -3.187
  198    HA   PRO  22           HA       PRO  22  -4.222  -1.421  -8.483
  199   1HB   PRO  22          2HB       PRO  22  -6.265  -1.305 -10.274
  200   2HB   PRO  22          1HB       PRO  22  -5.602  -2.823  -9.668
  201   1HG   PRO  22          2HG       PRO  22  -8.094  -1.398  -8.843
  202   2HG   PRO  22          1HG       PRO  22  -7.802  -3.137  -9.008
  203   1HD   PRO  22          2HD       PRO  22  -7.840  -1.828  -6.604
  204   2HD   PRO  22          1HD       PRO  22  -6.925  -3.321  -6.900
  205    QB   PRO  22           QB       PRO  22  -5.933  -2.064  -9.971
  206    QG   PRO  22           QG       PRO  22  -7.948  -2.267  -8.926
  207    QD   PRO  22           QD       PRO  22  -7.383  -2.574  -6.752
  208    H    GLY  23           H        GLY  23  -4.421   0.749  -6.902
  209   1HA   GLY  23          2HA       GLY  23  -4.572   2.960  -8.689
  210   2HA   GLY  23          1HA       GLY  23  -6.069   2.901  -7.756
  211    QA   GLY  23           QA       GLY  23  -5.321   2.930  -8.223
  212    H    ALA  24           H        ALA  24  -4.831   1.792  -5.365
  213    HA   ALA  24           HA       ALA  24  -3.617   4.301  -4.349
  214   1HB   ALA  24          3HB       ALA  24  -4.603   1.824  -2.898
  215   2HB   ALA  24          2HB       ALA  24  -3.994   3.282  -2.114
  216   3HB   ALA  24          1HB       ALA  24  -5.481   3.345  -3.062
  217    QB   ALA  24           QB       ALA  24  -4.693   2.817  -2.691
  218    H    PHE  25           H        PHE  25  -2.810   0.997  -5.098
  219    HA   PHE  25           HA       PHE  25  -0.033   1.496  -4.081
  220   1HB   PHE  25          2HB       PHE  25  -1.817  -0.560  -3.324
  221   2HB   PHE  25          1HB       PHE  25  -0.641  -1.310  -4.404
  222    HD1  PHE  25          1HD       PHE  25  -1.070  -1.487  -1.240
  223    HD2  PHE  25          2HD       PHE  25   1.690   0.561  -3.814
  224    HE1  PHE  25          1HE       PHE  25   0.621  -1.482   0.574
  225    HE2  PHE  25          2HE       PHE  25   3.375   0.565  -1.996
  226    HZ   PHE  25           HZ       PHE  25   2.843  -0.455   0.186
  227    QB   PHE  25           QB       PHE  25  -1.229  -0.935  -3.864
  228    QD   PHE  25           QD       PHE  25   0.310  -0.463  -2.527
  229    QE   PHE  25           QE       PHE  25   1.998  -0.459  -0.711
  230    QR   PHE  25           QR       PHE  25   1.492  -0.460  -1.258
  231    H    ALA  26           H        ALA  26   1.556   1.201  -5.553
  232    HA   ALA  26           HA       ALA  26   1.234  -0.490  -7.907
  233   1HB   ALA  26          1HB       ALA  26   1.152   2.526  -8.153
  234   2HB   ALA  26          3HB       ALA  26   1.657   1.489  -9.488
  235   3HB   ALA  26          2HB       ALA  26   0.026   1.351  -8.830
  236    QB   ALA  26           QB       ALA  26   0.945   1.789  -8.824
  237    H    MET  27           H        MET  27   3.286  -0.920  -8.840
  238    HA   MET  27           HA       MET  27   5.568  -0.184  -7.187
  239   1HB   MET  27          2HB       MET  27   5.323  -2.427  -8.283
  240   2HB   MET  27          1HB       MET  27   5.539  -1.638  -9.845
  241   1HG   MET  27          2HG       MET  27   7.702  -0.653  -8.624
  242   2HG   MET  27          1HG       MET  27   7.532  -2.130  -7.677
  243   1HE   MET  27          1HE       MET  27   7.677  -4.140  -8.165
  244   2HE   MET  27          3HE       MET  27   6.985  -4.747  -9.675
  245   3HE   MET  27          2HE       MET  27   8.724  -4.827  -9.404
  246    QB   MET  27           QB       MET  27   5.431  -2.032  -9.064
  247    QG   MET  27           QG       MET  27   7.617  -1.391  -8.150
  248    QE   MET  27           QE       MET  27   7.795  -4.571  -9.082
  249    H    ASP  28           H        ASP  28   7.484   1.083  -7.961
  250    HA   ASP  28           HA       ASP  28   6.742   2.747 -10.349
  251   1HB   ASP  28          2HB       ASP  28   6.989   3.668  -7.743
  252   2HB   ASP  28          1HB       ASP  28   8.586   3.963  -8.428
  253    QB   ASP  28           QB       ASP  28   7.787   3.816  -8.085
  254    HA   PRO  29           HA       PRO  29  10.741   1.485 -11.676
  255   1HB   PRO  29          2HB       PRO  29  11.407   3.504 -13.366
  256   2HB   PRO  29          1HB       PRO  29  10.157   2.319 -13.745
  257   1HG   PRO  29          2HG       PRO  29   9.863   5.148 -12.960
  258   2HG   PRO  29          1HG       PRO  29   8.747   4.112 -13.859
  259   1HD   PRO  29          2HD       PRO  29   8.594   4.844 -11.116
  260   2HD   PRO  29          1HD       PRO  29   7.560   3.700 -11.979
  261    QB   PRO  29           QB       PRO  29  10.782   2.912 -13.556
  262    QG   PRO  29           QG       PRO  29   9.305   4.630 -13.409
  263    QD   PRO  29           QD       PRO  29   8.077   4.272 -11.548
  264    H    GLU  30           H        GLU  30  10.205   4.395 -10.000
  265    HA   GLU  30           HA       GLU  30  13.071   5.054  -9.661
  266   1HB   GLU  30          2HB       GLU  30  10.818   6.619  -9.656
  267   2HB   GLU  30          1HB       GLU  30  11.058   6.365  -7.927
  268   1HG   GLU  30          2HG       GLU  30  13.517   6.995  -8.351
  269   2HG   GLU  30          1HG       GLU  30  12.967   7.599  -9.915
  270    QB   GLU  30           QB       GLU  30  10.938   6.492  -8.792
  271    QG   GLU  30           QG       GLU  30  13.242   7.297  -9.133
  272    H    ILE  31           H        ILE  31  10.349   3.617  -7.999
  273    HA   ILE  31           HA       ILE  31  12.108   2.913  -5.728
  274    HB   ILE  31           HB       ILE  31   9.776   2.204  -4.740
  275   1HG1  ILE  31          2HG1      ILE  31   9.032   4.392  -6.695
  276   2HG1  ILE  31          1HG1      ILE  31   8.631   2.690  -6.920
  277   1HG2  ILE  31          1HG2      ILE  31  10.840   5.026  -5.001
  278   2HG2  ILE  31          3HG2      ILE  31   9.508   4.602  -3.927
  279   3HG2  ILE  31          2HG2      ILE  31  11.103   3.893  -3.676
  280   1HD1  ILE  31          2HD1      ILE  31   7.845   4.281  -4.471
  281   2HD1  ILE  31          1HD1      ILE  31   6.791   4.061  -5.868
  282   3HD1  ILE  31          3HD1      ILE  31   7.297   2.665  -4.915
  283    QG1  ILE  31           QG1      ILE  31   8.832   3.541  -6.807
  284    QG2  ILE  31           QG2      ILE  31  10.484   4.507  -4.201
  285    QD1  ILE  31           QD1      ILE  31   7.311   3.669  -5.085
  286    H    GLU  32           H        GLU  32  10.991   1.732  -8.572
  287    HA   GLU  32           HA       GLU  32  10.421  -0.428  -9.346
  288   1HB   GLU  32          2HB       GLU  32  13.074  -0.320  -8.137
  289   2HB   GLU  32          1HB       GLU  32  12.400  -1.948  -8.061
  290   1HG   GLU  32          2HG       GLU  32  11.749  -1.023 -10.627
  291   2HG   GLU  32          1HG       GLU  32  13.411  -0.494 -10.362
  292    QB   GLU  32           QB       GLU  32  12.737  -1.134  -8.099
  293    QG   GLU  32           QG       GLU  32  12.580  -0.759 -10.494
  294    H    LYS  33           H        LYS  33   9.020   0.391  -7.015
  295    HA   LYS  33           HA       LYS  33   8.273  -2.280  -5.958
  296   1HB   LYS  33          2HB       LYS  33   9.484  -0.140  -4.195
  297   2HB   LYS  33          1HB       LYS  33   8.539  -1.488  -3.566
  298   1HG   LYS  33          2HG       LYS  33  11.071  -1.739  -5.221
  299   2HG   LYS  33          1HG       LYS  33  10.961  -1.972  -3.480
  300   1HD   LYS  33          2HD       LYS  33   9.432  -3.853  -3.785
  301   2HD   LYS  33          1HD       LYS  33   9.427  -3.599  -5.528
  302   1HE   LYS  33          2HE       LYS  33  11.009  -5.418  -4.568
  303   2HE   LYS  33          1HE       LYS  33  11.656  -4.301  -5.768
  304   1HZ   LYS  33          2HZ       LYS  33  11.845  -3.748  -2.871
  305   2HZ   LYS  33          1HZ       LYS  33  13.016  -4.679  -3.677
  306   3HZ   LYS  33          3HZ       LYS  33  12.750  -3.069  -4.139
  307    QB   LYS  33           QB       LYS  33   9.012  -0.814  -3.881
  308    QG   LYS  33           QG       LYS  33  11.016  -1.855  -4.351
  309    QD   LYS  33           QD       LYS  33   9.429  -3.726  -4.656
  310    QE   LYS  33           QE       LYS  33  11.333  -4.859  -5.168
  311    QZ   LYS  33           QZ       LYS  33  12.537  -3.832  -3.563
  312    H    ALA  34           H        ALA  34   6.259  -2.268  -4.854
  313    HA   ALA  34           HA       ALA  34   4.366  -0.364  -5.794
  314   1HB   ALA  34          1HB       ALA  34   4.290  -2.811  -4.421
  315   2HB   ALA  34          3HB       ALA  34   3.500  -1.655  -3.349
  316   3HB   ALA  34          2HB       ALA  34   2.907  -1.878  -4.995
  317    QB   ALA  34           QB       ALA  34   3.566  -2.114  -4.255
  318    H    TYR  35           H        TYR  35   3.432   1.420  -4.820
  319    HA   TYR  35           HA       TYR  35   4.251   2.199  -2.069
  320   1HB   TYR  35          2HB       TYR  35   5.142   4.298  -2.668
  321   2HB   TYR  35          1HB       TYR  35   5.859   3.207  -3.846
  322    HD1  TYR  35          1HD       TYR  35   4.615   2.937  -6.106
  323    HD2  TYR  35          2HD       TYR  35   3.925   6.173  -3.381
  324    HE1  TYR  35          1HE       TYR  35   3.606   4.261  -7.945
  325    HE2  TYR  35          2HE       TYR  35   2.927   7.507  -5.218
  326    HH   TYR  35           HH       TYR  35   3.084   6.473  -8.538
  327    QB   TYR  35           QB       TYR  35   5.500   3.753  -3.257
  328    QD   TYR  35           QD       TYR  35   4.270   4.555  -4.743
  329    QE   TYR  35           QE       TYR  35   3.267   5.884  -6.581
  330    QR   TYR  35           QR       TYR  35   3.768   5.219  -5.662
  331    H    VAL  36           H        VAL  36   2.973   4.143  -1.436
  332    HA   VAL  36           HA       VAL  36   0.200   3.603  -2.204
  333    HB   VAL  36           HB       VAL  36   0.825   5.819  -0.333
  334   1HG1  VAL  36          1HG1      VAL  36  -0.989   3.409  -0.422
  335   2HG1  VAL  36          3HG1      VAL  36  -0.812   4.373   1.044
  336   3HG1  VAL  36          2HG1      VAL  36  -1.443   5.113  -0.428
  337   1HG2  VAL  36          3HG2      VAL  36   2.014   3.129  -0.078
  338   2HG2  VAL  36          2HG2      VAL  36   2.491   4.652   0.665
  339   3HG2  VAL  36          1HG2      VAL  36   1.170   3.710   1.352
  340    QG1  VAL  36           QG1      VAL  36  -1.081   4.298   0.065
  341    QG2  VAL  36           QG2      VAL  36   1.892   3.831   0.646
  342    QQG  VAL  36           QQG      VAL  36   0.405   4.064   0.355
  343    H    LYS  37           H        LYS  37   0.496   4.397  -4.409
  344    HA   LYS  37           HA       LYS  37   1.142   7.135  -4.990
  345   1HB   LYS  37          2HB       LYS  37   0.605   6.607  -7.220
  346   2HB   LYS  37          1HB       LYS  37   1.105   5.053  -6.556
  347   1HG   LYS  37          2HG       LYS  37  -1.366   4.653  -6.017
  348   2HG   LYS  37          1HG       LYS  37  -1.706   6.033  -7.062
  349   1HD   LYS  37          2HD       LYS  37   0.164   4.239  -8.351
  350   2HD   LYS  37          1HD       LYS  37  -1.288   3.364  -7.864
  351   1HE   LYS  37          2HE       LYS  37  -2.146   4.180  -9.811
  352   2HE   LYS  37          1HE       LYS  37  -2.380   5.656  -8.874
  353   1HZ   LYS  37          1HZ       LYS  37   0.275   5.543  -9.804
  354   2HZ   LYS  37          3HZ       LYS  37  -0.774   5.297 -11.114
  355   3HZ   LYS  37          2HZ       LYS  37  -0.926   6.691 -10.155
  356    QB   LYS  37           QB       LYS  37   0.855   5.830  -6.888
  357    QG   LYS  37           QG       LYS  37  -1.536   5.343  -6.539
  358    QD   LYS  37           QD       LYS  37  -0.562   3.802  -8.107
  359    QE   LYS  37           QE       LYS  37  -2.263   4.918  -9.342
  360    QZ   LYS  37           QZ       LYS  37  -0.475   5.844 -10.358
  361    H    ASP  38           H        ASP  38  -1.532   5.902  -3.416
  362    HA   ASP  38           HA       ASP  38  -2.914   8.398  -3.465
  363   1HB   ASP  38          2HB       ASP  38  -3.341   7.864  -5.793
  364   2HB   ASP  38          1HB       ASP  38  -3.921   6.260  -5.356
  365    QB   ASP  38           QB       ASP  38  -3.631   7.062  -5.575
  366    H    VAL  39           H        VAL  39  -4.156   8.376  -1.650
  367    HA   VAL  39           HA       VAL  39  -4.600   5.858  -0.237
  368    HB   VAL  39           HB       VAL  39  -5.750   7.375   1.436
  369   1HG1  VAL  39          1HG1      VAL  39  -3.272   6.803   1.413
  370   2HG1  VAL  39          3HG1      VAL  39  -3.005   8.347   0.603
  371   3HG1  VAL  39          2HG1      VAL  39  -3.684   8.311   2.231
  372   1HG2  VAL  39          1HG2      VAL  39  -5.986   9.077  -0.719
  373   2HG2  VAL  39          3HG2      VAL  39  -6.164   9.563   0.967
  374   3HG2  VAL  39          2HG2      VAL  39  -4.617   9.770   0.147
  375    QG1  VAL  39           QG1      VAL  39  -3.321   7.821   1.416
  376    QG2  VAL  39           QG2      VAL  39  -5.589   9.470   0.131
  377    QQG  VAL  39           QQG      VAL  39  -4.455   8.645   0.774
  378    H    GLU  40           H        GLU  40  -6.511   8.075  -2.190
  379    HA   GLU  40           HA       GLU  40  -9.038   6.762  -1.471
  380   1HB   GLU  40          2HB       GLU  40  -8.237   8.991  -3.323
  381   2HB   GLU  40          1HB       GLU  40  -9.818   8.230  -3.503
  382   1HG   GLU  40          2HG       GLU  40 -10.047   8.607  -0.942
  383   2HG   GLU  40          1HG       GLU  40  -8.725   9.757  -1.149
  384    QB   GLU  40           QB       GLU  40  -9.027   8.610  -3.413
  385    QG   GLU  40           QG       GLU  40  -9.386   9.182  -1.046
  386    H    GLY  41           H        GLY  41  -6.466   6.114  -3.558
  387   1HA   GLY  41          2HA       GLY  41  -7.798   5.078  -5.856
  388   2HA   GLY  41          1HA       GLY  41  -6.199   4.576  -5.305
  389    QA   GLY  41           QA       GLY  41  -6.998   4.827  -5.581
  390    H    ALA  42           H        ALA  42  -7.505   3.849  -2.620
  391    HA   ALA  42           HA       ALA  42  -8.964   1.399  -3.499
  392   1HB   ALA  42          1HB       ALA  42  -6.337   1.554  -2.210
  393   2HB   ALA  42          3HB       ALA  42  -7.477   0.541  -1.323
  394   3HB   ALA  42          2HB       ALA  42  -7.114   0.189  -3.013
  395    QB   ALA  42           QB       ALA  42  -6.976   0.762  -2.182
  396    H    SER  43           H        SER  43 -10.645   0.835  -2.141
  397    HA   SER  43           HA       SER  43 -11.521   2.771  -0.177
  398   1HB   SER  43          2HB       SER  43 -12.841   0.215   0.090
  399   2HB   SER  43          1HB       SER  43 -13.493   1.738  -0.503
  400    HG   SER  43           HG       SER  43 -13.523   0.663  -2.326
  401    QB   SER  43           QB       SER  43 -13.167   0.976  -0.206
  402    H    GLN  44           H        GLN  44 -11.892   2.282   2.117
  403    HA   GLN  44           HA       GLN  44  -9.658   1.423   3.541
  404   1HB   GLN  44          2HB       GLN  44 -11.975   2.490   4.305
  405   2HB   GLN  44          1HB       GLN  44 -12.348   0.812   4.701
  406   1HG   GLN  44          2HG       GLN  44  -9.771   1.128   5.678
  407   2HG   GLN  44          1HG       GLN  44 -10.535   2.677   6.046
  408   1HE2  GLN  44          2HE2      GLN  44 -11.282   0.152   8.775
  409   2HE2  GLN  44          1HE2      GLN  44  -9.831   0.657   8.053
  410    QB   GLN  44           QB       GLN  44 -12.161   1.651   4.503
  411    QG   GLN  44           QG       GLN  44 -10.153   1.903   5.862
  412    QE2  GLN  44           QE2      GLN  44 -10.556   0.404   8.414
  413    H    GLU  45           H        GLU  45 -12.499  -0.546   2.634
  414    HA   GLU  45           HA       GLU  45 -11.497  -2.975   3.806
  415   1HB   GLU  45          2HB       GLU  45 -13.430  -2.638   1.492
  416   2HB   GLU  45          1HB       GLU  45 -13.232  -4.087   2.479
  417   1HG   GLU  45          2HG       GLU  45 -13.968  -1.403   3.664
  418   2HG   GLU  45          1HG       GLU  45 -15.179  -2.567   3.125
  419    QB   GLU  45           QB       GLU  45 -13.331  -3.362   1.985
  420    QG   GLU  45           QG       GLU  45 -14.574  -1.985   3.395
  421    H    GLU  46           H        GLU  46 -10.452  -1.202   1.131
  422    HA   GLU  46           HA       GLU  46  -9.379  -3.597  -0.282
  423   1HB   GLU  46          2HB       GLU  46  -9.169  -0.661  -1.026
  424   2HB   GLU  46          1HB       GLU  46  -8.809  -2.041  -2.056
  425   1HG   GLU  46          2HG       GLU  46 -11.281  -2.732  -1.577
  426   2HG   GLU  46          1HG       GLU  46 -11.478  -1.046  -1.100
  427    QB   GLU  46           QB       GLU  46  -8.989  -1.351  -1.541
  428    QG   GLU  46           QG       GLU  46 -11.379  -1.889  -1.338
  429    H    VAL  47           H        VAL  47  -8.526  -0.622   1.302
  430    HA   VAL  47           HA       VAL  47  -5.690  -0.843   1.159
  431    HB   VAL  47           HB       VAL  47  -7.098   0.365   3.529
  432   1HG1  VAL  47          1HG1      VAL  47  -4.580   0.370   3.112
  433   2HG1  VAL  47          3HG1      VAL  47  -4.913   1.468   1.773
  434   3HG1  VAL  47          2HG1      VAL  47  -5.328   1.937   3.422
  435   1HG2  VAL  47          1HG2      VAL  47  -7.498   1.051   0.676
  436   2HG2  VAL  47          3HG2      VAL  47  -8.509   1.418   2.073
  437   3HG2  VAL  47          2HG2      VAL  47  -7.095   2.413   1.722
  438    QG1  VAL  47           QG1      VAL  47  -4.940   1.258   2.769
  439    QG2  VAL  47           QG2      VAL  47  -7.701   1.627   1.490
  440    QQG  VAL  47           QQG      VAL  47  -6.320   1.443   2.130
  441    H    GLU  48           H        GLU  48  -8.121  -1.991   3.484
  442    HA   GLU  48           HA       GLU  48  -6.254  -3.152   5.319
  443   1HB   GLU  48          2HB       GLU  48  -9.066  -2.695   5.014
  444   2HB   GLU  48          1HB       GLU  48  -8.800  -4.376   5.431
  445   1HG   GLU  48          2HG       GLU  48  -7.037  -3.094   7.096
  446   2HG   GLU  48          1HG       GLU  48  -8.382  -1.957   7.029
  447    QB   GLU  48           QB       GLU  48  -8.933  -3.535   5.223
  448    QG   GLU  48           QG       GLU  48  -7.709  -2.526   7.063
  449    H    GLU  49           H        GLU  49  -8.550  -4.608   2.959
  450    HA   GLU  49           HA       GLU  49  -7.676  -7.274   3.212
  451   1HB   GLU  49          2HB       GLU  49  -9.650  -6.509   1.856
  452   2HB   GLU  49          1HB       GLU  49  -8.525  -5.935   0.624
  453   1HG   GLU  49          2HG       GLU  49  -7.591  -8.244   0.454
  454   2HG   GLU  49          1HG       GLU  49  -8.818  -8.791   1.598
  455    QB   GLU  49           QB       GLU  49  -9.088  -6.222   1.240
  456    QG   GLU  49           QG       GLU  49  -8.205  -8.518   1.026
  457    H    ALA  50           H        ALA  50  -6.443  -4.707   1.076
  458    HA   ALA  50           HA       ALA  50  -4.399  -6.287  -0.168
  459   1HB   ALA  50          2HB       ALA  50  -5.315  -3.901  -0.764
  460   2HB   ALA  50          1HB       ALA  50  -4.079  -3.340   0.363
  461   3HB   ALA  50          3HB       ALA  50  -3.616  -4.265  -1.065
  462    QB   ALA  50           QB       ALA  50  -4.337  -3.835  -0.489
  463    H    MET  51           H        MET  51  -4.728  -4.941   2.976
  464    HA   MET  51           HA       MET  51  -1.870  -4.774   3.566
  465   1HB   MET  51          2HB       MET  51  -4.151  -3.703   4.685
  466   2HB   MET  51          1HB       MET  51  -3.737  -4.978   5.829
  467   1HG   MET  51          2HG       MET  51  -1.402  -4.079   5.911
  468   2HG   MET  51          1HG       MET  51  -1.921  -2.747   4.878
  469   1HE   MET  51          1HE       MET  51  -2.439  -0.954   5.357
  470   2HE   MET  51          3HE       MET  51  -3.811  -0.488   6.372
  471   3HE   MET  51          2HE       MET  51  -2.164  -0.276   6.960
  472    QB   MET  51           QB       MET  51  -3.944  -4.341   5.257
  473    QG   MET  51           QG       MET  51  -1.661  -3.413   5.394
  474    QE   MET  51           QE       MET  51  -2.805  -0.572   6.230
  475    H    ASP  52           H        ASP  52  -4.537  -7.019   4.277
  476    HA   ASP  52           HA       ASP  52  -2.953  -8.797   5.900
  477   1HB   ASP  52          2HB       ASP  52  -5.591  -8.574   5.506
  478   2HB   ASP  52          1HB       ASP  52  -5.265  -9.849   4.332
  479    QB   ASP  52           QB       ASP  52  -5.428  -9.212   4.919
  480    H    THR  53           H        THR  53  -3.348  -8.395   2.455
  481    HA   THR  53           HA       THR  53  -2.422 -11.042   1.726
  482    HB   THR  53           HB       THR  53  -1.949  -9.832  -0.516
  483    HG1  THR  53          1HG       THR  53  -2.106  -7.761   0.890
  484   1HG2  THR  53          3HG2      THR  53  -4.010 -11.171   0.132
  485   2HG2  THR  53          2HG2      THR  53  -4.768  -9.637   0.562
  486   3HG2  THR  53          1HG2      THR  53  -4.269  -9.939  -1.102
  487    QG2  THR  53           QG2      THR  53  -4.349 -10.249  -0.136
  488    H    CYS  54           H        CYS  54  -0.826  -7.954   2.373
  489    HA   CYS  54           HA       CYS  54   1.739  -8.665   1.306
  490   1HB   CYS  54          1HB       CYS  54   0.910  -6.341   2.064
  491   2HB   CYS  54          2HB       CYS  54   1.342  -6.859   3.693
  492    QB   CYS  54           QB       CYS  54   1.126  -6.600   2.878
  493    HA   PRO  55           HA       PRO  55   3.089 -11.460   4.409
  494   1HB   PRO  55          2HB       PRO  55   5.752 -11.438   3.870
  495   2HB   PRO  55          1HB       PRO  55   4.570 -12.253   2.848
  496   1HG   PRO  55          2HG       PRO  55   5.978  -9.681   2.396
  497   2HG   PRO  55          1HG       PRO  55   5.373 -10.852   1.217
  498   1HD   PRO  55          2HD       PRO  55   4.147  -8.433   1.907
  499   2HD   PRO  55          1HD       PRO  55   3.390  -9.773   1.023
  500    QB   PRO  55           QB       PRO  55   5.161 -11.846   3.359
  501    QG   PRO  55           QG       PRO  55   5.676 -10.267   1.806
  502    QD   PRO  55           QD       PRO  55   3.768  -9.103   1.465
  503    H    VAL  56           H        VAL  56   5.676  -8.999   4.091
  504    HA   VAL  56           HA       VAL  56   5.982  -8.838   6.982
  505    HB   VAL  56           HB       VAL  56   7.859  -8.498   5.329
  506   1HG1  VAL  56          3HG1      VAL  56   6.174  -6.925   3.968
  507   2HG1  VAL  56          2HG1      VAL  56   6.935  -5.682   4.961
  508   3HG1  VAL  56          1HG1      VAL  56   7.921  -6.688   3.900
  509   1HG2  VAL  56          2HG2      VAL  56   7.626  -7.517   7.777
  510   2HG2  VAL  56          1HG2      VAL  56   8.972  -7.026   6.748
  511   3HG2  VAL  56          3HG2      VAL  56   7.567  -5.974   6.925
  512    QG1  VAL  56           QG1      VAL  56   7.010  -6.432   4.276
  513    QG2  VAL  56           QG2      VAL  56   8.055  -6.839   7.150
  514    QQG  VAL  56           QQG      VAL  56   7.532  -6.635   5.713
  515    H    GLN  57           H        GLN  57   3.977  -7.341   4.651
  516    HA   GLN  57           HA       GLN  57   2.345  -5.675   4.856
  517   1HB   GLN  57          2HB       GLN  57   2.748  -6.726   7.539
  518   2HB   GLN  57          1HB       GLN  57   2.302  -5.019   7.577
  519   1HG   GLN  57          2HG       GLN  57   0.624  -6.068   5.633
  520   2HG   GLN  57          1HG       GLN  57   0.680  -7.345   6.849
  521   1HE2  GLN  57          2HE2      GLN  57  -1.603  -5.595   8.867
  522   2HE2  GLN  57          1HE2      GLN  57  -1.055  -7.084   8.260
  523    QB   GLN  57           QB       GLN  57   2.525  -5.872   7.558
  524    QG   GLN  57           QG       GLN  57   0.652  -6.706   6.241
  525    QE2  GLN  57           QE2      GLN  57  -1.329  -6.340   8.564
  526    H    CYS  58           H        CYS  58   4.843  -4.781   4.115
  527    HA   CYS  58           HA       CYS  58   6.140  -2.827   5.635
  528   1HB   CYS  58          2HB       CYS  58   6.602  -1.684   3.437
  529   2HB   CYS  58          1HB       CYS  58   6.955  -3.412   3.428
  530    HG   CYS  58           HG       CYS  58   4.150  -3.110   2.495
  531    QB   CYS  58           QB       CYS  58   6.778  -2.548   3.433
  532    H    ILE  59           H        ILE  59   2.942  -2.757   4.274
  533    HA   ILE  59           HA       ILE  59   2.552   0.097   4.298
  534    HB   ILE  59           HB       ILE  59   1.098  -1.415   3.014
  535   1HG1  ILE  59          2HG1      ILE  59  -0.703  -0.303   5.138
  536   2HG1  ILE  59          1HG1      ILE  59   0.307   0.813   4.219
  537   1HG2  ILE  59          1HG2      ILE  59   1.236  -3.153   4.986
  538   2HG2  ILE  59          3HG2      ILE  59  -0.196  -2.307   5.573
  539   3HG2  ILE  59          2HG2      ILE  59  -0.216  -3.078   3.988
  540   1HD1  ILE  59          2HD1      ILE  59  -1.027  -1.183   2.534
  541   2HD1  ILE  59          1HD1      ILE  59  -2.156  -0.144   3.404
  542   3HD1  ILE  59          3HD1      ILE  59  -0.939   0.569   2.345
  543    QG1  ILE  59           QG1      ILE  59  -0.198   0.255   4.679
  544    QG2  ILE  59           QG2      ILE  59   0.275  -2.846   4.849
  545    QD1  ILE  59           QD1      ILE  59  -1.374  -0.253   2.761
  546    H    HIS  60           H        HIS  60   1.176   1.272   5.826
  547    HA   HIS  60           HA       HIS  60   0.801   0.063   8.493
  548   1HB   HIS  60          2HB       HIS  60   2.510   2.535   8.054
  549   2HB   HIS  60          1HB       HIS  60   2.034   1.885   9.624
  550    HD1  HIS  60          1HD       HIS  60   4.677   1.680   7.163
  551    HD2  HIS  60          2HD       HIS  60   3.015  -0.958   9.930
  552    HE1  HIS  60          1HE       HIS  60   6.360  -0.186   7.471
  553    QB   HIS  60           QB       HIS  60   2.272   2.210   8.839
  554    H    TRP  61           H        TRP  61   0.695   3.149   9.291
  555    HA   TRP  61           HA       TRP  61  -1.737   3.934   7.822
  556   1HB   TRP  61          2HB       TRP  61  -1.764   3.409  10.803
  557   2HB   TRP  61          1HB       TRP  61  -3.061   4.175   9.902
  558    HD1  TRP  61           HD       TRP  61  -1.203   0.800  10.135
  559    HE1  TRP  61          1HE       TRP  61  -2.794  -1.032   9.249
  560    HE3  TRP  61          3HE       TRP  61  -5.031   3.710   8.551
  561    HZ2  TRP  61          2HZ       TRP  61  -5.386  -1.216   8.020
  562    HZ3  TRP  61          3HZ       TRP  61  -7.065   2.709   7.524
  563    HH2  TRP  61           HH       TRP  61  -7.243   0.248   7.258
  564    QB   TRP  61           QB       TRP  61  -2.413   3.792  10.353
  565    H    GLU  62           H        GLU  62  -2.522   6.117   8.661
  566    HA   GLU  62           HA       GLU  62  -0.434   7.703  10.032
  567   1HB   GLU  62          2HB       GLU  62   0.289   7.987   7.774
  568   2HB   GLU  62          1HB       GLU  62  -1.367   8.163   7.189
  569   1HG   GLU  62          2HG       GLU  62  -1.442  10.368   7.724
  570   2HG   GLU  62          1HG       GLU  62  -0.637  10.109   9.272
  571    QB   GLU  62           QB       GLU  62  -0.539   8.075   7.482
  572    QG   GLU  62           QG       GLU  62  -1.039  10.239   8.498
  573    H    ASP  63           H        ASP  63  -1.608   8.705  11.604
  574    HA   ASP  63           HA       ASP  63  -4.150  10.034  10.801
  575   1HB   ASP  63          2HB       ASP  63  -3.780   7.901  12.826
  576   2HB   ASP  63          1HB       ASP  63  -4.751   9.279  13.343
  577    QB   ASP  63           QB       ASP  63  -4.265   8.590  13.084
  578    H    GLU  64           H        GLU  64  -2.253   9.594  13.808
  579    HA   GLU  64           HA       GLU  64  -2.156  12.578  14.012
  580   1HB   GLU  64          2HB       GLU  64  -3.426  11.143  15.786
  581   2HB   GLU  64          1HB       GLU  64  -1.811  10.722  16.359
  582   1HG   GLU  64          2HG       GLU  64  -2.303  12.624  17.633
  583   2HG   GLU  64          1HG       GLU  64  -1.393  13.305  16.284
  584    QB   GLU  64           QB       GLU  64  -2.619  10.932  16.072
  585    QG   GLU  64           QG       GLU  64  -1.848  12.964  16.958
   
  No H/Q in entry =         585
  Start of MODEL    7
    1    HA   ALA   1           HA       ALA   1 -10.849  10.986   8.667
    2   1HB   ALA   1          1HB       ALA   1  -8.086  11.327   9.871
    3   2HB   ALA   1          3HB       ALA   1  -8.452  11.474   8.152
    4   3HB   ALA   1          2HB       ALA   1  -9.147  12.617   9.302
    5    QB   ALA   1           QB       ALA   1  -8.562  11.806   9.108
    6    H    ARG   2           H        ARG   2  -8.461   9.121  10.587
    7    HA   ARG   2           HA       ARG   2  -7.687   6.924  10.297
    8   1HB   ARG   2          2HB       ARG   2 -10.204   6.461   8.687
    9   2HB   ARG   2          1HB       ARG   2  -9.301   5.293   9.652
   10   1HG   ARG   2          2HG       ARG   2 -10.776   7.705  10.753
   11   2HG   ARG   2          1HG       ARG   2 -11.352   6.038  10.825
   12   1HD   ARG   2          2HD       ARG   2  -8.645   6.778  11.924
   13   2HD   ARG   2          1HD       ARG   2 -10.102   6.988  12.897
   14    HE   ARG   2           HE       ARG   2  -8.798   4.505  12.486
   15   1HH1  ARG   2          1HH1      ARG   2 -11.175   5.264  14.332
   16   2HH1  ARG   2          2HH1      ARG   2 -12.352   4.108  13.804
   17   1HH2  ARG   2          1HH2      ARG   2 -10.636   3.291  10.903
   18   2HH2  ARG   2          2HH2      ARG   2 -12.046   2.990  11.863
   19    QB   ARG   2           QB       ARG   2  -9.753   5.877   9.169
   20    QG   ARG   2           QG       ARG   2 -11.064   6.871  10.789
   21    QD   ARG   2           QD       ARG   2  -9.374   6.883  12.411
   22    QH1  ARG   2           QH1      ARG   2 -11.763   4.686  14.068
   23    QH2  ARG   2           QH2      ARG   2 -11.341   3.140  11.383
   24    H    LYS   3           H        LYS   3  -5.937   7.502   8.908
   25    HA   LYS   3           HA       LYS   3  -6.501   7.230   5.987
   26   1HB   LYS   3          2HB       LYS   3  -5.330   9.333   7.132
   27   2HB   LYS   3          1HB       LYS   3  -3.903   8.309   6.995
   28   1HG   LYS   3          2HG       LYS   3  -3.734   8.888   4.829
   29   2HG   LYS   3          1HG       LYS   3  -5.282   8.096   4.530
   30   1HD   LYS   3          2HD       LYS   3  -5.845  10.226   3.860
   31   2HD   LYS   3          1HD       LYS   3  -6.212  10.377   5.579
   32   1HE   LYS   3          2HE       LYS   3  -3.390  10.877   4.959
   33   2HE   LYS   3          1HE       LYS   3  -4.484  12.011   4.168
   34   1HZ   LYS   3          3HZ       LYS   3  -5.580  12.055   6.517
   35   2HZ   LYS   3          2HZ       LYS   3  -4.044  11.538   7.028
   36   3HZ   LYS   3          1HZ       LYS   3  -4.214  13.006   6.189
   37    QB   LYS   3           QB       LYS   3  -4.617   8.821   7.063
   38    QG   LYS   3           QG       LYS   3  -4.508   8.492   4.680
   39    QD   LYS   3           QD       LYS   3  -6.029  10.301   4.720
   40    QE   LYS   3           QE       LYS   3  -3.937  11.444   4.563
   41    QZ   LYS   3           QZ       LYS   3  -4.613  12.200   6.578
   42    H    PHE   4           H        PHE   4  -3.748   6.751   5.283
   43    HA   PHE   4           HA       PHE   4  -2.546   4.599   6.676
   44   1HB   PHE   4          2HB       PHE   4  -3.257   2.722   5.141
   45   2HB   PHE   4          1HB       PHE   4  -4.534   3.302   6.205
   46    HD1  PHE   4          1HD       PHE   4  -6.501   4.344   5.349
   47    HD2  PHE   4          2HD       PHE   4  -3.205   3.463   2.739
   48    HE1  PHE   4          1HE       PHE   4  -7.925   4.842   3.383
   49    HE2  PHE   4          2HE       PHE   4  -4.631   3.963   0.772
   50    HZ   PHE   4           HZ       PHE   4  -6.991   4.651   1.094
   51    QB   PHE   4           QB       PHE   4  -3.895   3.012   5.673
   52    QD   PHE   4           QD       PHE   4  -4.853   3.904   4.044
   53    QE   PHE   4           QE       PHE   4  -6.278   4.402   2.077
   54    QR   PHE   4           QR       PHE   4  -5.851   4.252   2.667
   55    H    TYR   5           H        TYR   5  -1.040   3.345   5.039
   56    HA   TYR   5           HA       TYR   5  -0.486   4.373   2.463
   57   1HB   TYR   5          2HB       TYR   5   1.451   5.808   2.898
   58   2HB   TYR   5          1HB       TYR   5   0.042   6.474   3.717
   59    HD1  TYR   5          1HD       TYR   5  -0.337   5.552   6.194
   60    HD2  TYR   5          2HD       TYR   5   3.422   5.571   4.117
   61    HE1  TYR   5          1HE       TYR   5   0.861   5.429   8.362
   62    HE2  TYR   5          2HE       TYR   5   4.621   5.445   6.285
   63    HH   TYR   5           HH       TYR   5   3.958   4.530   8.704
   64    QB   TYR   5           QB       TYR   5   0.746   6.141   3.308
   65    QD   TYR   5           QD       TYR   5   1.543   5.561   5.155
   66    QE   TYR   5           QE       TYR   5   2.741   5.437   7.323
   67    QR   TYR   5           QR       TYR   5   2.142   5.499   6.239
   68    H    VAL   6           H        VAL   6   2.369   4.109   2.520
   69    HA   VAL   6           HA       VAL   6   2.674   1.481   3.877
   70    HB   VAL   6           HB       VAL   6   3.942   1.585   1.232
   71   1HG1  VAL   6          1HG1      VAL   6   3.219  -0.228   3.233
   72   2HG1  VAL   6          3HG1      VAL   6   2.155  -0.608   1.881
   73   3HG1  VAL   6          2HG1      VAL   6   3.903  -0.617   1.656
   74   1HG2  VAL   6          2HG2      VAL   6   1.306   2.510   1.257
   75   2HG2  VAL   6          1HG2      VAL   6   2.094   1.727  -0.101
   76   3HG2  VAL   6          3HG2      VAL   6   1.111   0.779   1.008
   77    QG1  VAL   6           QG1      VAL   6   3.092  -0.485   2.257
   78    QG2  VAL   6           QG2      VAL   6   1.504   1.672   0.721
   79    QQG  VAL   6           QQG      VAL   6   2.298   0.593   1.489
   80    H    ASP   7           H        ASP   7   4.984   0.652   3.275
   81    HA   ASP   7           HA       ASP   7   6.968   2.815   3.352
   82   1HB   ASP   7          2HB       ASP   7   6.286   1.025   5.586
   83   2HB   ASP   7          1HB       ASP   7   8.004   1.137   5.234
   84    QB   ASP   7           QB       ASP   7   7.145   1.081   5.410
   85    H    GLN   8           H        GLN   8   7.674   2.163   1.384
   86    HA   GLN   8           HA       GLN   8   8.155  -0.551   0.621
   87   1HB   GLN   8          2HB       GLN   8   9.389   2.016  -0.383
   88   2HB   GLN   8          1HB       GLN   8   9.593   0.440  -1.127
   89   1HG   GLN   8          2HG       GLN   8   7.150   2.164  -0.997
   90   2HG   GLN   8          1HG       GLN   8   7.803   1.267  -2.365
   91   1HE2  GLN   8          2HE2      GLN   8   4.962  -0.425  -0.093
   92   2HE2  GLN   8          1HE2      GLN   8   5.405   1.206   0.049
   93    QB   GLN   8           QB       GLN   8   9.491   1.228  -0.755
   94    QG   GLN   8           QG       GLN   8   7.476   1.715  -1.681
   95    QE2  GLN   8           QE2      GLN   8   5.183   0.391  -0.022
   96    H    ASP   9           H        ASP   9   9.267  -0.227   3.155
   97    HA   ASP   9           HA       ASP   9  12.202  -0.156   2.780
   98   1HB   ASP   9          2HB       ASP   9  10.493   0.504   4.922
   99   2HB   ASP   9          1HB       ASP   9  11.304  -0.990   5.407
  100    QB   ASP   9           QB       ASP   9  10.899  -0.243   5.165
  101    H    GLU  10           H        GLU  10   9.560  -2.338   2.916
  102    HA   GLU  10           HA       GLU  10  11.479  -4.606   3.171
  103   1HB   GLU  10          2HB       GLU  10   9.310  -3.973   4.867
  104   2HB   GLU  10          1HB       GLU  10   8.796  -5.360   3.908
  105   1HG   GLU  10          2HG       GLU  10   9.935  -6.164   5.904
  106   2HG   GLU  10          1HG       GLU  10  10.937  -6.509   4.493
  107    QB   GLU  10           QB       GLU  10   9.053  -4.667   4.387
  108    QG   GLU  10           QG       GLU  10  10.436  -6.336   5.198
  109    H    CYS  11           H        CYS  11   9.413  -3.032   1.066
  110    HA   CYS  11           HA       CYS  11   7.993  -5.218  -0.123
  111   1HB   CYS  11          1HB       CYS  11   7.413  -2.876  -0.620
  112   2HB   CYS  11          2HB       CYS  11   8.957  -2.658  -1.451
  113    QB   CYS  11           QB       CYS  11   8.185  -2.767  -1.036
  114    H    ILE  12           H        ILE  12   8.840  -6.950  -1.109
  115    HA   ILE  12           HA       ILE  12  11.639  -6.929  -1.989
  116    HB   ILE  12           HB       ILE  12  11.373  -9.289  -2.306
  117   1HG1  ILE  12          2HG1      ILE  12   8.390  -8.741  -2.167
  118   2HG1  ILE  12          1HG1      ILE  12   9.290  -9.248  -3.598
  119   1HG2  ILE  12          2HG2      ILE  12  10.909  -8.076   0.093
  120   2HG2  ILE  12          1HG2      ILE  12   9.446  -9.049  -0.071
  121   3HG2  ILE  12          3HG2      ILE  12  11.031  -9.824  -0.113
  122   1HD1  ILE  12          1HD1      ILE  12   9.981 -11.318  -2.311
  123   2HD1  ILE  12          3HD1      ILE  12   8.842 -10.833  -1.055
  124   3HD1  ILE  12          2HD1      ILE  12   8.258 -11.221  -2.674
  125    QG1  ILE  12           QG1      ILE  12   8.840  -8.995  -2.883
  126    QG2  ILE  12           QG2      ILE  12  10.462  -8.983  -0.030
  127    QD1  ILE  12           QD1      ILE  12   9.027 -11.124  -2.013
  128    H    ALA  13           H        ALA  13   8.426  -7.309  -3.519
  129    HA   ALA  13           HA       ALA  13   8.906  -5.856  -5.823
  130   1HB   ALA  13          1HB       ALA  13  10.131  -8.594  -5.951
  131   2HB   ALA  13          3HB       ALA  13   9.444  -7.885  -7.412
  132   3HB   ALA  13          2HB       ALA  13  10.756  -7.065  -6.568
  133    QB   ALA  13           QB       ALA  13  10.110  -7.848  -6.644
  134    H    CYS  14           H        CYS  14   7.501  -8.773  -4.459
  135    HA   CYS  14           HA       CYS  14   5.639  -9.503  -6.396
  136   1HB   CYS  14          1HB       CYS  14   4.831 -10.804  -4.752
  137   2HB   CYS  14          2HB       CYS  14   5.991 -10.036  -3.672
  138    QB   CYS  14           QB       CYS  14   5.411 -10.420  -4.212
  139    H    GLU  15           H        GLU  15   3.420  -8.898  -6.774
  140    HA   GLU  15           HA       GLU  15   2.876  -6.033  -6.112
  141   1HB   GLU  15          2HB       GLU  15   1.731  -7.605  -8.433
  142   2HB   GLU  15          1HB       GLU  15   1.682  -5.859  -8.190
  143   1HG   GLU  15          2HG       GLU  15   4.341  -6.201  -8.098
  144   2HG   GLU  15          1HG       GLU  15   3.930  -7.580  -9.119
  145    QB   GLU  15           QB       GLU  15   1.707  -6.732  -8.312
  146    QG   GLU  15           QG       GLU  15   4.135  -6.890  -8.608
  147    H    SER  16           H        SER  16   2.164  -8.730  -4.755
  148    HA   SER  16           HA       SER  16  -0.497  -9.436  -4.911
  149   1HB   SER  16          2HB       SER  16   1.409  -9.173  -2.631
  150   2HB   SER  16          1HB       SER  16  -0.292  -9.414  -2.240
  151    HG   SER  16           HG       SER  16   0.858 -11.390  -2.505
  152    QB   SER  16           QB       SER  16   0.559  -9.293  -2.435
  153    H    CYS  17           H        CYS  17   0.665  -6.815  -2.762
  154    HA   CYS  17           HA       CYS  17  -1.835  -5.785  -2.024
  155   1HB   CYS  17          1HB       CYS  17  -0.694  -3.752  -1.469
  156   2HB   CYS  17          2HB       CYS  17   0.459  -5.056  -1.197
  157    QB   CYS  17           QB       CYS  17  -0.118  -4.404  -1.333
  158    H    VAL  18           H        VAL  18   0.189  -4.707  -4.778
  159    HA   VAL  18           HA       VAL  18  -1.511  -2.819  -5.909
  160    HB   VAL  18           HB       VAL  18   0.179  -4.919  -7.299
  161   1HG1  VAL  18          3HG1      VAL  18  -1.348  -2.541  -8.368
  162   2HG1  VAL  18          2HG1      VAL  18   0.059  -3.194  -9.208
  163   3HG1  VAL  18          1HG1      VAL  18  -1.366  -4.203  -8.957
  164   1HG2  VAL  18          1HG2      VAL  18   1.053  -2.955  -5.712
  165   2HG2  VAL  18          3HG2      VAL  18   1.910  -3.388  -7.191
  166   3HG2  VAL  18          2HG2      VAL  18   0.820  -2.001  -7.175
  167    QG1  VAL  18           QG1      VAL  18  -0.885  -3.313  -8.845
  168    QG2  VAL  18           QG2      VAL  18   1.261  -2.781  -6.693
  169    QQG  VAL  18           QQG      VAL  18   0.188  -3.047  -7.769
  170    H    GLU  19           H        GLU  19  -1.765  -6.354  -6.095
  171    HA   GLU  19           HA       GLU  19  -4.011  -6.290  -7.927
  172   1HB   GLU  19          2HB       GLU  19  -2.312  -8.268  -6.964
  173   2HB   GLU  19          1HB       GLU  19  -3.860  -8.657  -6.213
  174   1HG   GLU  19          2HG       GLU  19  -4.171  -7.893  -9.011
  175   2HG   GLU  19          1HG       GLU  19  -3.105  -9.286  -8.823
  176    QB   GLU  19           QB       GLU  19  -3.086  -8.462  -6.588
  177    QG   GLU  19           QG       GLU  19  -3.638  -8.589  -8.917
  178    H    ILE  20           H        ILE  20  -3.632  -6.276  -4.434
  179    HA   ILE  20           HA       ILE  20  -6.540  -6.538  -4.035
  180    HB   ILE  20           HB       ILE  20  -4.280  -6.000  -2.113
  181   1HG1  ILE  20          2HG1      ILE  20  -5.628  -8.311  -1.497
  182   2HG1  ILE  20          1HG1      ILE  20  -5.428  -8.333  -3.236
  183   1HG2  ILE  20          2HG2      ILE  20  -7.201  -5.820  -1.820
  184   2HG2  ILE  20          1HG2      ILE  20  -6.392  -6.798  -0.596
  185   3HG2  ILE  20          3HG2      ILE  20  -5.932  -5.112  -0.825
  186   1HD1  ILE  20          3HD1      ILE  20  -3.028  -7.415  -1.877
  187   2HD1  ILE  20          2HD1      ILE  20  -3.489  -9.041  -1.374
  188   3HD1  ILE  20          1HD1      ILE  20  -3.206  -8.692  -3.079
  189    QG1  ILE  20           QG1      ILE  20  -5.528  -8.322  -2.367
  190    QG2  ILE  20           QG2      ILE  20  -6.508  -5.910  -1.080
  191    QD1  ILE  20           QD1      ILE  20  -3.241  -8.383  -2.110
  192    H    ALA  21           H        ALA  21  -4.859  -4.211  -5.402
  193    HA   ALA  21           HA       ALA  21  -6.714  -2.122  -4.873
  194   1HB   ALA  21          3HB       ALA  21  -4.476  -2.341  -2.978
  195   2HB   ALA  21          2HB       ALA  21  -4.610  -0.751  -3.729
  196   3HB   ALA  21          1HB       ALA  21  -5.977  -1.425  -2.843
  197    QB   ALA  21           QB       ALA  21  -5.021  -1.505  -3.184
  198    HA   PRO  22           HA       PRO  22  -3.608  -1.731  -8.332
  199   1HB   PRO  22          2HB       PRO  22  -5.346  -2.112 -10.386
  200   2HB   PRO  22          1HB       PRO  22  -4.474  -3.431  -9.607
  201   1HG   PRO  22          2HG       PRO  22  -7.307  -2.572  -9.232
  202   2HG   PRO  22          1HG       PRO  22  -6.620  -4.204  -9.226
  203   1HD   PRO  22          2HD       PRO  22  -7.309  -2.817  -6.957
  204   2HD   PRO  22          1HD       PRO  22  -6.090  -4.108  -7.005
  205    QB   PRO  22           QB       PRO  22  -4.910  -2.771  -9.997
  206    QG   PRO  22           QG       PRO  22  -6.963  -3.388  -9.229
  207    QD   PRO  22           QD       PRO  22  -6.699  -3.463  -6.981
  208    H    GLY  23           H        GLY  23  -4.538   0.381  -6.913
  209   1HA   GLY  23          2HA       GLY  23  -5.097   2.365  -8.977
  210   2HA   GLY  23          1HA       GLY  23  -6.428   2.152  -7.835
  211    QA   GLY  23           QA       GLY  23  -5.762   2.259  -8.406
  212    H    ALA  24           H        ALA  24  -4.904   1.603  -5.513
  213    HA   ALA  24           HA       ALA  24  -3.841   4.323  -4.975
  214   1HB   ALA  24          2HB       ALA  24  -4.655   2.039  -3.155
  215   2HB   ALA  24          1HB       ALA  24  -3.927   3.537  -2.570
  216   3HB   ALA  24          3HB       ALA  24  -5.494   3.573  -3.381
  217    QB   ALA  24           QB       ALA  24  -4.692   3.050  -3.035
  218    H    PHE  25           H        PHE  25  -2.910   0.907  -4.909
  219    HA   PHE  25           HA       PHE  25  -0.159   1.650  -4.067
  220   1HB   PHE  25          2HB       PHE  25  -1.788  -0.610  -3.645
  221   2HB   PHE  25          1HB       PHE  25  -0.537  -1.142  -4.765
  222    HD1  PHE  25          1HD       PHE  25   1.540   0.981  -3.712
  223    HD2  PHE  25          2HD       PHE  25  -0.935  -1.961  -1.800
  224    HE1  PHE  25          1HE       PHE  25   3.156   0.820  -1.838
  225    HE2  PHE  25          2HE       PHE  25   0.694  -2.119   0.065
  226    HZ   PHE  25           HZ       PHE  25   2.747  -0.729   0.028
  227    QB   PHE  25           QB       PHE  25  -1.162  -0.876  -4.205
  228    QD   PHE  25           QD       PHE  25   0.302  -0.490  -2.756
  229    QE   PHE  25           QE       PHE  25   1.925  -0.649  -0.886
  230    QR   PHE  25           QR       PHE  25   1.440  -0.601  -1.451
  231    H    ALA  26           H        ALA  26   1.564   1.581  -5.520
  232    HA   ALA  26           HA       ALA  26   1.342   0.208  -8.086
  233   1HB   ALA  26          1HB       ALA  26   0.265   2.761  -8.012
  234   2HB   ALA  26          3HB       ALA  26   1.895   3.031  -8.629
  235   3HB   ALA  26          2HB       ALA  26   0.810   1.919  -9.464
  236    QB   ALA  26           QB       ALA  26   0.990   2.571  -8.702
  237    H    MET  27           H        MET  27   3.376  -0.548  -8.437
  238    HA   MET  27           HA       MET  27   5.670   0.324  -6.981
  239   1HB   MET  27          2HB       MET  27   5.487  -1.916  -8.014
  240   2HB   MET  27          1HB       MET  27   5.559  -1.170  -9.610
  241   1HG   MET  27          2HG       MET  27   7.742  -0.273  -7.897
  242   2HG   MET  27          1HG       MET  27   7.742  -2.025  -8.100
  243   1HE   MET  27          2HE       MET  27   7.155  -3.104 -10.015
  244   2HE   MET  27          1HE       MET  27   7.042  -2.483 -11.660
  245   3HE   MET  27          3HE       MET  27   8.588  -3.077 -11.039
  246    QB   MET  27           QB       MET  27   5.523  -1.543  -8.812
  247    QG   MET  27           QG       MET  27   7.742  -1.149  -7.998
  248    QE   MET  27           QE       MET  27   7.595  -2.888 -10.905
  249    H    ASP  28           H        ASP  28   7.504   1.688  -7.634
  250    HA   ASP  28           HA       ASP  28   6.892   3.229 -10.136
  251   1HB   ASP  28          2HB       ASP  28   6.815   4.260  -7.566
  252   2HB   ASP  28          1HB       ASP  28   8.456   4.629  -8.088
  253    QB   ASP  28           QB       ASP  28   7.635   4.444  -7.827
  254    HA   PRO  29           HA       PRO  29  11.058   2.152 -11.032
  255   1HB   PRO  29          2HB       PRO  29  11.769   4.138 -12.741
  256   2HB   PRO  29          1HB       PRO  29  10.627   2.869 -13.182
  257   1HG   PRO  29          2HG       PRO  29  10.108   5.704 -12.546
  258   2HG   PRO  29          1HG       PRO  29   9.145   4.575 -13.509
  259   1HD   PRO  29          2HD       PRO  29   8.670   5.390 -10.832
  260   2HD   PRO  29          1HD       PRO  29   7.804   4.145 -11.740
  261    QB   PRO  29           QB       PRO  29  11.198   3.503 -12.962
  262    QG   PRO  29           QG       PRO  29   9.626   5.139 -13.028
  263    QD   PRO  29           QD       PRO  29   8.237   4.768 -11.286
  264    H    GLU  30           H        GLU  30  10.200   5.102  -9.570
  265    HA   GLU  30           HA       GLU  30  12.972   5.947  -8.984
  266   1HB   GLU  30          2HB       GLU  30  10.515   7.289  -9.156
  267   2HB   GLU  30          1HB       GLU  30  10.876   7.254  -7.429
  268   1HG   GLU  30          2HG       GLU  30  13.326   7.884  -8.502
  269   2HG   GLU  30          1HG       GLU  30  12.226   8.720  -9.598
  270    QB   GLU  30           QB       GLU  30  10.695   7.271  -8.292
  271    QG   GLU  30           QG       GLU  30  12.776   8.302  -9.050
  272    H    ILE  31           H        ILE  31  10.175   4.444  -7.493
  273    HA   ILE  31           HA       ILE  31  11.751   3.935  -5.045
  274    HB   ILE  31           HB       ILE  31   9.423   3.120  -4.204
  275   1HG1  ILE  31          2HG1      ILE  31   8.544   5.116  -6.293
  276   2HG1  ILE  31          1HG1      ILE  31   8.503   3.376  -6.585
  277   1HG2  ILE  31          2HG2      ILE  31  10.852   5.479  -3.965
  278   2HG2  ILE  31          1HG2      ILE  31   9.260   6.035  -4.479
  279   3HG2  ILE  31          3HG2      ILE  31   9.422   5.050  -3.025
  280   1HD1  ILE  31          2HD1      ILE  31   7.159   3.159  -4.441
  281   2HD1  ILE  31          1HD1      ILE  31   7.026   4.918  -4.441
  282   3HD1  ILE  31          3HD1      ILE  31   6.332   3.981  -5.763
  283    QG1  ILE  31           QG1      ILE  31   8.523   4.246  -6.439
  284    QG2  ILE  31           QG2      ILE  31   9.845   5.521  -3.823
  285    QD1  ILE  31           QD1      ILE  31   6.839   4.019  -4.882
  286    H    GLU  32           H        GLU  32  11.026   2.561  -7.924
  287    HA   GLU  32           HA       GLU  32  10.671   0.340  -8.649
  288   1HB   GLU  32          2HB       GLU  32  12.982   0.083  -6.689
  289   2HB   GLU  32          1HB       GLU  32  12.556  -1.129  -7.897
  290   1HG   GLU  32          2HG       GLU  32  13.552   0.036  -9.556
  291   2HG   GLU  32          1HG       GLU  32  12.791   1.545  -9.049
  292    QB   GLU  32           QB       GLU  32  12.769  -0.523  -7.293
  293    QG   GLU  32           QG       GLU  32  13.172   0.790  -9.302
  294    H    LYS  33           H        LYS  33   9.003   1.146  -6.519
  295    HA   LYS  33           HA       LYS  33   8.248  -1.502  -5.458
  296   1HB   LYS  33          2HB       LYS  33   9.145   0.700  -3.566
  297   2HB   LYS  33          1HB       LYS  33   8.327  -0.782  -3.073
  298   1HG   LYS  33          2HG       LYS  33  10.180  -2.119  -4.020
  299   2HG   LYS  33          1HG       LYS  33  11.005  -0.635  -4.491
  300   1HD   LYS  33          2HD       LYS  33  11.167   0.068  -2.165
  301   2HD   LYS  33          1HD       LYS  33  10.250  -1.345  -1.647
  302   1HE   LYS  33          2HE       LYS  33  12.319  -2.258  -1.351
  303   2HE   LYS  33          1HE       LYS  33  12.220  -2.543  -3.089
  304   1HZ   LYS  33          3HZ       LYS  33  13.109  -0.059  -3.089
  305   2HZ   LYS  33          2HZ       LYS  33  13.772  -0.570  -1.610
  306   3HZ   LYS  33          1HZ       LYS  33  14.149  -1.397  -3.046
  307    QB   LYS  33           QB       LYS  33   8.736  -0.041  -3.319
  308    QG   LYS  33           QG       LYS  33  10.593  -1.377  -4.255
  309    QD   LYS  33           QD       LYS  33  10.708  -0.638  -1.906
  310    QE   LYS  33           QE       LYS  33  12.269  -2.400  -2.220
  311    QZ   LYS  33           QZ       LYS  33  13.676  -0.676  -2.582
  312    H    ALA  34           H        ALA  34   6.096  -1.470  -4.600
  313    HA   ALA  34           HA       ALA  34   4.401   0.554  -5.749
  314   1HB   ALA  34          3HB       ALA  34   4.027  -2.015  -4.880
  315   2HB   ALA  34          2HB       ALA  34   3.231  -1.086  -3.611
  316   3HB   ALA  34          1HB       ALA  34   2.726  -0.898  -5.290
  317    QB   ALA  34           QB       ALA  34   3.328  -1.333  -4.594
  318    H    TYR  35           H        TYR  35   3.099   2.090  -4.686
  319    HA   TYR  35           HA       TYR  35   3.550   2.592  -1.807
  320   1HB   TYR  35          2HB       TYR  35   4.235   4.890  -2.115
  321   2HB   TYR  35          1HB       TYR  35   5.329   3.880  -3.057
  322    HD1  TYR  35          1HD       TYR  35   3.386   6.789  -3.170
  323    HD2  TYR  35          2HD       TYR  35   4.407   3.360  -5.535
  324    HE1  TYR  35          1HE       TYR  35   2.774   8.030  -5.228
  325    HE2  TYR  35          2HE       TYR  35   3.791   4.596  -7.599
  326    HH   TYR  35           HH       TYR  35   2.621   7.967  -7.434
  327    QB   TYR  35           QB       TYR  35   4.782   4.385  -2.586
  328    QD   TYR  35           QD       TYR  35   3.896   5.074  -4.353
  329    QE   TYR  35           QE       TYR  35   3.282   6.313  -6.413
  330    QR   TYR  35           QR       TYR  35   3.589   5.694  -5.383
  331    H    VAL  36           H        VAL  36   1.793   3.869  -0.923
  332    HA   VAL  36           HA       VAL  36  -0.665   3.580  -2.411
  333    HB   VAL  36           HB       VAL  36  -0.526   3.539   0.102
  334   1HG1  VAL  36          1HG1      VAL  36   0.661   6.117  -0.366
  335   2HG1  VAL  36          3HG1      VAL  36  -0.779   6.302   0.635
  336   3HG1  VAL  36          2HG1      VAL  36   0.518   5.222   1.148
  337   1HG2  VAL  36          3HG2      VAL  36  -2.364   5.555  -1.220
  338   2HG2  VAL  36          2HG2      VAL  36  -2.687   3.843  -0.946
  339   3HG2  VAL  36          1HG2      VAL  36  -2.590   4.952   0.421
  340    QG1  VAL  36           QG1      VAL  36   0.133   5.880   0.472
  341    QG2  VAL  36           QG2      VAL  36  -2.547   4.783  -0.582
  342    QQG  VAL  36           QQG      VAL  36  -1.207   5.332  -0.055
  343    H    LYS  37           H        LYS  37   0.545   4.779  -4.240
  344    HA   LYS  37           HA       LYS  37   1.075   7.495  -4.361
  345   1HB   LYS  37          2HB       LYS  37   0.942   7.277  -6.681
  346   2HB   LYS  37          1HB       LYS  37   1.130   5.595  -6.186
  347   1HG   LYS  37          2HG       LYS  37  -1.327   5.300  -6.267
  348   2HG   LYS  37          1HG       LYS  37  -1.500   6.969  -6.808
  349   1HD   LYS  37          2HD       LYS  37   0.086   6.344  -8.728
  350   2HD   LYS  37          1HD       LYS  37  -0.198   4.665  -8.265
  351   1HE   LYS  37          2HE       LYS  37  -1.780   5.257 -10.011
  352   2HE   LYS  37          1HE       LYS  37  -2.662   5.078  -8.495
  353   1HZ   LYS  37          3HZ       LYS  37  -1.619   7.723  -9.202
  354   2HZ   LYS  37          2HZ       LYS  37  -3.003   7.162 -10.011
  355   3HZ   LYS  37          1HZ       LYS  37  -3.006   7.310  -8.319
  356    QB   LYS  37           QB       LYS  37   1.036   6.436  -6.434
  357    QG   LYS  37           QG       LYS  37  -1.414   6.134  -6.538
  358    QD   LYS  37           QD       LYS  37  -0.056   5.504  -8.496
  359    QE   LYS  37           QE       LYS  37  -2.221   5.167  -9.253
  360    QZ   LYS  37           QZ       LYS  37  -2.543   7.398  -9.177
  361    H    ASP  38           H        ASP  38  -2.042   5.948  -4.144
  362    HA   ASP  38           HA       ASP  38  -3.280   8.577  -3.726
  363   1HB   ASP  38          2HB       ASP  38  -3.307   8.409  -6.148
  364   2HB   ASP  38          1HB       ASP  38  -3.983   6.784  -6.062
  365    QB   ASP  38           QB       ASP  38  -3.645   7.596  -6.105
  366    H    VAL  39           H        VAL  39  -3.834   7.755  -1.672
  367    HA   VAL  39           HA       VAL  39  -4.921   5.274  -1.009
  368    HB   VAL  39           HB       VAL  39  -6.042   6.458   0.876
  369   1HG1  VAL  39          2HG1      VAL  39  -3.212   6.782   0.100
  370   2HG1  VAL  39          1HG1      VAL  39  -3.765   7.880   1.365
  371   3HG1  VAL  39          3HG1      VAL  39  -3.904   6.137   1.588
  372   1HG2  VAL  39          1HG2      VAL  39  -5.273   8.858  -0.790
  373   2HG2  VAL  39          3HG2      VAL  39  -6.856   8.454  -0.123
  374   3HG2  VAL  39          2HG2      VAL  39  -5.557   8.985   0.946
  375    QG1  VAL  39           QG1      VAL  39  -3.627   6.933   1.018
  376    QG2  VAL  39           QG2      VAL  39  -5.895   8.766   0.011
  377    QQG  VAL  39           QQG      VAL  39  -4.761   7.849   0.514
  378    H    GLU  40           H        GLU  40  -6.390   7.828  -2.847
  379    HA   GLU  40           HA       GLU  40  -9.131   6.908  -2.452
  380   1HB   GLU  40          2HB       GLU  40  -7.918   9.200  -3.509
  381   2HB   GLU  40          1HB       GLU  40  -8.694   8.426  -4.891
  382   1HG   GLU  40          2HG       GLU  40 -10.490   8.253  -2.683
  383   2HG   GLU  40          1HG       GLU  40  -9.922   9.920  -2.784
  384    QB   GLU  40           QB       GLU  40  -8.306   8.813  -4.200
  385    QG   GLU  40           QG       GLU  40 -10.206   9.087  -2.734
  386    H    GLY  41           H        GLY  41  -6.474   5.949  -4.401
  387   1HA   GLY  41          2HA       GLY  41  -8.045   4.833  -6.587
  388   2HA   GLY  41          1HA       GLY  41  -6.331   4.546  -6.295
  389    QA   GLY  41           QA       GLY  41  -7.188   4.690  -6.441
  390    H    ALA  42           H        ALA  42  -7.870   3.949  -3.420
  391    HA   ALA  42           HA       ALA  42  -8.806   1.237  -4.035
  392   1HB   ALA  42          1HB       ALA  42  -6.350   0.938  -3.947
  393   2HB   ALA  42          3HB       ALA  42  -6.329   1.649  -2.333
  394   3HB   ALA  42          2HB       ALA  42  -7.148   0.112  -2.608
  395    QB   ALA  42           QB       ALA  42  -6.609   0.900  -2.962
  396    H    SER  43           H        SER  43 -10.492   0.894  -2.690
  397    HA   SER  43           HA       SER  43 -11.300   2.636  -0.631
  398   1HB   SER  43          2HB       SER  43 -12.091  -0.124  -0.114
  399   2HB   SER  43          1HB       SER  43 -13.090   1.263  -0.535
  400    HG   SER  43           HG       SER  43 -13.262   0.144  -2.335
  401    QB   SER  43           QB       SER  43 -12.590   0.570  -0.324
  402    H    GLN  44           H        GLN  44 -11.411   2.146   1.730
  403    HA   GLN  44           HA       GLN  44  -8.794   1.598   2.790
  404   1HB   GLN  44          2HB       GLN  44  -9.760   2.008   4.937
  405   2HB   GLN  44          1HB       GLN  44 -10.600   3.082   3.819
  406   1HG   GLN  44          2HG       GLN  44 -12.360   1.246   3.587
  407   2HG   GLN  44          1HG       GLN  44 -11.590   0.466   4.968
  408   1HE2  GLN  44          2HE2      GLN  44 -13.988   2.441   6.772
  409   2HE2  GLN  44          1HE2      GLN  44 -13.728   0.904   6.099
  410    QB   GLN  44           QB       GLN  44 -10.180   2.545   4.378
  411    QG   GLN  44           QG       GLN  44 -11.975   0.856   4.278
  412    QE2  GLN  44           QE2      GLN  44 -13.858   1.672   6.435
  413    H    GLU  45           H        GLU  45 -11.799  -0.320   2.643
  414    HA   GLU  45           HA       GLU  45 -10.682  -2.509   4.178
  415   1HB   GLU  45          2HB       GLU  45 -12.974  -2.681   2.202
  416   2HB   GLU  45          1HB       GLU  45 -12.670  -3.721   3.594
  417   1HG   GLU  45          2HG       GLU  45 -12.752  -0.994   4.485
  418   2HG   GLU  45          1HG       GLU  45 -14.193  -1.321   3.519
  419    QB   GLU  45           QB       GLU  45 -12.822  -3.201   2.898
  420    QG   GLU  45           QG       GLU  45 -13.473  -1.157   4.002
  421    H    GLU  46           H        GLU  46 -10.595  -1.581   0.813
  422    HA   GLU  46           HA       GLU  46  -9.572  -4.227  -0.010
  423   1HB   GLU  46          2HB       GLU  46  -9.673  -3.420  -2.214
  424   2HB   GLU  46          1HB       GLU  46 -10.985  -2.533  -1.445
  425   1HG   GLU  46          2HG       GLU  46  -9.694  -0.554  -1.267
  426   2HG   GLU  46          1HG       GLU  46  -8.197  -1.405  -1.624
  427    QB   GLU  46           QB       GLU  46 -10.329  -2.976  -1.830
  428    QG   GLU  46           QG       GLU  46  -8.945  -0.980  -1.446
  429    H    VAL  47           H        VAL  47  -8.593  -1.044   0.885
  430    HA   VAL  47           HA       VAL  47  -5.818  -1.213   0.163
  431    HB   VAL  47           HB       VAL  47  -7.474   0.472   2.021
  432   1HG1  VAL  47          1HG1      VAL  47  -4.468   0.215   2.055
  433   2HG1  VAL  47          3HG1      VAL  47  -5.280   1.702   2.546
  434   3HG1  VAL  47          2HG1      VAL  47  -5.584   0.201   3.420
  435   1HG2  VAL  47          3HG2      VAL  47  -7.228   0.966  -0.423
  436   2HG2  VAL  47          2HG2      VAL  47  -6.626   2.264   0.607
  437   3HG2  VAL  47          1HG2      VAL  47  -5.493   1.159  -0.170
  438    QG1  VAL  47           QG1      VAL  47  -5.111   0.706   2.674
  439    QG2  VAL  47           QG2      VAL  47  -6.449   1.463   0.005
  440    QQG  VAL  47           QQG      VAL  47  -5.780   1.085   1.339
  441    H    GLU  48           H        GLU  48  -7.711  -2.247   2.979
  442    HA   GLU  48           HA       GLU  48  -5.363  -2.965   4.536
  443   1HB   GLU  48          2HB       GLU  48  -7.011  -4.255   5.942
  444   2HB   GLU  48          1HB       GLU  48  -7.357  -2.541   5.798
  445   1HG   GLU  48          2HG       GLU  48  -8.963  -3.138   3.953
  446   2HG   GLU  48          1HG       GLU  48  -8.733  -4.820   4.412
  447    QB   GLU  48           QB       GLU  48  -7.184  -3.398   5.870
  448    QG   GLU  48           QG       GLU  48  -8.848  -3.979   4.182
  449    H    GLU  49           H        GLU  49  -7.849  -4.932   2.912
  450    HA   GLU  49           HA       GLU  49  -6.818  -7.469   3.200
  451   1HB   GLU  49          2HB       GLU  49  -8.846  -6.987   1.875
  452   2HB   GLU  49          1HB       GLU  49  -7.849  -6.285   0.601
  453   1HG   GLU  49          2HG       GLU  49  -6.626  -8.545   0.542
  454   2HG   GLU  49          1HG       GLU  49  -7.971  -9.167   1.499
  455    QB   GLU  49           QB       GLU  49  -8.347  -6.636   1.238
  456    QG   GLU  49           QG       GLU  49  -7.298  -8.856   1.020
  457    H    ALA  50           H        ALA  50  -5.612  -4.939   1.033
  458    HA   ALA  50           HA       ALA  50  -3.602  -6.569  -0.247
  459   1HB   ALA  50          2HB       ALA  50  -4.536  -3.940  -0.511
  460   2HB   ALA  50          1HB       ALA  50  -2.874  -3.754   0.044
  461   3HB   ALA  50          3HB       ALA  50  -3.213  -4.668  -1.425
  462    QB   ALA  50           QB       ALA  50  -3.541  -4.121  -0.631
  463    H    MET  51           H        MET  51  -3.633  -4.429   2.581
  464    HA   MET  51           HA       MET  51  -0.854  -4.613   3.219
  465   1HB   MET  51          2HB       MET  51  -2.242  -2.908   4.247
  466   2HB   MET  51          1HB       MET  51  -3.287  -4.132   4.965
  467   1HG   MET  51          2HG       MET  51  -0.868  -4.920   5.933
  468   2HG   MET  51          1HG       MET  51  -0.624  -3.178   5.834
  469   1HE   MET  51          2HE       MET  51  -1.286  -1.591   7.323
  470   2HE   MET  51          1HE       MET  51  -2.900  -1.532   6.618
  471   3HE   MET  51          3HE       MET  51  -2.698  -1.576   8.375
  472    QB   MET  51           QB       MET  51  -2.765  -3.520   4.606
  473    QG   MET  51           QG       MET  51  -0.746  -4.049   5.883
  474    QE   MET  51           QE       MET  51  -2.295  -1.566   7.439
  475    H    ASP  52           H        ASP  52  -3.662  -6.502   4.384
  476    HA   ASP  52           HA       ASP  52  -2.182  -8.228   6.105
  477   1HB   ASP  52          2HB       ASP  52  -4.865  -7.992   5.210
  478   2HB   ASP  52          1HB       ASP  52  -4.362  -9.649   4.873
  479    QB   ASP  52           QB       ASP  52  -4.613  -8.820   5.041
  480    H    THR  53           H        THR  53  -2.727  -8.274   2.627
  481    HA   THR  53           HA       THR  53  -1.316 -10.885   2.420
  482    HB   THR  53           HB       THR  53  -2.729  -9.204   0.325
  483    HG1  THR  53          1HG       THR  53  -3.431 -11.309   1.995
  484   1HG2  THR  53          3HG2      THR  53  -0.725 -10.730  -0.352
  485   2HG2  THR  53          2HG2      THR  53  -1.838 -12.056  -0.015
  486   3HG2  THR  53          1HG2      THR  53  -2.236 -10.865  -1.253
  487    QG2  THR  53           QG2      THR  53  -1.600 -11.217  -0.540
  488    H    CYS  54           H        CYS  54   0.809 -10.105   2.954
  489    HA   CYS  54           HA       CYS  54   2.246  -8.969   0.671
  490   1HB   CYS  54          1HB       CYS  54   1.474  -6.894   1.665
  491   2HB   CYS  54          2HB       CYS  54   1.951  -7.436   3.264
  492    QB   CYS  54           QB       CYS  54   1.712  -7.165   2.465
  493    HA   PRO  55           HA       PRO  55   5.311 -11.510   2.556
  494   1HB   PRO  55          2HB       PRO  55   7.533 -10.547   1.313
  495   2HB   PRO  55          1HB       PRO  55   6.361 -11.592   0.510
  496   1HG   PRO  55          2HG       PRO  55   6.659  -8.621   0.342
  497   2HG   PRO  55          1HG       PRO  55   6.254  -9.779  -0.937
  498   1HD   PRO  55          2HD       PRO  55   4.397  -8.211   0.300
  499   2HD   PRO  55          1HD       PRO  55   4.023  -9.803  -0.392
  500    QB   PRO  55           QB       PRO  55   6.947 -11.069   0.912
  501    QG   PRO  55           QG       PRO  55   6.457  -9.200  -0.298
  502    QD   PRO  55           QD       PRO  55   4.210  -9.007  -0.046
  503    H    VAL  56           H        VAL  56   5.401 -10.840   4.719
  504    HA   VAL  56           HA       VAL  56   6.546  -9.927   6.572
  505    HB   VAL  56           HB       VAL  56   8.372  -9.476   4.575
  506   1HG1  VAL  56          2HG1      VAL  56   7.122  -7.132   4.424
  507   2HG1  VAL  56          1HG1      VAL  56   8.149  -6.759   5.809
  508   3HG1  VAL  56          3HG1      VAL  56   8.876  -7.237   4.275
  509   1HG2  VAL  56          3HG2      VAL  56   8.537  -9.926   7.154
  510   2HG2  VAL  56          2HG2      VAL  56   9.889  -9.155   6.324
  511   3HG2  VAL  56          1HG2      VAL  56   8.756  -8.179   7.260
  512    QG1  VAL  56           QG1      VAL  56   8.049  -7.043   4.836
  513    QG2  VAL  56           QG2      VAL  56   9.061  -9.087   6.913
  514    QQG  VAL  56           QQG      VAL  56   8.555  -8.065   5.874
  515    H    GLN  57           H        GLN  57   4.595  -8.402   4.300
  516    HA   GLN  57           HA       GLN  57   3.044  -6.675   4.472
  517   1HB   GLN  57          2HB       GLN  57   3.114  -7.853   6.944
  518   2HB   GLN  57          1HB       GLN  57   3.472  -6.169   7.335
  519   1HG   GLN  57          2HG       GLN  57   1.481  -5.675   5.675
  520   2HG   GLN  57          1HG       GLN  57   1.020  -7.335   6.056
  521   1HE2  GLN  57          2HE2      GLN  57   0.467  -4.411   8.815
  522   2HE2  GLN  57          1HE2      GLN  57   1.138  -4.071   7.294
  523    QB   GLN  57           QB       GLN  57   3.293  -7.011   7.140
  524    QG   GLN  57           QG       GLN  57   1.251  -6.505   5.865
  525    QE2  GLN  57           QE2      GLN  57   0.802  -4.241   8.055
  526    H    CYS  58           H        CYS  58   2.978  -4.422   4.462
  527    HA   CYS  58           HA       CYS  58   5.284  -2.906   5.520
  528   1HB   CYS  58          2HB       CYS  58   5.468  -1.763   3.212
  529   2HB   CYS  58          1HB       CYS  58   6.180  -3.368   3.379
  530    HG   CYS  58           HG       CYS  58   3.485  -2.776   1.918
  531    QB   CYS  58           QB       CYS  58   5.824  -2.566   3.295
  532    H    ILE  59           H        ILE  59   2.119  -2.930   3.911
  533    HA   ILE  59           HA       ILE  59   1.551  -0.153   4.030
  534    HB   ILE  59           HB       ILE  59  -0.191  -2.619   4.118
  535   1HG1  ILE  59          2HG1      ILE  59   0.137  -0.355   2.125
  536   2HG1  ILE  59          1HG1      ILE  59   0.866  -1.955   1.982
  537   1HG2  ILE  59          1HG2      ILE  59  -1.022   0.281   4.384
  538   2HG2  ILE  59          3HG2      ILE  59  -2.119  -0.966   3.789
  539   3HG2  ILE  59          2HG2      ILE  59  -1.467  -1.072   5.423
  540   1HD1  ILE  59          3HD1      ILE  59  -1.557  -2.849   2.206
  541   2HD1  ILE  59          2HD1      ILE  59  -2.046  -1.198   1.824
  542   3HD1  ILE  59          1HD1      ILE  59  -1.085  -2.122   0.669
  543    QG1  ILE  59           QG1      ILE  59   0.502  -1.155   2.053
  544    QG2  ILE  59           QG2      ILE  59  -1.536  -0.586   4.532
  545    QD1  ILE  59           QD1      ILE  59  -1.563  -2.057   1.566
  546    H    HIS  60           H        HIS  60   0.350   1.052   5.605
  547    HA   HIS  60           HA       HIS  60  -0.175  -0.097   8.241
  548   1HB   HIS  60          2HB       HIS  60   1.980   2.015   7.902
  549   2HB   HIS  60          1HB       HIS  60   1.322   1.471   9.444
  550    HD1  HIS  60          1HD       HIS  60   4.026   0.808   7.171
  551    HD2  HIS  60          2HD       HIS  60   1.703  -1.538   9.716
  552    HE1  HIS  60          1HE       HIS  60   5.312  -1.343   7.526
  553    QB   HIS  60           QB       HIS  60   1.651   1.743   8.673
  554    H    TRP  61           H        TRP  61  -2.008   0.926   8.921
  555    HA   TRP  61           HA       TRP  61  -3.219   3.058   7.511
  556   1HB   TRP  61          2HB       TRP  61  -3.578   2.283  10.415
  557   2HB   TRP  61          1HB       TRP  61  -4.638   3.361   9.532
  558    HD1  TRP  61           HD       TRP  61  -3.595  -0.330   9.716
  559    HE1  TRP  61          1HE       TRP  61  -5.408  -1.724   8.511
  560    HE3  TRP  61          3HE       TRP  61  -6.375   3.416   7.778
  561    HZ2  TRP  61          2HZ       TRP  61  -7.767  -1.272   6.916
  562    HZ3  TRP  61          3HZ       TRP  61  -8.408   2.949   6.416
  563    HH2  TRP  61           HH       TRP  61  -9.100   0.604   5.983
  564    QB   TRP  61           QB       TRP  61  -4.108   2.822   9.973
  565    H    GLU  62           H        GLU  62  -3.712   5.262   8.588
  566    HA   GLU  62           HA       GLU  62  -1.309   6.292  10.017
  567   1HB   GLU  62          2HB       GLU  62  -0.789   6.966   7.828
  568   2HB   GLU  62          1HB       GLU  62  -2.477   7.248   7.407
  569   1HG   GLU  62          2HG       GLU  62  -2.424   9.377   8.187
  570   2HG   GLU  62          1HG       GLU  62  -1.546   8.910   9.644
  571    QB   GLU  62           QB       GLU  62  -1.633   7.107   7.618
  572    QG   GLU  62           QG       GLU  62  -1.985   9.144   8.916
  573    H    ASP  63           H        ASP  63  -2.514   6.513  11.943
  574    HA   ASP  63           HA       ASP  63  -5.036   8.053  11.870
  575   1HB   ASP  63          2HB       ASP  63  -3.696   7.219  14.419
  576   2HB   ASP  63          1HB       ASP  63  -5.415   7.283  14.030
  577    QB   ASP  63           QB       ASP  63  -4.555   7.251  14.225
  578    H    GLU  64           H        GLU  64  -5.183  10.187  12.481
  579    HA   GLU  64           HA       GLU  64  -3.214  11.487  14.159
  580   1HB   GLU  64          2HB       GLU  64  -2.207  12.955  12.514
  581   2HB   GLU  64          1HB       GLU  64  -1.964  11.291  11.982
  582   1HG   GLU  64          2HG       GLU  64  -2.847  12.009  10.014
  583   2HG   GLU  64          1HG       GLU  64  -4.394  11.882  10.852
  584    QB   GLU  64           QB       GLU  64  -2.086  12.123  12.248
  585    QG   GLU  64           QG       GLU  64  -3.621  11.946  10.433
   
  No H/Q in entry =         585
  Start of MODEL    8
    1    HA   ALA   1           HA       ALA   1 -11.770   9.880   9.793
    2   1HB   ALA   1          2HB       ALA   1 -11.633   9.196   6.863
    3   2HB   ALA   1          1HB       ALA   1 -11.559   7.923   8.081
    4   3HB   ALA   1          3HB       ALA   1 -12.973   8.973   7.988
    5    QB   ALA   1           QB       ALA   1 -12.055   8.697   7.644
    6    H    ARG   2           H        ARG   2 -10.310   7.650   9.628
    7    HA   ARG   2           HA       ARG   2  -7.683   8.452  10.431
    8   1HB   ARG   2          2HB       ARG   2  -9.086   5.873   9.943
    9   2HB   ARG   2          1HB       ARG   2  -7.323   5.831   9.895
   10   1HG   ARG   2          2HG       ARG   2  -7.562   7.260  12.119
   11   2HG   ARG   2          1HG       ARG   2  -9.142   6.478  12.183
   12   1HD   ARG   2          2HD       ARG   2  -8.147   4.286  12.142
   13   2HD   ARG   2          1HD       ARG   2  -6.554   4.955  11.794
   14    HE   ARG   2           HE       ARG   2  -7.275   6.127  14.209
   15   1HH1  ARG   2          1HH1      ARG   2  -5.302   5.029  15.319
   16   2HH1  ARG   2          2HH1      ARG   2  -5.633   3.397  15.796
   17   1HH2  ARG   2          1HH2      ARG   2  -8.454   3.108  13.800
   18   2HH2  ARG   2          2HH2      ARG   2  -7.418   2.309  14.934
   19    QB   ARG   2           QB       ARG   2  -8.205   5.852   9.919
   20    QG   ARG   2           QG       ARG   2  -8.352   6.869  12.151
   21    QD   ARG   2           QD       ARG   2  -7.350   4.620  11.968
   22    QH1  ARG   2           QH1      ARG   2  -5.467   4.213  15.557
   23    QH2  ARG   2           QH2      ARG   2  -7.936   2.709  14.367
   24    H    LYS   3           H        LYS   3  -5.667   7.430   9.305
   25    HA   LYS   3           HA       LYS   3  -5.962   7.621   6.340
   26   1HB   LYS   3          2HB       LYS   3  -4.890   9.648   7.784
   27   2HB   LYS   3          1HB       LYS   3  -3.449   8.665   7.521
   28   1HG   LYS   3          2HG       LYS   3  -3.393   9.892   5.572
   29   2HG   LYS   3          1HG       LYS   3  -4.443   8.579   5.035
   30   1HD   LYS   3          2HD       LYS   3  -6.188   9.982   4.775
   31   2HD   LYS   3          1HD       LYS   3  -5.971  10.640   6.398
   32   1HE   LYS   3          2HE       LYS   3  -4.888  12.468   5.622
   33   2HE   LYS   3          1HE       LYS   3  -3.884  11.507   4.535
   34   1HZ   LYS   3          3HZ       LYS   3  -6.422  11.386   3.489
   35   2HZ   LYS   3          2HZ       LYS   3  -6.228  13.007   3.960
   36   3HZ   LYS   3          1HZ       LYS   3  -5.120  12.291   2.889
   37    QB   LYS   3           QB       LYS   3  -4.170   9.157   7.653
   38    QG   LYS   3           QG       LYS   3  -3.918   9.236   5.303
   39    QD   LYS   3           QD       LYS   3  -6.080  10.311   5.586
   40    QE   LYS   3           QE       LYS   3  -4.386  11.987   5.079
   41    QZ   LYS   3           QZ       LYS   3  -5.923  12.228   3.446
   42    H    PHE   4           H        PHE   4  -3.274   7.174   5.710
   43    HA   PHE   4           HA       PHE   4  -1.973   5.102   7.109
   44   1HB   PHE   4          2HB       PHE   4  -2.671   3.110   5.897
   45   2HB   PHE   4          1HB       PHE   4  -4.104   3.868   6.582
   46    HD1  PHE   4          1HD       PHE   4  -5.210   5.733   5.016
   47    HD2  PHE   4          2HD       PHE   4  -2.739   2.498   3.648
   48    HE1  PHE   4          1HE       PHE   4  -6.194   5.941   2.749
   49    HE2  PHE   4          2HE       PHE   4  -3.724   2.704   1.382
   50    HZ   PHE   4           HZ       PHE   4  -5.451   4.426   0.932
   51    QB   PHE   4           QB       PHE   4  -3.387   3.489   6.240
   52    QD   PHE   4           QD       PHE   4  -3.975   4.116   4.332
   53    QE   PHE   4           QE       PHE   4  -4.959   4.323   2.066
   54    QR   PHE   4           QR       PHE   4  -4.664   4.260   2.745
   55    H    TYR   5           H        TYR   5  -0.760   3.625   5.161
   56    HA   TYR   5           HA       TYR   5  -0.179   4.739   2.684
   57   1HB   TYR   5          2HB       TYR   5   1.926   5.971   3.119
   58   2HB   TYR   5          1HB       TYR   5   0.558   6.786   3.854
   59    HD1  TYR   5          1HD       TYR   5   3.624   4.898   4.449
   60    HD2  TYR   5          2HD       TYR   5   0.177   6.660   6.310
   61    HE1  TYR   5          1HE       TYR   5   4.715   4.687   6.665
   62    HE2  TYR   5          2HE       TYR   5   1.270   6.449   8.527
   63    HH   TYR   5           HH       TYR   5   3.027   5.068   9.584
   64    QB   TYR   5           QB       TYR   5   1.242   6.379   3.486
   65    QD   TYR   5           QD       TYR   5   1.900   5.779   5.379
   66    QE   TYR   5           QE       TYR   5   2.993   5.568   7.596
   67    QR   TYR   5           QR       TYR   5   2.446   5.673   6.488
   68    H    VAL   6           H        VAL   6   2.363   4.107   2.246
   69    HA   VAL   6           HA       VAL   6   2.875   1.740   3.958
   70    HB   VAL   6           HB       VAL   6   3.106   1.484   0.976
   71   1HG1  VAL   6          1HG1      VAL   6   3.444  -0.089   3.425
   72   2HG1  VAL   6          3HG1      VAL   6   2.555  -0.921   2.153
   73   3HG1  VAL   6          2HG1      VAL   6   4.178  -0.305   1.836
   74   1HG2  VAL   6          2HG2      VAL   6   0.657   1.582   2.567
   75   2HG2  VAL   6          1HG2      VAL   6   0.845   1.422   0.825
   76   3HG2  VAL   6          3HG2      VAL   6   0.889  -0.006   1.850
   77    QG1  VAL   6           QG1      VAL   6   3.392  -0.438   2.471
   78    QG2  VAL   6           QG2      VAL   6   0.797   0.999   1.747
   79    QQG  VAL   6           QQG      VAL   6   2.095   0.281   2.109
   80    H    ASP   7           H        ASP   7   5.008   0.854   3.732
   81    HA   ASP   7           HA       ASP   7   6.954   2.938   2.907
   82   1HB   ASP   7          2HB       ASP   7   6.800   1.035   5.145
   83   2HB   ASP   7          1HB       ASP   7   8.384   1.104   4.375
   84    QB   ASP   7           QB       ASP   7   7.592   1.069   4.760
   85    H    GLN   8           H        GLN   8   6.482   2.049   0.715
   86    HA   GLN   8           HA       GLN   8   6.940  -0.478  -0.284
   87   1HB   GLN   8          2HB       GLN   8   7.653   0.552  -2.351
   88   2HB   GLN   8          1HB       GLN   8   6.449   1.612  -1.621
   89   1HG   GLN   8          2HG       GLN   8   9.425   1.973  -1.216
   90   2HG   GLN   8          1HG       GLN   8   8.513   2.801  -2.478
   91   1HE2  GLN   8          2HE2      GLN   8   6.559   4.681  -0.001
   92   2HE2  GLN   8          1HE2      GLN   8   6.291   3.779  -1.413
   93    QB   GLN   8           QB       GLN   8   7.051   1.082  -1.986
   94    QG   GLN   8           QG       GLN   8   8.969   2.387  -1.847
   95    QE2  GLN   8           QE2      GLN   8   6.425   4.230  -0.707
   96    H    ASP   9           H        ASP   9   9.238   1.630   1.227
   97    HA   ASP   9           HA       ASP   9  11.696   0.667   0.271
   98   1HB   ASP   9          2HB       ASP   9  11.112   2.440   2.148
   99   2HB   ASP   9          1HB       ASP   9  11.330   1.060   3.226
  100    QB   ASP   9           QB       ASP   9  11.221   1.750   2.687
  101    H    GLU  10           H        GLU  10   9.481  -0.774   2.634
  102    HA   GLU  10           HA       GLU  10  11.259  -3.059   3.118
  103   1HB   GLU  10          2HB       GLU  10   9.691  -2.189   4.871
  104   2HB   GLU  10          1HB       GLU  10   8.341  -2.687   3.857
  105   1HG   GLU  10          2HG       GLU  10   8.745  -4.951   4.181
  106   2HG   GLU  10          1HG       GLU  10  10.457  -4.700   4.522
  107    QB   GLU  10           QB       GLU  10   9.016  -2.438   4.364
  108    QG   GLU  10           QG       GLU  10   9.601  -4.825   4.352
  109    H    CYS  11           H        CYS  11   8.797  -2.162   0.877
  110    HA   CYS  11           HA       CYS  11   7.636  -4.602   0.147
  111   1HB   CYS  11          1HB       CYS  11   6.926  -2.502  -0.868
  112   2HB   CYS  11          2HB       CYS  11   8.499  -2.310  -1.640
  113    QB   CYS  11           QB       CYS  11   7.713  -2.406  -1.254
  114    H    ILE  12           H        ILE  12   8.498  -6.474  -0.565
  115    HA   ILE  12           HA       ILE  12  11.326  -6.656  -1.211
  116    HB   ILE  12           HB       ILE  12  10.861  -9.048  -1.562
  117   1HG1  ILE  12          2HG1      ILE  12   7.978  -8.135  -1.330
  118   2HG1  ILE  12          1HG1      ILE  12   8.732  -8.947  -2.702
  119   1HG2  ILE  12          2HG2      ILE  12  11.083  -8.114   0.751
  120   2HG2  ILE  12          1HG2      ILE  12   9.328  -7.960   0.818
  121   3HG2  ILE  12          3HG2      ILE  12  10.069  -9.555   0.685
  122   1HD1  ILE  12          1HD1      ILE  12   8.449 -10.163   0.060
  123   2HD1  ILE  12          3HD1      ILE  12   7.366 -10.494  -1.292
  124   3HD1  ILE  12          2HD1      ILE  12   9.062 -10.968  -1.385
  125    QG1  ILE  12           QG1      ILE  12   8.355  -8.541  -2.016
  126    QG2  ILE  12           QG2      ILE  12  10.160  -8.543   0.751
  127    QD1  ILE  12           QD1      ILE  12   8.292 -10.542  -0.872
  128    H    ALA  13           H        ALA  13   8.312  -7.102  -3.101
  129    HA   ALA  13           HA       ALA  13   9.131  -5.816  -5.422
  130   1HB   ALA  13          1HB       ALA  13  10.211  -8.617  -5.223
  131   2HB   ALA  13          3HB       ALA  13   9.805  -7.931  -6.796
  132   3HB   ALA  13          2HB       ALA  13  11.022  -7.155  -5.784
  133    QB   ALA  13           QB       ALA  13  10.346  -7.901  -5.934
  134    H    CYS  14           H        CYS  14   7.521  -8.697  -4.143
  135    HA   CYS  14           HA       CYS  14   5.827  -9.317  -6.295
  136   1HB   CYS  14          1HB       CYS  14   4.946 -10.746  -4.799
  137   2HB   CYS  14          2HB       CYS  14   5.982 -10.018  -3.575
  138    QB   CYS  14           QB       CYS  14   5.464 -10.382  -4.187
  139    H    GLU  15           H        GLU  15   3.541  -8.709  -6.643
  140    HA   GLU  15           HA       GLU  15   2.990  -5.900  -5.775
  141   1HB   GLU  15          2HB       GLU  15   1.974  -5.489  -7.961
  142   2HB   GLU  15          1HB       GLU  15   3.633  -6.046  -8.178
  143   1HG   GLU  15          2HG       GLU  15   2.930  -8.233  -8.800
  144   2HG   GLU  15          1HG       GLU  15   1.288  -7.952  -8.219
  145    QB   GLU  15           QB       GLU  15   2.804  -5.768  -8.069
  146    QG   GLU  15           QG       GLU  15   2.109  -8.093  -8.510
  147    H    SER  16           H        SER  16   2.089  -8.671  -4.810
  148    HA   SER  16           HA       SER  16  -0.531  -9.317  -5.445
  149   1HB   SER  16          2HB       SER  16   1.155  -9.554  -3.071
  150   2HB   SER  16          1HB       SER  16  -0.547  -9.376  -2.655
  151    HG   SER  16           HG       SER  16   0.411 -11.574  -3.202
  152    QB   SER  16           QB       SER  16   0.304  -9.465  -2.863
  153    H    CYS  17           H        CYS  17   0.375  -6.949  -2.917
  154    HA   CYS  17           HA       CYS  17  -2.167  -5.919  -2.365
  155   1HB   CYS  17          1HB       CYS  17  -1.055  -3.960  -1.535
  156   2HB   CYS  17          2HB       CYS  17   0.042  -5.310  -1.252
  157    QB   CYS  17           QB       CYS  17  -0.506  -4.635  -1.393
  158    H    VAL  18           H        VAL  18   0.159  -4.518  -4.714
  159    HA   VAL  18           HA       VAL  18  -1.466  -2.587  -5.873
  160    HB   VAL  18           HB       VAL  18   0.381  -4.476  -7.372
  161   1HG1  VAL  18          3HG1      VAL  18  -1.302  -2.918  -8.622
  162   2HG1  VAL  18          2HG1      VAL  18  -0.236  -1.618  -8.091
  163   3HG1  VAL  18          1HG1      VAL  18   0.390  -2.908  -9.118
  164   1HG2  VAL  18          3HG2      VAL  18   1.183  -3.045  -5.290
  165   2HG2  VAL  18          2HG2      VAL  18   2.163  -3.111  -6.756
  166   3HG2  VAL  18          1HG2      VAL  18   1.125  -1.717  -6.451
  167    QG1  VAL  18           QG1      VAL  18  -0.383  -2.481  -8.610
  168    QG2  VAL  18           QG2      VAL  18   1.491  -2.624  -6.166
  169    QQG  VAL  18           QQG      VAL  18   0.554  -2.553  -7.388
  170    H    GLU  19           H        GLU  19  -1.587  -6.092  -6.351
  171    HA   GLU  19           HA       GLU  19  -3.503  -5.965  -8.515
  172   1HB   GLU  19          2HB       GLU  19  -2.075  -8.015  -7.103
  173   2HB   GLU  19          1HB       GLU  19  -3.790  -8.423  -7.098
  174   1HG   GLU  19          2HG       GLU  19  -2.896  -7.408  -9.689
  175   2HG   GLU  19          1HG       GLU  19  -2.027  -8.862  -9.199
  176    QB   GLU  19           QB       GLU  19  -2.932  -8.219  -7.100
  177    QG   GLU  19           QG       GLU  19  -2.461  -8.135  -9.444
  178    H    ILE  20           H        ILE  20  -3.733  -6.296  -5.007
  179    HA   ILE  20           HA       ILE  20  -6.680  -6.343  -5.176
  180    HB   ILE  20           HB       ILE  20  -5.002  -6.089  -2.689
  181   1HG1  ILE  20          2HG1      ILE  20  -5.929  -8.696  -3.116
  182   2HG1  ILE  20          1HG1      ILE  20  -4.977  -8.197  -4.495
  183   1HG2  ILE  20          1HG2      ILE  20  -7.746  -6.025  -3.123
  184   2HG2  ILE  20          3HG2      ILE  20  -7.420  -7.668  -2.574
  185   3HG2  ILE  20          2HG2      ILE  20  -6.944  -6.295  -1.576
  186   1HD1  ILE  20          3HD1      ILE  20  -3.263  -7.355  -2.779
  187   2HD1  ILE  20          2HD1      ILE  20  -4.151  -8.327  -1.605
  188   3HD1  ILE  20          1HD1      ILE  20  -3.388  -9.101  -2.993
  189    QG1  ILE  20           QG1      ILE  20  -5.453  -8.446  -3.805
  190    QG2  ILE  20           QG2      ILE  20  -7.370  -6.663  -2.424
  191    QD1  ILE  20           QD1      ILE  20  -3.601  -8.261  -2.459
  192    H    ALA  21           H        ALA  21  -4.734  -4.056  -5.984
  193    HA   ALA  21           HA       ALA  21  -6.400  -1.856  -5.446
  194   1HB   ALA  21          2HB       ALA  21  -4.313  -2.380  -3.338
  195   2HB   ALA  21          1HB       ALA  21  -4.798  -0.726  -3.714
  196   3HB   ALA  21          3HB       ALA  21  -5.993  -1.885  -3.130
  197    QB   ALA  21           QB       ALA  21  -5.035  -1.663  -3.394
  198    HA   PRO  22           HA       PRO  22  -2.656  -1.441  -8.192
  199   1HB   PRO  22          2HB       PRO  22  -4.013  -1.189 -10.535
  200   2HB   PRO  22          1HB       PRO  22  -3.504  -2.745  -9.876
  201   1HG   PRO  22          2HG       PRO  22  -6.199  -1.458  -9.791
  202   2HG   PRO  22          1HG       PRO  22  -5.781  -3.165 -10.004
  203   1HD   PRO  22          2HD       PRO  22  -6.662  -2.106  -7.641
  204   2HD   PRO  22          1HD       PRO  22  -5.619  -3.540  -7.750
  205    QB   PRO  22           QB       PRO  22  -3.758  -1.967 -10.206
  206    QG   PRO  22           QG       PRO  22  -5.990  -2.312  -9.898
  207    QD   PRO  22           QD       PRO  22  -6.141  -2.823  -7.695
  208    H    GLY  23           H        GLY  23  -5.295   0.347  -7.170
  209   1HA   GLY  23          2HA       GLY  23  -4.679   2.731  -8.812
  210   2HA   GLY  23          1HA       GLY  23  -5.995   2.595  -7.645
  211    QA   GLY  23           QA       GLY  23  -5.337   2.663  -8.229
  212    H    ALA  24           H        ALA  24  -5.245   2.380  -5.301
  213    HA   ALA  24           HA       ALA  24  -3.532   4.595  -4.632
  214   1HB   ALA  24          1HB       ALA  24  -5.370   2.954  -3.276
  215   2HB   ALA  24          3HB       ALA  24  -3.824   2.659  -2.481
  216   3HB   ALA  24          2HB       ALA  24  -4.459   4.299  -2.590
  217    QB   ALA  24           QB       ALA  24  -4.551   3.304  -2.782
  218    H    PHE  25           H        PHE  25  -2.991   1.136  -5.003
  219    HA   PHE  25           HA       PHE  25  -0.220   1.588  -4.056
  220   1HB   PHE  25          2HB       PHE  25  -2.042  -0.551  -3.653
  221   2HB   PHE  25          1HB       PHE  25  -0.722  -1.171  -4.647
  222    HD1  PHE  25          1HD       PHE  25   1.619   0.251  -3.809
  223    HD2  PHE  25          2HD       PHE  25  -1.666  -1.144  -1.419
  224    HE1  PHE  25          1HE       PHE  25   3.095   0.178  -1.816
  225    HE2  PHE  25          2HE       PHE  25  -0.186  -1.216   0.571
  226    HZ   PHE  25           HZ       PHE  25   2.196  -0.557   0.364
  227    QB   PHE  25           QB       PHE  25  -1.382  -0.861  -4.150
  228    QD   PHE  25           QD       PHE  25  -0.023  -0.447  -2.614
  229    QE   PHE  25           QE       PHE  25   1.455  -0.519  -0.622
  230    QR   PHE  25           QR       PHE  25   1.012  -0.498  -1.222
  231    H    ALA  26           H        ALA  26   1.462   1.464  -5.465
  232    HA   ALA  26           HA       ALA  26   1.314   0.005  -7.969
  233   1HB   ALA  26          1HB       ALA  26   0.470   2.786  -7.913
  234   2HB   ALA  26          3HB       ALA  26   1.881   2.575  -8.951
  235   3HB   ALA  26          2HB       ALA  26   0.417   1.635  -9.248
  236    QB   ALA  26           QB       ALA  26   0.923   2.332  -8.704
  237    H    MET  27           H        MET  27   3.382  -0.673  -8.277
  238    HA   MET  27           HA       MET  27   5.563   0.311  -6.728
  239   1HB   MET  27          2HB       MET  27   6.988  -1.061  -8.202
  240   2HB   MET  27          1HB       MET  27   5.545  -1.953  -7.718
  241   1HG   MET  27          2HG       MET  27   5.009  -0.414 -10.107
  242   2HG   MET  27          1HG       MET  27   6.417  -1.448 -10.349
  243   1HE   MET  27          3HE       MET  27   6.629  -3.681 -10.166
  244   2HE   MET  27          2HE       MET  27   5.370  -4.884 -10.439
  245   3HE   MET  27          1HE       MET  27   5.736  -3.701 -11.693
  246    QB   MET  27           QB       MET  27   6.266  -1.507  -7.960
  247    QG   MET  27           QG       MET  27   5.713  -0.931 -10.228
  248    QE   MET  27           QE       MET  27   5.912  -4.089 -10.766
  249    H    ASP  28           H        ASP  28   7.493   1.547  -7.484
  250    HA   ASP  28           HA       ASP  28   6.825   3.205  -9.886
  251   1HB   ASP  28          2HB       ASP  28   6.695   4.146  -7.335
  252   2HB   ASP  28          1HB       ASP  28   8.399   4.436  -7.690
  253    QB   ASP  28           QB       ASP  28   7.547   4.291  -7.513
  254    HA   PRO  29           HA       PRO  29  10.945   2.102 -10.928
  255   1HB   PRO  29          2HB       PRO  29  11.639   4.115 -12.615
  256   2HB   PRO  29          1HB       PRO  29  10.466   2.870 -13.040
  257   1HG   PRO  29          2HG       PRO  29  10.007   5.702 -12.372
  258   2HG   PRO  29          1HG       PRO  29   8.979   4.581 -13.275
  259   1HD   PRO  29          2HD       PRO  29   8.697   5.405 -10.559
  260   2HD   PRO  29          1HD       PRO  29   7.711   4.228 -11.437
  261    QB   PRO  29           QB       PRO  29  11.052   3.492 -12.828
  262    QG   PRO  29           QG       PRO  29   9.493   5.141 -12.824
  263    QD   PRO  29           QD       PRO  29   8.204   4.817 -10.998
  264    H    GLU  30           H        GLU  30  10.246   5.087  -9.410
  265    HA   GLU  30           HA       GLU  30  13.085   5.732  -8.847
  266   1HB   GLU  30          2HB       GLU  30  10.929   7.364  -9.166
  267   2HB   GLU  30          1HB       GLU  30  10.897   7.153  -7.415
  268   1HG   GLU  30          2HG       GLU  30  13.483   7.633  -7.607
  269   2HG   GLU  30          1HG       GLU  30  13.023   8.394  -9.130
  270    QB   GLU  30           QB       GLU  30  10.913   7.259  -8.291
  271    QG   GLU  30           QG       GLU  30  13.253   8.014  -8.369
  272    H    ILE  31           H        ILE  31  10.200   4.403  -7.432
  273    HA   ILE  31           HA       ILE  31  11.647   3.847  -4.911
  274    HB   ILE  31           HB       ILE  31   9.629   3.796  -3.776
  275   1HG1  ILE  31          2HG1      ILE  31   8.434   3.048  -6.451
  276   2HG1  ILE  31          1HG1      ILE  31   8.453   2.108  -4.962
  277   1HG2  ILE  31          2HG2      ILE  31  10.058   6.044  -4.814
  278   2HG2  ILE  31          1HG2      ILE  31   8.960   5.598  -6.120
  279   3HG2  ILE  31          3HG2      ILE  31   8.357   5.735  -4.468
  280   1HD1  ILE  31          1HD1      ILE  31   7.054   3.960  -3.916
  281   2HD1  ILE  31          3HD1      ILE  31   6.849   4.606  -5.543
  282   3HD1  ILE  31          2HD1      ILE  31   6.237   2.998  -5.151
  283    QG1  ILE  31           QG1      ILE  31   8.444   2.578  -5.707
  284    QG2  ILE  31           QG2      ILE  31   9.125   5.792  -5.134
  285    QD1  ILE  31           QD1      ILE  31   6.713   3.854  -4.870
  286    H    GLU  32           H        GLU  32  11.165   2.519  -7.806
  287    HA   GLU  32           HA       GLU  32  10.702   0.319  -8.580
  288   1HB   GLU  32          2HB       GLU  32  13.122   0.251  -6.771
  289   2HB   GLU  32          1HB       GLU  32  12.649  -1.140  -7.749
  290   1HG   GLU  32          2HG       GLU  32  13.246  -0.133  -9.716
  291   2HG   GLU  32          1HG       GLU  32  12.757   1.469  -9.164
  292    QB   GLU  32           QB       GLU  32  12.886  -0.445  -7.260
  293    QG   GLU  32           QG       GLU  32  13.001   0.668  -9.440
  294    H    LYS  33           H        LYS  33   8.869   0.790  -6.568
  295    HA   LYS  33           HA       LYS  33   8.321  -1.919  -5.705
  296   1HB   LYS  33          2HB       LYS  33   9.782  -0.145  -3.847
  297   2HB   LYS  33          1HB       LYS  33   8.379  -0.961  -3.158
  298   1HG   LYS  33          2HG       LYS  33   9.465  -2.929  -3.109
  299   2HG   LYS  33          1HG       LYS  33   9.894  -2.788  -4.813
  300   1HD   LYS  33          2HD       LYS  33  11.716  -1.146  -4.057
  301   2HD   LYS  33          1HD       LYS  33  11.405  -1.729  -2.422
  302   1HE   LYS  33          2HE       LYS  33  11.912  -4.020  -3.097
  303   2HE   LYS  33          1HE       LYS  33  12.124  -3.505  -4.771
  304   1HZ   LYS  33          2HZ       LYS  33  13.702  -2.220  -2.651
  305   2HZ   LYS  33          1HZ       LYS  33  14.171  -3.749  -3.224
  306   3HZ   LYS  33          3HZ       LYS  33  14.079  -2.437  -4.294
  307    QB   LYS  33           QB       LYS  33   9.081  -0.553  -3.502
  308    QG   LYS  33           QG       LYS  33   9.680  -2.858  -3.961
  309    QD   LYS  33           QD       LYS  33  11.561  -1.438  -3.239
  310    QE   LYS  33           QE       LYS  33  12.018  -3.762  -3.934
  311    QZ   LYS  33           QZ       LYS  33  13.984  -2.802  -3.390
  312    H    ALA  34           H        ALA  34   6.240  -2.140  -4.845
  313    HA   ALA  34           HA       ALA  34   4.272  -0.288  -5.626
  314   1HB   ALA  34          1HB       ALA  34   4.374  -2.691  -3.910
  315   2HB   ALA  34          3HB       ALA  34   3.028  -1.598  -3.589
  316   3HB   ALA  34          2HB       ALA  34   3.248  -2.274  -5.203
  317    QB   ALA  34           QB       ALA  34   3.550  -2.187  -4.234
  318    H    TYR  35           H        TYR  35   3.198   1.365  -4.599
  319    HA   TYR  35           HA       TYR  35   3.838   1.993  -1.770
  320   1HB   TYR  35          2HB       TYR  35   4.590   4.208  -2.185
  321   2HB   TYR  35          1HB       TYR  35   5.494   3.182  -3.287
  322    HD1  TYR  35          1HD       TYR  35   5.250   6.102  -3.691
  323    HD2  TYR  35          2HD       TYR  35   2.713   2.917  -5.039
  324    HE1  TYR  35          1HE       TYR  35   4.481   7.501  -5.585
  325    HE2  TYR  35          2HE       TYR  35   1.927   4.316  -6.910
  326    HH   TYR  35           HH       TYR  35   2.803   6.266  -8.227
  327    QB   TYR  35           QB       TYR  35   5.042   3.695  -2.736
  328    QD   TYR  35           QD       TYR  35   3.981   4.509  -4.365
  329    QE   TYR  35           QE       TYR  35   3.204   5.909  -6.247
  330    QR   TYR  35           QR       TYR  35   3.593   5.209  -5.306
  331    H    VAL  36           H        VAL  36   2.249   3.340  -0.756
  332    HA   VAL  36           HA       VAL  36  -0.360   3.186  -2.134
  333    HB   VAL  36           HB       VAL  36   0.580   3.227   0.643
  334   1HG1  VAL  36          1HG1      VAL  36  -1.726   4.984  -0.178
  335   2HG1  VAL  36          3HG1      VAL  36  -1.662   4.232   1.417
  336   3HG1  VAL  36          2HG1      VAL  36  -0.396   5.356   0.921
  337   1HG2  VAL  36          1HG2      VAL  36  -0.712   1.436  -0.684
  338   2HG2  VAL  36          3HG2      VAL  36  -1.272   1.778   0.953
  339   3HG2  VAL  36          2HG2      VAL  36  -2.133   2.450  -0.430
  340    QG1  VAL  36           QG1      VAL  36  -1.261   4.857   0.720
  341    QG2  VAL  36           QG2      VAL  36  -1.372   1.888  -0.054
  342    QQG  VAL  36           QQG      VAL  36  -1.317   3.373   0.333
  343    H    LYS  37           H        LYS  37  -0.800   4.881  -3.458
  344    HA   LYS  37           HA       LYS  37  -0.230   7.633  -2.419
  345   1HB   LYS  37          2HB       LYS  37  -0.107   6.613  -5.261
  346   2HB   LYS  37          1HB       LYS  37  -0.007   8.313  -4.812
  347   1HG   LYS  37          2HG       LYS  37   1.938   6.095  -4.229
  348   2HG   LYS  37          1HG       LYS  37   2.216   7.648  -5.017
  349   1HD   LYS  37          2HD       LYS  37   1.414   8.607  -2.677
  350   2HD   LYS  37          1HD       LYS  37   1.972   7.036  -2.106
  351   1HE   LYS  37          2HE       LYS  37   4.181   7.425  -2.771
  352   2HE   LYS  37          1HE       LYS  37   3.713   8.670  -3.930
  353   1HZ   LYS  37          1HZ       LYS  37   3.439   8.945  -0.987
  354   2HZ   LYS  37          3HZ       LYS  37   4.750   9.545  -1.880
  355   3HZ   LYS  37          2HZ       LYS  37   3.188  10.152  -2.156
  356    QB   LYS  37           QB       LYS  37  -0.057   7.463  -5.037
  357    QG   LYS  37           QG       LYS  37   2.077   6.871  -4.623
  358    QD   LYS  37           QD       LYS  37   1.693   7.821  -2.392
  359    QE   LYS  37           QE       LYS  37   3.947   8.048  -3.351
  360    QZ   LYS  37           QZ       LYS  37   3.792   9.547  -1.674
  361    H    ASP  38           H        ASP  38  -2.163   5.864  -4.833
  362    HA   ASP  38           HA       ASP  38  -4.226   7.955  -4.757
  363   1HB   ASP  38          2HB       ASP  38  -3.605   6.920  -6.887
  364   2HB   ASP  38          1HB       ASP  38  -4.057   5.336  -6.263
  365    QB   ASP  38           QB       ASP  38  -3.831   6.128  -6.575
  366    H    VAL  39           H        VAL  39  -4.601   7.443  -2.358
  367    HA   VAL  39           HA       VAL  39  -5.670   5.090  -1.326
  368    HB   VAL  39           HB       VAL  39  -6.915   6.487   0.264
  369   1HG1  VAL  39          1HG1      VAL  39  -4.121   7.043  -0.518
  370   2HG1  VAL  39          3HG1      VAL  39  -4.863   8.285   0.491
  371   3HG1  VAL  39          2HG1      VAL  39  -4.783   6.617   1.060
  372   1HG2  VAL  39          3HG2      VAL  39  -6.323   8.670  -1.755
  373   2HG2  VAL  39          2HG2      VAL  39  -7.909   8.096  -1.243
  374   3HG2  VAL  39          1HG2      VAL  39  -6.889   8.989  -0.115
  375    QG1  VAL  39           QG1      VAL  39  -4.589   7.315   0.344
  376    QG2  VAL  39           QG2      VAL  39  -7.040   8.585  -1.038
  377    QQG  VAL  39           QQG      VAL  39  -5.815   7.950  -0.347
  378    H    GLU  40           H        GLU  40  -7.334   7.560  -3.264
  379    HA   GLU  40           HA       GLU  40  -9.941   6.362  -3.102
  380   1HB   GLU  40          2HB       GLU  40  -8.615   8.358  -4.905
  381   2HB   GLU  40          1HB       GLU  40 -10.163   7.668  -5.393
  382   1HG   GLU  40          2HG       GLU  40  -9.845   8.708  -2.597
  383   2HG   GLU  40          1HG       GLU  40 -10.109   9.850  -3.915
  384    QB   GLU  40           QB       GLU  40  -9.389   8.013  -5.149
  385    QG   GLU  40           QG       GLU  40  -9.977   9.279  -3.256
  386    H    GLY  41           H        GLY  41  -7.089   5.499  -4.818
  387   1HA   GLY  41          2HA       GLY  41  -8.367   4.124  -7.025
  388   2HA   GLY  41          1HA       GLY  41  -6.690   3.917  -6.513
  389    QA   GLY  41           QA       GLY  41  -7.529   4.020  -6.769
  390    H    ALA  42           H        ALA  42  -7.788   3.372  -3.697
  391    HA   ALA  42           HA       ALA  42  -8.836   0.619  -4.194
  392   1HB   ALA  42          3HB       ALA  42  -6.443   1.476  -2.593
  393   2HB   ALA  42          2HB       ALA  42  -7.367   0.066  -2.075
  394   3HB   ALA  42          1HB       ALA  42  -6.622   0.094  -3.674
  395    QB   ALA  42           QB       ALA  42  -6.811   0.545  -2.781
  396    H    SER  43           H        SER  43 -10.527   0.080  -2.845
  397    HA   SER  43           HA       SER  43 -11.572   2.148  -1.075
  398   1HB   SER  43          2HB       SER  43 -12.502  -0.420  -2.194
  399   2HB   SER  43          1HB       SER  43 -13.115  -0.048  -0.593
  400    HG   SER  43           HG       SER  43 -14.233   1.560  -1.394
  401    QB   SER  43           QB       SER  43 -12.808  -0.234  -1.394
  402    H    GLN  44           H        GLN  44 -12.635   0.734   1.024
  403    HA   GLN  44           HA       GLN  44 -10.357   0.479   2.785
  404   1HB   GLN  44          2HB       GLN  44 -13.269   0.510   3.020
  405   2HB   GLN  44          1HB       GLN  44 -12.523  -0.660   4.111
  406   1HG   GLN  44          2HG       GLN  44 -11.206   0.994   5.171
  407   2HG   GLN  44          1HG       GLN  44 -11.454   2.151   3.863
  408   1HE2  GLN  44          2HE2      GLN  44 -14.972   1.537   5.815
  409   2HE2  GLN  44          1HE2      GLN  44 -14.189   0.263   5.012
  410    QB   GLN  44           QB       GLN  44 -12.896  -0.075   3.566
  411    QG   GLN  44           QG       GLN  44 -11.330   1.572   4.517
  412    QE2  GLN  44           QE2      GLN  44 -14.581   0.900   5.414
  413    H    GLU  45           H        GLU  45 -12.733  -1.890   1.529
  414    HA   GLU  45           HA       GLU  45 -11.313  -4.140   2.698
  415   1HB   GLU  45          2HB       GLU  45 -12.744  -5.410   0.894
  416   2HB   GLU  45          1HB       GLU  45 -13.518  -4.678   2.290
  417   1HG   GLU  45          2HG       GLU  45 -13.177  -2.893  -0.044
  418   2HG   GLU  45          1HG       GLU  45 -14.318  -4.220  -0.265
  419    QB   GLU  45           QB       GLU  45 -13.131  -5.044   1.592
  420    QG   GLU  45           QG       GLU  45 -13.748  -3.556  -0.154
  421    H    GLU  46           H        GLU  46 -10.769  -2.173   0.013
  422    HA   GLU  46           HA       GLU  46  -9.284  -4.249  -1.502
  423   1HB   GLU  46          2HB       GLU  46  -9.522  -1.264  -2.021
  424   2HB   GLU  46          1HB       GLU  46  -8.920  -2.481  -3.142
  425   1HG   GLU  46          2HG       GLU  46 -11.208  -3.606  -2.922
  426   2HG   GLU  46          1HG       GLU  46 -11.737  -2.121  -2.128
  427    QB   GLU  46           QB       GLU  46  -9.221  -1.873  -2.581
  428    QG   GLU  46           QG       GLU  46 -11.473  -2.863  -2.525
  429    H    VAL  47           H        VAL  47  -8.890  -1.304   0.306
  430    HA   VAL  47           HA       VAL  47  -6.033  -1.127   0.197
  431    HB   VAL  47           HB       VAL  47  -8.133  -0.100   2.117
  432   1HG1  VAL  47          3HG1      VAL  47  -5.148   0.390   2.189
  433   2HG1  VAL  47          2HG1      VAL  47  -6.348   1.214   3.185
  434   3HG1  VAL  47          1HG1      VAL  47  -6.072  -0.517   3.385
  435   1HG2  VAL  47          2HG2      VAL  47  -7.609   0.783  -0.322
  436   2HG2  VAL  47          1HG2      VAL  47  -7.893   1.922   0.994
  437   3HG2  VAL  47          3HG2      VAL  47  -6.244   1.560   0.481
  438    QG1  VAL  47           QG1      VAL  47  -5.856   0.362   2.920
  439    QG2  VAL  47           QG2      VAL  47  -7.248   1.422   0.385
  440    QQG  VAL  47           QQG      VAL  47  -6.552   0.892   1.652
  441    H    GLU  48           H        GLU  48  -8.284  -2.542   2.593
  442    HA   GLU  48           HA       GLU  48  -6.277  -3.580   4.318
  443   1HB   GLU  48          2HB       GLU  48  -9.118  -3.432   4.099
  444   2HB   GLU  48          1HB       GLU  48  -8.674  -5.098   4.401
  445   1HG   GLU  48          2HG       GLU  48  -7.007  -3.751   6.109
  446   2HG   GLU  48          1HG       GLU  48  -8.456  -2.750   6.139
  447    QB   GLU  48           QB       GLU  48  -8.896  -4.265   4.250
  448    QG   GLU  48           QG       GLU  48  -7.732  -3.251   6.124
  449    H    GLU  49           H        GLU  49  -8.503  -5.339   2.087
  450    HA   GLU  49           HA       GLU  49  -7.326  -7.850   2.170
  451   1HB   GLU  49          2HB       GLU  49  -8.527  -6.305  -0.121
  452   2HB   GLU  49          1HB       GLU  49  -7.865  -7.918  -0.386
  453   1HG   GLU  49          2HG       GLU  49  -9.317  -8.741   1.503
  454   2HG   GLU  49          1HG       GLU  49 -10.076  -7.148   1.538
  455    QB   GLU  49           QB       GLU  49  -8.196  -7.111  -0.253
  456    QG   GLU  49           QG       GLU  49  -9.697  -7.945   1.520
  457    H    ALA  50           H        ALA  50  -6.310  -5.188   0.005
  458    HA   ALA  50           HA       ALA  50  -3.993  -6.551  -1.020
  459   1HB   ALA  50          2HB       ALA  50  -5.186  -4.376  -1.863
  460   2HB   ALA  50          1HB       ALA  50  -4.140  -3.552  -0.705
  461   3HB   ALA  50          3HB       ALA  50  -3.433  -4.494  -2.019
  462    QB   ALA  50           QB       ALA  50  -4.253  -4.141  -1.529
  463    H    MET  51           H        MET  51  -4.660  -4.704   1.872
  464    HA   MET  51           HA       MET  51  -1.883  -4.260   2.609
  465   1HB   MET  51          2HB       MET  51  -3.715  -2.794   3.392
  466   2HB   MET  51          1HB       MET  51  -4.408  -4.147   4.285
  467   1HG   MET  51          2HG       MET  51  -2.030  -4.303   5.372
  468   2HG   MET  51          1HG       MET  51  -1.868  -2.641   4.808
  469   1HE   MET  51          1HE       MET  51  -3.316  -0.977   5.003
  470   2HE   MET  51          3HE       MET  51  -4.598  -0.698   6.190
  471   3HE   MET  51          2HE       MET  51  -2.906  -0.530   6.657
  472    QB   MET  51           QB       MET  51  -4.061  -3.471   3.839
  473    QG   MET  51           QG       MET  51  -1.949  -3.472   5.090
  474    QE   MET  51           QE       MET  51  -3.607  -0.735   5.950
  475    H    ASP  52           H        ASP  52  -4.135  -6.883   2.985
  476    HA   ASP  52           HA       ASP  52  -2.529  -8.091   5.161
  477   1HB   ASP  52          2HB       ASP  52  -5.243  -8.265   4.339
  478   2HB   ASP  52          1HB       ASP  52  -4.535  -9.865   4.121
  479    QB   ASP  52           QB       ASP  52  -4.889  -9.065   4.230
  480    H    THR  53           H        THR  53  -2.722  -8.137   1.740
  481    HA   THR  53           HA       THR  53  -1.509 -10.829   1.532
  482    HB   THR  53           HB       THR  53  -1.638 -10.425  -0.911
  483    HG1  THR  53          1HG       THR  53  -1.724  -8.441  -1.532
  484   1HG2  THR  53          3HG2      THR  53  -3.634 -11.163   0.598
  485   2HG2  THR  53          2HG2      THR  53  -4.268  -9.553   0.261
  486   3HG2  THR  53          1HG2      THR  53  -3.964 -10.676  -1.064
  487    QG2  THR  53           QG2      THR  53  -3.955 -10.464  -0.069
  488    H    CYS  54           H        CYS  54   0.413  -9.975   2.821
  489    HA   CYS  54           HA       CYS  54   2.482  -9.094   0.911
  490   1HB   CYS  54          1HB       CYS  54   1.458  -7.011   1.985
  491   2HB   CYS  54          2HB       CYS  54   2.120  -7.589   3.510
  492    QB   CYS  54           QB       CYS  54   1.789  -7.300   2.747
  493    HA   PRO  55           HA       PRO  55   4.515 -12.071   3.503
  494   1HB   PRO  55          2HB       PRO  55   6.907 -12.062   2.220
  495   2HB   PRO  55          1HB       PRO  55   5.487 -12.894   1.591
  496   1HG   PRO  55          2HG       PRO  55   6.649 -10.274   0.768
  497   2HG   PRO  55          1HG       PRO  55   5.854 -11.507  -0.222
  498   1HD   PRO  55          2HD       PRO  55   4.655  -9.171   0.621
  499   2HD   PRO  55          1HD       PRO  55   3.777 -10.641   0.151
  500    QB   PRO  55           QB       PRO  55   6.197 -12.478   1.905
  501    QG   PRO  55           QG       PRO  55   6.251 -10.891   0.273
  502    QD   PRO  55           QD       PRO  55   4.216  -9.906   0.386
  503    H    VAL  56           H        VAL  56   4.299  -9.655   4.734
  504    HA   VAL  56           HA       VAL  56   6.354  -9.396   6.534
  505    HB   VAL  56           HB       VAL  56   8.022  -8.951   4.889
  506   1HG1  VAL  56          1HG1      VAL  56   5.766  -7.733   3.502
  507   2HG1  VAL  56          3HG1      VAL  56   7.201  -6.711   3.438
  508   3HG1  VAL  56          2HG1      VAL  56   7.272  -8.369   2.840
  509   1HG2  VAL  56          2HG2      VAL  56   7.551  -7.168   6.840
  510   2HG2  VAL  56          1HG2      VAL  56   8.850  -6.945   5.667
  511   3HG2  VAL  56          3HG2      VAL  56   7.312  -6.107   5.451
  512    QG1  VAL  56           QG1      VAL  56   6.746  -7.604   3.260
  513    QG2  VAL  56           QG2      VAL  56   7.904  -6.740   5.986
  514    QQG  VAL  56           QQG      VAL  56   7.325  -7.172   4.623
  515    H    GLN  57           H        GLN  57   4.035  -7.800   4.483
  516    HA   GLN  57           HA       GLN  57   2.450  -6.140   4.939
  517   1HB   GLN  57          2HB       GLN  57   2.944  -7.544   7.450
  518   2HB   GLN  57          1HB       GLN  57   2.471  -5.866   7.721
  519   1HG   GLN  57          2HG       GLN  57   0.559  -6.261   6.093
  520   2HG   GLN  57          1HG       GLN  57   0.964  -7.976   6.161
  521   1HE2  GLN  57          2HE2      GLN  57   0.047  -8.197   9.702
  522   2HE2  GLN  57          1HE2      GLN  57   1.300  -8.699   8.672
  523    QB   GLN  57           QB       GLN  57   2.708  -6.705   7.586
  524    QG   GLN  57           QG       GLN  57   0.762  -7.119   6.127
  525    QE2  GLN  57           QE2      GLN  57   0.674  -8.448   9.187
  526    H    CYS  58           H        CYS  58   4.242  -4.700   4.026
  527    HA   CYS  58           HA       CYS  58   5.712  -3.062   5.985
  528   1HB   CYS  58          2HB       CYS  58   6.590  -1.904   4.013
  529   2HB   CYS  58          1HB       CYS  58   6.707  -3.647   3.779
  530    HG   CYS  58           HG       CYS  58   5.609  -2.684   1.622
  531    QB   CYS  58           QB       CYS  58   6.648  -2.775   3.896
  532    H    ILE  59           H        ILE  59   2.576  -3.155   5.249
  533    HA   ILE  59           HA       ILE  59   2.010  -0.390   4.570
  534    HB   ILE  59           HB       ILE  59   0.519  -2.405   4.116
  535   1HG1  ILE  59          2HG1      ILE  59  -1.346  -0.696   5.513
  536   2HG1  ILE  59          1HG1      ILE  59  -0.101   0.284   4.738
  537   1HG2  ILE  59          1HG2      ILE  59   0.775  -2.663   6.920
  538   2HG2  ILE  59          3HG2      ILE  59  -0.899  -2.194   6.624
  539   3HG2  ILE  59          2HG2      ILE  59  -0.237  -3.632   5.847
  540   1HD1  ILE  59          1HD1      ILE  59  -1.149  -1.940   3.095
  541   2HD1  ILE  59          3HD1      ILE  59  -2.305  -0.654   3.441
  542   3HD1  ILE  59          2HD1      ILE  59  -0.781  -0.278   2.636
  543    QG1  ILE  59           QG1      ILE  59  -0.723  -0.206   5.125
  544    QG2  ILE  59           QG2      ILE  59  -0.120  -2.830   6.463
  545    QD1  ILE  59           QD1      ILE  59  -1.412  -0.958   3.057
  546    H    HIS  60           H        HIS  60   0.967   1.153   5.979
  547    HA   HIS  60           HA       HIS  60   0.933   0.651   8.870
  548   1HB   HIS  60          2HB       HIS  60   2.713   2.835   7.747
  549   2HB   HIS  60          1HB       HIS  60   2.477   2.433   9.448
  550    HD1  HIS  60          1HD       HIS  60   4.601   1.664   6.594
  551    HD2  HIS  60          2HD       HIS  60   3.418  -0.349  10.050
  552    HE1  HIS  60          1HE       HIS  60   6.232  -0.249   6.904
  553    QB   HIS  60           QB       HIS  60   2.595   2.634   8.598
  554    H    TRP  61           H        TRP  61  -0.855   1.695   9.612
  555    HA   TRP  61           HA       TRP  61  -2.312   3.519   7.888
  556   1HB   TRP  61          2HB       TRP  61  -2.713   2.678  10.764
  557   2HB   TRP  61          1HB       TRP  61  -3.794   3.777   9.925
  558    HD1  TRP  61           HD       TRP  61  -2.430   0.172   9.604
  559    HE1  TRP  61          1HE       TRP  61  -4.206  -1.232   8.364
  560    HE3  TRP  61          3HE       TRP  61  -5.780   3.819   8.512
  561    HZ2  TRP  61          2HZ       TRP  61  -6.740  -0.839   7.068
  562    HZ3  TRP  61          3HZ       TRP  61  -7.877   3.303   7.276
  563    HH2  TRP  61           HH       TRP  61  -8.356   0.977   6.553
  564    QB   TRP  61           QB       TRP  61  -3.254   3.227  10.345
  565    H    GLU  62           H        GLU  62  -3.110   5.676   8.944
  566    HA   GLU  62           HA       GLU  62  -0.959   7.017  10.483
  567   1HB   GLU  62          2HB       GLU  62  -0.206   7.559   8.310
  568   2HB   GLU  62          1HB       GLU  62  -1.844   7.734   7.688
  569   1HG   GLU  62          2HG       GLU  62  -0.808   9.941   7.977
  570   2HG   GLU  62          1HG       GLU  62  -2.148   9.748   9.108
  571    QB   GLU  62           QB       GLU  62  -1.025   7.646   7.999
  572    QG   GLU  62           QG       GLU  62  -1.478   9.845   8.542
  573    H    ASP  63           H        ASP  63  -2.201   7.641  12.205
  574    HA   ASP  63           HA       ASP  63  -4.752   9.082  11.596
  575   1HB   ASP  63          2HB       ASP  63  -5.241   7.031  12.796
  576   2HB   ASP  63          1HB       ASP  63  -4.003   7.394  13.999
  577    QB   ASP  63           QB       ASP  63  -4.622   7.212  13.397
  578    H    GLU  64           H        GLU  64  -3.987  11.197  11.613
  579    HA   GLU  64           HA       GLU  64  -2.258  12.058  13.861
  580   1HB   GLU  64          2HB       GLU  64  -2.653  12.902  11.134
  581   2HB   GLU  64          1HB       GLU  64  -2.943  14.263  12.217
  582   1HG   GLU  64          2HG       GLU  64  -0.764  13.628  13.385
  583   2HG   GLU  64          1HG       GLU  64  -0.458  12.551  12.023
  584    QB   GLU  64           QB       GLU  64  -2.798  13.582  11.675
  585    QG   GLU  64           QG       GLU  64  -0.611  13.090  12.704
   
  No H/Q in entry =         585
  Start of MODEL    9
    1    HA   ALA   1           HA       ALA   1  -8.354  12.669   9.837
    2   1HB   ALA   1          1HB       ALA   1 -10.627  12.413  10.907
    3   2HB   ALA   1          3HB       ALA   1 -10.310  10.681  11.022
    4   3HB   ALA   1          2HB       ALA   1  -9.293  11.824  11.898
    5    QB   ALA   1           QB       ALA   1 -10.077  11.639  11.276
    6    H    ARG   2           H        ARG   2  -9.398   9.303   9.251
    7    HA   ARG   2           HA       ARG   2  -6.742   8.348  10.159
    8   1HB   ARG   2          2HB       ARG   2  -7.838   6.068   9.644
    9   2HB   ARG   2          1HB       ARG   2  -8.501   6.991  10.994
   10   1HG   ARG   2          2HG       ARG   2 -10.466   7.430   9.907
   11   2HG   ARG   2          1HG       ARG   2  -9.684   7.555   8.330
   12   1HD   ARG   2          2HD       ARG   2 -11.022   5.566   8.264
   13   2HD   ARG   2          1HD       ARG   2  -9.348   5.036   8.425
   14    HE   ARG   2           HE       ARG   2 -11.046   5.281  10.863
   15   1HH1  ARG   2          1HH1      ARG   2  -9.959   3.805  12.356
   16   2HH1  ARG   2          2HH1      ARG   2  -9.524   2.252  11.724
   17   1HH2  ARG   2          1HH2      ARG   2 -10.132   3.131   8.424
   18   2HH2  ARG   2          2HH2      ARG   2  -9.621   1.871   9.497
   19    QB   ARG   2           QB       ARG   2  -8.169   6.530  10.319
   20    QG   ARG   2           QG       ARG   2 -10.075   7.492   9.119
   21    QD   ARG   2           QD       ARG   2 -10.185   5.301   8.345
   22    QH1  ARG   2           QH1      ARG   2  -9.742   3.029  12.040
   23    QH2  ARG   2           QH2      ARG   2  -9.877   2.501   8.961
   24    H    LYS   3           H        LYS   3  -5.258   8.733   8.536
   25    HA   LYS   3           HA       LYS   3  -6.008   7.985   5.750
   26   1HB   LYS   3          2HB       LYS   3  -4.758  10.224   6.629
   27   2HB   LYS   3          1HB       LYS   3  -3.358   9.200   6.308
   28   1HG   LYS   3          2HG       LYS   3  -3.620   9.398   4.076
   29   2HG   LYS   3          1HG       LYS   3  -5.336   9.000   4.180
   30   1HD   LYS   3          2HD       LYS   3  -5.826  11.329   4.866
   31   2HD   LYS   3          1HD       LYS   3  -4.113  11.724   4.716
   32   1HE   LYS   3          2HE       LYS   3  -5.162  10.404   2.328
   33   2HE   LYS   3          1HE       LYS   3  -6.002  11.913   2.687
   34   1HZ   LYS   3          1HZ       LYS   3  -3.404  12.531   3.122
   35   2HZ   LYS   3          3HZ       LYS   3  -3.307  11.485   1.791
   36   3HZ   LYS   3          2HZ       LYS   3  -4.271  12.880   1.703
   37    QB   LYS   3           QB       LYS   3  -4.058   9.712   6.469
   38    QG   LYS   3           QG       LYS   3  -4.478   9.199   4.128
   39    QD   LYS   3           QD       LYS   3  -4.970  11.527   4.791
   40    QE   LYS   3           QE       LYS   3  -5.582  11.158   2.507
   41    QZ   LYS   3           QZ       LYS   3  -3.660  12.298   2.205
   42    H    PHE   4           H        PHE   4  -3.236   7.585   4.953
   43    HA   PHE   4           HA       PHE   4  -1.878   5.638   6.478
   44   1HB   PHE   4          2HB       PHE   4  -2.595   3.548   5.564
   45   2HB   PHE   4          1HB       PHE   4  -4.066   4.393   6.040
   46    HD1  PHE   4          1HD       PHE   4  -4.888   6.132   4.070
   47    HD2  PHE   4          2HD       PHE   4  -2.696   2.480   3.510
   48    HE1  PHE   4          1HE       PHE   4  -5.727   5.984   1.740
   49    HE2  PHE   4          2HE       PHE   4  -3.536   2.332   1.182
   50    HZ   PHE   4           HZ       PHE   4  -5.052   4.084   0.297
   51    QB   PHE   4           QB       PHE   4  -3.331   3.971   5.802
   52    QD   PHE   4           QD       PHE   4  -3.792   4.306   3.790
   53    QE   PHE   4           QE       PHE   4  -4.632   4.158   1.461
   54    QR   PHE   4           QR       PHE   4  -4.380   4.202   2.160
   55    H    TYR   5           H        TYR   5  -0.588   4.101   4.816
   56    HA   TYR   5           HA       TYR   5  -0.072   4.895   2.166
   57   1HB   TYR   5          2HB       TYR   5   1.949   6.263   2.399
   58   2HB   TYR   5          1HB       TYR   5   0.603   7.072   3.189
   59    HD1  TYR   5          1HD       TYR   5   3.917   5.794   3.592
   60    HD2  TYR   5          2HD       TYR   5   0.297   6.653   5.738
   61    HE1  TYR   5          1HE       TYR   5   5.182   5.800   5.725
   62    HE2  TYR   5          2HE       TYR   5   1.561   6.659   7.870
   63    HH   TYR   5           HH       TYR   5   3.823   6.950   8.664
   64    QB   TYR   5           QB       TYR   5   1.276   6.668   2.794
   65    QD   TYR   5           QD       TYR   5   2.107   6.224   4.665
   66    QE   TYR   5           QE       TYR   5   3.371   6.229   6.797
   67    QR   TYR   5           QR       TYR   5   2.739   6.227   5.731
   68    H    VAL   6           H        VAL   6   2.679   4.453   1.991
   69    HA   VAL   6           HA       VAL   6   3.076   2.001   3.646
   70    HB   VAL   6           HB       VAL   6   4.193   1.726   0.972
   71   1HG1  VAL   6          3HG1      VAL   6   3.671   0.137   3.048
   72   2HG1  VAL   6          2HG1      VAL   6   2.165  -0.102   2.160
   73   3HG1  VAL   6          1HG1      VAL   6   3.710  -0.473   1.394
   74   1HG2  VAL   6          1HG2      VAL   6   1.795   2.949   0.783
   75   2HG2  VAL   6          3HG2      VAL   6   2.317   1.716  -0.351
   76   3HG2  VAL   6          2HG2      VAL   6   1.241   1.291   0.980
   77    QG1  VAL   6           QG1      VAL   6   3.182  -0.146   2.200
   78    QG2  VAL   6           QG2      VAL   6   1.784   1.985   0.470
   79    QQG  VAL   6           QQG      VAL   6   2.483   0.920   1.335
   80    H    ASP   7           H        ASP   7   5.328   1.113   2.562
   81    HA   ASP   7           HA       ASP   7   7.250   3.257   2.299
   82   1HB   ASP   7          2HB       ASP   7   6.812   1.991   4.832
   83   2HB   ASP   7          1HB       ASP   7   8.412   1.562   4.241
   84    QB   ASP   7           QB       ASP   7   7.612   1.777   4.536
   85    H    GLN   8           H        GLN   8   7.836   2.514   0.400
   86    HA   GLN   8           HA       GLN   8   8.181  -0.241  -0.295
   87   1HB   GLN   8          2HB       GLN   8   9.325   2.292  -1.474
   88   2HB   GLN   8          1HB       GLN   8   9.554   0.688  -2.163
   89   1HG   GLN   8          2HG       GLN   8   7.656   1.438  -3.313
   90   2HG   GLN   8          1HG       GLN   8   6.960   0.516  -1.981
   91   1HE2  GLN   8          2HE2      GLN   8   6.933   4.613  -1.536
   92   2HE2  GLN   8          1HE2      GLN   8   8.290   3.870  -2.234
   93    QB   GLN   8           QB       GLN   8   9.440   1.490  -1.818
   94    QG   GLN   8           QG       GLN   8   7.308   0.977  -2.647
   95    QE2  GLN   8           QE2      GLN   8   7.611   4.241  -1.885
   96    H    ASP   9           H        ASP   9   9.478   0.147   2.142
   97    HA   ASP   9           HA       ASP   9  12.386   0.101   1.498
   98   1HB   ASP   9          2HB       ASP   9  10.954   1.153   3.668
   99   2HB   ASP   9          1HB       ASP   9  11.702  -0.317   4.298
  100    QB   ASP   9           QB       ASP   9  11.328   0.418   3.983
  101    H    GLU  10           H        GLU  10   9.709  -1.839   2.590
  102    HA   GLU  10           HA       GLU  10  11.514  -4.216   2.678
  103   1HB   GLU  10          2HB       GLU  10   9.637  -3.231   4.591
  104   2HB   GLU  10          1HB       GLU  10   8.989  -4.731   3.931
  105   1HG   GLU  10          2HG       GLU  10  10.424  -5.886   5.223
  106   2HG   GLU  10          1HG       GLU  10  11.766  -5.152   4.343
  107    QB   GLU  10           QB       GLU  10   9.313  -3.981   4.261
  108    QG   GLU  10           QG       GLU  10  11.095  -5.519   4.783
  109    H    CYS  11           H        CYS  11  10.006  -2.909   0.383
  110    HA   CYS  11           HA       CYS  11   7.926  -4.919  -0.198
  111   1HB   CYS  11          1HB       CYS  11   7.357  -2.666  -0.844
  112   2HB   CYS  11          2HB       CYS  11   8.872  -2.481  -1.729
  113    QB   CYS  11           QB       CYS  11   8.115  -2.573  -1.286
  114    H    ILE  12           H        ILE  12   8.443  -6.782  -1.146
  115    HA   ILE  12           HA       ILE  12  11.017  -7.067  -2.561
  116    HB   ILE  12           HB       ILE  12  10.229  -9.490  -2.737
  117   1HG1  ILE  12          2HG1      ILE  12   8.137  -8.581  -0.746
  118   2HG1  ILE  12          1HG1      ILE  12   7.781  -8.779  -2.462
  119   1HG2  ILE  12          3HG2      ILE  12  10.735  -7.986  -0.196
  120   2HG2  ILE  12          2HG2      ILE  12  10.318  -9.696  -0.091
  121   3HG2  ILE  12          1HG2      ILE  12  11.741  -9.190  -1.002
  122   1HD1  ILE  12          1HD1      ILE  12   8.808 -11.142  -2.194
  123   2HD1  ILE  12          3HD1      ILE  12   8.602 -10.882  -0.462
  124   3HD1  ILE  12          2HD1      ILE  12   7.198 -10.868  -1.529
  125    QG1  ILE  12           QG1      ILE  12   7.959  -8.680  -1.604
  126    QG2  ILE  12           QG2      ILE  12  10.932  -8.957  -0.430
  127    QD1  ILE  12           QD1      ILE  12   8.203 -10.964  -1.395
  128    H    ALA  13           H        ALA  13   8.126  -5.861  -3.427
  129    HA   ALA  13           HA       ALA  13   7.068  -5.546  -5.492
  130   1HB   ALA  13          2HB       ALA  13   9.854  -6.278  -6.144
  131   2HB   ALA  13          1HB       ALA  13   8.694  -6.574  -7.440
  132   3HB   ALA  13          3HB       ALA  13   8.863  -4.955  -6.760
  133    QB   ALA  13           QB       ALA  13   9.137  -5.936  -6.781
  134    H    CYS  14           H        CYS  14   5.797  -7.486  -4.399
  135    HA   CYS  14           HA       CYS  14   6.070  -9.918  -6.095
  136   1HB   CYS  14          1HB       CYS  14   4.709 -11.063  -4.442
  137   2HB   CYS  14          2HB       CYS  14   6.031 -10.236  -3.627
  138    QB   CYS  14           QB       CYS  14   5.370 -10.650  -4.035
  139    H    GLU  15           H        GLU  15   4.250  -7.086  -5.852
  140    HA   GLU  15           HA       GLU  15   2.395  -6.378  -7.114
  141   1HB   GLU  15          2HB       GLU  15   3.497  -8.391  -8.636
  142   2HB   GLU  15          1HB       GLU  15   1.851  -8.975  -8.384
  143   1HG   GLU  15          2HG       GLU  15   1.674  -6.191  -8.939
  144   2HG   GLU  15          1HG       GLU  15   2.752  -6.895 -10.145
  145    QB   GLU  15           QB       GLU  15   2.674  -8.683  -8.510
  146    QG   GLU  15           QG       GLU  15   2.213  -6.543  -9.542
  147    H    SER  16           H        SER  16   2.389  -8.585  -4.713
  148    HA   SER  16           HA       SER  16  -0.210  -9.766  -4.826
  149   1HB   SER  16          2HB       SER  16   0.033  -9.905  -2.318
  150   2HB   SER  16          1HB       SER  16   1.400 -10.567  -3.210
  151    HG   SER  16           HG       SER  16   2.222  -9.227  -1.649
  152    QB   SER  16           QB       SER  16   0.717 -10.236  -2.764
  153    H    CYS  17           H        CYS  17   0.721  -7.075  -2.661
  154    HA   CYS  17           HA       CYS  17  -1.850  -6.166  -2.058
  155   1HB   CYS  17          1HB       CYS  17  -0.833  -4.071  -1.447
  156   2HB   CYS  17          2HB       CYS  17   0.349  -5.333  -1.100
  157    QB   CYS  17           QB       CYS  17  -0.242  -4.702  -1.273
  158    H    VAL  18           H        VAL  18   0.247  -4.879  -4.674
  159    HA   VAL  18           HA       VAL  18  -1.537  -3.104  -5.855
  160    HB   VAL  18           HB       VAL  18   0.275  -5.039  -7.335
  161   1HG1  VAL  18          3HG1      VAL  18  -1.463  -3.818  -8.699
  162   2HG1  VAL  18          2HG1      VAL  18  -0.738  -2.303  -8.161
  163   3HG1  VAL  18          1HG1      VAL  18   0.201  -3.430  -9.140
  164   1HG2  VAL  18          3HG2      VAL  18   0.730  -2.383  -5.974
  165   2HG2  VAL  18          2HG2      VAL  18   1.670  -3.868  -5.827
  166   3HG2  VAL  18          1HG2      VAL  18   1.762  -2.909  -7.304
  167    QG1  VAL  18           QG1      VAL  18  -0.667  -3.184  -8.667
  168    QG2  VAL  18           QG2      VAL  18   1.387  -3.054  -6.368
  169    QQG  VAL  18           QQG      VAL  18   0.360  -3.119  -7.517
  170    H    GLU  19           H        GLU  19  -1.565  -6.637  -6.008
  171    HA   GLU  19           HA       GLU  19  -3.610  -6.765  -8.050
  172   1HB   GLU  19          2HB       GLU  19  -2.186  -8.662  -6.309
  173   2HB   GLU  19          1HB       GLU  19  -3.866  -9.111  -6.611
  174   1HG   GLU  19          2HG       GLU  19  -3.424  -8.736  -9.075
  175   2HG   GLU  19          1HG       GLU  19  -1.714  -8.570  -8.671
  176    QB   GLU  19           QB       GLU  19  -3.026  -8.886  -6.460
  177    QG   GLU  19           QG       GLU  19  -2.569  -8.653  -8.873
  178    H    ILE  20           H        ILE  20  -3.593  -6.588  -4.547
  179    HA   ILE  20           HA       ILE  20  -6.496  -6.921  -4.376
  180    HB   ILE  20           HB       ILE  20  -4.319  -6.262  -2.437
  181   1HG1  ILE  20          2HG1      ILE  20  -5.718  -8.543  -3.337
  182   2HG1  ILE  20          1HG1      ILE  20  -4.321  -8.464  -2.309
  183   1HG2  ILE  20          1HG2      ILE  20  -7.300  -6.111  -1.984
  184   2HG2  ILE  20          3HG2      ILE  20  -6.139  -6.281  -0.667
  185   3HG2  ILE  20          2HG2      ILE  20  -6.111  -4.844  -1.688
  186   1HD1  ILE  20          2HD1      ILE  20  -7.187  -8.166  -1.362
  187   2HD1  ILE  20          1HD1      ILE  20  -6.215  -9.628  -1.194
  188   3HD1  ILE  20          3HD1      ILE  20  -5.752  -8.158  -0.338
  189    QG1  ILE  20           QG1      ILE  20  -5.019  -8.503  -2.823
  190    QG2  ILE  20           QG2      ILE  20  -6.517  -5.745  -1.446
  191    QD1  ILE  20           QD1      ILE  20  -6.385  -8.651  -0.965
  192    H    ALA  21           H        ALA  21  -4.677  -4.580  -5.686
  193    HA   ALA  21           HA       ALA  21  -6.689  -2.588  -5.704
  194   1HB   ALA  21          3HB       ALA  21  -4.501  -2.116  -3.655
  195   2HB   ALA  21          2HB       ALA  21  -5.628  -0.880  -4.215
  196   3HB   ALA  21          1HB       ALA  21  -6.225  -2.281  -3.325
  197    QB   ALA  21           QB       ALA  21  -5.451  -1.759  -3.732
  198    HA   PRO  22           HA       PRO  22  -2.936  -2.250  -8.445
  199   1HB   PRO  22          2HB       PRO  22  -4.236  -2.690 -10.791
  200   2HB   PRO  22          1HB       PRO  22  -3.552  -3.988  -9.813
  201   1HG   PRO  22          2HG       PRO  22  -6.392  -3.070  -9.999
  202   2HG   PRO  22          1HG       PRO  22  -5.757  -4.718  -9.871
  203   1HD   PRO  22          2HD       PRO  22  -6.824  -3.366  -7.757
  204   2HD   PRO  22          1HD       PRO  22  -5.569  -4.609  -7.585
  205    QB   PRO  22           QB       PRO  22  -3.894  -3.339 -10.302
  206    QG   PRO  22           QG       PRO  22  -6.074  -3.894  -9.935
  207    QD   PRO  22           QD       PRO  22  -6.197  -3.987  -7.671
  208    H    GLY  23           H        GLY  23  -5.781  -0.631  -7.802
  209   1HA   GLY  23          2HA       GLY  23  -5.429   1.391  -9.943
  210   2HA   GLY  23          1HA       GLY  23  -6.783   1.311  -8.816
  211    QA   GLY  23           QA       GLY  23  -6.106   1.351  -9.380
  212    H    ALA  24           H        ALA  24  -5.043   0.956  -6.473
  213    HA   ALA  24           HA       ALA  24  -4.082   3.778  -6.284
  214   1HB   ALA  24          3HB       ALA  24  -5.167   1.849  -4.224
  215   2HB   ALA  24          2HB       ALA  24  -4.311   3.321  -3.771
  216   3HB   ALA  24          1HB       ALA  24  -5.818   3.423  -4.681
  217    QB   ALA  24           QB       ALA  24  -5.099   2.864  -4.225
  218    H    PHE  25           H        PHE  25  -3.303   0.517  -5.000
  219    HA   PHE  25           HA       PHE  25  -0.628   1.436  -4.310
  220   1HB   PHE  25          2HB       PHE  25  -2.177  -0.779  -3.602
  221   2HB   PHE  25          1HB       PHE  25  -0.936  -1.469  -4.643
  222    HD1  PHE  25          1HD       PHE  25   1.533  -0.478  -4.160
  223    HD2  PHE  25          2HD       PHE  25  -1.686  -0.632  -1.322
  224    HE1  PHE  25          1HE       PHE  25   3.166  -0.393  -2.289
  225    HE2  PHE  25          2HE       PHE  25  -0.047  -0.535   0.539
  226    HZ   PHE  25           HZ       PHE  25   2.382  -0.416   0.046
  227    QB   PHE  25           QB       PHE  25  -1.556  -1.124  -4.123
  228    QD   PHE  25           QD       PHE  25  -0.076  -0.555  -2.741
  229    QE   PHE  25           QE       PHE  25   1.560  -0.464  -0.875
  230    QR   PHE  25           QR       PHE  25   1.070  -0.491  -1.437
  231    H    ALA  26           H        ALA  26   1.219   1.177  -5.544
  232    HA   ALA  26           HA       ALA  26   1.363  -0.489  -7.889
  233   1HB   ALA  26          3HB       ALA  26  -0.081   1.836  -8.309
  234   2HB   ALA  26          2HB       ALA  26   1.539   2.278  -8.848
  235   3HB   ALA  26          1HB       ALA  26   0.718   0.892  -9.566
  236    QB   ALA  26           QB       ALA  26   0.725   1.668  -8.908
  237    H    MET  27           H        MET  27   3.497  -0.659  -8.562
  238    HA   MET  27           HA       MET  27   5.503   0.502  -6.852
  239   1HB   MET  27          2HB       MET  27   5.764  -1.030  -9.448
  240   2HB   MET  27          1HB       MET  27   7.115  -0.617  -8.392
  241   1HG   MET  27          2HG       MET  27   6.623  -2.279  -6.940
  242   2HG   MET  27          1HG       MET  27   4.904  -1.885  -6.953
  243   1HE   MET  27          1HE       MET  27   7.317  -2.434  -9.720
  244   2HE   MET  27          3HE       MET  27   7.786  -3.952  -8.941
  245   3HE   MET  27          2HE       MET  27   6.923  -3.976 -10.477
  246    QB   MET  27           QB       MET  27   6.440  -0.823  -8.920
  247    QG   MET  27           QG       MET  27   5.763  -2.082  -6.947
  248    QE   MET  27           QE       MET  27   7.342  -3.454  -9.712
  249    H    ASP  28           H        ASP  28   7.330   1.901  -7.582
  250    HA   ASP  28           HA       ASP  28   6.502   3.596  -9.908
  251   1HB   ASP  28          2HB       ASP  28   6.381   4.433  -7.319
  252   2HB   ASP  28          1HB       ASP  28   8.059   4.833  -7.697
  253    QB   ASP  28           QB       ASP  28   7.220   4.633  -7.508
  254    HA   PRO  29           HA       PRO  29  10.659   2.781 -11.078
  255   1HB   PRO  29          2HB       PRO  29  11.175   4.885 -12.719
  256   2HB   PRO  29          1HB       PRO  29  10.076   3.578 -13.156
  257   1HG   PRO  29          2HG       PRO  29   9.449   6.351 -12.394
  258   2HG   PRO  29          1HG       PRO  29   8.469   5.189 -13.298
  259   1HD   PRO  29          2HD       PRO  29   8.224   5.922 -10.550
  260   2HD   PRO  29          1HD       PRO  29   7.281   4.716 -11.434
  261    QB   PRO  29           QB       PRO  29  10.625   4.232 -12.938
  262    QG   PRO  29           QG       PRO  29   8.959   5.770 -12.846
  263    QD   PRO  29           QD       PRO  29   7.753   5.319 -10.992
  264    H    GLU  30           H        GLU  30   9.802   5.622  -9.401
  265    HA   GLU  30           HA       GLU  30  12.611   6.456  -8.913
  266   1HB   GLU  30          2HB       GLU  30  10.233   7.885  -9.059
  267   2HB   GLU  30          1HB       GLU  30  10.500   7.745  -7.321
  268   1HG   GLU  30          2HG       GLU  30  12.813   8.501  -9.067
  269   2HG   GLU  30          1HG       GLU  30  11.602   9.727  -8.686
  270    QB   GLU  30           QB       GLU  30  10.366   7.815  -8.190
  271    QG   GLU  30           QG       GLU  30  12.207   9.114  -8.877
  272    H    ILE  31           H        ILE  31   9.899   4.825  -7.515
  273    HA   ILE  31           HA       ILE  31  11.396   4.352  -5.003
  274    HB   ILE  31           HB       ILE  31   9.379   4.057  -3.887
  275   1HG1  ILE  31          2HG1      ILE  31   8.290   3.335  -6.615
  276   2HG1  ILE  31          1HG1      ILE  31   8.389   2.322  -5.177
  277   1HG2  ILE  31          3HG2      ILE  31   9.678   6.332  -5.349
  278   2HG2  ILE  31          2HG2      ILE  31   8.114   5.776  -5.944
  279   3HG2  ILE  31          1HG2      ILE  31   8.349   6.066  -4.220
  280   1HD1  ILE  31          1HD1      ILE  31   6.659   4.797  -5.442
  281   2HD1  ILE  31          3HD1      ILE  31   6.077   3.139  -5.576
  282   3HD1  ILE  31          2HD1      ILE  31   6.729   3.723  -4.045
  283    QG1  ILE  31           QG1      ILE  31   8.340   2.828  -5.896
  284    QG2  ILE  31           QG2      ILE  31   8.714   6.058  -5.171
  285    QD1  ILE  31           QD1      ILE  31   6.488   3.886  -5.021
  286    H    GLU  32           H        GLU  32  10.762   3.043  -7.958
  287    HA   GLU  32           HA       GLU  32  10.554   0.849  -8.776
  288   1HB   GLU  32          2HB       GLU  32  12.921   0.588  -6.890
  289   2HB   GLU  32          1HB       GLU  32  12.599  -0.424  -8.300
  290   1HG   GLU  32          2HG       GLU  32  12.626   2.485  -8.834
  291   2HG   GLU  32          1HG       GLU  32  14.181   1.798  -8.360
  292    QB   GLU  32           QB       GLU  32  12.760   0.082  -7.595
  293    QG   GLU  32           QG       GLU  32  13.403   2.142  -8.597
  294    H    LYS  33           H        LYS  33   8.757   1.214  -6.681
  295    HA   LYS  33           HA       LYS  33   8.351  -1.541  -5.832
  296   1HB   LYS  33          2HB       LYS  33   9.808   0.263  -4.041
  297   2HB   LYS  33          1HB       LYS  33   8.383  -0.462  -3.298
  298   1HG   LYS  33          2HG       LYS  33   9.180  -2.632  -3.542
  299   2HG   LYS  33          1HG       LYS  33  10.233  -2.204  -4.886
  300   1HD   LYS  33          2HD       LYS  33  11.168  -0.642  -2.769
  301   2HD   LYS  33          1HD       LYS  33  10.806  -2.203  -2.032
  302   1HE   LYS  33          2HE       LYS  33  12.845  -2.821  -2.814
  303   2HE   LYS  33          1HE       LYS  33  12.030  -2.959  -4.373
  304   1HZ   LYS  33          2HZ       LYS  33  12.556  -0.537  -4.679
  305   2HZ   LYS  33          1HZ       LYS  33  13.577  -0.658  -3.326
  306   3HZ   LYS  33          3HZ       LYS  33  13.893  -1.584  -4.712
  307    QB   LYS  33           QB       LYS  33   9.096  -0.099  -3.669
  308    QG   LYS  33           QG       LYS  33   9.706  -2.418  -4.214
  309    QD   LYS  33           QD       LYS  33  10.987  -1.422  -2.400
  310    QE   LYS  33           QE       LYS  33  12.438  -2.890  -3.593
  311    QZ   LYS  33           QZ       LYS  33  13.342  -0.926  -4.239
  312    H    ALA  34           H        ALA  34   6.265  -1.866  -5.032
  313    HA   ALA  34           HA       ALA  34   4.192  -0.206  -5.825
  314   1HB   ALA  34          1HB       ALA  34   4.266  -2.639  -4.777
  315   2HB   ALA  34          3HB       ALA  34   3.800  -1.770  -3.318
  316   3HB   ALA  34          2HB       ALA  34   2.787  -1.684  -4.759
  317    QB   ALA  34           QB       ALA  34   3.618  -2.031  -4.285
  318    H    TYR  35           H        TYR  35   2.889   1.409  -4.845
  319    HA   TYR  35           HA       TYR  35   3.774   2.419  -2.172
  320   1HB   TYR  35          2HB       TYR  35   3.711   4.729  -2.966
  321   2HB   TYR  35          1HB       TYR  35   4.870   3.804  -3.902
  322    HD1  TYR  35          1HD       TYR  35   1.670   2.758  -4.981
  323    HD2  TYR  35          2HD       TYR  35   4.387   6.057  -5.292
  324    HE1  TYR  35          1HE       TYR  35   0.520   3.484  -7.026
  325    HE2  TYR  35          2HE       TYR  35   3.236   6.788  -7.362
  326    HH   TYR  35           HH       TYR  35   0.978   4.813  -9.010
  327    QB   TYR  35           QB       TYR  35   4.290   4.267  -3.434
  328    QD   TYR  35           QD       TYR  35   3.029   4.408  -5.136
  329    QE   TYR  35           QE       TYR  35   1.878   5.136  -7.194
  330    QR   TYR  35           QR       TYR  35   2.453   4.772  -6.165
  331    H    VAL  36           H        VAL  36   2.076   4.435  -1.737
  332    HA   VAL  36           HA       VAL  36  -0.641   3.345  -2.350
  333    HB   VAL  36           HB       VAL  36   0.577   4.133   0.277
  334   1HG1  VAL  36          1HG1      VAL  36  -2.271   4.606  -0.557
  335   2HG1  VAL  36          3HG1      VAL  36  -1.866   4.233   1.117
  336   3HG1  VAL  36          2HG1      VAL  36  -1.194   5.670   0.347
  337   1HG2  VAL  36          3HG2      VAL  36   0.089   1.758  -0.627
  338   2HG2  VAL  36          2HG2      VAL  36  -0.428   2.129   1.017
  339   3HG2  VAL  36          1HG2      VAL  36  -1.601   2.133  -0.300
  340    QG1  VAL  36           QG1      VAL  36  -1.777   4.836   0.302
  341    QG2  VAL  36           QG2      VAL  36  -0.647   2.006   0.030
  342    QQG  VAL  36           QQG      VAL  36  -1.212   3.421   0.166
  343    H    LYS  37           H        LYS  37  -0.958   4.870  -4.005
  344    HA   LYS  37           HA       LYS  37  -0.681   7.740  -3.235
  345   1HB   LYS  37          2HB       LYS  37  -1.102   6.458  -5.942
  346   2HB   LYS  37          1HB       LYS  37  -0.909   8.188  -5.656
  347   1HG   LYS  37          2HG       LYS  37   1.115   5.991  -5.226
  348   2HG   LYS  37          1HG       LYS  37   1.241   7.410  -6.269
  349   1HD   LYS  37          2HD       LYS  37   0.812   8.615  -3.869
  350   2HD   LYS  37          1HD       LYS  37   1.690   7.175  -3.350
  351   1HE   LYS  37          2HE       LYS  37   3.316   7.788  -5.313
  352   2HE   LYS  37          1HE       LYS  37   2.593   9.391  -5.169
  353   1HZ   LYS  37          2HZ       LYS  37   3.074   9.079  -2.676
  354   2HZ   LYS  37          1HZ       LYS  37   4.171   7.887  -3.188
  355   3HZ   LYS  37          3HZ       LYS  37   4.357   9.490  -3.710
  356    QB   LYS  37           QB       LYS  37  -1.005   7.323  -5.799
  357    QG   LYS  37           QG       LYS  37   1.178   6.700  -5.748
  358    QD   LYS  37           QD       LYS  37   1.251   7.895  -3.609
  359    QE   LYS  37           QE       LYS  37   2.955   8.590  -5.241
  360    QZ   LYS  37           QZ       LYS  37   3.868   8.819  -3.191
  361    H    ASP  38           H        ASP  38  -3.029   5.526  -4.755
  362    HA   ASP  38           HA       ASP  38  -5.084   7.642  -4.497
  363   1HB   ASP  38          2HB       ASP  38  -4.896   6.329  -6.586
  364   2HB   ASP  38          1HB       ASP  38  -5.271   4.870  -5.681
  365    QB   ASP  38           QB       ASP  38  -5.084   5.599  -6.133
  366    H    VAL  39           H        VAL  39  -6.243   7.775  -2.667
  367    HA   VAL  39           HA       VAL  39  -6.325   5.553  -0.764
  368    HB   VAL  39           HB       VAL  39  -7.512   7.090   0.676
  369   1HG1  VAL  39          1HG1      VAL  39  -5.039   7.483   0.160
  370   2HG1  VAL  39          3HG1      VAL  39  -5.567   8.781  -0.911
  371   3HG1  VAL  39          2HG1      VAL  39  -5.915   8.866   0.816
  372   1HG2  VAL  39          1HG2      VAL  39  -8.068   8.460  -1.932
  373   2HG2  VAL  39          3HG2      VAL  39  -9.161   8.136  -0.586
  374   3HG2  VAL  39          2HG2      VAL  39  -7.980   9.441  -0.470
  375    QG1  VAL  39           QG1      VAL  39  -5.507   8.377   0.022
  376    QG2  VAL  39           QG2      VAL  39  -8.403   8.679  -0.996
  377    QQG  VAL  39           QQG      VAL  39  -6.955   8.528  -0.487
  378    H    GLU  40           H        GLU  40  -8.230   6.647  -3.405
  379    HA   GLU  40           HA       GLU  40 -10.606   5.138  -2.426
  380   1HB   GLU  40          2HB       GLU  40 -10.395   7.578  -3.745
  381   2HB   GLU  40          1HB       GLU  40 -10.889   6.454  -5.010
  382   1HG   GLU  40          2HG       GLU  40 -12.890   7.316  -3.961
  383   2HG   GLU  40          1HG       GLU  40 -12.703   5.631  -3.476
  384    QB   GLU  40           QB       GLU  40 -10.642   7.016  -4.378
  385    QG   GLU  40           QG       GLU  40 -12.797   6.473  -3.718
  386    H    GLY  41           H        GLY  41  -7.853   4.498  -4.083
  387   1HA   GLY  41          2HA       GLY  41  -8.962   3.029  -6.348
  388   2HA   GLY  41          1HA       GLY  41  -7.281   2.996  -5.817
  389    QA   GLY  41           QA       GLY  41  -8.122   3.013  -6.083
  390    H    ALA  42           H        ALA  42  -8.810   2.423  -3.039
  391    HA   ALA  42           HA       ALA  42  -9.451  -0.426  -3.514
  392   1HB   ALA  42          2HB       ALA  42  -6.888   0.067  -2.950
  393   2HB   ALA  42          1HB       ALA  42  -7.517   0.123  -1.303
  394   3HB   ALA  42          3HB       ALA  42  -7.723  -1.332  -2.277
  395    QB   ALA  42           QB       ALA  42  -7.376  -0.381  -2.177
  396    H    SER  43           H        SER  43 -11.176  -0.953  -2.257
  397    HA   SER  43           HA       SER  43 -12.312   0.939  -0.409
  398   1HB   SER  43          2HB       SER  43 -13.247  -1.767   0.035
  399   2HB   SER  43          1HB       SER  43 -14.115  -0.389  -0.635
  400    HG   SER  43           HG       SER  43 -13.874  -2.148  -2.120
  401    QB   SER  43           QB       SER  43 -13.681  -1.078  -0.300
  402    H    GLN  44           H        GLN  44 -12.792   0.325   1.926
  403    HA   GLN  44           HA       GLN  44 -10.441   0.050   3.434
  404   1HB   GLN  44          2HB       GLN  44 -13.329  -0.073   3.971
  405   2HB   GLN  44          1HB       GLN  44 -12.364  -1.024   5.102
  406   1HG   GLN  44          2HG       GLN  44 -12.537   1.218   5.991
  407   2HG   GLN  44          1HG       GLN  44 -10.886   0.997   5.412
  408   1HE2  GLN  44          2HE2      GLN  44 -12.977   4.023   3.921
  409   2HE2  GLN  44          1HE2      GLN  44 -13.332   3.231   5.380
  410    QB   GLN  44           QB       GLN  44 -12.846  -0.548   4.536
  411    QG   GLN  44           QG       GLN  44 -11.712   1.107   5.701
  412    QE2  GLN  44           QE2      GLN  44 -13.155   3.627   4.650
  413    H    GLU  45           H        GLU  45 -12.769  -2.487   2.498
  414    HA   GLU  45           HA       GLU  45 -11.354  -4.619   3.814
  415   1HB   GLU  45          2HB       GLU  45 -13.188  -4.783   1.404
  416   2HB   GLU  45          1HB       GLU  45 -12.767  -6.106   2.491
  417   1HG   GLU  45          2HG       GLU  45 -14.143  -3.564   3.399
  418   2HG   GLU  45          1HG       GLU  45 -15.004  -5.046   2.979
  419    QB   GLU  45           QB       GLU  45 -12.978  -5.444   1.947
  420    QG   GLU  45           QG       GLU  45 -14.573  -4.305   3.189
  421    H    GLU  46           H        GLU  46 -10.527  -2.752   1.128
  422    HA   GLU  46           HA       GLU  46  -8.933  -4.950  -0.113
  423   1HB   GLU  46          2HB       GLU  46  -9.287  -2.086  -1.055
  424   2HB   GLU  46          1HB       GLU  46  -8.629  -3.434  -1.977
  425   1HG   GLU  46          2HG       GLU  46 -10.955  -4.550  -1.465
  426   2HG   GLU  46          1HG       GLU  46 -11.472  -2.884  -1.196
  427    QB   GLU  46           QB       GLU  46  -8.958  -2.760  -1.516
  428    QG   GLU  46           QG       GLU  46 -11.214  -3.717  -1.331
  429    H    VAL  47           H        VAL  47  -8.770  -1.741   1.248
  430    HA   VAL  47           HA       VAL  47  -5.948  -1.408   1.210
  431    HB   VAL  47           HB       VAL  47  -7.625  -0.340   3.462
  432   1HG1  VAL  47          3HG1      VAL  47  -5.313   0.530   1.762
  433   2HG1  VAL  47          2HG1      VAL  47  -6.280   1.731   2.620
  434   3HG1  VAL  47          1HG1      VAL  47  -5.439   0.468   3.520
  435   1HG2  VAL  47          2HG2      VAL  47  -8.201  -0.057   0.601
  436   2HG2  VAL  47          1HG2      VAL  47  -9.184   0.405   1.990
  437   3HG2  VAL  47          3HG2      VAL  47  -7.931   1.496   1.394
  438    QG1  VAL  47           QG1      VAL  47  -5.678   0.910   2.634
  439    QG2  VAL  47           QG2      VAL  47  -8.439   0.615   1.328
  440    QQG  VAL  47           QQG      VAL  47  -7.058   0.762   1.981
  441    H    GLU  48           H        GLU  48  -8.185  -2.877   3.551
  442    HA   GLU  48           HA       GLU  48  -6.159  -3.540   5.475
  443   1HB   GLU  48          2HB       GLU  48  -9.011  -3.642   5.133
  444   2HB   GLU  48          1HB       GLU  48  -8.431  -5.198   5.684
  445   1HG   GLU  48          2HG       GLU  48  -6.981  -3.490   7.250
  446   2HG   GLU  48          1HG       GLU  48  -8.499  -2.614   7.074
  447    QB   GLU  48           QB       GLU  48  -8.721  -4.420   5.408
  448    QG   GLU  48           QG       GLU  48  -7.740  -3.052   7.162
  449    H    GLU  49           H        GLU  49  -8.005  -5.384   3.012
  450    HA   GLU  49           HA       GLU  49  -6.847  -7.916   3.451
  451   1HB   GLU  49          2HB       GLU  49  -7.980  -6.547   1.028
  452   2HB   GLU  49          1HB       GLU  49  -7.190  -8.112   0.844
  453   1HG   GLU  49          2HG       GLU  49  -8.704  -9.144   2.413
  454   2HG   GLU  49          1HG       GLU  49  -9.394  -7.580   2.851
  455    QB   GLU  49           QB       GLU  49  -7.585  -7.329   0.936
  456    QG   GLU  49           QG       GLU  49  -9.049  -8.362   2.632
  457    H    ALA  50           H        ALA  50  -5.758  -5.407   1.131
  458    HA   ALA  50           HA       ALA  50  -3.347  -6.778   0.404
  459   1HB   ALA  50          1HB       ALA  50  -4.616  -4.527  -0.492
  460   2HB   ALA  50          3HB       ALA  50  -3.265  -3.819   0.392
  461   3HB   ALA  50          2HB       ALA  50  -2.961  -4.957  -0.921
  462    QB   ALA  50           QB       ALA  50  -3.614  -4.434  -0.340
  463    H    MET  51           H        MET  51  -4.273  -5.049   3.220
  464    HA   MET  51           HA       MET  51  -1.580  -4.297   4.055
  465   1HB   MET  51          2HB       MET  51  -3.736  -3.164   4.799
  466   2HB   MET  51          1HB       MET  51  -4.040  -4.583   5.799
  467   1HG   MET  51          2HG       MET  51  -1.972  -4.225   7.026
  468   2HG   MET  51          1HG       MET  51  -1.528  -2.894   5.956
  469   1HE   MET  51          2HE       MET  51  -2.285  -0.990   5.694
  470   2HE   MET  51          1HE       MET  51  -3.904  -0.411   6.078
  471   3HE   MET  51          3HE       MET  51  -2.544  -0.007   7.134
  472    QB   MET  51           QB       MET  51  -3.888  -3.874   5.299
  473    QG   MET  51           QG       MET  51  -1.750  -3.560   6.491
  474    QE   MET  51           QE       MET  51  -2.911  -0.470   6.302
  475    H    ASP  52           H        ASP  52  -3.492  -7.159   4.134
  476    HA   ASP  52           HA       ASP  52  -1.738  -8.344   6.238
  477   1HB   ASP  52          2HB       ASP  52  -4.310  -8.479   6.364
  478   2HB   ASP  52          1HB       ASP  52  -4.189  -9.633   5.035
  479    QB   ASP  52           QB       ASP  52  -4.249  -9.056   5.699
  480    H    THR  53           H        THR  53  -2.517  -8.449   2.847
  481    HA   THR  53           HA       THR  53  -1.533 -11.055   2.227
  482    HB   THR  53           HB       THR  53  -1.082  -8.822   0.295
  483    HG1  THR  53          1HG       THR  53  -3.451  -9.059  -0.094
  484   1HG2  THR  53          3HG2      THR  53  -1.111 -11.556   0.135
  485   2HG2  THR  53          2HG2      THR  53  -2.753 -11.157  -0.369
  486   3HG2  THR  53          1HG2      THR  53  -1.375 -10.476  -1.232
  487    QG2  THR  53           QG2      THR  53  -1.747 -11.063  -0.489
  488    H    CYS  54           H        CYS  54   0.145  -7.889   2.224
  489    HA   CYS  54           HA       CYS  54   2.670  -8.705   1.359
  490   1HB   CYS  54          1HB       CYS  54   1.810  -6.357   2.172
  491   2HB   CYS  54          2HB       CYS  54   2.457  -6.868   3.727
  492    QB   CYS  54           QB       CYS  54   2.134  -6.613   2.950
  493    HA   PRO  55           HA       PRO  55   4.050 -11.519   4.423
  494   1HB   PRO  55          2HB       PRO  55   6.735 -11.356   4.029
  495   2HB   PRO  55          1HB       PRO  55   5.647 -12.196   2.924
  496   1HG   PRO  55          2HG       PRO  55   6.886  -9.497   2.652
  497   2HG   PRO  55          1HG       PRO  55   6.526 -10.699   1.402
  498   1HD   PRO  55          2HD       PRO  55   5.001  -8.456   1.885
  499   2HD   PRO  55          1HD       PRO  55   4.398  -9.931   1.102
  500    QB   PRO  55           QB       PRO  55   6.191 -11.776   3.476
  501    QG   PRO  55           QG       PRO  55   6.706 -10.098   2.027
  502    QD   PRO  55           QD       PRO  55   4.699  -9.193   1.494
  503    H    VAL  56           H        VAL  56   6.419  -8.817   4.307
  504    HA   VAL  56           HA       VAL  56   6.628  -8.827   7.222
  505    HB   VAL  56           HB       VAL  56   7.725  -6.813   5.236
  506   1HG1  VAL  56          3HG1      VAL  56   8.005  -7.295   8.161
  507   2HG1  VAL  56          2HG1      VAL  56   9.477  -6.879   7.284
  508   3HG1  VAL  56          1HG1      VAL  56   8.095  -5.784   7.258
  509   1HG2  VAL  56          3HG2      VAL  56   8.341  -9.346   4.995
  510   2HG2  VAL  56          2HG2      VAL  56   9.639  -8.153   5.009
  511   3HG2  VAL  56          1HG2      VAL  56   9.279  -9.081   6.465
  512    QG1  VAL  56           QG1      VAL  56   8.525  -6.653   7.568
  513    QG2  VAL  56           QG2      VAL  56   9.086  -8.860   5.490
  514    QQG  VAL  56           QQG      VAL  56   8.806  -7.756   6.529
  515    H    GLN  57           H        GLN  57   4.814  -7.110   4.800
  516    HA   GLN  57           HA       GLN  57   3.058  -5.570   5.037
  517   1HB   GLN  57          2HB       GLN  57   3.255  -6.910   7.615
  518   2HB   GLN  57          1HB       GLN  57   2.736  -5.235   7.800
  519   1HG   GLN  57          2HG       GLN  57   0.701  -5.695   6.953
  520   2HG   GLN  57          1HG       GLN  57   1.405  -6.493   5.547
  521   1HE2  GLN  57          2HE2      GLN  57   1.436  -9.745   7.192
  522   2HE2  GLN  57          1HE2      GLN  57   2.418  -8.788   6.194
  523    QB   GLN  57           QB       GLN  57   2.996  -6.072   7.708
  524    QG   GLN  57           QG       GLN  57   1.053  -6.094   6.250
  525    QE2  GLN  57           QE2      GLN  57   1.927  -9.266   6.693
  526    H    CYS  58           H        CYS  58   4.941  -4.107   4.327
  527    HA   CYS  58           HA       CYS  58   5.978  -2.349   6.466
  528   1HB   CYS  58          2HB       CYS  58   7.125  -3.209   4.164
  529   2HB   CYS  58          1HB       CYS  58   6.451  -1.677   3.611
  530    HG   CYS  58           HG       CYS  58   8.646  -1.984   5.786
  531    QB   CYS  58           QB       CYS  58   6.788  -2.443   3.888
  532    H    ILE  59           H        ILE  59   3.067  -2.496   5.529
  533    HA   ILE  59           HA       ILE  59   2.748   0.348   4.678
  534    HB   ILE  59           HB       ILE  59   1.740  -1.536   3.285
  535   1HG1  ILE  59          2HG1      ILE  59   0.979   0.877   3.279
  536   2HG1  ILE  59          1HG1      ILE  59  -0.265  -0.283   2.817
  537   1HG2  ILE  59          2HG2      ILE  59  -0.046  -1.703   5.727
  538   2HG2  ILE  59          1HG2      ILE  59  -0.413  -2.446   4.171
  539   3HG2  ILE  59          3HG2      ILE  59   0.992  -2.979   5.092
  540   1HD1  ILE  59          3HD1      ILE  59  -0.535  -0.140   5.576
  541   2HD1  ILE  59          2HD1      ILE  59  -0.169   1.520   5.118
  542   3HD1  ILE  59          1HD1      ILE  59  -1.549   0.694   4.402
  543    QG1  ILE  59           QG1      ILE  59   0.357   0.297   3.048
  544    QG2  ILE  59           QG2      ILE  59   0.178  -2.376   4.997
  545    QD1  ILE  59           QD1      ILE  59  -0.751   0.692   5.032
  546    H    HIS  60           H        HIS  60   1.551   1.749   5.973
  547    HA   HIS  60           HA       HIS  60   0.192   0.632   8.369
  548   1HB   HIS  60          2HB       HIS  60   1.996   3.023   8.672
  549   2HB   HIS  60          1HB       HIS  60   1.388   1.931   9.915
  550    HD1  HIS  60          1HD       HIS  60   3.719   1.824   6.900
  551    HD2  HIS  60          2HD       HIS  60   3.160  -0.097  10.558
  552    HE1  HIS  60          1HE       HIS  60   5.657   0.215   7.168
  553    QB   HIS  60           QB       HIS  60   1.692   2.477   9.294
  554    H    TRP  61           H        TRP  61  -0.757   2.779   9.592
  555    HA   TRP  61           HA       TRP  61  -2.306   4.160   7.465
  556   1HB   TRP  61          2HB       TRP  61  -2.793   4.102  10.454
  557   2HB   TRP  61          1HB       TRP  61  -3.890   4.719   9.225
  558    HD1  TRP  61           HD       TRP  61  -2.146   1.387  10.150
  559    HE1  TRP  61          1HE       TRP  61  -3.714  -0.540   9.453
  560    HE3  TRP  61          3HE       TRP  61  -5.874   4.067   7.978
  561    HZ2  TRP  61          2HZ       TRP  61  -6.241  -0.887   8.133
  562    HZ3  TRP  61          3HZ       TRP  61  -7.858   2.933   7.002
  563    HH2  TRP  61           HH       TRP  61  -8.044   0.459   7.080
  564    QB   TRP  61           QB       TRP  61  -3.341   4.410   9.840
  565    H    GLU  62           H        GLU  62  -2.993   6.513   8.367
  566    HA   GLU  62           HA       GLU  62  -0.680   7.899   9.573
  567   1HB   GLU  62          2HB       GLU  62  -0.006   7.983   7.282
  568   2HB   GLU  62          1HB       GLU  62  -1.644   8.348   6.739
  569   1HG   GLU  62          2HG       GLU  62  -0.211  10.371   6.738
  570   2HG   GLU  62          1HG       GLU  62  -1.552  10.527   7.873
  571    QB   GLU  62           QB       GLU  62  -0.825   8.165   7.011
  572    QG   GLU  62           QG       GLU  62  -0.882  10.449   7.305
  573    H    ASP  63           H        ASP  63  -2.008   8.629  11.252
  574    HA   ASP  63           HA       ASP  63  -4.360  10.292  10.447
  575   1HB   ASP  63          2HB       ASP  63  -5.090   9.959  12.840
  576   2HB   ASP  63          1HB       ASP  63  -5.038   8.474  11.890
  577    QB   ASP  63           QB       ASP  63  -5.064   9.216  12.365
  578    H    GLU  64           H        GLU  64  -1.285  10.818  10.893
  579    HA   GLU  64           HA       GLU  64  -0.020  12.649  11.632
  580   1HB   GLU  64          2HB       GLU  64  -2.651  13.646  11.063
  581   2HB   GLU  64          1HB       GLU  64  -2.032  14.467  12.496
  582   1HG   GLU  64          2HG       GLU  64  -0.587  15.670  11.258
  583   2HG   GLU  64          1HG       GLU  64   0.056  14.208  10.509
  584    QB   GLU  64           QB       GLU  64  -2.341  14.057  11.780
  585    QG   GLU  64           QG       GLU  64  -0.266  14.939  10.884
   
  No H/Q in entry =         585
  Start of MODEL   10
    1    HA   ALA   1           HA       ALA   1 -10.472  11.127   7.808
    2   1HB   ALA   1          1HB       ALA   1 -10.936  11.574  10.750
    3   2HB   ALA   1          3HB       ALA   1  -9.422  12.078   9.997
    4   3HB   ALA   1          2HB       ALA   1 -10.953  12.752   9.437
    5    QB   ALA   1           QB       ALA   1 -10.437  12.134  10.061
    6    H    ARG   2           H        ARG   2 -10.160   8.523   7.600
    7    HA   ARG   2           HA       ARG   2  -7.803   7.866   9.323
    8   1HB   ARG   2          2HB       ARG   2 -10.223   6.386   8.856
    9   2HB   ARG   2          1HB       ARG   2  -8.860   5.487   8.185
   10   1HG   ARG   2          2HG       ARG   2  -8.934   4.780  10.435
   11   2HG   ARG   2          1HG       ARG   2  -7.676   6.016  10.429
   12   1HD   ARG   2          2HD       ARG   2  -8.959   7.527  11.597
   13   2HD   ARG   2          1HD       ARG   2 -10.471   6.932  10.911
   14    HE   ARG   2           HE       ARG   2 -10.188   4.943  12.472
   15   1HH1  ARG   2          1HH1      ARG   2  -8.713   4.450  14.332
   16   2HH1  ARG   2          2HH1      ARG   2  -8.513   5.746  15.463
   17   1HH2  ARG   2          1HH2      ARG   2  -9.893   8.140  13.366
   18   2HH2  ARG   2          2HH2      ARG   2  -9.182   7.837  14.916
   19    QB   ARG   2           QB       ARG   2  -9.542   5.937   8.521
   20    QG   ARG   2           QG       ARG   2  -8.305   5.398  10.432
   21    QD   ARG   2           QD       ARG   2  -9.715   7.230  11.254
   22    QH1  ARG   2           QH1      ARG   2  -8.613   5.098  14.898
   23    QH2  ARG   2           QH2      ARG   2  -9.537   7.989  14.141
   24    H    LYS   3           H        LYS   3  -6.047   8.235   8.031
   25    HA   LYS   3           HA       LYS   3  -6.216   7.545   5.146
   26   1HB   LYS   3          2HB       LYS   3  -5.028   9.660   6.547
   27   2HB   LYS   3          1HB       LYS   3  -3.679   8.645   6.042
   28   1HG   LYS   3          2HG       LYS   3  -3.930   9.226   3.872
   29   2HG   LYS   3          1HG       LYS   3  -5.672   8.954   3.932
   30   1HD   LYS   3          2HD       LYS   3  -5.619  11.197   5.362
   31   2HD   LYS   3          1HD       LYS   3  -4.129  11.459   4.456
   32   1HE   LYS   3          2HE       LYS   3  -5.930  10.554   2.531
   33   2HE   LYS   3          1HE       LYS   3  -6.898  11.622   3.548
   34   1HZ   LYS   3          2HZ       LYS   3  -4.478  12.894   3.209
   35   2HZ   LYS   3          1HZ       LYS   3  -4.876  12.285   1.673
   36   3HZ   LYS   3          3HZ       LYS   3  -5.959  13.306   2.485
   37    QB   LYS   3           QB       LYS   3  -4.353   9.152   6.295
   38    QG   LYS   3           QG       LYS   3  -4.801   9.090   3.902
   39    QD   LYS   3           QD       LYS   3  -4.874  11.328   4.909
   40    QE   LYS   3           QE       LYS   3  -6.414  11.088   3.040
   41    QZ   LYS   3           QZ       LYS   3  -5.104  12.828   2.456
   42    H    PHE   4           H        PHE   4  -3.351   7.129   4.882
   43    HA   PHE   4           HA       PHE   4  -2.236   5.184   6.557
   44   1HB   PHE   4          2HB       PHE   4  -2.777   3.076   5.391
   45   2HB   PHE   4          1HB       PHE   4  -4.241   3.816   6.024
   46    HD1  PHE   4          1HD       PHE   4  -5.849   4.925   4.528
   47    HD2  PHE   4          2HD       PHE   4  -2.337   2.981   2.998
   48    HE1  PHE   4          1HE       PHE   4  -6.815   4.977   2.245
   49    HE2  PHE   4          2HE       PHE   4  -3.304   3.033   0.714
   50    HZ   PHE   4           HZ       PHE   4  -5.543   4.031   0.338
   51    QB   PHE   4           QB       PHE   4  -3.509   3.446   5.707
   52    QD   PHE   4           QD       PHE   4  -4.093   3.953   3.763
   53    QE   PHE   4           QE       PHE   4  -5.060   4.005   1.480
   54    QR   PHE   4           QR       PHE   4  -4.770   3.989   2.165
   55    H    TYR   5           H        TYR   5  -0.776   3.581   4.988
   56    HA   TYR   5           HA       TYR   5  -0.043   4.440   2.433
   57   1HB   TYR   5          2HB       TYR   5   1.971   5.754   2.823
   58   2HB   TYR   5          1HB       TYR   5   0.608   6.578   3.560
   59    HD1  TYR   5          1HD       TYR   5   0.285   6.531   6.028
   60    HD2  TYR   5          2HD       TYR   5   3.736   4.796   4.147
   61    HE1  TYR   5          1HE       TYR   5   1.448   6.471   8.217
   62    HE2  TYR   5          2HE       TYR   5   4.900   4.737   6.335
   63    HH   TYR   5           HH       TYR   5   3.336   6.004   9.280
   64    QB   TYR   5           QB       TYR   5   1.289   6.166   3.191
   65    QD   TYR   5           QD       TYR   5   2.010   5.663   5.087
   66    QE   TYR   5           QE       TYR   5   3.174   5.604   7.276
   67    QR   TYR   5           QR       TYR   5   2.592   5.634   6.182
   68    H    VAL   6           H        VAL   6   2.587   3.842   2.352
   69    HA   VAL   6           HA       VAL   6   2.901   1.515   4.154
   70    HB   VAL   6           HB       VAL   6   3.260   1.142   1.198
   71   1HG1  VAL   6          1HG1      VAL   6   3.364  -0.402   3.690
   72   2HG1  VAL   6          3HG1      VAL   6   2.518  -1.200   2.373
   73   3HG1  VAL   6          2HG1      VAL   6   4.190  -0.678   2.161
   74   1HG2  VAL   6          3HG2      VAL   6   0.745   1.066   2.846
   75   2HG2  VAL   6          2HG2      VAL   6   0.967   1.613   1.187
   76   3HG2  VAL   6          1HG2      VAL   6   0.953  -0.111   1.557
   77    QG1  VAL   6           QG1      VAL   6   3.357  -0.760   2.741
   78    QG2  VAL   6           QG2      VAL   6   0.888   0.856   1.863
   79    QQG  VAL   6           QQG      VAL   6   2.123   0.048   2.302
   80    H    ASP   7           H        ASP   7   5.004   0.442   3.885
   81    HA   ASP   7           HA       ASP   7   7.084   2.458   3.246
   82   1HB   ASP   7          2HB       ASP   7   6.780   1.191   5.564
   83   2HB   ASP   7          1HB       ASP   7   7.720  -0.047   4.739
   84    QB   ASP   7           QB       ASP   7   7.250   0.572   5.152
   85    H    GLN   8           H        GLN   8   6.655   1.834   1.014
   86    HA   GLN   8           HA       GLN   8   7.056  -0.713  -0.119
   87   1HB   GLN   8          2HB       GLN   8   7.443   0.410  -2.193
   88   2HB   GLN   8          1HB       GLN   8   6.331   1.440  -1.292
   89   1HG   GLN   8          2HG       GLN   8   9.340   1.810  -1.347
   90   2HG   GLN   8          1HG       GLN   8   8.204   2.723  -2.339
   91   1HE2  GLN   8          2HE2      GLN   8   6.762   4.358   0.623
   92   2HE2  GLN   8          1HE2      GLN   8   6.211   3.534  -0.755
   93    QB   GLN   8           QB       GLN   8   6.887   0.925  -1.742
   94    QG   GLN   8           QG       GLN   8   8.772   2.267  -1.843
   95    QE2  GLN   8           QE2      GLN   8   6.486   3.946  -0.066
   96    H    ASP   9           H        ASP   9   9.272   1.201   1.588
   97    HA   ASP   9           HA       ASP   9  11.716   0.504   0.241
   98   1HB   ASP   9          2HB       ASP   9  10.954   1.917   2.616
   99   2HB   ASP   9          1HB       ASP   9  12.178   0.725   3.053
  100    QB   ASP   9           QB       ASP   9  11.566   1.321   2.834
  101    H    GLU  10           H        GLU  10   9.687  -1.067   2.619
  102    HA   GLU  10           HA       GLU  10  11.598  -3.300   2.949
  103   1HB   GLU  10          2HB       GLU  10   9.882  -2.192   4.719
  104   2HB   GLU  10          1HB       GLU  10   8.832  -3.421   4.028
  105   1HG   GLU  10          2HG       GLU  10   9.798  -4.799   5.558
  106   2HG   GLU  10          1HG       GLU  10  11.128  -4.855   4.401
  107    QB   GLU  10           QB       GLU  10   9.357  -2.807   4.374
  108    QG   GLU  10           QG       GLU  10  10.463  -4.827   4.979
  109    H    CYS  11           H        CYS  11   8.933  -2.376   1.003
  110    HA   CYS  11           HA       CYS  11   7.508  -4.667   0.447
  111   1HB   CYS  11          1HB       CYS  11   6.948  -2.686  -0.762
  112   2HB   CYS  11          2HB       CYS  11   8.563  -2.572  -1.465
  113    QB   CYS  11           QB       CYS  11   7.755  -2.629  -1.113
  114    H    ILE  12           H        ILE  12   7.983  -6.673  -0.265
  115    HA   ILE  12           HA       ILE  12  10.745  -7.348  -0.941
  116    HB   ILE  12           HB       ILE  12   9.885  -9.658  -1.087
  117   1HG1  ILE  12          2HG1      ILE  12   7.156  -8.801  -0.266
  118   2HG1  ILE  12          1HG1      ILE  12   7.575  -8.564  -1.963
  119   1HG2  ILE  12          2HG2      ILE  12  10.281  -8.354   1.141
  120   2HG2  ILE  12          1HG2      ILE  12   8.523  -8.396   1.283
  121   3HG2  ILE  12          3HG2      ILE  12   9.438  -9.902   1.204
  122   1HD1  ILE  12          1HD1      ILE  12   8.366 -11.182  -0.839
  123   2HD1  ILE  12          3HD1      ILE  12   6.627 -10.912  -0.950
  124   3HD1  ILE  12          2HD1      ILE  12   7.631 -10.800  -2.396
  125    QG1  ILE  12           QG1      ILE  12   7.365  -8.683  -1.114
  126    QG2  ILE  12           QG2      ILE  12   9.414  -8.884   1.210
  127    QD1  ILE  12           QD1      ILE  12   7.541 -10.965  -1.395
  128    H    ALA  13           H        ALA  13   9.378  -9.473  -2.880
  129    HA   ALA  13           HA       ALA  13   9.385  -7.628  -5.233
  130   1HB   ALA  13          1HB       ALA  13  11.344  -9.302  -4.923
  131   2HB   ALA  13          3HB       ALA  13  10.168 -10.535  -5.378
  132   3HB   ALA  13          2HB       ALA  13  10.558  -9.231  -6.500
  133    QB   ALA  13           QB       ALA  13  10.690  -9.689  -5.601
  134    H    CYS  14           H        CYS  14   6.975  -8.195  -3.877
  135    HA   CYS  14           HA       CYS  14   5.643  -9.976  -5.876
  136   1HB   CYS  14          1HB       CYS  14   4.644 -11.169  -4.250
  137   2HB   CYS  14          2HB       CYS  14   5.767 -10.409  -3.125
  138    QB   CYS  14           QB       CYS  14   5.205 -10.789  -3.688
  139    H    GLU  15           H        GLU  15   3.428  -9.349  -6.400
  140    HA   GLU  15           HA       GLU  15   2.946  -6.438  -5.911
  141   1HB   GLU  15          2HB       GLU  15   2.533  -8.164  -8.345
  142   2HB   GLU  15          1HB       GLU  15   1.593  -6.686  -8.125
  143   1HG   GLU  15          2HG       GLU  15   3.942  -5.609  -7.629
  144   2HG   GLU  15          1HG       GLU  15   4.553  -7.006  -8.515
  145    QB   GLU  15           QB       GLU  15   2.063  -7.425  -8.235
  146    QG   GLU  15           QG       GLU  15   4.248  -6.307  -8.072
  147    H    SER  16           H        SER  16   1.972  -9.082  -4.570
  148    HA   SER  16           HA       SER  16  -0.712  -9.614  -5.010
  149   1HB   SER  16          2HB       SER  16  -0.508  -9.352  -2.209
  150   2HB   SER  16          1HB       SER  16  -0.298 -10.822  -3.155
  151    HG   SER  16           HG       SER  16   1.567 -10.437  -1.971
  152    QB   SER  16           QB       SER  16  -0.403 -10.087  -2.682
  153    H    CYS  17           H        CYS  17   0.249  -7.263  -2.490
  154    HA   CYS  17           HA       CYS  17  -2.177  -5.973  -2.146
  155   1HB   CYS  17          1HB       CYS  17  -0.986  -4.158  -1.239
  156   2HB   CYS  17          2HB       CYS  17   0.147  -5.499  -1.063
  157    QB   CYS  17           QB       CYS  17  -0.419  -4.829  -1.151
  158    H    VAL  18           H        VAL  18   0.305  -5.082  -4.564
  159    HA   VAL  18           HA       VAL  18  -1.040  -2.980  -5.823
  160    HB   VAL  18           HB       VAL  18   0.565  -5.143  -7.222
  161   1HG1  VAL  18          3HG1      VAL  18  -0.744  -3.510  -8.646
  162   2HG1  VAL  18          2HG1      VAL  18   0.212  -2.216  -7.922
  163   3HG1  VAL  18          1HG1      VAL  18   1.002  -3.459  -8.891
  164   1HG2  VAL  18          2HG2      VAL  18   1.296  -3.012  -5.321
  165   2HG2  VAL  18          1HG2      VAL  18   2.205  -4.441  -5.811
  166   3HG2  VAL  18          3HG2      VAL  18   2.234  -2.992  -6.815
  167    QG1  VAL  18           QG1      VAL  18   0.157  -3.062  -8.486
  168    QG2  VAL  18           QG2      VAL  18   1.912  -3.482  -5.982
  169    QQG  VAL  18           QQG      VAL  18   1.034  -3.272  -7.234
  170    H    GLU  19           H        GLU  19  -1.611  -6.457  -6.125
  171    HA   GLU  19           HA       GLU  19  -3.555  -6.050  -8.290
  172   1HB   GLU  19          2HB       GLU  19  -2.384  -8.395  -6.865
  173   2HB   GLU  19          1HB       GLU  19  -3.983  -8.604  -7.578
  174   1HG   GLU  19          2HG       GLU  19  -3.024  -7.644  -9.729
  175   2HG   GLU  19          1HG       GLU  19  -1.431  -7.787  -8.985
  176    QB   GLU  19           QB       GLU  19  -3.184  -8.499  -7.222
  177    QG   GLU  19           QG       GLU  19  -2.228  -7.716  -9.357
  178    H    ILE  20           H        ILE  20  -3.553  -6.492  -4.814
  179    HA   ILE  20           HA       ILE  20  -6.466  -6.828  -4.706
  180    HB   ILE  20           HB       ILE  20  -4.442  -6.313  -2.529
  181   1HG1  ILE  20          2HG1      ILE  20  -5.600  -8.810  -2.321
  182   2HG1  ILE  20          1HG1      ILE  20  -5.148  -8.612  -4.000
  183   1HG2  ILE  20          3HG2      ILE  20  -7.398  -6.785  -2.507
  184   2HG2  ILE  20          2HG2      ILE  20  -6.407  -7.310  -1.147
  185   3HG2  ILE  20          1HG2      ILE  20  -6.469  -5.603  -1.586
  186   1HD1  ILE  20          1HD1      ILE  20  -3.076  -7.602  -2.261
  187   2HD1  ILE  20          3HD1      ILE  20  -3.442  -9.282  -1.879
  188   3HD1  ILE  20          2HD1      ILE  20  -2.964  -8.837  -3.514
  189    QG1  ILE  20           QG1      ILE  20  -5.374  -8.711  -3.160
  190    QG2  ILE  20           QG2      ILE  20  -6.758  -6.566  -1.746
  191    QD1  ILE  20           QD1      ILE  20  -3.161  -8.574  -2.552
  192    H    ALA  21           H        ALA  21  -4.714  -4.305  -5.655
  193    HA   ALA  21           HA       ALA  21  -6.753  -2.361  -5.004
  194   1HB   ALA  21          3HB       ALA  21  -5.267  -2.608  -2.862
  195   2HB   ALA  21          2HB       ALA  21  -4.075  -1.701  -3.793
  196   3HB   ALA  21          1HB       ALA  21  -5.652  -0.990  -3.448
  197    QB   ALA  21           QB       ALA  21  -4.998  -1.766  -3.368
  198    HA   PRO  22           HA       PRO  22  -3.963  -1.636  -8.644
  199   1HB   PRO  22          2HB       PRO  22  -5.927  -1.647 -10.524
  200   2HB   PRO  22          1HB       PRO  22  -5.079  -3.104 -10.009
  201   1HG   PRO  22          2HG       PRO  22  -7.779  -2.118  -9.200
  202   2HG   PRO  22          1HG       PRO  22  -7.235  -3.778  -9.493
  203   1HD   PRO  22          2HD       PRO  22  -7.556  -2.711  -6.995
  204   2HD   PRO  22          1HD       PRO  22  -6.418  -4.024  -7.366
  205    QB   PRO  22           QB       PRO  22  -5.503  -2.376 -10.266
  206    QG   PRO  22           QG       PRO  22  -7.507  -2.948  -9.347
  207    QD   PRO  22           QD       PRO  22  -6.987  -3.367  -7.181
  208    H    GLY  23           H        GLY  23  -3.983   0.447  -7.351
  209   1HA   GLY  23          2HA       GLY  23  -4.627   2.695  -8.839
  210   2HA   GLY  23          1HA       GLY  23  -6.063   2.411  -7.850
  211    QA   GLY  23           QA       GLY  23  -5.345   2.553  -8.345
  212    H    ALA  24           H        ALA  24  -4.844   1.404  -5.534
  213    HA   ALA  24           HA       ALA  24  -3.656   3.897  -4.466
  214   1HB   ALA  24          2HB       ALA  24  -5.558   2.717  -3.288
  215   2HB   ALA  24          1HB       ALA  24  -4.446   1.388  -2.960
  216   3HB   ALA  24          3HB       ALA  24  -4.136   2.986  -2.281
  217    QB   ALA  24           QB       ALA  24  -4.713   2.364  -2.843
  218    H    PHE  25           H        PHE  25  -2.956   0.387  -4.517
  219    HA   PHE  25           HA       PHE  25  -0.155   0.993  -3.723
  220   1HB   PHE  25          2HB       PHE  25  -1.913  -1.158  -3.196
  221   2HB   PHE  25          1HB       PHE  25  -0.673  -1.803  -4.269
  222    HD1  PHE  25          1HD       PHE  25  -1.292  -2.076  -1.091
  223    HD2  PHE  25          2HD       PHE  25   1.639  -0.058  -3.497
  224    HE1  PHE  25          1HE       PHE  25   0.318  -2.165   0.795
  225    HE2  PHE  25          2HE       PHE  25   3.243  -0.148  -1.606
  226    HZ   PHE  25           HZ       PHE  25   2.587  -1.200   0.529
  227    QB   PHE  25           QB       PHE  25  -1.293  -1.480  -3.733
  228    QD   PHE  25           QD       PHE  25   0.173  -1.067  -2.294
  229    QE   PHE  25           QE       PHE  25   1.780  -1.156  -0.406
  230    QR   PHE  25           QR       PHE  25   1.299  -1.129  -0.974
  231    H    ALA  26           H        ALA  26   1.544   0.755  -5.180
  232    HA   ALA  26           HA       ALA  26   1.389  -0.789  -7.594
  233   1HB   ALA  26          1HB       ALA  26   0.818   2.172  -7.799
  234   2HB   ALA  26          3HB       ALA  26   1.460   1.247  -9.156
  235   3HB   ALA  26          2HB       ALA  26  -0.113   0.835  -8.473
  236    QB   ALA  26           QB       ALA  26   0.722   1.418  -8.476
  237    H    MET  27           H        MET  27   3.483  -1.239  -8.062
  238    HA   MET  27           HA       MET  27   5.666  -0.071  -6.696
  239   1HB   MET  27          2HB       MET  27   5.435  -1.772  -9.159
  240   2HB   MET  27          1HB       MET  27   7.003  -1.116  -8.686
  241   1HG   MET  27          2HG       MET  27   7.049  -2.321  -6.679
  242   2HG   MET  27          1HG       MET  27   5.299  -2.532  -6.653
  243   1HE   MET  27          3HE       MET  27   8.563  -3.262  -7.725
  244   2HE   MET  27          2HE       MET  27   8.584  -4.993  -8.056
  245   3HE   MET  27          1HE       MET  27   8.373  -3.852  -9.382
  246    QB   MET  27           QB       MET  27   6.219  -1.444  -8.922
  247    QG   MET  27           QG       MET  27   6.174  -2.426  -6.666
  248    QE   MET  27           QE       MET  27   8.507  -4.036  -8.388
  249    H    ASP  28           H        ASP  28   7.330   1.466  -7.422
  250    HA   ASP  28           HA       ASP  28   6.426   3.021  -9.824
  251   1HB   ASP  28          2HB       ASP  28   6.240   3.903  -7.211
  252   2HB   ASP  28          1HB       ASP  28   7.816   4.509  -7.711
  253    QB   ASP  28           QB       ASP  28   7.028   4.206  -7.461
  254    HA   PRO  29           HA       PRO  29  10.704   2.649 -10.776
  255   1HB   PRO  29          2HB       PRO  29  11.122   4.835 -12.336
  256   2HB   PRO  29          1HB       PRO  29  10.188   3.443 -12.878
  257   1HG   PRO  29          2HG       PRO  29   9.243   6.117 -12.069
  258   2HG   PRO  29          1HG       PRO  29   8.462   4.919 -13.109
  259   1HD   PRO  29          2HD       PRO  29   7.877   5.484 -10.390
  260   2HD   PRO  29          1HD       PRO  29   7.197   4.189 -11.383
  261    QB   PRO  29           QB       PRO  29  10.655   4.139 -12.607
  262    QG   PRO  29           QG       PRO  29   8.852   5.518 -12.589
  263    QD   PRO  29           QD       PRO  29   7.537   4.836 -10.886
  264    H    GLU  30           H        GLU  30   9.413   5.340  -9.124
  265    HA   GLU  30           HA       GLU  30  12.001   6.569  -8.442
  266   1HB   GLU  30          2HB       GLU  30   9.570   7.672  -8.581
  267   2HB   GLU  30          1HB       GLU  30   9.486   7.127  -6.906
  268   1HG   GLU  30          2HG       GLU  30  11.754   8.260  -6.571
  269   2HG   GLU  30          1HG       GLU  30  11.493   9.021  -8.141
  270    QB   GLU  30           QB       GLU  30   9.528   7.400  -7.744
  271    QG   GLU  30           QG       GLU  30  11.623   8.640  -7.356
  272    H    ILE  31           H        ILE  31   9.485   4.565  -6.964
  273    HA   ILE  31           HA       ILE  31  11.295   4.023  -4.696
  274    HB   ILE  31           HB       ILE  31   9.058   2.715  -3.986
  275   1HG1  ILE  31          2HG1      ILE  31   8.020   3.592  -6.159
  276   2HG1  ILE  31          1HG1      ILE  31   7.094   3.849  -4.684
  277   1HG2  ILE  31          1HG2      ILE  31   9.591   5.679  -3.630
  278   2HG2  ILE  31          3HG2      ILE  31   8.512   4.711  -2.626
  279   3HG2  ILE  31          2HG2      ILE  31  10.245   4.382  -2.630
  280   1HD1  ILE  31          2HD1      ILE  31   9.019   5.999  -5.335
  281   2HD1  ILE  31          1HD1      ILE  31   7.676   5.837  -6.464
  282   3HD1  ILE  31          3HD1      ILE  31   7.358   6.112  -4.754
  283    QG1  ILE  31           QG1      ILE  31   7.557   3.721  -5.421
  284    QG2  ILE  31           QG2      ILE  31   9.449   4.924  -2.962
  285    QD1  ILE  31           QD1      ILE  31   8.018   5.983  -5.517
  286    H    GLU  32           H        GLU  32  10.665   2.842  -7.658
  287    HA   GLU  32           HA       GLU  32  10.623   0.669  -8.599
  288   1HB   GLU  32          2HB       GLU  32  12.965   0.542  -6.666
  289   2HB   GLU  32          1HB       GLU  32  12.711  -0.564  -8.016
  290   1HG   GLU  32          2HG       GLU  32  12.523   2.196  -8.894
  291   2HG   GLU  32          1HG       GLU  32  14.068   1.891  -8.098
  292    QB   GLU  32           QB       GLU  32  12.838  -0.011  -7.341
  293    QG   GLU  32           QG       GLU  32  13.295   2.044  -8.496
  294    H    LYS  33           H        LYS  33   8.883   1.020  -6.369
  295    HA   LYS  33           HA       LYS  33   8.516  -1.807  -5.616
  296   1HB   LYS  33          2HB       LYS  33   9.353   0.231  -3.536
  297   2HB   LYS  33          1HB       LYS  33   8.601  -1.312  -3.137
  298   1HG   LYS  33          2HG       LYS  33  10.462  -2.416  -4.497
  299   2HG   LYS  33          1HG       LYS  33  11.261  -0.844  -4.492
  300   1HD   LYS  33          2HD       LYS  33  11.285  -0.822  -2.047
  301   2HD   LYS  33          1HD       LYS  33  10.401  -2.347  -2.004
  302   1HE   LYS  33          2HE       LYS  33  12.761  -2.817  -1.674
  303   2HE   LYS  33          1HE       LYS  33  12.290  -3.410  -3.267
  304   1HZ   LYS  33          1HZ       LYS  33  13.135  -1.345  -4.225
  305   2HZ   LYS  33          3HZ       LYS  33  13.634  -0.827  -2.689
  306   3HZ   LYS  33          2HZ       LYS  33  14.353  -2.194  -3.397
  307    QB   LYS  33           QB       LYS  33   8.977  -0.541  -3.336
  308    QG   LYS  33           QG       LYS  33  10.862  -1.630  -4.495
  309    QD   LYS  33           QD       LYS  33  10.843  -1.584  -2.026
  310    QE   LYS  33           QE       LYS  33  12.525  -3.114  -2.470
  311    QZ   LYS  33           QZ       LYS  33  13.707  -1.455  -3.437
  312    H    ALA  34           H        ALA  34   6.450  -2.183  -4.681
  313    HA   ALA  34           HA       ALA  34   4.366  -0.430  -5.483
  314   1HB   ALA  34          2HB       ALA  34   4.025  -2.834  -5.043
  315   2HB   ALA  34          1HB       ALA  34   4.308  -2.558  -3.324
  316   3HB   ALA  34          3HB       ALA  34   2.896  -1.852  -4.109
  317    QB   ALA  34           QB       ALA  34   3.743  -2.415  -4.159
  318    H    TYR  35           H        TYR  35   3.245   1.183  -4.427
  319    HA   TYR  35           HA       TYR  35   3.645   1.659  -1.551
  320   1HB   TYR  35          2HB       TYR  35   4.594   3.851  -1.744
  321   2HB   TYR  35          1HB       TYR  35   5.575   2.816  -2.780
  322    HD1  TYR  35          1HD       TYR  35   4.320   2.488  -5.219
  323    HD2  TYR  35          2HD       TYR  35   4.144   5.937  -2.681
  324    HE1  TYR  35          1HE       TYR  35   3.738   3.893  -7.182
  325    HE2  TYR  35          2HE       TYR  35   3.569   7.349  -4.637
  326    HH   TYR  35           HH       TYR  35   2.793   7.256  -6.804
  327    QB   TYR  35           QB       TYR  35   5.085   3.333  -2.262
  328    QD   TYR  35           QD       TYR  35   4.232   4.213  -3.950
  329    QE   TYR  35           QE       TYR  35   3.653   5.621  -5.909
  330    QR   TYR  35           QR       TYR  35   3.943   4.917  -4.930
  331    H    VAL  36           H        VAL  36   2.041   3.244  -0.746
  332    HA   VAL  36           HA       VAL  36  -0.456   3.083  -2.177
  333    HB   VAL  36           HB       VAL  36  -0.318   3.306   0.301
  334   1HG1  VAL  36          3HG1      VAL  36   1.162   5.709  -0.466
  335   2HG1  VAL  36          2HG1      VAL  36  -0.115   6.044   0.703
  336   3HG1  VAL  36          1HG1      VAL  36   1.133   4.855   1.074
  337   1HG2  VAL  36          1HG2      VAL  36  -2.348   3.991  -1.060
  338   2HG2  VAL  36          3HG2      VAL  36  -2.219   4.765   0.519
  339   3HG2  VAL  36          2HG2      VAL  36  -1.776   5.654  -0.938
  340    QG1  VAL  36           QG1      VAL  36   0.727   5.536   0.437
  341    QG2  VAL  36           QG2      VAL  36  -2.114   4.804  -0.493
  342    QQG  VAL  36           QQG      VAL  36  -0.694   5.170  -0.028
  343    H    LYS  37           H        LYS  37   0.705   3.966  -4.196
  344    HA   LYS  37           HA       LYS  37   1.488   6.623  -4.561
  345   1HB   LYS  37          2HB       LYS  37   1.006   6.317  -6.897
  346   2HB   LYS  37          1HB       LYS  37   1.529   4.753  -6.275
  347   1HG   LYS  37          2HG       LYS  37  -0.463   3.799  -6.718
  348   2HG   LYS  37          1HG       LYS  37  -1.352   5.133  -5.985
  349   1HD   LYS  37          2HD       LYS  37  -1.618   6.229  -7.975
  350   2HD   LYS  37          1HD       LYS  37  -0.042   5.718  -8.582
  351   1HE   LYS  37          2HE       LYS  37  -0.876   3.814  -9.521
  352   2HE   LYS  37          1HE       LYS  37  -2.009   3.540  -8.198
  353   1HZ   LYS  37          1HZ       LYS  37  -2.471   5.831  -9.958
  354   2HZ   LYS  37          3HZ       LYS  37  -2.826   4.286 -10.561
  355   3HZ   LYS  37          2HZ       LYS  37  -3.590   4.843  -9.149
  356    QB   LYS  37           QB       LYS  37   1.268   5.535  -6.586
  357    QG   LYS  37           QG       LYS  37  -0.907   4.466  -6.352
  358    QD   LYS  37           QD       LYS  37  -0.830   5.973  -8.278
  359    QE   LYS  37           QE       LYS  37  -1.443   3.677  -8.860
  360    QZ   LYS  37           QZ       LYS  37  -2.962   4.987  -9.889
  361    H    ASP  38           H        ASP  38  -1.670   5.441  -3.839
  362    HA   ASP  38           HA       ASP  38  -2.685   8.154  -3.662
  363   1HB   ASP  38          2HB       ASP  38  -2.860   7.930  -6.054
  364   2HB   ASP  38          1HB       ASP  38  -3.595   6.336  -5.902
  365    QB   ASP  38           QB       ASP  38  -3.228   7.133  -5.978
  366    H    VAL  39           H        VAL  39  -3.514   7.737  -1.639
  367    HA   VAL  39           HA       VAL  39  -4.646   5.317  -0.739
  368    HB   VAL  39           HB       VAL  39  -5.374   6.501   1.156
  369   1HG1  VAL  39          2HG1      VAL  39  -2.891   6.816   0.468
  370   2HG1  VAL  39          1HG1      VAL  39  -3.359   8.476   0.103
  371   3HG1  VAL  39          3HG1      VAL  39  -3.540   7.849   1.741
  372   1HG2  VAL  39          2HG2      VAL  39  -6.150   8.501  -0.846
  373   2HG2  VAL  39          1HG2      VAL  39  -6.845   8.180   0.743
  374   3HG2  VAL  39          3HG2      VAL  39  -5.430   9.223   0.593
  375    QG1  VAL  39           QG1      VAL  39  -3.263   7.714   0.771
  376    QG2  VAL  39           QG2      VAL  39  -6.141   8.635   0.163
  377    QQG  VAL  39           QQG      VAL  39  -4.702   8.174   0.467
  378    H    GLU  40           H        GLU  40  -6.025   7.789  -2.774
  379    HA   GLU  40           HA       GLU  40  -8.763   6.735  -2.399
  380   1HB   GLU  40          2HB       GLU  40  -7.602   9.000  -4.032
  381   2HB   GLU  40          1HB       GLU  40  -9.282   8.489  -4.196
  382   1HG   GLU  40          2HG       GLU  40  -8.038   9.228  -1.537
  383   2HG   GLU  40          1HG       GLU  40  -8.897  10.386  -2.554
  384    QB   GLU  40           QB       GLU  40  -8.442   8.745  -4.114
  385    QG   GLU  40           QG       GLU  40  -8.467   9.807  -2.046
  386    H    GLY  41           H        GLY  41  -6.105   5.780  -4.119
  387   1HA   GLY  41          2HA       GLY  41  -7.364   5.203  -6.681
  388   2HA   GLY  41          1HA       GLY  41  -5.806   4.585  -6.133
  389    QA   GLY  41           QA       GLY  41  -6.585   4.894  -6.407
  390    H    ALA  42           H        ALA  42  -7.414   3.736  -3.580
  391    HA   ALA  42           HA       ALA  42  -8.871   1.419  -4.740
  392   1HB   ALA  42          1HB       ALA  42  -6.571   1.233  -2.772
  393   2HB   ALA  42          3HB       ALA  42  -7.679  -0.096  -3.117
  394   3HB   ALA  42          2HB       ALA  42  -6.640   0.541  -4.393
  395    QB   ALA  42           QB       ALA  42  -6.963   0.559  -3.427
  396    H    SER  43           H        SER  43 -10.199   0.312  -3.055
  397    HA   SER  43           HA       SER  43 -11.316   2.305  -1.202
  398   1HB   SER  43          2HB       SER  43 -12.551  -0.226  -0.839
  399   2HB   SER  43          1HB       SER  43 -13.198   1.175  -1.686
  400    HG   SER  43           HG       SER  43 -12.531   0.365  -3.565
  401    QB   SER  43           QB       SER  43 -12.874   0.474  -1.263
  402    H    GLN  44           H        GLN  44 -11.948   1.350   1.061
  403    HA   GLN  44           HA       GLN  44  -9.487   0.694   2.424
  404   1HB   GLN  44          2HB       GLN  44 -12.236   1.361   3.155
  405   2HB   GLN  44          1HB       GLN  44 -11.559   0.107   4.194
  406   1HG   GLN  44          2HG       GLN  44 -10.009   1.512   5.110
  407   2HG   GLN  44          1HG       GLN  44  -9.752   2.377   3.594
  408   1HE2  GLN  44          2HE2      GLN  44 -12.958   3.537   5.912
  409   2HE2  GLN  44          1HE2      GLN  44 -12.481   1.908   5.926
  410    QB   GLN  44           QB       GLN  44 -11.898   0.734   3.674
  411    QG   GLN  44           QG       GLN  44  -9.880   1.944   4.352
  412    QE2  GLN  44           QE2      GLN  44 -12.720   2.723   5.919
  413    H    GLU  45           H        GLU  45 -12.348  -1.173   1.446
  414    HA   GLU  45           HA       GLU  45 -11.564  -3.604   2.780
  415   1HB   GLU  45          2HB       GLU  45 -13.286  -3.212   0.308
  416   2HB   GLU  45          1HB       GLU  45 -13.180  -4.698   1.253
  417   1HG   GLU  45          2HG       GLU  45 -13.852  -2.143   2.667
  418   2HG   GLU  45          1HG       GLU  45 -15.109  -2.946   1.726
  419    QB   GLU  45           QB       GLU  45 -13.233  -3.955   0.781
  420    QG   GLU  45           QG       GLU  45 -14.481  -2.545   2.196
  421    H    GLU  46           H        GLU  46 -10.522  -2.013  -0.098
  422    HA   GLU  46           HA       GLU  46  -9.216  -4.440  -1.192
  423   1HB   GLU  46          2HB       GLU  46  -9.030  -1.559  -2.135
  424   2HB   GLU  46          1HB       GLU  46  -8.567  -2.999  -3.036
  425   1HG   GLU  46          2HG       GLU  46 -10.992  -3.759  -2.823
  426   2HG   GLU  46          1HG       GLU  46 -11.348  -2.135  -2.232
  427    QB   GLU  46           QB       GLU  46  -8.799  -2.279  -2.585
  428    QG   GLU  46           QG       GLU  46 -11.170  -2.947  -2.528
  429    H    VAL  47           H        VAL  47  -8.516  -1.314   0.199
  430    HA   VAL  47           HA       VAL  47  -5.683  -1.448   0.222
  431    HB   VAL  47           HB       VAL  47  -7.750  -0.036   1.902
  432   1HG1  VAL  47          3HG1      VAL  47  -4.833  -0.384   2.473
  433   2HG1  VAL  47          2HG1      VAL  47  -5.588   1.175   2.811
  434   3HG1  VAL  47          1HG1      VAL  47  -6.191  -0.285   3.595
  435   1HG2  VAL  47          2HG2      VAL  47  -6.790   0.584  -0.500
  436   2HG2  VAL  47          1HG2      VAL  47  -7.114   1.838   0.697
  437   3HG2  VAL  47          3HG2      VAL  47  -5.468   1.255   0.455
  438    QG1  VAL  47           QG1      VAL  47  -5.537   0.169   2.960
  439    QG2  VAL  47           QG2      VAL  47  -6.457   1.225   0.217
  440    QQG  VAL  47           QQG      VAL  47  -5.997   0.697   1.589
  441    H    GLU  48           H        GLU  48  -8.157  -2.710   2.436
  442    HA   GLU  48           HA       GLU  48  -6.365  -3.664   4.441
  443   1HB   GLU  48          2HB       GLU  48  -9.164  -3.531   3.868
  444   2HB   GLU  48          1HB       GLU  48  -8.758  -5.174   4.311
  445   1HG   GLU  48          2HG       GLU  48  -7.320  -3.732   6.141
  446   2HG   GLU  48          1HG       GLU  48  -8.758  -2.736   5.935
  447    QB   GLU  48           QB       GLU  48  -8.961  -4.353   4.089
  448    QG   GLU  48           QG       GLU  48  -8.039  -3.234   6.038
  449    H    GLU  49           H        GLU  49  -8.385  -5.548   2.149
  450    HA   GLU  49           HA       GLU  49  -7.127  -8.016   2.452
  451   1HB   GLU  49          2HB       GLU  49  -8.385  -6.712   0.037
  452   2HB   GLU  49          1HB       GLU  49  -7.731  -8.348  -0.043
  453   1HG   GLU  49          2HG       GLU  49  -9.400  -9.221   1.246
  454   2HG   GLU  49          1HG       GLU  49  -9.481  -7.796   2.281
  455    QB   GLU  49           QB       GLU  49  -8.058  -7.530  -0.003
  456    QG   GLU  49           QG       GLU  49  -9.441  -8.509   1.764
  457    H    ALA  50           H        ALA  50  -6.143  -5.321   0.350
  458    HA   ALA  50           HA       ALA  50  -3.876  -6.688  -0.799
  459   1HB   ALA  50          3HB       ALA  50  -4.887  -4.655  -1.812
  460   2HB   ALA  50          2HB       ALA  50  -4.352  -3.708  -0.425
  461   3HB   ALA  50          1HB       ALA  50  -3.164  -4.434  -1.506
  462    QB   ALA  50           QB       ALA  50  -4.134  -4.266  -1.248
  463    H    MET  51           H        MET  51  -4.442  -4.946   2.179
  464    HA   MET  51           HA       MET  51  -1.591  -4.668   2.815
  465   1HB   MET  51          2HB       MET  51  -3.293  -3.009   3.577
  466   2HB   MET  51          1HB       MET  51  -4.025  -4.261   4.580
  467   1HG   MET  51          2HG       MET  51  -1.510  -4.506   5.451
  468   2HG   MET  51          1HG       MET  51  -1.435  -2.821   4.937
  469   1HE   MET  51          1HE       MET  51  -2.345  -1.131   5.577
  470   2HE   MET  51          3HE       MET  51  -3.914  -0.952   6.371
  471   3HE   MET  51          2HE       MET  51  -2.431  -0.856   7.315
  472    QB   MET  51           QB       MET  51  -3.659  -3.635   4.079
  473    QG   MET  51           QG       MET  51  -1.472  -3.663   5.194
  474    QE   MET  51           QE       MET  51  -2.897  -0.980   6.421
  475    H    ASP  52           H        ASP  52  -4.030  -7.075   3.193
  476    HA   ASP  52           HA       ASP  52  -2.579  -8.372   5.431
  477   1HB   ASP  52          2HB       ASP  52  -5.042  -8.311   5.532
  478   2HB   ASP  52          1HB       ASP  52  -5.129  -9.181   4.000
  479    QB   ASP  52           QB       ASP  52  -5.085  -8.746   4.766
  480    H    THR  53           H        THR  53  -2.575  -8.386   2.042
  481    HA   THR  53           HA       THR  53  -1.777 -11.226   1.828
  482    HB   THR  53           HB       THR  53  -1.485 -10.565  -0.634
  483    HG1  THR  53          1HG       THR  53  -1.319  -8.339  -0.312
  484   1HG2  THR  53          1HG2      THR  53  -3.654 -11.404   0.780
  485   2HG2  THR  53          3HG2      THR  53  -4.281  -9.913   0.076
  486   3HG2  THR  53          2HG2      THR  53  -3.650 -11.186  -0.970
  487    QG2  THR  53           QG2      THR  53  -3.862 -10.834  -0.038
  488    H    CYS  54           H        CYS  54  -0.228  -8.639   2.954
  489    HA   CYS  54           HA       CYS  54   2.284  -9.010   1.416
  490   1HB   CYS  54          1HB       CYS  54   1.343  -6.718   2.182
  491   2HB   CYS  54          2HB       CYS  54   1.908  -7.181   3.783
  492    QB   CYS  54           QB       CYS  54   1.625  -6.950   2.982
  493    HA   PRO  55           HA       PRO  55   3.809 -11.754   4.508
  494   1HB   PRO  55          2HB       PRO  55   6.439 -11.709   3.830
  495   2HB   PRO  55          1HB       PRO  55   5.224 -12.580   2.896
  496   1HG   PRO  55          2HG       PRO  55   6.504  -9.949   2.325
  497   2HG   PRO  55          1HG       PRO  55   5.982 -11.210   1.198
  498   1HD   PRO  55          2HD       PRO  55   4.582  -8.885   1.697
  499   2HD   PRO  55          1HD       PRO  55   3.864 -10.376   1.056
  500    QB   PRO  55           QB       PRO  55   5.831 -12.144   3.363
  501    QG   PRO  55           QG       PRO  55   6.243 -10.579   1.762
  502    QD   PRO  55           QD       PRO  55   4.223  -9.631   1.376
  503    H    VAL  56           H        VAL  56   6.040  -9.008   3.892
  504    HA   VAL  56           HA       VAL  56   6.648  -8.818   6.766
  505    HB   VAL  56           HB       VAL  56   8.367  -8.442   4.944
  506   1HG1  VAL  56          3HG1      VAL  56   6.371  -6.746   3.945
  507   2HG1  VAL  56          2HG1      VAL  56   7.625  -5.659   4.540
  508   3HG1  VAL  56          1HG1      VAL  56   8.023  -6.891   3.342
  509   1HG2  VAL  56          2HG2      VAL  56   8.614  -7.596   7.289
  510   2HG2  VAL  56          1HG2      VAL  56   9.427  -6.575   6.103
  511   3HG2  VAL  56          3HG2      VAL  56   7.877  -6.077   6.780
  512    QG1  VAL  56           QG1      VAL  56   7.340  -6.432   3.942
  513    QG2  VAL  56           QG2      VAL  56   8.639  -6.749   6.724
  514    QQG  VAL  56           QQG      VAL  56   7.989  -6.591   5.333
  515    H    GLN  57           H        GLN  57   4.549  -7.350   4.436
  516    HA   GLN  57           HA       GLN  57   2.739  -5.898   4.812
  517   1HB   GLN  57          2HB       GLN  57   3.414  -6.765   7.412
  518   2HB   GLN  57          1HB       GLN  57   3.271  -5.007   7.496
  519   1HG   GLN  57          2HG       GLN  57   1.094  -5.321   6.131
  520   2HG   GLN  57          1HG       GLN  57   1.205  -7.016   6.605
  521   1HE2  GLN  57          2HE2      GLN  57  -0.620  -4.769   9.178
  522   2HE2  GLN  57          1HE2      GLN  57  -0.685  -4.715   7.483
  523    QB   GLN  57           QB       GLN  57   3.343  -5.886   7.454
  524    QG   GLN  57           QG       GLN  57   1.149  -6.169   6.368
  525    QE2  GLN  57           QE2      GLN  57  -0.652  -4.742   8.330
  526    H    CYS  58           H        CYS  58   5.375  -4.601   6.885
  527    HA   CYS  58           HA       CYS  58   6.247  -2.403   6.911
  528   1HB   CYS  58          2HB       CYS  58   7.510  -1.959   5.000
  529   2HB   CYS  58          1HB       CYS  58   7.253  -3.694   4.870
  530    HG   CYS  58           HG       CYS  58   6.524  -1.899   2.721
  531    QB   CYS  58           QB       CYS  58   7.382  -2.826   4.935
  532    H    ILE  59           H        ILE  59   3.263  -2.707   6.610
  533    HA   ILE  59           HA       ILE  59   2.733  -0.050   5.343
  534    HB   ILE  59           HB       ILE  59   1.812  -1.851   3.962
  535   1HG1  ILE  59          2HG1      ILE  59  -0.539  -0.737   5.477
  536   2HG1  ILE  59          1HG1      ILE  59   0.502   0.331   4.539
  537   1HG2  ILE  59          2HG2      ILE  59   1.672  -3.460   5.936
  538   2HG2  ILE  59          1HG2      ILE  59   0.159  -2.657   6.361
  539   3HG2  ILE  59          3HG2      ILE  59   0.309  -3.498   4.817
  540   1HD1  ILE  59          1HD1      ILE  59   0.020  -1.854   2.852
  541   2HD1  ILE  59          3HD1      ILE  59  -1.539  -1.511   3.605
  542   3HD1  ILE  59          2HD1      ILE  59  -0.691  -0.244   2.717
  543    QG1  ILE  59           QG1      ILE  59  -0.019  -0.203   5.008
  544    QG2  ILE  59           QG2      ILE  59   0.713  -3.205   5.705
  545    QD1  ILE  59           QD1      ILE  59  -0.737  -1.203   3.058
  546    H    HIS  60           H        HIS  60   0.766   1.028   6.240
  547    HA   HIS  60           HA       HIS  60  -0.401   0.172   8.724
  548   1HB   HIS  60          2HB       HIS  60   0.764   2.386   9.825
  549   2HB   HIS  60          1HB       HIS  60   1.339   0.740  10.085
  550    HD1  HIS  60          1HD       HIS  60   3.742   0.398   9.530
  551    HD2  HIS  60          2HD       HIS  60   2.111   3.559   7.357
  552    HE1  HIS  60          1HE       HIS  60   5.636   1.377   8.160
  553    QB   HIS  60           QB       HIS  60   1.051   1.563   9.955
  554    H    TRP  61           H        TRP  61  -1.578   2.172   9.764
  555    HA   TRP  61           HA       TRP  61  -2.715   3.713   7.492
  556   1HB   TRP  61          2HB       TRP  61  -3.751   3.324  10.312
  557   2HB   TRP  61          1HB       TRP  61  -4.587   4.182   9.024
  558    HD1  TRP  61           HD       TRP  61  -3.141   0.652   9.705
  559    HE1  TRP  61          1HE       TRP  61  -4.611  -1.055   8.445
  560    HE3  TRP  61          3HE       TRP  61  -6.317   3.834   7.343
  561    HZ2  TRP  61          2HZ       TRP  61  -6.852  -1.058   6.660
  562    HZ3  TRP  61          3HZ       TRP  61  -8.120   2.971   5.863
  563    HH2  TRP  61           HH       TRP  61  -8.388   0.527   5.520
  564    QB   TRP  61           QB       TRP  61  -4.169   3.753   9.668
  565    H    GLU  62           H        GLU  62  -3.286   6.024   7.955
  566    HA   GLU  62           HA       GLU  62  -1.230   7.296   9.714
  567   1HB   GLU  62          2HB       GLU  62  -0.530   7.783   7.509
  568   2HB   GLU  62          1HB       GLU  62  -2.184   8.003   6.937
  569   1HG   GLU  62          2HG       GLU  62  -2.395  10.103   8.029
  570   2HG   GLU  62          1HG       GLU  62  -0.972   9.815   9.031
  571    QB   GLU  62           QB       GLU  62  -1.357   7.893   7.223
  572    QG   GLU  62           QG       GLU  62  -1.684   9.959   8.530
  573    H    ASP  63           H        ASP  63  -2.388   8.002  11.463
  574    HA   ASP  63           HA       ASP  63  -5.006   9.349  10.942
  575   1HB   ASP  63          2HB       ASP  63  -3.906   7.953  13.393
  576   2HB   ASP  63          1HB       ASP  63  -5.353   8.962  13.438
  577    QB   ASP  63           QB       ASP  63  -4.629   8.457  13.416
  578    H    GLU  64           H        GLU  64  -4.689  11.527  10.837
  579    HA   GLU  64           HA       GLU  64  -2.844  12.748  12.854
  580   1HB   GLU  64          2HB       GLU  64  -2.924  13.010   9.974
  581   2HB   GLU  64          1HB       GLU  64  -3.203  14.575  10.738
  582   1HG   GLU  64          2HG       GLU  64  -0.988  12.799  11.728
  583   2HG   GLU  64          1HG       GLU  64  -0.741  13.800  10.297
  584    QB   GLU  64           QB       GLU  64  -3.063  13.792  10.356
  585    QG   GLU  64           QG       GLU  64  -0.865  13.300  11.013
   
  No H/Q in entry =         585
  Start of MODEL   11
    1    HA   ALA   1           HA       ALA   1 -10.453  10.292   8.322
    2   1HB   ALA   1          3HB       ALA   1 -10.953  11.367  10.936
    3   2HB   ALA   1          2HB       ALA   1  -9.210  11.243  10.700
    4   3HB   ALA   1          1HB       ALA   1 -10.191  12.157   9.555
    5    QB   ALA   1           QB       ALA   1 -10.118  11.589  10.397
    6    H    ARG   2           H        ARG   2  -9.203   8.523   7.656
    7    HA   ARG   2           HA       ARG   2  -6.947   7.843   9.449
    8   1HB   ARG   2          2HB       ARG   2  -8.829   6.149   9.783
    9   2HB   ARG   2          1HB       ARG   2  -8.553   5.653   8.113
   10   1HG   ARG   2          2HG       ARG   2  -6.965   4.268   8.929
   11   2HG   ARG   2          1HG       ARG   2  -5.996   5.715   9.206
   12   1HD   ARG   2          2HD       ARG   2  -6.242   4.291  11.252
   13   2HD   ARG   2          1HD       ARG   2  -6.861   5.929  11.466
   14    HE   ARG   2           HE       ARG   2  -8.769   3.775  10.710
   15   1HH1  ARG   2          1HH1      ARG   2 -10.538   5.579  11.389
   16   2HH1  ARG   2          2HH1      ARG   2 -10.590   5.739  13.112
   17   1HH2  ARG   2          1HH2      ARG   2  -7.524   4.195  13.611
   18   2HH2  ARG   2          2HH2      ARG   2  -8.882   4.955  14.371
   19    QB   ARG   2           QB       ARG   2  -8.691   5.901   8.948
   20    QG   ARG   2           QG       ARG   2  -6.480   4.992   9.067
   21    QD   ARG   2           QD       ARG   2  -6.552   5.110  11.359
   22    QH1  ARG   2           QH1      ARG   2 -10.564   5.659  12.251
   23    QH2  ARG   2           QH2      ARG   2  -8.203   4.575  13.991
   24    H    LYS   3           H        LYS   3  -5.342   8.562   8.089
   25    HA   LYS   3           HA       LYS   3  -5.526   8.068   5.191
   26   1HB   LYS   3          2HB       LYS   3  -4.302  10.018   6.776
   27   2HB   LYS   3          1HB       LYS   3  -2.961   9.062   6.154
   28   1HG   LYS   3          2HG       LYS   3  -4.033   9.275   3.854
   29   2HG   LYS   3          1HG       LYS   3  -5.106  10.480   4.567
   30   1HD   LYS   3          2HD       LYS   3  -3.445  11.921   3.931
   31   2HD   LYS   3          1HD       LYS   3  -2.722  11.406   5.457
   32   1HE   LYS   3          2HE       LYS   3  -1.809   9.424   3.908
   33   2HE   LYS   3          1HE       LYS   3  -1.986  10.662   2.663
   34   1HZ   LYS   3          3HZ       LYS   3  -0.829  11.926   4.818
   35   2HZ   LYS   3          2HZ       LYS   3  -0.021  10.437   4.699
   36   3HZ   LYS   3          1HZ       LYS   3  -0.070  11.489   3.366
   37    QB   LYS   3           QB       LYS   3  -3.632   9.540   6.465
   38    QG   LYS   3           QG       LYS   3  -4.570   9.878   4.211
   39    QD   LYS   3           QD       LYS   3  -3.084  11.664   4.694
   40    QE   LYS   3           QE       LYS   3  -1.898  10.043   3.285
   41    QZ   LYS   3           QZ       LYS   3  -0.307  11.284   4.294
   42    H    PHE   4           H        PHE   4  -2.698   7.652   4.747
   43    HA   PHE   4           HA       PHE   4  -1.621   5.472   6.202
   44   1HB   PHE   4          2HB       PHE   4  -2.200   3.558   4.828
   45   2HB   PHE   4          1HB       PHE   4  -3.692   4.327   5.365
   46    HD1  PHE   4          1HD       PHE   4  -1.792   3.243   2.530
   47    HD2  PHE   4          2HD       PHE   4  -4.762   6.073   3.798
   48    HE1  PHE   4          1HE       PHE   4  -2.487   3.570   0.171
   49    HE2  PHE   4          2HE       PHE   4  -5.455   6.401   1.444
   50    HZ   PHE   4           HZ       PHE   4  -4.320   5.150  -0.372
   51    QB   PHE   4           QB       PHE   4  -2.946   3.943   5.097
   52    QD   PHE   4           QD       PHE   4  -3.277   4.658   3.164
   53    QE   PHE   4           QE       PHE   4  -3.971   4.986   0.807
   54    QR   PHE   4           QR       PHE   4  -3.763   4.888   1.514
   55    H    TYR   5           H        TYR   5  -0.485   3.976   4.004
   56    HA   TYR   5           HA       TYR   5   0.551   5.421   1.885
   57   1HB   TYR   5          2HB       TYR   5   2.824   6.056   2.852
   58   2HB   TYR   5          1HB       TYR   5   1.492   7.092   3.346
   59    HD1  TYR   5          1HD       TYR   5   3.237   3.949   4.407
   60    HD2  TYR   5          2HD       TYR   5   1.208   7.533   5.626
   61    HE1  TYR   5          1HE       TYR   5   3.718   3.413   6.780
   62    HE2  TYR   5          2HE       TYR   5   1.689   6.996   7.999
   63    HH   TYR   5           HH       TYR   5   2.939   5.687   9.368
   64    QB   TYR   5           QB       TYR   5   2.158   6.574   3.099
   65    QD   TYR   5           QD       TYR   5   2.222   5.741   5.016
   66    QE   TYR   5           QE       TYR   5   2.704   5.204   7.390
   67    QR   TYR   5           QR       TYR   5   2.463   5.473   6.203
   68    H    VAL   6           H        VAL   6   2.987   4.441   1.509
   69    HA   VAL   6           HA       VAL   6   2.687   1.639   2.496
   70    HB   VAL   6           HB       VAL   6   4.033   2.185  -0.106
   71   1HG1  VAL   6          3HG1      VAL   6   2.618   0.022   1.381
   72   2HG1  VAL   6          2HG1      VAL   6   2.717  -0.051  -0.380
   73   3HG1  VAL   6          1HG1      VAL   6   4.188  -0.016   0.587
   74   1HG2  VAL   6          2HG2      VAL   6   1.155   2.535   0.528
   75   2HG2  VAL   6          1HG2      VAL   6   2.089   3.135  -0.834
   76   3HG2  VAL   6          3HG2      VAL   6   1.512   1.482  -0.842
   77    QG1  VAL   6           QG1      VAL   6   3.174  -0.015   0.529
   78    QG2  VAL   6           QG2      VAL   6   1.585   2.384  -0.383
   79    QQG  VAL   6           QQG      VAL   6   2.380   1.184   0.073
   80    H    ASP   7           H        ASP   7   4.469   0.510   3.059
   81    HA   ASP   7           HA       ASP   7   6.873   2.140   3.500
   82   1HB   ASP   7          2HB       ASP   7   5.546   0.088   5.000
   83   2HB   ASP   7          1HB       ASP   7   7.176  -0.465   4.617
   84    QB   ASP   7           QB       ASP   7   6.361  -0.188   4.809
   85    H    GLN   8           H        GLN   8   6.278   1.321   0.880
   86    HA   GLN   8           HA       GLN   8   7.236  -0.986  -0.212
   87   1HB   GLN   8          2HB       GLN   8   7.900   0.278  -2.159
   88   2HB   GLN   8          1HB       GLN   8   6.499   1.082  -1.448
   89   1HG   GLN   8          2HG       GLN   8   9.367   1.873  -0.877
   90   2HG   GLN   8          1HG       GLN   8   8.345   2.664  -2.077
   91   1HE2  GLN   8          2HE2      GLN   8   6.046   3.841   0.578
   92   2HE2  GLN   8          1HE2      GLN   8   5.916   2.968  -0.872
   93    QB   GLN   8           QB       GLN   8   7.200   0.680  -1.804
   94    QG   GLN   8           QG       GLN   8   8.856   2.268  -1.477
   95    QE2  GLN   8           QE2      GLN   8   5.981   3.405  -0.147
   96    H    ASP   9           H        ASP   9   9.169   1.407   1.469
   97    HA   ASP   9           HA       ASP   9  11.759   0.829   0.618
   98   1HB   ASP   9          2HB       ASP   9  10.716   2.227   2.725
   99   2HB   ASP   9          1HB       ASP   9  11.454   0.859   3.561
  100    QB   ASP   9           QB       ASP   9  11.085   1.543   3.143
  101    H    GLU  10           H        GLU  10   9.536  -1.208   2.344
  102    HA   GLU  10           HA       GLU  10  11.672  -3.255   2.714
  103   1HB   GLU  10          2HB       GLU  10  10.313  -2.533   4.713
  104   2HB   GLU  10          1HB       GLU  10   8.890  -3.199   3.913
  105   1HG   GLU  10          2HG       GLU  10   9.565  -5.376   4.226
  106   2HG   GLU  10          1HG       GLU  10  11.278  -4.971   4.105
  107    QB   GLU  10           QB       GLU  10   9.602  -2.866   4.313
  108    QG   GLU  10           QG       GLU  10  10.422  -5.174   4.166
  109    H    CYS  11           H        CYS  11   8.922  -2.445   0.824
  110    HA   CYS  11           HA       CYS  11   7.670  -4.825   0.188
  111   1HB   CYS  11          1HB       CYS  11   7.084  -2.703  -0.907
  112   2HB   CYS  11          2HB       CYS  11   8.605  -2.729  -1.805
  113    QB   CYS  11           QB       CYS  11   7.844  -2.716  -1.356
  114    H    ILE  12           H        ILE  12   8.156  -6.666  -1.018
  115    HA   ILE  12           HA       ILE  12  11.042  -7.045  -1.614
  116    HB   ILE  12           HB       ILE  12  10.643  -9.386  -1.467
  117   1HG1  ILE  12          2HG1      ILE  12   7.697  -8.679  -1.647
  118   2HG1  ILE  12          1HG1      ILE  12   8.649  -9.531  -2.863
  119   1HG2  ILE  12          1HG2      ILE  12  10.454  -8.005   0.678
  120   2HG2  ILE  12          3HG2      ILE  12   8.709  -8.217   0.542
  121   3HG2  ILE  12          2HG2      ILE  12   9.756  -9.623   0.735
  122   1HD1  ILE  12          2HD1      ILE  12   9.135 -11.271  -1.048
  123   2HD1  ILE  12          1HD1      ILE  12   7.856 -10.500  -0.111
  124   3HD1  ILE  12          3HD1      ILE  12   7.486 -11.235  -1.671
  125    QG1  ILE  12           QG1      ILE  12   8.173  -9.105  -2.255
  126    QG2  ILE  12           QG2      ILE  12   9.640  -8.615   0.652
  127    QD1  ILE  12           QD1      ILE  12   8.159 -11.002  -0.943
  128    H    ALA  13           H        ALA  13   7.846  -7.569  -3.154
  129    HA   ALA  13           HA       ALA  13   8.482  -6.572  -5.667
  130   1HB   ALA  13          3HB       ALA  13   9.665  -9.252  -5.179
  131   2HB   ALA  13          2HB       ALA  13   8.856  -9.030  -6.730
  132   3HB   ALA  13          1HB       ALA  13  10.190  -7.972  -6.271
  133    QB   ALA  13           QB       ALA  13   9.570  -8.751  -6.060
  134    H    CYS  14           H        CYS  14   6.930  -9.275  -3.975
  135    HA   CYS  14           HA       CYS  14   5.022 -10.066  -5.840
  136   1HB   CYS  14          1HB       CYS  14   4.135 -11.179  -4.096
  137   2HB   CYS  14          2HB       CYS  14   5.378 -10.423  -3.100
  138    QB   CYS  14           QB       CYS  14   4.756 -10.801  -3.598
  139    H    GLU  15           H        GLU  15   2.736  -9.400  -6.107
  140    HA   GLU  15           HA       GLU  15   2.397  -6.454  -5.692
  141   1HB   GLU  15          2HB       GLU  15   1.630  -8.197  -8.046
  142   2HB   GLU  15          1HB       GLU  15   0.992  -6.568  -7.814
  143   1HG   GLU  15          2HG       GLU  15   2.835  -5.898  -8.962
  144   2HG   GLU  15          1HG       GLU  15   3.689  -6.175  -7.443
  145    QB   GLU  15           QB       GLU  15   1.311  -7.382  -7.930
  146    QG   GLU  15           QG       GLU  15   3.262  -6.037  -8.203
  147    H    SER  16           H        SER  16   1.460  -8.935  -4.148
  148    HA   SER  16           HA       SER  16  -1.253  -9.482  -4.431
  149   1HB   SER  16          2HB       SER  16   0.597  -9.992  -2.485
  150   2HB   SER  16          1HB       SER  16  -0.456  -8.851  -1.653
  151    HG   SER  16           HG       SER  16  -1.077 -11.125  -1.533
  152    QB   SER  16           QB       SER  16   0.071  -9.421  -2.069
  153    H    CYS  17           H        CYS  17   0.068  -6.821  -2.428
  154    HA   CYS  17           HA       CYS  17  -2.360  -5.536  -1.840
  155   1HB   CYS  17          1HB       CYS  17  -1.061  -3.558  -1.406
  156   2HB   CYS  17          2HB       CYS  17  -0.056  -4.937  -0.962
  157    QB   CYS  17           QB       CYS  17  -0.559  -4.247  -1.184
  158    H    VAL  18           H        VAL  18  -0.141  -4.718  -4.538
  159    HA   VAL  18           HA       VAL  18  -1.686  -2.821  -5.844
  160    HB   VAL  18           HB       VAL  18  -0.099  -5.073  -7.117
  161   1HG1  VAL  18          2HG1      VAL  18  -1.777  -3.869  -8.610
  162   2HG1  VAL  18          1HG1      VAL  18  -0.852  -2.397  -8.317
  163   3HG1  VAL  18          3HG1      VAL  18  -0.095  -3.767  -9.129
  164   1HG2  VAL  18          3HG2      VAL  18   0.576  -2.530  -5.784
  165   2HG2  VAL  18          2HG2      VAL  18   1.594  -3.935  -6.106
  166   3HG2  VAL  18          1HG2      VAL  18   1.326  -2.732  -7.368
  167    QG1  VAL  18           QG1      VAL  18  -0.908  -3.344  -8.685
  168    QG2  VAL  18           QG2      VAL  18   1.165  -3.066  -6.419
  169    QQG  VAL  18           QQG      VAL  18   0.129  -3.205  -7.552
  170    H    GLU  19           H        GLU  19  -2.283  -6.268  -5.595
  171    HA   GLU  19           HA       GLU  19  -4.395  -6.198  -7.628
  172   1HB   GLU  19          2HB       GLU  19  -2.852  -8.233  -6.496
  173   2HB   GLU  19          1HB       GLU  19  -4.461  -8.490  -5.818
  174   1HG   GLU  19          2HG       GLU  19  -4.439  -7.856  -8.700
  175   2HG   GLU  19          1HG       GLU  19  -3.672  -9.389  -8.280
  176    QB   GLU  19           QB       GLU  19  -3.656  -8.361  -6.157
  177    QG   GLU  19           QG       GLU  19  -4.055  -8.623  -8.490
  178    H    ILE  20           H        ILE  20  -4.132  -6.197  -4.116
  179    HA   ILE  20           HA       ILE  20  -7.072  -6.078  -3.861
  180    HB   ILE  20           HB       ILE  20  -5.036  -5.729  -1.672
  181   1HG1  ILE  20          2HG1      ILE  20  -6.152  -8.290  -1.703
  182   2HG1  ILE  20          1HG1      ILE  20  -5.421  -7.987  -3.265
  183   1HG2  ILE  20          3HG2      ILE  20  -7.942  -5.950  -1.854
  184   2HG2  ILE  20          2HG2      ILE  20  -7.222  -7.064  -0.693
  185   3HG2  ILE  20          1HG2      ILE  20  -6.950  -5.329  -0.534
  186   1HD1  ILE  20          1HD1      ILE  20  -3.520  -6.972  -1.613
  187   2HD1  ILE  20          3HD1      ILE  20  -4.156  -8.271  -0.606
  188   3HD1  ILE  20          2HD1      ILE  20  -3.502  -8.633  -2.203
  189    QG1  ILE  20           QG1      ILE  20  -5.787  -8.139  -2.484
  190    QG2  ILE  20           QG2      ILE  20  -7.371  -6.114  -1.027
  191    QD1  ILE  20           QD1      ILE  20  -3.726  -7.958  -1.474
  192    H    ALA  21           H        ALA  21  -5.152  -4.002  -5.142
  193    HA   ALA  21           HA       ALA  21  -6.599  -1.658  -4.572
  194   1HB   ALA  21          3HB       ALA  21  -4.141  -2.022  -2.839
  195   2HB   ALA  21          2HB       ALA  21  -4.860  -0.444  -3.160
  196   3HB   ALA  21          1HB       ALA  21  -5.788  -1.679  -2.308
  197    QB   ALA  21           QB       ALA  21  -4.930  -1.381  -2.769
  198    HA   PRO  22           HA       PRO  22  -3.286  -1.688  -7.841
  199   1HB   PRO  22          2HB       PRO  22  -4.943  -1.673  -9.994
  200   2HB   PRO  22          1HB       PRO  22  -4.372  -3.156  -9.229
  201   1HG   PRO  22          2HG       PRO  22  -7.018  -1.805  -8.970
  202   2HG   PRO  22          1HG       PRO  22  -6.640  -3.534  -8.989
  203   1HD   PRO  22          2HD       PRO  22  -7.197  -2.097  -6.710
  204   2HD   PRO  22          1HD       PRO  22  -6.252  -3.599  -6.740
  205    QB   PRO  22           QB       PRO  22  -4.658  -2.415  -9.612
  206    QG   PRO  22           QG       PRO  22  -6.829  -2.670  -8.979
  207    QD   PRO  22           QD       PRO  22  -6.725  -2.848  -6.725
  208    H    GLY  23           H        GLY  23  -5.625   0.310  -6.609
  209   1HA   GLY  23          2HA       GLY  23  -4.973   2.507  -8.532
  210   2HA   GLY  23          1HA       GLY  23  -6.460   2.446  -7.582
  211    QA   GLY  23           QA       GLY  23  -5.717   2.476  -8.057
  212    H    ALA  24           H        ALA  24  -4.793   1.410  -5.240
  213    HA   ALA  24           HA       ALA  24  -3.764   4.090  -4.406
  214   1HB   ALA  24          3HB       ALA  24  -5.484   2.146  -3.120
  215   2HB   ALA  24          2HB       ALA  24  -4.060   2.464  -2.130
  216   3HB   ALA  24          1HB       ALA  24  -5.107   3.796  -2.621
  217    QB   ALA  24           QB       ALA  24  -4.884   2.802  -2.624
  218    H    PHE  25           H        PHE  25  -3.024   0.666  -4.634
  219    HA   PHE  25           HA       PHE  25  -0.273   1.257  -3.602
  220   1HB   PHE  25          2HB       PHE  25  -2.143  -0.973  -3.187
  221   2HB   PHE  25          1HB       PHE  25  -0.549  -1.516  -3.705
  222    HD1  PHE  25          1HD       PHE  25   0.608  -2.282  -1.835
  223    HD2  PHE  25          2HD       PHE  25  -1.631   1.373  -1.555
  224    HE1  PHE  25          1HE       PHE  25   1.479  -1.929   0.458
  225    HE2  PHE  25          2HE       PHE  25  -0.754   1.731   0.740
  226    HZ   PHE  25           HZ       PHE  25   0.802   0.079   1.744
  227    QB   PHE  25           QB       PHE  25  -1.346  -1.244  -3.446
  228    QD   PHE  25           QD       PHE  25  -0.512  -0.454  -1.695
  229    QE   PHE  25           QE       PHE  25   0.363  -0.099   0.599
  230    QR   PHE  25           QR       PHE  25   0.101  -0.205  -0.089
  231    H    ALA  26           H        ALA  26   1.365   1.054  -5.131
  232    HA   ALA  26           HA       ALA  26   1.074  -0.795  -7.391
  233   1HB   ALA  26          1HB       ALA  26   0.907   2.195  -7.735
  234   2HB   ALA  26          3HB       ALA  26   1.527   1.166  -9.027
  235   3HB   ALA  26          2HB       ALA  26  -0.121   0.946  -8.437
  236    QB   ALA  26           QB       ALA  26   0.771   1.436  -8.400
  237    H    MET  27           H        MET  27   3.073  -1.240  -8.394
  238    HA   MET  27           HA       MET  27   5.436  -0.583  -6.847
  239   1HB   MET  27          2HB       MET  27   5.197  -2.768  -7.966
  240   2HB   MET  27          1HB       MET  27   5.152  -1.962  -9.533
  241   1HG   MET  27          2HG       MET  27   7.463  -0.944  -8.451
  242   2HG   MET  27          1HG       MET  27   7.459  -2.582  -7.808
  243   1HE   MET  27          3HE       MET  27   7.301  -4.521  -8.839
  244   2HE   MET  27          2HE       MET  27   7.741  -4.948 -10.491
  245   3HE   MET  27          1HE       MET  27   8.978  -4.362  -9.381
  246    QB   MET  27           QB       MET  27   5.175  -2.365  -8.750
  247    QG   MET  27           QG       MET  27   7.461  -1.763  -8.130
  248    QE   MET  27           QE       MET  27   8.007  -4.610  -9.570
  249    H    ASP  28           H        ASP  28   7.337   0.723  -7.645
  250    HA   ASP  28           HA       ASP  28   6.576   2.409 -10.004
  251   1HB   ASP  28          2HB       ASP  28   6.527   3.290  -7.381
  252   2HB   ASP  28          1HB       ASP  28   8.136   3.753  -7.925
  253    QB   ASP  28           QB       ASP  28   7.332   3.522  -7.653
  254    HA   PRO  29           HA       PRO  29  10.785   1.649 -11.033
  255   1HB   PRO  29          2HB       PRO  29  11.388   3.822 -12.550
  256   2HB   PRO  29          1HB       PRO  29  10.306   2.546 -13.104
  257   1HG   PRO  29          2HG       PRO  29   9.655   5.281 -12.215
  258   2HG   PRO  29          1HG       PRO  29   8.728   4.189 -13.254
  259   1HD   PRO  29          2HD       PRO  29   8.290   4.753 -10.503
  260   2HD   PRO  29          1HD       PRO  29   7.433   3.574 -11.505
  261    QB   PRO  29           QB       PRO  29  10.847   3.184 -12.827
  262    QG   PRO  29           QG       PRO  29   9.191   4.735 -12.735
  263    QD   PRO  29           QD       PRO  29   7.862   4.163 -11.004
  264    H    GLU  30           H        GLU  30   9.808   4.418  -9.298
  265    HA   GLU  30           HA       GLU  30  12.529   5.345  -8.637
  266   1HB   GLU  30          2HB       GLU  30  10.207   6.705  -8.766
  267   2HB   GLU  30          1HB       GLU  30  10.133   6.216  -7.074
  268   1HG   GLU  30          2HG       GLU  30  11.617   7.806  -6.523
  269   2HG   GLU  30          1HG       GLU  30  12.794   7.115  -7.642
  270    QB   GLU  30           QB       GLU  30  10.170   6.460  -7.920
  271    QG   GLU  30           QG       GLU  30  12.206   7.460  -7.083
  272    H    ILE  31           H        ILE  31   9.821   3.581  -7.228
  273    HA   ILE  31           HA       ILE  31  11.522   2.873  -4.919
  274    HB   ILE  31           HB       ILE  31   9.228   1.848  -4.136
  275   1HG1  ILE  31          2HG1      ILE  31   8.325   2.614  -6.483
  276   2HG1  ILE  31          1HG1      ILE  31   7.309   2.783  -5.057
  277   1HG2  ILE  31          2HG2      ILE  31  10.336   4.608  -3.982
  278   2HG2  ILE  31          1HG2      ILE  31   8.692   4.371  -3.390
  279   3HG2  ILE  31          3HG2      ILE  31  10.022   3.446  -2.694
  280   1HD1  ILE  31          1HD1      ILE  31   8.100   5.149  -4.826
  281   2HD1  ILE  31          3HD1      ILE  31   8.984   4.962  -6.338
  282   3HD1  ILE  31          2HD1      ILE  31   7.225   4.859  -6.329
  283    QG1  ILE  31           QG1      ILE  31   7.817   2.698  -5.770
  284    QG2  ILE  31           QG2      ILE  31   9.683   4.142  -3.355
  285    QD1  ILE  31           QD1      ILE  31   8.103   4.990  -5.831
  286    H    GLU  32           H        GLU  32  10.819   1.782  -7.897
  287    HA   GLU  32           HA       GLU  32  10.551  -0.368  -8.851
  288   1HB   GLU  32          2HB       GLU  32  12.711  -1.238  -6.954
  289   2HB   GLU  32          1HB       GLU  32  12.574  -1.524  -8.689
  290   1HG   GLU  32          2HG       GLU  32  13.116   0.801  -9.163
  291   2HG   GLU  32          1HG       GLU  32  13.125   1.183  -7.441
  292    QB   GLU  32           QB       GLU  32  12.643  -1.381  -7.821
  293    QG   GLU  32           QG       GLU  32  13.121   0.992  -8.302
  294    H    LYS  33           H        LYS  33   8.824   0.127  -6.679
  295    HA   LYS  33           HA       LYS  33   8.029  -2.586  -6.016
  296   1HB   LYS  33          2HB       LYS  33   9.803  -1.159  -4.138
  297   2HB   LYS  33          1HB       LYS  33   8.339  -1.820  -3.411
  298   1HG   LYS  33          2HG       LYS  33   9.185  -3.902  -3.506
  299   2HG   LYS  33          1HG       LYS  33   9.446  -3.746  -5.243
  300   1HD   LYS  33          2HD       LYS  33  11.490  -2.224  -4.344
  301   2HD   LYS  33          1HD       LYS  33  11.354  -3.359  -3.000
  302   1HE   LYS  33          2HE       LYS  33  11.159  -5.068  -5.106
  303   2HE   LYS  33          1HE       LYS  33  12.214  -3.834  -5.795
  304   1HZ   LYS  33          3HZ       LYS  33  13.490  -4.044  -3.612
  305   2HZ   LYS  33          2HZ       LYS  33  12.650  -5.505  -3.402
  306   3HZ   LYS  33          1HZ       LYS  33  13.663  -5.289  -4.749
  307    QB   LYS  33           QB       LYS  33   9.071  -1.490  -3.775
  308    QG   LYS  33           QG       LYS  33   9.315  -3.824  -4.374
  309    QD   LYS  33           QD       LYS  33  11.422  -2.791  -3.672
  310    QE   LYS  33           QE       LYS  33  11.686  -4.451  -5.450
  311    QZ   LYS  33           QZ       LYS  33  13.267  -4.946  -3.921
  312    H    ALA  34           H        ALA  34   6.149  -2.534  -4.451
  313    HA   ALA  34           HA       ALA  34   4.077  -0.949  -5.226
  314   1HB   ALA  34          1HB       ALA  34   4.574  -2.623  -3.013
  315   2HB   ALA  34          3HB       ALA  34   3.945  -1.117  -2.344
  316   3HB   ALA  34          2HB       ALA  34   3.013  -2.003  -3.550
  317    QB   ALA  34           QB       ALA  34   3.844  -1.915  -2.969
  318    H    TYR  35           H        TYR  35   3.063   0.986  -4.377
  319    HA   TYR  35           HA       TYR  35   4.523   2.776  -2.622
  320   1HB   TYR  35          2HB       TYR  35   5.488   4.224  -4.106
  321   2HB   TYR  35          1HB       TYR  35   5.458   2.832  -5.181
  322    HD1  TYR  35          1HD       TYR  35   3.519   5.863  -4.180
  323    HD2  TYR  35          2HD       TYR  35   4.208   2.870  -7.182
  324    HE1  TYR  35          1HE       TYR  35   2.084   7.121  -5.765
  325    HE2  TYR  35          2HE       TYR  35   2.772   4.127  -8.766
  326    HH   TYR  35           HH       TYR  35   0.992   7.008  -7.742
  327    QB   TYR  35           QB       TYR  35   5.473   3.528  -4.643
  328    QD   TYR  35           QD       TYR  35   3.863   4.366  -5.681
  329    QE   TYR  35           QE       TYR  35   2.428   5.624  -7.266
  330    QR   TYR  35           QR       TYR  35   3.146   4.995  -6.473
  331    H    VAL  36           H        VAL  36   3.159   4.578  -2.012
  332    HA   VAL  36           HA       VAL  36   0.380   3.945  -2.135
  333    HB   VAL  36           HB       VAL  36   1.477   6.681  -1.460
  334   1HG1  VAL  36          2HG1      VAL  36  -1.082   5.653  -1.546
  335   2HG1  VAL  36          1HG1      VAL  36  -0.624   5.413   0.140
  336   3HG1  VAL  36          3HG1      VAL  36  -0.581   7.030  -0.564
  337   1HG2  VAL  36          3HG2      VAL  36   2.720   4.802  -0.314
  338   2HG2  VAL  36          2HG2      VAL  36   1.922   5.968   0.733
  339   3HG2  VAL  36          1HG2      VAL  36   1.186   4.394   0.446
  340    QG1  VAL  36           QG1      VAL  36  -0.762   6.032  -0.657
  341    QG2  VAL  36           QG2      VAL  36   1.942   5.055   0.288
  342    QQG  VAL  36           QQG      VAL  36   0.590   5.544  -0.184
  343    H    LYS  37           H        LYS  37  -0.149   3.759  -4.348
  344    HA   LYS  37           HA       LYS  37   0.290   5.687  -6.359
  345   1HB   LYS  37          2HB       LYS  37  -1.194   3.291  -6.079
  346   2HB   LYS  37          1HB       LYS  37  -2.317   4.515  -6.674
  347   1HG   LYS  37          2HG       LYS  37   0.377   4.437  -7.942
  348   2HG   LYS  37          1HG       LYS  37  -0.724   3.112  -8.325
  349   1HD   LYS  37          2HD       LYS  37  -2.424   5.204  -8.571
  350   2HD   LYS  37          1HD       LYS  37  -0.913   5.989  -9.029
  351   1HE   LYS  37          2HE       LYS  37  -1.235   5.101 -11.083
  352   2HE   LYS  37          1HE       LYS  37  -0.802   3.553 -10.360
  353   1HZ   LYS  37          2HZ       LYS  37  -3.549   4.672 -10.481
  354   2HZ   LYS  37          1HZ       LYS  37  -2.939   3.469 -11.514
  355   3HZ   LYS  37          3HZ       LYS  37  -3.111   3.153  -9.856
  356    QB   LYS  37           QB       LYS  37  -1.756   3.903  -6.376
  357    QG   LYS  37           QG       LYS  37  -0.174   3.775  -8.133
  358    QD   LYS  37           QD       LYS  37  -1.669   5.597  -8.800
  359    QE   LYS  37           QE       LYS  37  -1.018   4.327 -10.721
  360    QZ   LYS  37           QZ       LYS  37  -3.199   3.765 -10.617
  361    H    ASP  38           H        ASP  38  -1.967   5.671  -3.700
  362    HA   ASP  38           HA       ASP  38  -2.507   8.442  -3.851
  363   1HB   ASP  38          2HB       ASP  38  -3.619   8.068  -5.951
  364   2HB   ASP  38          1HB       ASP  38  -4.515   6.698  -5.299
  365    QB   ASP  38           QB       ASP  38  -4.067   7.383  -5.625
  366    H    VAL  39           H        VAL  39  -4.176   9.094  -2.286
  367    HA   VAL  39           HA       VAL  39  -4.350   7.201  -0.077
  368    HB   VAL  39           HB       VAL  39  -5.665   9.099   1.000
  369   1HG1  VAL  39          3HG1      VAL  39  -2.862   9.240  -0.028
  370   2HG1  VAL  39          2HG1      VAL  39  -3.530  10.682   0.736
  371   3HG1  VAL  39          1HG1      VAL  39  -3.444   9.168   1.635
  372   1HG2  VAL  39          2HG2      VAL  39  -6.099   9.913  -1.556
  373   2HG2  VAL  39          1HG2      VAL  39  -6.171  11.001  -0.170
  374   3HG2  VAL  39          3HG2      VAL  39  -4.705  10.911  -1.144
  375    QG1  VAL  39           QG1      VAL  39  -3.279   9.697   0.781
  376    QG2  VAL  39           QG2      VAL  39  -5.658  10.608  -0.957
  377    QQG  VAL  39           QQG      VAL  39  -4.468  10.153  -0.088
  378    H    GLU  40           H        GLU  40  -6.420   8.138  -2.697
  379    HA   GLU  40           HA       GLU  40  -8.664   6.627  -1.416
  380   1HB   GLU  40          2HB       GLU  40  -8.666   8.946  -3.358
  381   2HB   GLU  40          1HB       GLU  40 -10.087   7.928  -3.118
  382   1HG   GLU  40          2HG       GLU  40  -9.678   8.400  -0.576
  383   2HG   GLU  40          1HG       GLU  40  -8.732   9.769  -1.164
  384    QB   GLU  40           QB       GLU  40  -9.376   8.437  -3.238
  385    QG   GLU  40           QG       GLU  40  -9.205   9.085  -0.870
  386    H    GLY  41           H        GLY  41  -6.279   5.844  -3.234
  387   1HA   GLY  41          2HA       GLY  41  -7.385   5.076  -5.774
  388   2HA   GLY  41          1HA       GLY  41  -5.916   4.417  -5.058
  389    QA   GLY  41           QA       GLY  41  -6.651   4.747  -5.416
  390    H    ALA  42           H        ALA  42  -7.793   3.780  -2.614
  391    HA   ALA  42           HA       ALA  42  -9.342   1.542  -3.774
  392   1HB   ALA  42          3HB       ALA  42  -6.833   1.243  -2.194
  393   2HB   ALA  42          2HB       ALA  42  -8.152   0.134  -1.824
  394   3HB   ALA  42          1HB       ALA  42  -7.495   0.209  -3.459
  395    QB   ALA  42           QB       ALA  42  -7.493   0.528  -2.492
  396    H    SER  43           H        SER  43 -10.891   0.668  -2.257
  397    HA   SER  43           HA       SER  43 -11.823   2.636  -0.326
  398   1HB   SER  43          2HB       SER  43 -13.117   0.070  -0.065
  399   2HB   SER  43          1HB       SER  43 -13.778   1.585  -0.663
  400    HG   SER  43           HG       SER  43 -13.523  -0.403  -2.117
  401    QB   SER  43           QB       SER  43 -13.448   0.827  -0.364
  402    H    GLN  44           H        GLN  44 -12.150   2.181   1.958
  403    HA   GLN  44           HA       GLN  44  -9.912   1.282   3.359
  404   1HB   GLN  44          2HB       GLN  44 -12.776   1.026   4.328
  405   2HB   GLN  44          1HB       GLN  44 -11.331   1.167   5.329
  406   1HG   GLN  44          2HG       GLN  44 -11.415   3.411   5.202
  407   2HG   GLN  44          1HG       GLN  44 -11.389   3.338   3.439
  408   1HE2  GLN  44          2HE2      GLN  44 -15.156   3.074   5.068
  409   2HE2  GLN  44          1HE2      GLN  44 -13.906   2.117   5.704
  410    QB   GLN  44           QB       GLN  44 -12.053   1.096   4.828
  411    QG   GLN  44           QG       GLN  44 -11.402   3.374   4.320
  412    QE2  GLN  44           QE2      GLN  44 -14.531   2.595   5.386
  413    H    GLU  45           H        GLU  45 -12.853  -0.608   2.568
  414    HA   GLU  45           HA       GLU  45 -12.009  -3.041   3.766
  415   1HB   GLU  45          2HB       GLU  45 -13.606  -2.827   1.200
  416   2HB   GLU  45          1HB       GLU  45 -13.647  -4.133   2.386
  417   1HG   GLU  45          2HG       GLU  45 -14.170  -1.667   3.746
  418   2HG   GLU  45          1HG       GLU  45 -15.231  -1.762   2.340
  419    QB   GLU  45           QB       GLU  45 -13.627  -3.480   1.793
  420    QG   GLU  45           QG       GLU  45 -14.701  -1.715   3.043
  421    H    GLU  46           H        GLU  46 -11.279  -1.632   0.602
  422    HA   GLU  46           HA       GLU  46  -9.854  -3.976  -0.354
  423   1HB   GLU  46          2HB       GLU  46  -9.471  -1.121  -1.292
  424   2HB   GLU  46          1HB       GLU  46  -9.193  -2.604  -2.206
  425   1HG   GLU  46          2HG       GLU  46 -11.747  -3.038  -1.694
  426   2HG   GLU  46          1HG       GLU  46 -11.788  -1.288  -1.482
  427    QB   GLU  46           QB       GLU  46  -9.332  -1.863  -1.749
  428    QG   GLU  46           QG       GLU  46 -11.767  -2.163  -1.588
  429    H    VAL  47           H        VAL  47  -8.747  -0.750   0.733
  430    HA   VAL  47           HA       VAL  47  -6.008  -1.293   0.845
  431    HB   VAL  47           HB       VAL  47  -7.821   0.708   1.885
  432   1HG1  VAL  47          1HG1      VAL  47  -5.528  -0.039   3.725
  433   2HG1  VAL  47          3HG1      VAL  47  -6.510   1.421   3.855
  434   3HG1  VAL  47          2HG1      VAL  47  -7.244  -0.163   4.114
  435   1HG2  VAL  47          2HG2      VAL  47  -5.575   0.597   0.345
  436   2HG2  VAL  47          1HG2      VAL  47  -6.222   2.082   1.039
  437   3HG2  VAL  47          3HG2      VAL  47  -4.914   1.227   1.854
  438    QG1  VAL  47           QG1      VAL  47  -6.427   0.406   3.898
  439    QG2  VAL  47           QG2      VAL  47  -5.570   1.302   1.079
  440    QQG  VAL  47           QQG      VAL  47  -5.999   0.854   2.488
  441    H    GLU  48           H        GLU  48  -8.586  -2.258   3.064
  442    HA   GLU  48           HA       GLU  48  -6.965  -3.129   5.219
  443   1HB   GLU  48          2HB       GLU  48  -9.699  -3.069   4.424
  444   2HB   GLU  48          1HB       GLU  48  -9.317  -4.700   4.924
  445   1HG   GLU  48          2HG       GLU  48  -8.043  -3.224   6.841
  446   2HG   GLU  48          1HG       GLU  48  -9.462  -2.236   6.504
  447    QB   GLU  48           QB       GLU  48  -9.508  -3.885   4.674
  448    QG   GLU  48           QG       GLU  48  -8.753  -2.730   6.673
  449    H    GLU  49           H        GLU  49  -8.810  -5.287   3.045
  450    HA   GLU  49           HA       GLU  49  -7.388  -7.631   3.541
  451   1HB   GLU  49          2HB       GLU  49  -9.058  -6.615   1.342
  452   2HB   GLU  49          1HB       GLU  49  -7.902  -7.850   0.844
  453   1HG   GLU  49          2HG       GLU  49  -9.655  -8.195   3.278
  454   2HG   GLU  49          1HG       GLU  49 -10.180  -8.691   1.669
  455    QB   GLU  49           QB       GLU  49  -8.480  -7.232   1.093
  456    QG   GLU  49           QG       GLU  49  -9.918  -8.443   2.474
  457    H    ALA  50           H        ALA  50  -6.555  -5.026   1.276
  458    HA   ALA  50           HA       ALA  50  -4.304  -6.293   0.068
  459   1HB   ALA  50          3HB       ALA  50  -5.410  -4.122  -0.664
  460   2HB   ALA  50          2HB       ALA  50  -4.557  -3.333   0.662
  461   3HB   ALA  50          1HB       ALA  50  -3.647  -4.091  -0.644
  462    QB   ALA  50           QB       ALA  50  -4.538  -3.849  -0.215
  463    H    MET  51           H        MET  51  -4.644  -4.372   3.030
  464    HA   MET  51           HA       MET  51  -1.801  -4.416   3.634
  465   1HB   MET  51          2HB       MET  51  -3.115  -2.634   4.583
  466   2HB   MET  51          1HB       MET  51  -4.253  -3.779   5.296
  467   1HG   MET  51          2HG       MET  51  -2.439  -4.673   6.728
  468   2HG   MET  51          1HG       MET  51  -1.325  -3.493   6.037
  469   1HE   MET  51          3HE       MET  51  -2.567  -1.087   5.551
  470   2HE   MET  51          2HE       MET  51  -2.805  -0.108   6.996
  471   3HE   MET  51          1HE       MET  51  -1.258  -0.905   6.726
  472    QB   MET  51           QB       MET  51  -3.684  -3.206   4.940
  473    QG   MET  51           QG       MET  51  -1.882  -4.083   6.382
  474    QE   MET  51           QE       MET  51  -2.210  -0.700   6.424
  475    H    ASP  52           H        ASP  52  -4.561  -6.469   4.320
  476    HA   ASP  52           HA       ASP  52  -3.457  -7.990   6.464
  477   1HB   ASP  52          2HB       ASP  52  -5.807  -8.203   5.885
  478   2HB   ASP  52          1HB       ASP  52  -5.397  -8.782   4.270
  479    QB   ASP  52           QB       ASP  52  -5.602  -8.493   5.078
  480    H    THR  53           H        THR  53  -3.312  -8.482   2.929
  481    HA   THR  53           HA       THR  53  -1.687 -10.861   3.099
  482    HB   THR  53           HB       THR  53  -1.297 -10.510   0.696
  483    HG1  THR  53          1HG       THR  53  -1.396  -8.020   1.295
  484   1HG2  THR  53          2HG2      THR  53  -3.491 -11.392   1.464
  485   2HG2  THR  53          1HG2      THR  53  -4.123  -9.746   1.476
  486   3HG2  THR  53          3HG2      THR  53  -3.621 -10.488  -0.044
  487    QG2  THR  53           QG2      THR  53  -3.745 -10.542   0.965
  488    H    CYS  54           H        CYS  54   0.403  -9.990   1.204
  489    HA   CYS  54           HA       CYS  54   2.522  -8.966   1.210
  490   1HB   CYS  54          1HB       CYS  54   1.143  -6.931   2.028
  491   2HB   CYS  54          2HB       CYS  54   1.661  -7.404   3.640
  492    QB   CYS  54           QB       CYS  54   1.402  -7.167   2.834
  493    HA   PRO  55           HA       PRO  55   4.140 -11.738   4.307
  494   1HB   PRO  55          2HB       PRO  55   6.693 -11.791   3.372
  495   2HB   PRO  55          1HB       PRO  55   5.385 -12.718   2.636
  496   1HG   PRO  55          2HG       PRO  55   6.597 -10.141   1.741
  497   2HG   PRO  55          1HG       PRO  55   6.006 -11.499   0.768
  498   1HD   PRO  55          2HD       PRO  55   4.609  -9.168   1.149
  499   2HD   PRO  55          1HD       PRO  55   3.852 -10.730   0.774
  500    QB   PRO  55           QB       PRO  55   6.039 -12.255   3.004
  501    QG   PRO  55           QG       PRO  55   6.301 -10.820   1.254
  502    QD   PRO  55           QD       PRO  55   4.230  -9.949   0.962
  503    H    VAL  56           H        VAL  56   5.886  -8.826   3.230
  504    HA   VAL  56           HA       VAL  56   6.949  -8.431   5.978
  505    HB   VAL  56           HB       VAL  56   8.075  -6.413   4.765
  506   1HG1  VAL  56          3HG1      VAL  56   8.814  -9.065   5.191
  507   2HG1  VAL  56          2HG1      VAL  56   9.211  -8.783   3.496
  508   3HG1  VAL  56          1HG1      VAL  56   9.897  -7.745   4.748
  509   1HG2  VAL  56          3HG2      VAL  56   6.411  -7.036   2.746
  510   2HG2  VAL  56          2HG2      VAL  56   7.992  -6.306   2.467
  511   3HG2  VAL  56          1HG2      VAL  56   7.782  -8.049   2.290
  512    QG1  VAL  56           QG1      VAL  56   9.307  -8.531   4.478
  513    QG2  VAL  56           QG2      VAL  56   7.395  -7.130   2.501
  514    QQG  VAL  56           QQG      VAL  56   8.351  -7.831   3.489
  515    H    GLN  57           H        GLN  57   4.458  -7.427   3.860
  516    HA   GLN  57           HA       GLN  57   2.605  -6.068   4.342
  517   1HB   GLN  57          2HB       GLN  57   3.800  -6.335   6.866
  518   2HB   GLN  57          1HB       GLN  57   3.566  -4.601   6.632
  519   1HG   GLN  57          2HG       GLN  57   1.213  -4.978   6.044
  520   2HG   GLN  57          1HG       GLN  57   1.435  -6.718   6.216
  521   1HE2  GLN  57          2HE2      GLN  57   1.057  -4.390   9.558
  522   2HE2  GLN  57          1HE2      GLN  57   1.238  -3.669   8.031
  523    QB   GLN  57           QB       GLN  57   3.683  -5.468   6.749
  524    QG   GLN  57           QG       GLN  57   1.324  -5.848   6.130
  525    QE2  GLN  57           QE2      GLN  57   1.147  -4.029   8.795
  526    H    CYS  58           H        CYS  58   5.572  -4.307   5.341
  527    HA   CYS  58           HA       CYS  58   6.133  -2.059   4.819
  528   1HB   CYS  58          2HB       CYS  58   6.522  -1.822   2.341
  529   2HB   CYS  58          1HB       CYS  58   7.239  -3.271   3.042
  530    HG   CYS  58           HG       CYS  58   5.687  -4.702   1.715
  531    QB   CYS  58           QB       CYS  58   6.880  -2.547   2.691
  532    H    ILE  59           H        ILE  59   3.403  -2.216   5.485
  533    HA   ILE  59           HA       ILE  59   2.340   0.021   3.862
  534    HB   ILE  59           HB       ILE  59   1.264  -1.747   2.693
  535   1HG1  ILE  59          2HG1      ILE  59  -1.045  -1.517   3.224
  536   2HG1  ILE  59          1HG1      ILE  59  -0.712  -1.294   4.940
  537   1HG2  ILE  59          3HG2      ILE  59   1.824  -3.195   5.064
  538   2HG2  ILE  59          2HG2      ILE  59   0.082  -3.293   4.814
  539   3HG2  ILE  59          1HG2      ILE  59   1.183  -3.824   3.547
  540   1HD1  ILE  59          3HD1      ILE  59   0.686   0.735   3.477
  541   2HD1  ILE  59          2HD1      ILE  59  -0.990   0.709   2.933
  542   3HD1  ILE  59          1HD1      ILE  59  -0.621   0.931   4.643
  543    QG1  ILE  59           QG1      ILE  59  -0.879  -1.406   4.082
  544    QG2  ILE  59           QG2      ILE  59   1.030  -3.437   4.475
  545    QD1  ILE  59           QD1      ILE  59  -0.309   0.792   3.684
  546    H    HIS  60           H        HIS  60   1.183   1.464   5.197
  547    HA   HIS  60           HA       HIS  60   0.097   0.473   7.747
  548   1HB   HIS  60          2HB       HIS  60   2.217   2.628   7.817
  549   2HB   HIS  60          1HB       HIS  60   1.450   1.830   9.188
  550    HD1  HIS  60          1HD       HIS  60   4.033   1.303   6.519
  551    HD2  HIS  60          2HD       HIS  60   2.409  -0.800   9.731
  552    HE1  HIS  60          1HE       HIS  60   5.518  -0.718   6.876
  553    QB   HIS  60           QB       HIS  60   1.834   2.229   8.503
  554    H    TRP  61           H        TRP  61  -1.062   2.227   8.942
  555    HA   TRP  61           HA       TRP  61  -2.380   4.013   7.005
  556   1HB   TRP  61          2HB       TRP  61  -2.950   3.615   9.952
  557   2HB   TRP  61          1HB       TRP  61  -3.959   4.482   8.811
  558    HD1  TRP  61           HD       TRP  61  -2.769   0.920   9.639
  559    HE1  TRP  61          1HE       TRP  61  -4.421  -0.736   8.544
  560    HE3  TRP  61          3HE       TRP  61  -5.620   4.184   7.026
  561    HZ2  TRP  61          2HZ       TRP  61  -6.681  -0.663   6.771
  562    HZ3  TRP  61          3HZ       TRP  61  -7.528   3.396   5.631
  563    HH2  TRP  61           HH       TRP  61  -8.058   0.974   5.504
  564    QB   TRP  61           QB       TRP  61  -3.455   4.049   9.382
  565    H    GLU  62           H        GLU  62  -2.994   6.263   8.282
  566    HA   GLU  62           HA       GLU  62  -0.614   7.352   9.647
  567   1HB   GLU  62          2HB       GLU  62   0.103   7.793   7.434
  568   2HB   GLU  62          1HB       GLU  62  -1.526   8.188   6.893
  569   1HG   GLU  62          2HG       GLU  62  -1.454  10.320   7.775
  570   2HG   GLU  62          1HG       GLU  62  -0.353   9.858   9.074
  571    QB   GLU  62           QB       GLU  62  -0.711   7.991   7.164
  572    QG   GLU  62           QG       GLU  62  -0.904  10.089   8.425
  573    H    ASP  63           H        ASP  63  -1.842   7.942  11.428
  574    HA   ASP  63           HA       ASP  63  -4.373   9.413  11.026
  575   1HB   ASP  63          2HB       ASP  63  -3.059   8.900  13.690
  576   2HB   ASP  63          1HB       ASP  63  -4.777   9.070  13.321
  577    QB   ASP  63           QB       ASP  63  -3.918   8.985  13.506
  578    H    GLU  64           H        GLU  64  -1.576  10.016  13.184
  579    HA   GLU  64           HA       GLU  64  -1.083  12.642  12.067
  580   1HB   GLU  64          2HB       GLU  64  -3.224  12.483  13.884
  581   2HB   GLU  64          1HB       GLU  64  -1.876  13.147  14.809
  582   1HG   GLU  64          2HG       GLU  64  -1.940  14.354  12.191
  583   2HG   GLU  64          1HG       GLU  64  -3.521  14.514  12.958
  584    QB   GLU  64           QB       GLU  64  -2.550  12.815  14.347
  585    QG   GLU  64           QG       GLU  64  -2.731  14.434  12.575
   
  No H/Q in entry =         585
  Start of MODEL   12
    1    HA   ALA   1           HA       ALA   1  -9.051  11.217  10.562
    2   1HB   ALA   1          2HB       ALA   1 -11.847  11.432  10.121
    3   2HB   ALA   1          1HB       ALA   1 -11.540   9.772  10.631
    4   3HB   ALA   1          3HB       ALA   1 -11.021  11.117  11.647
    5    QB   ALA   1           QB       ALA   1 -11.469  10.773  10.800
    6    H    ARG   2           H        ARG   2  -7.967   9.322  10.866
    7    HA   ARG   2           HA       ARG   2  -7.253   7.111  10.527
    8   1HB   ARG   2          2HB       ARG   2 -10.020   7.000  10.353
    9   2HB   ARG   2          1HB       ARG   2  -9.492   6.250   8.846
   10   1HG   ARG   2          2HG       ARG   2  -9.676   4.560  10.624
   11   2HG   ARG   2          1HG       ARG   2  -7.994   4.751  10.128
   12   1HD   ARG   2          2HD       ARG   2  -7.367   5.566  12.149
   13   2HD   ARG   2          1HD       ARG   2  -8.804   6.579  12.285
   14    HE   ARG   2           HE       ARG   2  -8.497   3.889  13.371
   15   1HH1  ARG   2          1HH1      ARG   2 -10.026   6.086  14.704
   16   2HH1  ARG   2          2HH1      ARG   2 -11.668   5.585  14.468
   17   1HH2  ARG   2          1HH2      ARG   2 -10.892   3.310  11.970
   18   2HH2  ARG   2          2HH2      ARG   2 -12.157   4.014  12.919
   19    QB   ARG   2           QB       ARG   2  -9.756   6.625   9.599
   20    QG   ARG   2           QG       ARG   2  -8.835   4.656  10.376
   21    QD   ARG   2           QD       ARG   2  -8.086   6.072  12.217
   22    QH1  ARG   2           QH1      ARG   2 -10.847   5.835  14.586
   23    QH2  ARG   2           QH2      ARG   2 -11.524   3.662  12.444
   24    H    LYS   3           H        LYS   3  -5.535   7.573   9.129
   25    HA   LYS   3           HA       LYS   3  -6.180   7.524   6.208
   26   1HB   LYS   3          2HB       LYS   3  -4.925   9.538   7.439
   27   2HB   LYS   3          1HB       LYS   3  -3.529   8.488   7.192
   28   1HG   LYS   3          2HG       LYS   3  -3.425   9.316   5.095
   29   2HG   LYS   3          1HG       LYS   3  -4.881   8.380   4.757
   30   1HD   LYS   3          2HD       LYS   3  -6.300  10.221   5.102
   31   2HD   LYS   3          1HD       LYS   3  -5.083  11.104   6.025
   32   1HE   LYS   3          2HE       LYS   3  -4.182  10.459   3.318
   33   2HE   LYS   3          1HE       LYS   3  -5.635  11.459   3.329
   34   1HZ   LYS   3          1HZ       LYS   3  -4.409  12.854   5.035
   35   2HZ   LYS   3          3HZ       LYS   3  -3.008  12.029   4.556
   36   3HZ   LYS   3          2HZ       LYS   3  -3.873  12.959   3.428
   37    QB   LYS   3           QB       LYS   3  -4.227   9.013   7.316
   38    QG   LYS   3           QG       LYS   3  -4.153   8.848   4.926
   39    QD   LYS   3           QD       LYS   3  -5.691  10.662   5.564
   40    QE   LYS   3           QE       LYS   3  -4.909  10.959   3.324
   41    QZ   LYS   3           QZ       LYS   3  -3.763  12.614   4.340
   42    H    PHE   4           H        PHE   4  -3.415   7.059   5.458
   43    HA   PHE   4           HA       PHE   4  -2.238   4.805   6.698
   44   1HB   PHE   4          2HB       PHE   4  -3.028   2.968   5.279
   45   2HB   PHE   4          1HB       PHE   4  -4.390   3.698   6.127
   46    HD1  PHE   4          1HD       PHE   4  -6.251   4.450   4.915
   47    HD2  PHE   4          2HD       PHE   4  -2.491   3.926   2.904
   48    HE1  PHE   4          1HE       PHE   4  -7.343   4.944   2.744
   49    HE2  PHE   4          2HE       PHE   4  -3.584   4.420   0.733
   50    HZ   PHE   4           HZ       PHE   4  -6.010   4.930   0.653
   51    QB   PHE   4           QB       PHE   4  -3.709   3.333   5.703
   52    QD   PHE   4           QD       PHE   4  -4.371   4.188   3.910
   53    QE   PHE   4           QE       PHE   4  -5.464   4.682   1.738
   54    QR   PHE   4           QR       PHE   4  -5.136   4.534   2.390
   55    H    TYR   5           H        TYR   5  -0.843   3.543   4.999
   56    HA   TYR   5           HA       TYR   5  -0.281   4.558   2.434
   57   1HB   TYR   5          2HB       TYR   5   1.656   5.946   2.748
   58   2HB   TYR   5          1HB       TYR   5   0.390   6.617   3.756
   59    HD1  TYR   5          1HD       TYR   5   3.744   5.970   3.750
   60    HD2  TYR   5          2HD       TYR   5   0.278   5.205   6.169
   61    HE1  TYR   5          1HE       TYR   5   5.197   5.687   5.740
   62    HE2  TYR   5          2HE       TYR   5   1.731   4.919   8.160
   63    HH   TYR   5           HH       TYR   5   5.252   4.913   7.878
   64    QB   TYR   5           QB       TYR   5   1.023   6.281   3.252
   65    QD   TYR   5           QD       TYR   5   2.011   5.587   4.960
   66    QE   TYR   5           QE       TYR   5   3.464   5.303   6.950
   67    QR   TYR   5           QR       TYR   5   2.738   5.445   5.955
   68    H    VAL   6           H        VAL   6   2.389   4.068   2.165
   69    HA   VAL   6           HA       VAL   6   2.775   1.540   3.696
   70    HB   VAL   6           HB       VAL   6   3.700   1.449   0.898
   71   1HG1  VAL   6          3HG1      VAL   6   3.202  -0.231   3.102
   72   2HG1  VAL   6          2HG1      VAL   6   2.021  -0.686   1.873
   73   3HG1  VAL   6          1HG1      VAL   6   3.745  -0.710   1.496
   74   1HG2  VAL   6          2HG2      VAL   6   0.882   2.010   1.586
   75   2HG2  VAL   6          1HG2      VAL   6   1.679   2.055   0.018
   76   3HG2  VAL   6          3HG2      VAL   6   1.091   0.528   0.666
   77    QG1  VAL   6           QG1      VAL   6   2.989  -0.542   2.157
   78    QG2  VAL   6           QG2      VAL   6   1.217   1.531   0.757
   79    QQG  VAL   6           QQG      VAL   6   2.103   0.494   1.457
   80    H    ASP   7           H        ASP   7   4.991   0.600   3.084
   81    HA   ASP   7           HA       ASP   7   6.992   2.777   2.900
   82   1HB   ASP   7          2HB       ASP   7   6.435   1.255   5.183
   83   2HB   ASP   7          1HB       ASP   7   7.924   0.587   4.528
   84    QB   ASP   7           QB       ASP   7   7.179   0.921   4.855
   85    H    GLN   8           H        GLN   8   7.390   2.287   0.803
   86    HA   GLN   8           HA       GLN   8   7.837  -0.350  -0.222
   87   1HB   GLN   8          2HB       GLN   8   9.140   2.142  -1.290
   88   2HB   GLN   8          1HB       GLN   8   8.692   0.671  -2.139
   89   1HG   GLN   8          2HG       GLN   8   6.825   1.839  -2.719
   90   2HG   GLN   8          1HG       GLN   8   6.285   1.411  -1.096
   91   1HE2  GLN   8          2HE2      GLN   8   6.144   4.776  -0.119
   92   2HE2  GLN   8          1HE2      GLN   8   5.544   3.196   0.039
   93    QB   GLN   8           QB       GLN   8   8.916   1.406  -1.714
   94    QG   GLN   8           QG       GLN   8   6.555   1.625  -1.907
   95    QE2  GLN   8           QE2      GLN   8   5.844   3.986  -0.040
   96    H    ASP   9           H        ASP   9   9.242  -0.216   2.128
   97    HA   ASP   9           HA       ASP   9  12.102  -0.173   1.279
   98   1HB   ASP   9          2HB       ASP   9  10.970   1.102   3.434
   99   2HB   ASP   9          1HB       ASP   9  11.515  -0.410   4.163
  100    QB   ASP   9           QB       ASP   9  11.243   0.346   3.798
  101    H    GLU  10           H        GLU  10   9.687  -1.972   3.170
  102    HA   GLU  10           HA       GLU  10  11.431  -4.361   3.201
  103   1HB   GLU  10          2HB       GLU  10   9.292  -3.374   4.828
  104   2HB   GLU  10          1HB       GLU  10   8.778  -4.913   4.137
  105   1HG   GLU  10          2HG       GLU  10   9.936  -5.379   6.211
  106   2HG   GLU  10          1HG       GLU  10  10.970  -5.900   4.881
  107    QB   GLU  10           QB       GLU  10   9.035  -4.143   4.483
  108    QG   GLU  10           QG       GLU  10  10.453  -5.640   5.546
  109    H    CYS  11           H        CYS  11   9.214  -2.915   1.134
  110    HA   CYS  11           HA       CYS  11   7.709  -5.135   0.171
  111   1HB   CYS  11          1HB       CYS  11   7.111  -2.831  -0.401
  112   2HB   CYS  11          2HB       CYS  11   8.633  -2.631  -1.271
  113    QB   CYS  11           QB       CYS  11   7.872  -2.731  -0.836
  114    H    ILE  12           H        ILE  12   8.115  -6.606  -1.487
  115    HA   ILE  12           HA       ILE  12  10.979  -6.849  -2.266
  116    HB   ILE  12           HB       ILE  12  10.202  -9.194  -2.976
  117   1HG1  ILE  12          2HG1      ILE  12   7.909  -8.822  -1.096
  118   2HG1  ILE  12          1HG1      ILE  12   7.708  -8.227  -2.744
  119   1HG2  ILE  12          3HG2      ILE  12  11.255  -8.318  -0.685
  120   2HG2  ILE  12          2HG2      ILE  12   9.692  -8.836  -0.054
  121   3HG2  ILE  12          1HG2      ILE  12  10.738  -9.993  -0.877
  122   1HD1  ILE  12          2HD1      ILE  12   8.788 -10.993  -2.247
  123   2HD1  ILE  12          1HD1      ILE  12   7.049 -10.695  -2.226
  124   3HD1  ILE  12          3HD1      ILE  12   7.984 -10.361  -3.684
  125    QG1  ILE  12           QG1      ILE  12   7.808  -8.524  -1.920
  126    QG2  ILE  12           QG2      ILE  12  10.561  -9.049  -0.539
  127    QD1  ILE  12           QD1      ILE  12   7.940 -10.683  -2.719
  128    H    ALA  13           H        ALA  13   8.959  -8.645  -4.311
  129    HA   ALA  13           HA       ALA  13   8.787  -6.423  -6.282
  130   1HB   ALA  13          2HB       ALA  13  10.833  -7.794  -6.727
  131   2HB   ALA  13          1HB       ALA  13   9.801  -9.212  -6.909
  132   3HB   ALA  13          3HB       ALA  13   9.659  -7.869  -8.042
  133    QB   ALA  13           QB       ALA  13  10.098  -8.292  -7.226
  134    H    CYS  14           H        CYS  14   6.838  -7.911  -4.532
  135    HA   CYS  14           HA       CYS  14   5.228  -9.288  -6.621
  136   1HB   CYS  14          1HB       CYS  14   4.517 -10.665  -4.992
  137   2HB   CYS  14          2HB       CYS  14   5.737  -9.926  -3.954
  138    QB   CYS  14           QB       CYS  14   5.127 -10.296  -4.473
  139    H    GLU  15           H        GLU  15   3.059  -8.663  -7.004
  140    HA   GLU  15           HA       GLU  15   2.455  -5.861  -6.162
  141   1HB   GLU  15          2HB       GLU  15   0.841  -6.032  -8.187
  142   2HB   GLU  15          1HB       GLU  15   2.568  -5.905  -8.521
  143   1HG   GLU  15          2HG       GLU  15   1.397  -8.635  -8.168
  144   2HG   GLU  15          1HG       GLU  15   1.088  -7.785  -9.683
  145    QB   GLU  15           QB       GLU  15   1.705  -5.969  -8.354
  146    QG   GLU  15           QG       GLU  15   1.242  -8.210  -8.926
  147    H    SER  16           H        SER  16   1.824  -8.584  -4.829
  148    HA   SER  16           HA       SER  16  -0.840  -9.321  -4.948
  149   1HB   SER  16          2HB       SER  16   0.756  -8.849  -2.412
  150   2HB   SER  16          1HB       SER  16  -0.709  -9.820  -2.527
  151    HG   SER  16           HG       SER  16   0.427 -11.385  -3.350
  152    QB   SER  16           QB       SER  16   0.024  -9.334  -2.469
  153    H    CYS  17           H        CYS  17   0.279  -6.873  -2.586
  154    HA   CYS  17           HA       CYS  17  -2.212  -5.839  -1.885
  155   1HB   CYS  17          1HB       CYS  17  -1.068  -3.850  -1.181
  156   2HB   CYS  17          2HB       CYS  17   0.047  -5.190  -0.929
  157    QB   CYS  17           QB       CYS  17  -0.511  -4.520  -1.055
  158    H    VAL  18           H        VAL  18  -0.149  -4.829  -4.614
  159    HA   VAL  18           HA       VAL  18  -1.714  -2.748  -5.636
  160    HB   VAL  18           HB       VAL  18  -0.274  -4.887  -7.232
  161   1HG1  VAL  18          1HG1      VAL  18  -1.919  -3.350  -8.444
  162   2HG1  VAL  18          3HG1      VAL  18  -0.848  -2.019  -8.006
  163   3HG1  VAL  18          2HG1      VAL  18  -0.259  -3.322  -9.039
  164   1HG2  VAL  18          3HG2      VAL  18   0.612  -2.489  -5.691
  165   2HG2  VAL  18          2HG2      VAL  18   1.451  -4.014  -5.973
  166   3HG2  VAL  18          1HG2      VAL  18   1.399  -2.789  -7.241
  167    QG1  VAL  18           QG1      VAL  18  -1.008  -2.897  -8.496
  168    QG2  VAL  18           QG2      VAL  18   1.154  -3.097  -6.302
  169    QQG  VAL  18           QQG      VAL  18   0.073  -2.997  -7.399
  170    H    GLU  19           H        GLU  19  -2.284  -6.223  -5.782
  171    HA   GLU  19           HA       GLU  19  -4.454  -5.972  -7.709
  172   1HB   GLU  19          2HB       GLU  19  -3.230  -8.175  -6.122
  173   2HB   GLU  19          1HB       GLU  19  -4.912  -8.391  -6.609
  174   1HG   GLU  19          2HG       GLU  19  -3.020  -7.398  -8.686
  175   2HG   GLU  19          1HG       GLU  19  -2.873  -9.089  -8.207
  176    QB   GLU  19           QB       GLU  19  -4.071  -8.283  -6.366
  177    QG   GLU  19           QG       GLU  19  -2.946  -8.243  -8.446
  178    H    ILE  20           H        ILE  20  -4.171  -6.088  -4.201
  179    HA   ILE  20           HA       ILE  20  -7.080  -6.173  -3.851
  180    HB   ILE  20           HB       ILE  20  -4.835  -5.637  -1.906
  181   1HG1  ILE  20          2HG1      ILE  20  -6.269  -7.906  -1.268
  182   2HG1  ILE  20          1HG1      ILE  20  -5.979  -7.982  -2.990
  183   1HG2  ILE  20          1HG2      ILE  20  -7.798  -5.578  -1.625
  184   2HG2  ILE  20          3HG2      ILE  20  -6.847  -6.250  -0.301
  185   3HG2  ILE  20          2HG2      ILE  20  -6.587  -4.585  -0.820
  186   1HD1  ILE  20          1HD1      ILE  20  -3.587  -7.064  -1.797
  187   2HD1  ILE  20          3HD1      ILE  20  -4.129  -8.450  -0.854
  188   3HD1  ILE  20          2HD1      ILE  20  -3.862  -8.616  -2.589
  189    QG1  ILE  20           QG1      ILE  20  -6.124  -7.944  -2.129
  190    QG2  ILE  20           QG2      ILE  20  -7.077  -5.471  -0.915
  191    QD1  ILE  20           QD1      ILE  20  -3.860  -8.043  -1.747
  192    H    ALA  21           H        ALA  21  -5.136  -3.901  -5.120
  193    HA   ALA  21           HA       ALA  21  -7.009  -1.754  -4.715
  194   1HB   ALA  21          1HB       ALA  21  -4.654  -1.916  -2.907
  195   2HB   ALA  21          3HB       ALA  21  -4.978  -0.338  -3.626
  196   3HB   ALA  21          2HB       ALA  21  -6.215  -1.135  -2.655
  197    QB   ALA  21           QB       ALA  21  -5.283  -1.130  -3.063
  198    HA   PRO  22           HA       PRO  22  -3.978  -1.650  -8.255
  199   1HB   PRO  22          2HB       PRO  22  -5.830  -1.867 -10.235
  200   2HB   PRO  22          1HB       PRO  22  -5.064  -3.264  -9.475
  201   1HG   PRO  22          2HG       PRO  22  -7.766  -2.090  -8.965
  202   2HG   PRO  22          1HG       PRO  22  -7.279  -3.792  -9.017
  203   1HD   PRO  22          2HD       PRO  22  -7.689  -2.425  -6.693
  204   2HD   PRO  22          1HD       PRO  22  -6.560  -3.790  -6.836
  205    QB   PRO  22           QB       PRO  22  -5.447  -2.565  -9.855
  206    QG   PRO  22           QG       PRO  22  -7.523  -2.941  -8.991
  207    QD   PRO  22           QD       PRO  22  -7.125  -3.108  -6.765
  208    H    GLY  23           H        GLY  23  -4.182   0.589  -7.104
  209   1HA   GLY  23          2HA       GLY  23  -4.693   2.604  -9.030
  210   2HA   GLY  23          1HA       GLY  23  -6.095   2.525  -7.957
  211    QA   GLY  23           QA       GLY  23  -5.394   2.565  -8.493
  212    H    ALA  24           H        ALA  24  -4.841   1.865  -5.555
  213    HA   ALA  24           HA       ALA  24  -3.511   4.438  -4.931
  214   1HB   ALA  24          1HB       ALA  24  -5.451   3.259  -3.576
  215   2HB   ALA  24          3HB       ALA  24  -4.120   2.335  -2.877
  216   3HB   ALA  24          2HB       ALA  24  -4.154   4.091  -2.718
  217    QB   ALA  24           QB       ALA  24  -4.575   3.228  -3.057
  218    H    PHE  25           H        PHE  25  -2.889   0.975  -5.013
  219    HA   PHE  25           HA       PHE  25  -0.110   1.479  -4.043
  220   1HB   PHE  25          2HB       PHE  25  -1.948  -0.510  -3.387
  221   2HB   PHE  25          1HB       PHE  25  -0.887  -1.310  -4.540
  222    HD1  PHE  25          1HD       PHE  25  -1.113  -2.075  -1.649
  223    HD2  PHE  25          2HD       PHE  25   1.502   0.700  -3.621
  224    HE1  PHE  25          1HE       PHE  25   0.591  -2.422   0.119
  225    HE2  PHE  25          2HE       PHE  25   3.194   0.354  -1.842
  226    HZ   PHE  25           HZ       PHE  25   2.748  -1.209   0.011
  227    QB   PHE  25           QB       PHE  25  -1.418  -0.910  -3.963
  228    QD   PHE  25           QD       PHE  25   0.194  -0.688  -2.635
  229    QE   PHE  25           QE       PHE  25   1.893  -1.034  -0.861
  230    QR   PHE  25           QR       PHE  25   1.384  -0.931  -1.396
  231    H    ALA  26           H        ALA  26   1.630   0.985  -5.419
  232    HA   ALA  26           HA       ALA  26   1.431  -0.574  -7.813
  233   1HB   ALA  26          3HB       ALA  26   0.752   2.295  -7.997
  234   2HB   ALA  26          2HB       ALA  26   1.955   1.749  -9.165
  235   3HB   ALA  26          1HB       ALA  26   0.371   0.977  -9.105
  236    QB   ALA  26           QB       ALA  26   1.026   1.674  -8.756
  237    H    MET  27           H        MET  27   3.501  -1.254  -8.130
  238    HA   MET  27           HA       MET  27   5.701  -0.234  -6.674
  239   1HB   MET  27          2HB       MET  27   5.892  -1.695  -9.312
  240   2HB   MET  27          1HB       MET  27   7.092  -1.668  -8.020
  241   1HG   MET  27          2HG       MET  27   5.999  -3.249  -6.806
  242   2HG   MET  27          1HG       MET  27   4.413  -2.572  -7.174
  243   1HE   MET  27          1HE       MET  27   7.053  -5.154  -7.866
  244   2HE   MET  27          3HE       MET  27   5.574  -5.669  -7.044
  245   3HE   MET  27          2HE       MET  27   6.003  -6.361  -8.605
  246    QB   MET  27           QB       MET  27   6.492  -1.682  -8.666
  247    QG   MET  27           QG       MET  27   5.206  -2.911  -6.990
  248    QE   MET  27           QE       MET  27   6.210  -5.728  -7.838
  249    H    ASP  28           H        ASP  28   7.610   1.040  -7.421
  250    HA   ASP  28           HA       ASP  28   6.901   2.667  -9.838
  251   1HB   ASP  28          2HB       ASP  28   6.987   3.599  -7.223
  252   2HB   ASP  28          1HB       ASP  28   8.591   3.978  -7.846
  253    QB   ASP  28           QB       ASP  28   7.789   3.788  -7.534
  254    HA   PRO  29           HA       PRO  29  11.000   1.595 -10.989
  255   1HB   PRO  29          2HB       PRO  29  11.658   3.663 -12.619
  256   2HB   PRO  29          1HB       PRO  29  10.473   2.438 -13.069
  257   1HG   PRO  29          2HG       PRO  29  10.037   5.241 -12.258
  258   2HG   PRO  29          1HG       PRO  29   9.002   4.178 -13.220
  259   1HD   PRO  29          2HD       PRO  29   8.702   4.860 -10.478
  260   2HD   PRO  29          1HD       PRO  29   7.751   3.689 -11.401
  261    QB   PRO  29           QB       PRO  29  11.065   3.050 -12.844
  262    QG   PRO  29           QG       PRO  29   9.519   4.710 -12.739
  263    QD   PRO  29           QD       PRO  29   8.227   4.274 -10.939
  264    H    GLU  30           H        GLU  30  10.291   4.493  -9.335
  265    HA   GLU  30           HA       GLU  30  13.123   5.210  -8.854
  266   1HB   GLU  30          2HB       GLU  30  10.769   6.693  -8.902
  267   2HB   GLU  30          1HB       GLU  30  11.105   6.526  -7.179
  268   1HG   GLU  30          2HG       GLU  30  13.555   7.163  -7.872
  269   2HG   GLU  30          1HG       GLU  30  12.779   7.820  -9.313
  270    QB   GLU  30           QB       GLU  30  10.937   6.610  -8.040
  271    QG   GLU  30           QG       GLU  30  13.167   7.492  -8.592
  272    H    ILE  31           H        ILE  31  10.336   3.759  -7.295
  273    HA   ILE  31           HA       ILE  31  12.007   3.106  -4.945
  274    HB   ILE  31           HB       ILE  31   9.651   2.315  -4.075
  275   1HG1  ILE  31          2HG1      ILE  31   8.980   4.430  -6.134
  276   2HG1  ILE  31          1HG1      ILE  31   8.537   2.729  -6.248
  277   1HG2  ILE  31          2HG2      ILE  31  11.250   4.384  -3.495
  278   2HG2  ILE  31          1HG2      ILE  31   9.909   5.286  -4.202
  279   3HG2  ILE  31          3HG2      ILE  31   9.632   4.241  -2.809
  280   1HD1  ILE  31          2HD1      ILE  31   7.594   3.329  -3.764
  281   2HD1  ILE  31          1HD1      ILE  31   7.372   4.877  -4.579
  282   3HD1  ILE  31          3HD1      ILE  31   6.618   3.422  -5.230
  283    QG1  ILE  31           QG1      ILE  31   8.759   3.579  -6.191
  284    QG2  ILE  31           QG2      ILE  31  10.264   4.637  -3.502
  285    QD1  ILE  31           QD1      ILE  31   7.194   3.876  -4.524
  286    H    GLU  32           H        GLU  32  11.130   1.873  -7.835
  287    HA   GLU  32           HA       GLU  32  10.697  -0.312  -8.628
  288   1HB   GLU  32          2HB       GLU  32  13.234  -0.170  -7.115
  289   2HB   GLU  32          1HB       GLU  32  12.623  -1.807  -7.361
  290   1HG   GLU  32          2HG       GLU  32  12.432  -0.112  -9.756
  291   2HG   GLU  32          1HG       GLU  32  14.088  -0.381  -9.211
  292    QB   GLU  32           QB       GLU  32  12.928  -0.989  -7.238
  293    QG   GLU  32           QG       GLU  32  13.260  -0.247  -9.483
  294    H    LYS  33           H        LYS  33   9.058   0.406  -6.431
  295    HA   LYS  33           HA       LYS  33   8.372  -2.304  -5.472
  296   1HB   LYS  33          2HB       LYS  33   9.889  -0.435  -3.777
  297   2HB   LYS  33          1HB       LYS  33   8.443  -1.091  -3.018
  298   1HG   LYS  33          2HG       LYS  33   9.254  -3.237  -3.001
  299   2HG   LYS  33          1HG       LYS  33  10.163  -3.017  -4.498
  300   1HD   LYS  33          2HD       LYS  33  11.139  -1.315  -2.324
  301   2HD   LYS  33          1HD       LYS  33  11.248  -3.033  -1.946
  302   1HE   LYS  33          2HE       LYS  33  12.592  -3.479  -3.854
  303   2HE   LYS  33          1HE       LYS  33  12.204  -1.923  -4.587
  304   1HZ   LYS  33          2HZ       LYS  33  13.265  -1.291  -2.150
  305   2HZ   LYS  33          1HZ       LYS  33  14.237  -2.574  -2.692
  306   3HZ   LYS  33          3HZ       LYS  33  14.060  -1.184  -3.648
  307    QB   LYS  33           QB       LYS  33   9.166  -0.763  -3.397
  308    QG   LYS  33           QG       LYS  33   9.708  -3.127  -3.749
  309    QD   LYS  33           QD       LYS  33  11.194  -2.174  -2.135
  310    QE   LYS  33           QE       LYS  33  12.398  -2.701  -4.220
  311    QZ   LYS  33           QZ       LYS  33  13.854  -1.683  -2.830
  312    H    ALA  34           H        ALA  34   6.275  -2.416  -4.606
  313    HA   ALA  34           HA       ALA  34   4.347  -0.590  -5.519
  314   1HB   ALA  34          2HB       ALA  34   4.366  -2.973  -3.989
  315   2HB   ALA  34          1HB       ALA  34   3.429  -1.793  -3.072
  316   3HB   ALA  34          3HB       ALA  34   2.976  -2.183  -4.732
  317    QB   ALA  34           QB       ALA  34   3.590  -2.317  -3.931
  318    H    TYR  35           H        TYR  35   3.249   1.131  -4.563
  319    HA   TYR  35           HA       TYR  35   3.981   2.032  -1.847
  320   1HB   TYR  35          2HB       TYR  35   4.887   4.123  -2.440
  321   2HB   TYR  35          1HB       TYR  35   5.658   3.003  -3.551
  322    HD1  TYR  35          1HD       TYR  35   3.059   2.669  -5.314
  323    HD2  TYR  35          2HD       TYR  35   5.236   6.062  -3.848
  324    HE1  TYR  35          1HE       TYR  35   2.261   4.001  -7.235
  325    HE2  TYR  35          2HE       TYR  35   4.429   7.404  -5.770
  326    HH   TYR  35           HH       TYR  35   3.500   6.470  -8.398
  327    QB   TYR  35           QB       TYR  35   5.272   3.563  -2.995
  328    QD   TYR  35           QD       TYR  35   4.148   4.365  -4.581
  329    QE   TYR  35           QE       TYR  35   3.345   5.702  -6.502
  330    QR   TYR  35           QR       TYR  35   3.746   5.034  -5.542
  331    H    VAL  36           H        VAL  36   2.438   3.421  -0.948
  332    HA   VAL  36           HA       VAL  36  -0.168   3.345  -2.326
  333    HB   VAL  36           HB       VAL  36   0.800   3.646   0.463
  334   1HG1  VAL  36          1HG1      VAL  36  -1.400   5.323  -0.637
  335   2HG1  VAL  36          3HG1      VAL  36  -1.669   4.545   0.923
  336   3HG1  VAL  36          2HG1      VAL  36  -0.305   5.643   0.707
  337   1HG2  VAL  36          2HG2      VAL  36  -0.307   1.619  -0.548
  338   2HG2  VAL  36          1HG2      VAL  36  -1.095   2.218   0.911
  339   3HG2  VAL  36          3HG2      VAL  36  -1.791   2.564  -0.671
  340    QG1  VAL  36           QG1      VAL  36  -1.125   5.171   0.331
  341    QG2  VAL  36           QG2      VAL  36  -1.064   2.134  -0.102
  342    QQG  VAL  36           QQG      VAL  36  -1.095   3.652   0.114
  343    H    LYS  37           H        LYS  37  -0.048   4.923  -3.928
  344    HA   LYS  37           HA       LYS  37   0.688   7.682  -3.045
  345   1HB   LYS  37          2HB       LYS  37   0.993   8.172  -5.433
  346   2HB   LYS  37          1HB       LYS  37   1.950   6.770  -4.959
  347   1HG   LYS  37          2HG       LYS  37   0.780   5.377  -6.307
  348   2HG   LYS  37          1HG       LYS  37  -0.765   6.070  -5.821
  349   1HD   LYS  37          2HD       LYS  37  -0.798   7.556  -7.553
  350   2HD   LYS  37          1HD       LYS  37   0.945   7.816  -7.493
  351   1HE   LYS  37          2HE       LYS  37   1.139   6.471  -9.287
  352   2HE   LYS  37          1HE       LYS  37   0.618   5.130  -8.269
  353   1HZ   LYS  37          1HZ       LYS  37  -1.720   6.240  -8.797
  354   2HZ   LYS  37          3HZ       LYS  37  -0.894   6.686 -10.209
  355   3HZ   LYS  37          2HZ       LYS  37  -1.027   5.046  -9.788
  356    QB   LYS  37           QB       LYS  37   1.471   7.471  -5.196
  357    QG   LYS  37           QG       LYS  37   0.007   5.723  -6.064
  358    QD   LYS  37           QD       LYS  37   0.074   7.686  -7.523
  359    QE   LYS  37           QE       LYS  37   0.879   5.801  -8.778
  360    QZ   LYS  37           QZ       LYS  37  -1.214   5.991  -9.598
  361    H    ASP  38           H        ASP  38  -1.957   5.786  -4.388
  362    HA   ASP  38           HA       ASP  38  -3.598   8.289  -4.360
  363   1HB   ASP  38          2HB       ASP  38  -3.309   7.451  -6.646
  364   2HB   ASP  38          1HB       ASP  38  -3.894   5.862  -6.150
  365    QB   ASP  38           QB       ASP  38  -3.601   6.657  -6.398
  366    H    VAL  39           H        VAL  39  -4.006   7.705  -2.062
  367    HA   VAL  39           HA       VAL  39  -5.114   5.362  -1.070
  368    HB   VAL  39           HB       VAL  39  -6.375   6.787   0.535
  369   1HG1  VAL  39          3HG1      VAL  39  -3.645   6.562   0.227
  370   2HG1  VAL  39          2HG1      VAL  39  -3.868   8.309   0.338
  371   3HG1  VAL  39          1HG1      VAL  39  -4.448   7.262   1.634
  372   1HG2  VAL  39          1HG2      VAL  39  -5.556   8.935  -1.432
  373   2HG2  VAL  39          3HG2      VAL  39  -7.177   8.560  -0.847
  374   3HG2  VAL  39          2HG2      VAL  39  -6.000   9.307   0.233
  375    QG1  VAL  39           QG1      VAL  39  -3.987   7.378   0.733
  376    QG2  VAL  39           QG2      VAL  39  -6.245   8.934  -0.682
  377    QQG  VAL  39           QQG      VAL  39  -5.116   8.156   0.025
  378    H    GLU  40           H        GLU  40  -6.865   7.991  -2.736
  379    HA   GLU  40           HA       GLU  40  -9.454   6.838  -2.606
  380   1HB   GLU  40          2HB       GLU  40  -8.121   8.942  -4.156
  381   2HB   GLU  40          1HB       GLU  40  -9.403   8.131  -5.055
  382   1HG   GLU  40          2HG       GLU  40 -11.025   8.620  -3.358
  383   2HG   GLU  40          1HG       GLU  40  -9.777   9.164  -2.235
  384    QB   GLU  40           QB       GLU  40  -8.762   8.536  -4.605
  385    QG   GLU  40           QG       GLU  40 -10.401   8.892  -2.797
  386    H    GLY  41           H        GLY  41  -6.690   6.033  -4.569
  387   1HA   GLY  41          2HA       GLY  41  -7.904   4.735  -6.756
  388   2HA   GLY  41          1HA       GLY  41  -6.361   4.243  -6.054
  389    QA   GLY  41           QA       GLY  41  -7.133   4.489  -6.405
  390    H    ALA  42           H        ALA  42  -7.719   3.784  -3.403
  391    HA   ALA  42           HA       ALA  42  -9.442   1.452  -4.030
  392   1HB   ALA  42          1HB       ALA  42  -6.932   0.807  -3.840
  393   2HB   ALA  42          3HB       ALA  42  -7.133   1.130  -2.118
  394   3HB   ALA  42          2HB       ALA  42  -8.098  -0.123  -2.898
  395    QB   ALA  42           QB       ALA  42  -7.388   0.605  -2.952
  396    H    SER  43           H        SER  43 -10.889   0.971  -2.342
  397    HA   SER  43           HA       SER  43 -11.436   3.093  -0.477
  398   1HB   SER  43          2HB       SER  43 -12.622   0.563   0.295
  399   2HB   SER  43          1HB       SER  43 -13.408   2.022  -0.297
  400    HG   SER  43           HG       SER  43 -13.293   1.285  -2.312
  401    QB   SER  43           QB       SER  43 -13.015   1.293  -0.001
  402    H    GLN  44           H        GLN  44 -11.642   2.603   1.944
  403    HA   GLN  44           HA       GLN  44  -9.055   1.912   2.981
  404   1HB   GLN  44          2HB       GLN  44 -11.676   2.731   4.084
  405   2HB   GLN  44          1HB       GLN  44 -10.683   1.754   5.167
  406   1HG   GLN  44          2HG       GLN  44  -9.666   3.720   5.677
  407   2HG   GLN  44          1HG       GLN  44  -8.830   3.501   4.139
  408   1HE2  GLN  44          2HE2      GLN  44 -11.643   6.418   4.509
  409   2HE2  GLN  44          1HE2      GLN  44 -11.330   5.346   5.787
  410    QB   GLN  44           QB       GLN  44 -11.179   2.243   4.625
  411    QG   GLN  44           QG       GLN  44  -9.248   3.611   4.908
  412    QE2  GLN  44           QE2      GLN  44 -11.487   5.882   5.148
  413    H    GLU  45           H        GLU  45 -12.195   0.194   3.055
  414    HA   GLU  45           HA       GLU  45 -11.244  -2.107   4.449
  415   1HB   GLU  45          2HB       GLU  45 -13.512  -1.707   2.485
  416   2HB   GLU  45          1HB       GLU  45 -13.200  -3.261   3.261
  417   1HG   GLU  45          2HG       GLU  45 -13.347  -0.817   4.983
  418   2HG   GLU  45          1HG       GLU  45 -14.852  -1.505   4.370
  419    QB   GLU  45           QB       GLU  45 -13.356  -2.484   2.873
  420    QG   GLU  45           QG       GLU  45 -14.100  -1.161   4.676
  421    H    GLU  46           H        GLU  46 -10.656  -0.984   1.259
  422    HA   GLU  46           HA       GLU  46  -9.867  -3.669   0.261
  423   1HB   GLU  46          2HB       GLU  46  -9.589  -0.972  -1.105
  424   2HB   GLU  46          1HB       GLU  46  -9.489  -2.561  -1.858
  425   1HG   GLU  46          2HG       GLU  46 -11.865  -2.977  -1.191
  426   2HG   GLU  46          1HG       GLU  46 -11.940  -1.322  -0.583
  427    QB   GLU  46           QB       GLU  46  -9.539  -1.766  -1.482
  428    QG   GLU  46           QG       GLU  46 -11.902  -2.150  -0.887
  429    H    VAL  47           H        VAL  47  -8.561  -0.489   0.973
  430    HA   VAL  47           HA       VAL  47  -5.823  -0.995   0.504
  431    HB   VAL  47           HB       VAL  47  -7.336   0.829   2.373
  432   1HG1  VAL  47          2HG1      VAL  47  -4.621  -0.046   2.722
  433   2HG1  VAL  47          1HG1      VAL  47  -4.637   1.655   2.261
  434   3HG1  VAL  47          3HG1      VAL  47  -5.541   1.118   3.674
  435   1HG2  VAL  47          3HG2      VAL  47  -6.563   0.942  -0.311
  436   2HG2  VAL  47          2HG2      VAL  47  -7.133   2.293   0.670
  437   3HG2  VAL  47          1HG2      VAL  47  -5.404   1.978   0.523
  438    QG1  VAL  47           QG1      VAL  47  -4.933   0.909   2.886
  439    QG2  VAL  47           QG2      VAL  47  -6.366   1.737   0.294
  440    QQG  VAL  47           QQG      VAL  47  -5.650   1.323   1.590
  441    H    GLU  48           H        GLU  48  -7.912  -1.670   3.273
  442    HA   GLU  48           HA       GLU  48  -5.848  -2.682   5.003
  443   1HB   GLU  48          2HB       GLU  48  -7.866  -3.889   6.101
  444   2HB   GLU  48          1HB       GLU  48  -7.859  -2.126   6.112
  445   1HG   GLU  48          2HG       GLU  48  -9.678  -2.038   4.941
  446   2HG   GLU  48          1HG       GLU  48  -8.995  -3.034   3.680
  447    QB   GLU  48           QB       GLU  48  -7.863  -3.007   6.106
  448    QG   GLU  48           QG       GLU  48  -9.336  -2.536   4.310
  449    H    GLU  49           H        GLU  49  -8.340  -4.446   3.077
  450    HA   GLU  49           HA       GLU  49  -7.533  -7.050   3.478
  451   1HB   GLU  49          2HB       GLU  49  -9.412  -6.442   2.003
  452   2HB   GLU  49          1HB       GLU  49  -8.278  -5.808   0.810
  453   1HG   GLU  49          2HG       GLU  49  -8.056  -7.868  -0.064
  454   2HG   GLU  49          1HG       GLU  49  -7.431  -8.447   1.481
  455    QB   GLU  49           QB       GLU  49  -8.845  -6.125   1.406
  456    QG   GLU  49           QG       GLU  49  -7.744  -8.157   0.708
  457    H    ALA  50           H        ALA  50  -6.108  -4.774   1.120
  458    HA   ALA  50           HA       ALA  50  -4.089  -6.538   0.144
  459   1HB   ALA  50          2HB       ALA  50  -4.780  -4.197  -0.731
  460   2HB   ALA  50          1HB       ALA  50  -3.683  -3.564   0.492
  461   3HB   ALA  50          3HB       ALA  50  -3.067  -4.610  -0.785
  462    QB   ALA  50           QB       ALA  50  -3.843  -4.124  -0.342
  463    H    MET  51           H        MET  51  -4.174  -4.310   2.910
  464    HA   MET  51           HA       MET  51  -1.461  -4.538   3.716
  465   1HB   MET  51          2HB       MET  51  -2.907  -2.874   4.726
  466   2HB   MET  51          1HB       MET  51  -3.977  -4.125   5.358
  467   1HG   MET  51          2HG       MET  51  -1.777  -4.999   6.527
  468   2HG   MET  51          1HG       MET  51  -1.228  -3.343   6.279
  469   1HE   MET  51          2HE       MET  51  -2.775  -1.465   6.482
  470   2HE   MET  51          1HE       MET  51  -3.820  -1.164   7.868
  471   3HE   MET  51          3HE       MET  51  -2.069  -1.278   8.085
  472    QB   MET  51           QB       MET  51  -3.442  -3.499   5.042
  473    QG   MET  51           QG       MET  51  -1.503  -4.171   6.403
  474    QE   MET  51           QE       MET  51  -2.888  -1.302   7.478
  475    H    ASP  52           H        ASP  52  -4.262  -6.611   4.368
  476    HA   ASP  52           HA       ASP  52  -2.747  -8.355   6.159
  477   1HB   ASP  52          2HB       ASP  52  -5.305  -7.958   6.141
  478   2HB   ASP  52          1HB       ASP  52  -5.332  -9.079   4.779
  479    QB   ASP  52           QB       ASP  52  -5.318  -8.518   5.460
  480    H    THR  53           H        THR  53  -2.850  -7.923   2.818
  481    HA   THR  53           HA       THR  53  -1.984 -10.750   2.364
  482    HB   THR  53           HB       THR  53  -2.621  -9.169  -0.022
  483    HG1  THR  53          1HG       THR  53  -4.159  -8.319   1.427
  484   1HG2  THR  53          3HG2      THR  53  -2.525 -11.849   0.814
  485   2HG2  THR  53          2HG2      THR  53  -4.225 -11.525   0.479
  486   3HG2  THR  53          1HG2      THR  53  -3.013 -11.252  -0.772
  487    QG2  THR  53           QG2      THR  53  -3.255 -11.542   0.174
  488    H    CYS  54           H        CYS  54   0.178 -10.010   3.120
  489    HA   CYS  54           HA       CYS  54   1.763  -9.046   0.826
  490   1HB   CYS  54          1HB       CYS  54   1.236  -6.956   2.004
  491   2HB   CYS  54          2HB       CYS  54   1.798  -7.653   3.522
  492    QB   CYS  54           QB       CYS  54   1.517  -7.305   2.763
  493    HA   PRO  55           HA       PRO  55   4.449 -12.080   2.493
  494   1HB   PRO  55          2HB       PRO  55   6.806 -11.322   1.370
  495   2HB   PRO  55          1HB       PRO  55   5.516 -12.112   0.463
  496   1HG   PRO  55          2HG       PRO  55   6.238  -9.214   0.569
  497   2HG   PRO  55          1HG       PRO  55   5.679 -10.179  -0.808
  498   1HD   PRO  55          2HD       PRO  55   4.068  -8.469   0.597
  499   2HD   PRO  55          1HD       PRO  55   3.467  -9.896  -0.273
  500    QB   PRO  55           QB       PRO  55   6.161 -11.717   0.916
  501    QG   PRO  55           QG       PRO  55   5.959  -9.697  -0.119
  502    QD   PRO  55           QD       PRO  55   3.768  -9.183   0.162
  503    H    VAL  56           H        VAL  56   5.476  -8.678   2.693
  504    HA   VAL  56           HA       VAL  56   6.905  -9.341   5.236
  505    HB   VAL  56           HB       VAL  56   7.954  -7.008   4.806
  506   1HG1  VAL  56          3HG1      VAL  56   9.092  -9.234   4.527
  507   2HG1  VAL  56          2HG1      VAL  56   8.573  -9.234   2.841
  508   3HG1  VAL  56          1HG1      VAL  56   9.685  -7.995   3.422
  509   1HG2  VAL  56          3HG2      VAL  56   6.129  -6.743   2.884
  510   2HG2  VAL  56          2HG2      VAL  56   7.737  -6.039   2.709
  511   3HG2  VAL  56          1HG2      VAL  56   7.356  -7.572   1.925
  512    QG1  VAL  56           QG1      VAL  56   9.117  -8.821   3.597
  513    QG2  VAL  56           QG2      VAL  56   7.074  -6.785   2.506
  514    QQG  VAL  56           QQG      VAL  56   8.095  -7.803   3.052
  515    H    GLN  57           H        GLN  57   4.446  -7.347   3.729
  516    HA   GLN  57           HA       GLN  57   2.737  -6.066   4.698
  517   1HB   GLN  57          2HB       GLN  57   3.513  -7.984   6.734
  518   2HB   GLN  57          1HB       GLN  57   3.033  -6.452   7.467
  519   1HG   GLN  57          2HG       GLN  57   0.871  -6.918   7.063
  520   2HG   GLN  57          1HG       GLN  57   1.212  -7.038   5.336
  521   1HE2  GLN  57          2HE2      GLN  57   0.006 -10.357   6.847
  522   2HE2  GLN  57          1HE2      GLN  57  -0.567  -8.777   7.082
  523    QB   GLN  57           QB       GLN  57   3.273  -7.218   7.100
  524    QG   GLN  57           QG       GLN  57   1.041  -6.978   6.200
  525    QE2  GLN  57           QE2      GLN  57  -0.281  -9.567   6.964
  526    H    CYS  58           H        CYS  58   4.208  -4.254   4.040
  527    HA   CYS  58           HA       CYS  58   5.419  -2.895   6.415
  528   1HB   CYS  58          2HB       CYS  58   6.872  -1.722   4.880
  529   2HB   CYS  58          1HB       CYS  58   6.956  -3.439   4.487
  530    HG   CYS  58           HG       CYS  58   6.349  -2.670   2.202
  531    QB   CYS  58           QB       CYS  58   6.914  -2.580   4.684
  532    H    ILE  59           H        ILE  59   2.569  -2.948   5.160
  533    HA   ILE  59           HA       ILE  59   2.279  -0.019   4.682
  534    HB   ILE  59           HB       ILE  59   1.357  -1.918   3.106
  535   1HG1  ILE  59          2HG1      ILE  59   0.950   0.611   3.046
  536   2HG1  ILE  59          1HG1      ILE  59  -0.287  -0.399   2.299
  537   1HG2  ILE  59          1HG2      ILE  59  -0.813  -1.739   5.215
  538   2HG2  ILE  59          3HG2      ILE  59  -0.967  -2.550   3.656
  539   3HG2  ILE  59          2HG2      ILE  59   0.167  -3.160   4.860
  540   1HD1  ILE  59          1HD1      ILE  59  -1.564  -0.316   4.467
  541   2HD1  ILE  59          3HD1      ILE  59  -0.385   0.856   5.054
  542   3HD1  ILE  59          2HD1      ILE  59  -1.405   1.248   3.672
  543    QG1  ILE  59           QG1      ILE  59   0.332   0.106   2.672
  544    QG2  ILE  59           QG2      ILE  59  -0.538  -2.483   4.577
  545    QD1  ILE  59           QD1      ILE  59  -1.118   0.596   4.398
  546    H    HIS  60           H        HIS  60   1.334   1.226   6.231
  547    HA   HIS  60           HA       HIS  60  -0.351  -0.119   8.289
  548   1HB   HIS  60          2HB       HIS  60   1.509   2.061   9.160
  549   2HB   HIS  60          1HB       HIS  60   0.853   0.713  10.088
  550    HD1  HIS  60          1HD       HIS  60   3.447   1.442   7.413
  551    HD2  HIS  60          2HD       HIS  60   2.490  -1.552  10.152
  552    HE1  HIS  60          1HE       HIS  60   5.353  -0.223   7.348
  553    QB   HIS  60           QB       HIS  60   1.181   1.387   9.624
  554    H    TRP  61           H        TRP  61  -1.747   1.450   9.446
  555    HA   TRP  61           HA       TRP  61  -2.944   3.352   7.635
  556   1HB   TRP  61          2HB       TRP  61  -3.332   2.551  10.491
  557   2HB   TRP  61          1HB       TRP  61  -4.020   4.085   9.966
  558    HD1  TRP  61           HD       TRP  61  -6.441   2.902  10.344
  559    HE1  TRP  61          1HE       TRP  61  -7.834   1.432   8.753
  560    HE3  TRP  61          3HE       TRP  61  -2.819   1.513   7.015
  561    HZ2  TRP  61          2HZ       TRP  61  -7.467  -0.127   6.388
  562    HZ3  TRP  61          3HZ       TRP  61  -3.371   0.034   5.108
  563    HH2  TRP  61           HH       TRP  61  -5.688  -0.787   4.789
  564    QB   TRP  61           QB       TRP  61  -3.676   3.318  10.228
  565    H    GLU  62           H        GLU  62  -3.426   5.640   9.046
  566    HA   GLU  62           HA       GLU  62  -0.949   6.724  10.160
  567   1HB   GLU  62          2HB       GLU  62  -0.336   6.932   7.845
  568   2HB   GLU  62          1HB       GLU  62  -1.931   7.555   7.416
  569   1HG   GLU  62          2HG       GLU  62  -1.520   9.643   8.363
  570   2HG   GLU  62          1HG       GLU  62  -0.300   9.012   9.471
  571    QB   GLU  62           QB       GLU  62  -1.133   7.243   7.630
  572    QG   GLU  62           QG       GLU  62  -0.910   9.328   8.917
  573    H    ASP  63           H        ASP  63  -1.678   8.023  11.766
  574    HA   ASP  63           HA       ASP  63  -4.416   8.875  11.957
  575   1HB   ASP  63          2HB       ASP  63  -2.944   8.547  13.931
  576   2HB   ASP  63          1HB       ASP  63  -1.982   9.937  13.427
  577    QB   ASP  63           QB       ASP  63  -2.463   9.242  13.679
  578    H    GLU  64           H        GLU  64  -1.447  10.836  11.525
  579    HA   GLU  64           HA       GLU  64  -2.607  13.310  11.024
  580   1HB   GLU  64          2HB       GLU  64  -0.142  12.832  11.080
  581   2HB   GLU  64          1HB       GLU  64  -0.279  12.166   9.452
  582   1HG   GLU  64          2HG       GLU  64  -0.900  14.265   8.529
  583   2HG   GLU  64          1HG       GLU  64  -1.233  14.953  10.118
  584    QB   GLU  64           QB       GLU  64  -0.211  12.499  10.266
  585    QG   GLU  64           QG       GLU  64  -1.066  14.609   9.324
   
  No H/Q in entry =         585
  Start of MODEL   13
    1    HA   ALA   1           HA       ALA   1 -12.617   9.386   7.599
    2   1HB   ALA   1          3HB       ALA   1 -12.691   6.901   9.336
    3   2HB   ALA   1          2HB       ALA   1 -12.667   8.548   9.965
    4   3HB   ALA   1          1HB       ALA   1 -14.034   7.993   9.001
    5    QB   ALA   1           QB       ALA   1 -13.131   7.814   9.434
    6    H    ARG   2           H        ARG   2 -10.740   6.620   8.869
    7    HA   ARG   2           HA       ARG   2  -8.453   8.287   9.443
    8   1HB   ARG   2          2HB       ARG   2  -7.300   6.109   9.867
    9   2HB   ARG   2          1HB       ARG   2  -8.841   6.242  10.717
   10   1HG   ARG   2          2HG       ARG   2  -9.689   5.158   8.382
   11   2HG   ARG   2          1HG       ARG   2  -8.069   4.466   8.470
   12   1HD   ARG   2          2HD       ARG   2  -8.505   3.461  10.591
   13   2HD   ARG   2          1HD       ARG   2  -9.986   4.395  10.806
   14    HE   ARG   2           HE       ARG   2 -10.541   2.981   8.534
   15   1HH1  ARG   2          1HH1      ARG   2 -12.029   2.121  10.838
   16   2HH1  ARG   2          2HH1      ARG   2 -11.440   0.525  11.161
   17   1HH2  ARG   2          1HH2      ARG   2  -8.555   0.922   9.277
   18   2HH2  ARG   2          2HH2      ARG   2  -9.472  -0.155  10.277
   19    QB   ARG   2           QB       ARG   2  -8.070   6.175  10.292
   20    QG   ARG   2           QG       ARG   2  -8.879   4.812   8.426
   21    QD   ARG   2           QD       ARG   2  -9.246   3.928  10.698
   22    QH1  ARG   2           QH1      ARG   2 -11.735   1.323  10.999
   23    QH2  ARG   2           QH2      ARG   2  -9.013   0.383   9.777
   24    H    LYS   3           H        LYS   3  -6.260   7.815   8.451
   25    HA   LYS   3           HA       LYS   3  -6.573   7.610   5.492
   26   1HB   LYS   3          2HB       LYS   3  -5.267   9.486   7.044
   27   2HB   LYS   3          1HB       LYS   3  -3.954   8.428   6.528
   28   1HG   LYS   3          2HG       LYS   3  -3.990   9.704   4.641
   29   2HG   LYS   3          1HG       LYS   3  -5.354   8.676   4.202
   30   1HD   LYS   3          2HD       LYS   3  -6.920  10.295   5.175
   31   2HD   LYS   3          1HD       LYS   3  -5.571  11.317   5.677
   32   1HE   LYS   3          2HE       LYS   3  -6.452  12.209   3.605
   33   2HE   LYS   3          1HE       LYS   3  -4.884  11.475   3.261
   34   1HZ   LYS   3          1HZ       LYS   3  -7.117   9.660   3.067
   35   2HZ   LYS   3          3HZ       LYS   3  -7.160  10.924   1.936
   36   3HZ   LYS   3          2HZ       LYS   3  -5.810   9.895   2.006
   37    QB   LYS   3           QB       LYS   3  -4.611   8.957   6.786
   38    QG   LYS   3           QG       LYS   3  -4.672   9.190   4.421
   39    QD   LYS   3           QD       LYS   3  -6.245  10.806   5.426
   40    QE   LYS   3           QE       LYS   3  -5.668  11.842   3.433
   41    QZ   LYS   3           QZ       LYS   3  -6.696  10.160   2.336
   42    H    PHE   4           H        PHE   4  -3.713   7.121   5.150
   43    HA   PHE   4           HA       PHE   4  -2.653   4.894   6.436
   44   1HB   PHE   4          2HB       PHE   4  -3.347   3.021   4.909
   45   2HB   PHE   4          1HB       PHE   4  -4.667   3.629   5.904
   46    HD1  PHE   4          1HD       PHE   4  -6.482   4.954   4.927
   47    HD2  PHE   4          2HD       PHE   4  -3.244   3.488   2.514
   48    HE1  PHE   4          1HE       PHE   4  -7.775   5.473   2.873
   49    HE2  PHE   4          2HE       PHE   4  -4.537   4.007   0.463
   50    HZ   PHE   4           HZ       PHE   4  -6.803   5.000   0.642
   51    QB   PHE   4           QB       PHE   4  -4.007   3.325   5.406
   52    QD   PHE   4           QD       PHE   4  -4.863   4.221   3.720
   53    QE   PHE   4           QE       PHE   4  -6.156   4.740   1.668
   54    QR   PHE   4           QR       PHE   4  -5.768   4.584   2.284
   55    H    TYR   5           H        TYR   5  -1.104   3.639   4.937
   56    HA   TYR   5           HA       TYR   5  -0.469   4.477   2.320
   57   1HB   TYR   5          2HB       TYR   5   1.401   5.997   2.662
   58   2HB   TYR   5          1HB       TYR   5  -0.027   6.685   3.419
   59    HD1  TYR   5          1HD       TYR   5  -0.384   6.195   5.951
   60    HD2  TYR   5          2HD       TYR   5   3.355   5.658   3.907
   61    HE1  TYR   5          1HE       TYR   5   0.813   6.260   8.122
   62    HE2  TYR   5          2HE       TYR   5   4.553   5.726   6.077
   63    HH   TYR   5           HH       TYR   5   2.800   5.821   9.141
   64    QB   TYR   5           QB       TYR   5   0.687   6.341   3.041
   65    QD   TYR   5           QD       TYR   5   1.486   5.927   4.929
   66    QE   TYR   5           QE       TYR   5   2.683   5.993   7.099
   67    QR   TYR   5           QR       TYR   5   2.084   5.960   6.014
   68    H    VAL   6           H        VAL   6   2.298   4.234   2.305
   69    HA   VAL   6           HA       VAL   6   2.765   1.778   3.937
   70    HB   VAL   6           HB       VAL   6   4.046   1.639   1.328
   71   1HG1  VAL   6          3HG1      VAL   6   3.313  -0.012   3.379
   72   2HG1  VAL   6          2HG1      VAL   6   2.068  -0.365   2.182
   73   3HG1  VAL   6          1HG1      VAL   6   3.771  -0.561   1.768
   74   1HG2  VAL   6          2HG2      VAL   6   1.677   2.778   0.953
   75   2HG2  VAL   6          1HG2      VAL   6   2.209   1.470  -0.087
   76   3HG2  VAL   6          3HG2      VAL   6   1.090   1.142   1.232
   77    QG1  VAL   6           QG1      VAL   6   3.051  -0.313   2.443
   78    QG2  VAL   6           QG2      VAL   6   1.658   1.797   0.699
   79    QQG  VAL   6           QQG      VAL   6   2.354   0.742   1.571
   80    H    ASP   7           H        ASP   7   5.124   1.062   2.946
   81    HA   ASP   7           HA       ASP   7   6.955   3.315   2.912
   82   1HB   ASP   7          2HB       ASP   7   6.471   1.728   5.302
   83   2HB   ASP   7          1HB       ASP   7   8.158   1.678   4.803
   84    QB   ASP   7           QB       ASP   7   7.315   1.703   5.053
   85    H    GLN   8           H        GLN   8   7.653   2.688   0.992
   86    HA   GLN   8           HA       GLN   8   8.145  -0.005   0.175
   87   1HB   GLN   8          2HB       GLN   8   9.418   2.543  -0.831
   88   2HB   GLN   8          1HB       GLN   8   9.396   0.985  -1.645
   89   1HG   GLN   8          2HG       GLN   8   7.502   1.797  -2.641
   90   2HG   GLN   8          1HG       GLN   8   6.745   1.321  -1.118
   91   1HE2  GLN   8          2HE2      GLN   8   5.851   4.632  -0.379
   92   2HE2  GLN   8          1HE2      GLN   8   5.507   2.975  -0.244
   93    QB   GLN   8           QB       GLN   8   9.407   1.764  -1.238
   94    QG   GLN   8           QG       GLN   8   7.123   1.559  -1.880
   95    QE2  GLN   8           QE2      GLN   8   5.679   3.804  -0.312
   96    H    ASP   9           H        ASP   9   9.307   0.300   2.675
   97    HA   ASP   9           HA       ASP   9  12.241   0.378   2.191
   98   1HB   ASP   9          2HB       ASP   9  10.640   1.259   4.334
   99   2HB   ASP   9          1HB       ASP   9  11.474  -0.177   4.931
  100    QB   ASP   9           QB       ASP   9  11.057   0.541   4.633
  101    H    GLU  10           H        GLU  10   9.591  -1.753   2.887
  102    HA   GLU  10           HA       GLU  10  11.524  -4.013   3.187
  103   1HB   GLU  10          2HB       GLU  10   9.327  -3.262   4.804
  104   2HB   GLU  10          1HB       GLU  10   8.817  -4.706   3.927
  105   1HG   GLU  10          2HG       GLU  10   9.884  -5.592   5.825
  106   2HG   GLU  10          1HG       GLU  10  11.145  -5.658   4.593
  107    QB   GLU  10           QB       GLU  10   9.072  -3.984   4.365
  108    QG   GLU  10           QG       GLU  10  10.515  -5.625   5.209
  109    H    CYS  11           H        CYS  11   9.981  -2.589   0.810
  110    HA   CYS  11           HA       CYS  11   8.446  -4.847  -0.267
  111   1HB   CYS  11          1HB       CYS  11   7.755  -2.493  -0.699
  112   2HB   CYS  11          2HB       CYS  11   9.247  -2.247  -1.608
  113    QB   CYS  11           QB       CYS  11   8.501  -2.370  -1.153
  114    H    ILE  12           H        ILE  12   9.261  -6.400  -1.576
  115    HA   ILE  12           HA       ILE  12  12.086  -6.101  -2.473
  116    HB   ILE  12           HB       ILE  12  11.952  -8.584  -2.836
  117   1HG1  ILE  12          2HG1      ILE  12   9.253  -8.247  -1.485
  118   2HG1  ILE  12          1HG1      ILE  12   9.499  -8.696  -3.174
  119   1HG2  ILE  12          3HG2      ILE  12  11.456  -7.305  -0.161
  120   2HG2  ILE  12          2HG2      ILE  12  11.593  -9.060  -0.283
  121   3HG2  ILE  12          1HG2      ILE  12  12.934  -8.034  -0.790
  122   1HD1  ILE  12          1HD1      ILE  12  11.063 -10.379  -1.391
  123   2HD1  ILE  12          3HD1      ILE  12   9.345 -10.450  -1.001
  124   3HD1  ILE  12          2HD1      ILE  12   9.898 -10.846  -2.629
  125    QG1  ILE  12           QG1      ILE  12   9.376  -8.471  -2.329
  126    QG2  ILE  12           QG2      ILE  12  11.994  -8.133  -0.411
  127    QD1  ILE  12           QD1      ILE  12  10.102 -10.558  -1.673
  128    H    ALA  13           H        ALA  13   8.848  -6.998  -3.649
  129    HA   ALA  13           HA       ALA  13   8.958  -5.751  -6.116
  130   1HB   ALA  13          1HB       ALA  13  10.723  -8.082  -6.027
  131   2HB   ALA  13          3HB       ALA  13   9.536  -8.182  -7.328
  132   3HB   ALA  13          2HB       ALA  13  10.624  -6.797  -7.231
  133    QB   ALA  13           QB       ALA  13  10.294  -7.687  -6.862
  134    H    CYS  14           H        CYS  14   7.925  -8.496  -4.235
  135    HA   CYS  14           HA       CYS  14   6.021  -9.673  -5.922
  136   1HB   CYS  14          1HB       CYS  14   5.415 -10.793  -4.064
  137   2HB   CYS  14          2HB       CYS  14   6.652  -9.864  -3.225
  138    QB   CYS  14           QB       CYS  14   6.033 -10.328  -3.645
  139    H    GLU  15           H        GLU  15   3.952  -9.120  -6.594
  140    HA   GLU  15           HA       GLU  15   3.155  -6.302  -6.051
  141   1HB   GLU  15          2HB       GLU  15   1.944  -8.093  -8.156
  142   2HB   GLU  15          1HB       GLU  15   1.994  -6.331  -8.110
  143   1HG   GLU  15          2HG       GLU  15   3.748  -6.607  -9.544
  144   2HG   GLU  15          1HG       GLU  15   4.651  -6.883  -8.055
  145    QB   GLU  15           QB       GLU  15   1.969  -7.212  -8.133
  146    QG   GLU  15           QG       GLU  15   4.199  -6.745  -8.800
  147    H    SER  16           H        SER  16   2.652  -8.838  -4.370
  148    HA   SER  16           HA       SER  16   0.027  -9.721  -4.387
  149   1HB   SER  16          2HB       SER  16   1.385  -8.783  -1.851
  150   2HB   SER  16          1HB       SER  16   0.215 -10.090  -2.027
  151    HG   SER  16           HG       SER  16   2.390 -10.839  -1.900
  152    QB   SER  16           QB       SER  16   0.800  -9.437  -1.939
  153    H    CYS  17           H        CYS  17   1.044  -6.909  -2.419
  154    HA   CYS  17           HA       CYS  17  -1.535  -5.906  -1.892
  155   1HB   CYS  17          1HB       CYS  17  -0.467  -3.837  -1.325
  156   2HB   CYS  17          2HB       CYS  17   0.702  -5.102  -0.938
  157    QB   CYS  17           QB       CYS  17   0.117  -4.469  -1.131
  158    H    VAL  18           H        VAL  18   0.686  -4.964  -4.540
  159    HA   VAL  18           HA       VAL  18  -0.940  -3.131  -5.876
  160    HB   VAL  18           HB       VAL  18   0.738  -5.270  -7.221
  161   1HG1  VAL  18          3HG1      VAL  18  -0.241  -2.528  -8.056
  162   2HG1  VAL  18          2HG1      VAL  18   1.035  -3.397  -8.907
  163   3HG1  VAL  18          1HG1      VAL  18  -0.592  -4.074  -8.830
  164   1HG2  VAL  18          3HG2      VAL  18   1.425  -2.844  -5.641
  165   2HG2  VAL  18          2HG2      VAL  18   2.350  -4.325  -5.884
  166   3HG2  VAL  18          1HG2      VAL  18   2.325  -3.085  -7.138
  167    QG1  VAL  18           QG1      VAL  18   0.067  -3.333  -8.598
  168    QG2  VAL  18           QG2      VAL  18   2.033  -3.418  -6.221
  169    QQG  VAL  18           QQG      VAL  18   1.050  -3.376  -7.409
  170    H    GLU  19           H        GLU  19  -1.363  -6.576  -5.561
  171    HA   GLU  19           HA       GLU  19  -3.366  -6.670  -7.714
  172   1HB   GLU  19          2HB       GLU  19  -2.091  -8.661  -5.888
  173   2HB   GLU  19          1HB       GLU  19  -3.689  -9.046  -6.528
  174   1HG   GLU  19          2HG       GLU  19  -1.524  -8.065  -8.373
  175   2HG   GLU  19          1HG       GLU  19  -1.578  -9.763  -7.897
  176    QB   GLU  19           QB       GLU  19  -2.890  -8.854  -6.208
  177    QG   GLU  19           QG       GLU  19  -1.551  -8.914  -8.135
  178    H    ILE  20           H        ILE  20  -3.241  -6.506  -4.207
  179    HA   ILE  20           HA       ILE  20  -6.165  -6.769  -3.997
  180    HB   ILE  20           HB       ILE  20  -4.091  -6.047  -1.925
  181   1HG1  ILE  20          2HG1      ILE  20  -5.279  -8.483  -1.409
  182   2HG1  ILE  20          1HG1      ILE  20  -4.853  -8.497  -3.106
  183   1HG2  ILE  20          1HG2      ILE  20  -7.051  -6.359  -1.854
  184   2HG2  ILE  20          3HG2      ILE  20  -6.117  -6.917  -0.466
  185   3HG2  ILE  20          2HG2      ILE  20  -6.031  -5.228  -0.966
  186   1HD1  ILE  20          3HD1      ILE  20  -2.596  -7.435  -2.156
  187   2HD1  ILE  20          2HD1      ILE  20  -3.085  -8.328  -0.717
  188   3HD1  ILE  20          1HD1      ILE  20  -2.830  -9.182  -2.238
  189    QG1  ILE  20           QG1      ILE  20  -5.066  -8.490  -2.257
  190    QG2  ILE  20           QG2      ILE  20  -6.400  -6.168  -1.095
  191    QD1  ILE  20           QD1      ILE  20  -2.837  -8.315  -1.703
  192    H    ALA  21           H        ALA  21  -4.408  -4.499  -5.344
  193    HA   ALA  21           HA       ALA  21  -6.246  -2.403  -5.204
  194   1HB   ALA  21          2HB       ALA  21  -4.332  -2.464  -2.916
  195   2HB   ALA  21          1HB       ALA  21  -4.631  -0.897  -3.667
  196   3HB   ALA  21          3HB       ALA  21  -5.971  -1.821  -2.988
  197    QB   ALA  21           QB       ALA  21  -4.978  -1.727  -3.190
  198    HA   PRO  22           HA       PRO  22  -2.468  -2.159  -7.918
  199   1HB   PRO  22          2HB       PRO  22  -3.810  -2.346 -10.281
  200   2HB   PRO  22          1HB       PRO  22  -3.199  -3.748  -9.401
  201   1HG   PRO  22          2HG       PRO  22  -5.980  -2.643  -9.481
  202   2HG   PRO  22          1HG       PRO  22  -5.448  -4.334  -9.484
  203   1HD   PRO  22          2HD       PRO  22  -6.404  -3.099  -7.259
  204   2HD   PRO  22          1HD       PRO  22  -5.198  -4.400  -7.197
  205    QB   PRO  22           QB       PRO  22  -3.505  -3.047  -9.841
  206    QG   PRO  22           QG       PRO  22  -5.714  -3.489  -9.483
  207    QD   PRO  22           QD       PRO  22  -5.801  -3.749  -7.228
  208    H    GLY  23           H        GLY  23  -5.289  -0.453  -7.242
  209   1HA   GLY  23          2HA       GLY  23  -4.610   1.782  -9.087
  210   2HA   GLY  23          1HA       GLY  23  -6.120   1.630  -8.186
  211    QA   GLY  23           QA       GLY  23  -5.365   1.706  -8.636
  212    H    ALA  24           H        ALA  24  -5.002   1.000  -5.642
  213    HA   ALA  24           HA       ALA  24  -4.124   3.691  -4.839
  214   1HB   ALA  24          1HB       ALA  24  -4.761   1.190  -3.252
  215   2HB   ALA  24          3HB       ALA  24  -4.283   2.723  -2.523
  216   3HB   ALA  24          2HB       ALA  24  -5.786   2.614  -3.441
  217    QB   ALA  24           QB       ALA  24  -4.943   2.176  -3.072
  218    H    PHE  25           H        PHE  25  -2.815   0.435  -5.081
  219    HA   PHE  25           HA       PHE  25  -0.197   1.417  -4.029
  220   1HB   PHE  25          2HB       PHE  25  -1.642  -0.994  -3.685
  221   2HB   PHE  25          1HB       PHE  25  -0.289  -1.406  -4.733
  222    HD1  PHE  25          1HD       PHE  25  -1.315  -1.012  -1.380
  223    HD2  PHE  25          2HD       PHE  25   2.058  -0.392  -3.968
  224    HE1  PHE  25          1HE       PHE  25   0.202  -1.065   0.582
  225    HE2  PHE  25          2HE       PHE  25   3.567  -0.440  -1.997
  226    HZ   PHE  25           HZ       PHE  25   2.643  -0.783   0.263
  227    QB   PHE  25           QB       PHE  25  -0.965  -1.200  -4.209
  228    QD   PHE  25           QD       PHE  25   0.372  -0.702  -2.674
  229    QE   PHE  25           QE       PHE  25   1.885  -0.752  -0.707
  230    QR   PHE  25           QR       PHE  25   1.431  -0.738  -1.300
  231    H    ALA  26           H        ALA  26   1.652   1.314  -5.394
  232    HA   ALA  26           HA       ALA  26   1.637  -0.014  -7.956
  233   1HB   ALA  26          2HB       ALA  26   0.150   2.211  -8.109
  234   2HB   ALA  26          1HB       ALA  26   1.738   2.942  -8.342
  235   3HB   ALA  26          3HB       ALA  26   1.178   1.684  -9.442
  236    QB   ALA  26           QB       ALA  26   1.022   2.279  -8.631
  237    H    MET  27           H        MET  27   3.755  -0.438  -8.363
  238    HA   MET  27           HA       MET  27   5.867   0.602  -6.777
  239   1HB   MET  27          2HB       MET  27   7.362  -0.561  -8.245
  240   2HB   MET  27          1HB       MET  27   5.896  -1.538  -8.155
  241   1HG   MET  27          2HG       MET  27   5.995  -1.471 -10.430
  242   2HG   MET  27          1HG       MET  27   5.280   0.128 -10.230
  243   1HE   MET  27          1HE       MET  27   8.180  -2.057 -10.923
  244   2HE   MET  27          3HE       MET  27   9.593  -1.021 -11.174
  245   3HE   MET  27          2HE       MET  27   8.985  -1.309  -9.546
  246    QB   MET  27           QB       MET  27   6.629  -1.050  -8.200
  247    QG   MET  27           QG       MET  27   5.638  -0.672 -10.330
  248    QE   MET  27           QE       MET  27   8.919  -1.462 -10.548
  249    H    ASP  28           H        ASP  28   7.619   2.131  -7.372
  250    HA   ASP  28           HA       ASP  28   6.739   3.951  -9.582
  251   1HB   ASP  28          2HB       ASP  28   6.709   4.605  -6.916
  252   2HB   ASP  28          1HB       ASP  28   8.335   5.116  -7.379
  253    QB   ASP  28           QB       ASP  28   7.522   4.860  -7.147
  254    HA   PRO  29           HA       PRO  29  10.856   3.262 -10.936
  255   1HB   PRO  29          2HB       PRO  29  11.286   5.474 -12.449
  256   2HB   PRO  29          1HB       PRO  29  10.180   4.190 -12.932
  257   1HG   PRO  29          2HG       PRO  29   9.566   6.894 -11.925
  258   2HG   PRO  29          1HG       PRO  29   8.574   5.814 -12.913
  259   1HD   PRO  29          2HD       PRO  29   8.345   6.301 -10.122
  260   2HD   PRO  29          1HD       PRO  29   7.443   5.124 -11.083
  261    QB   PRO  29           QB       PRO  29  10.733   4.832 -12.690
  262    QG   PRO  29           QG       PRO  29   9.070   6.354 -12.419
  263    QD   PRO  29           QD       PRO  29   7.894   5.712 -10.603
  264    H    GLU  30           H        GLU  30  10.014   5.984  -9.073
  265    HA   GLU  30           HA       GLU  30  12.823   6.819  -8.608
  266   1HB   GLU  30          2HB       GLU  30  10.780   8.023  -6.919
  267   2HB   GLU  30          1HB       GLU  30  11.990   8.806  -7.919
  268   1HG   GLU  30          2HG       GLU  30  10.510   8.103  -9.920
  269   2HG   GLU  30          1HG       GLU  30   9.249   7.830  -8.717
  270    QB   GLU  30           QB       GLU  30  11.385   8.414  -7.419
  271    QG   GLU  30           QG       GLU  30   9.879   7.967  -9.319
  272    H    ILE  31           H        ILE  31  10.179   5.066  -7.257
  273    HA   ILE  31           HA       ILE  31  11.768   4.486  -4.825
  274    HB   ILE  31           HB       ILE  31   9.816   4.166  -3.615
  275   1HG1  ILE  31          2HG1      ILE  31   8.544   3.565  -6.293
  276   2HG1  ILE  31          1HG1      ILE  31   8.737   2.487  -4.915
  277   1HG2  ILE  31          2HG2      ILE  31  10.064   6.518  -4.747
  278   2HG2  ILE  31          1HG2      ILE  31   8.643   6.023  -5.668
  279   3HG2  ILE  31          3HG2      ILE  31   8.566   6.118  -3.908
  280   1HD1  ILE  31          1HD1      ILE  31   7.020   4.985  -4.910
  281   2HD1  ILE  31          3HD1      ILE  31   6.405   3.346  -5.122
  282   3HD1  ILE  31          2HD1      ILE  31   7.168   3.812  -3.603
  283    QG1  ILE  31           QG1      ILE  31   8.641   3.026  -5.604
  284    QG2  ILE  31           QG2      ILE  31   9.091   6.219  -4.774
  285    QD1  ILE  31           QD1      ILE  31   6.864   4.048  -4.545
  286    H    GLU  32           H        GLU  32  11.082   3.331  -7.807
  287    HA   GLU  32           HA       GLU  32  10.798   1.172  -8.722
  288   1HB   GLU  32          2HB       GLU  32  13.372   1.576  -7.418
  289   2HB   GLU  32          1HB       GLU  32  12.946  -0.134  -7.481
  290   1HG   GLU  32          2HG       GLU  32  12.798   1.712  -9.878
  291   2HG   GLU  32          1HG       GLU  32  14.195   0.700  -9.515
  292    QB   GLU  32           QB       GLU  32  13.159   0.721  -7.449
  293    QG   GLU  32           QG       GLU  32  13.496   1.206  -9.697
  294    H    LYS  33           H        LYS  33   9.141   1.511  -6.483
  295    HA   LYS  33           HA       LYS  33   8.788  -1.297  -5.682
  296   1HB   LYS  33          2HB       LYS  33   9.609   0.788  -3.642
  297   2HB   LYS  33          1HB       LYS  33   8.884  -0.761  -3.214
  298   1HG   LYS  33          2HG       LYS  33  10.755  -1.850  -4.580
  299   2HG   LYS  33          1HG       LYS  33  11.531  -0.266  -4.588
  300   1HD   LYS  33          2HD       LYS  33  11.137  -0.354  -1.998
  301   2HD   LYS  33          1HD       LYS  33  10.990  -2.092  -2.263
  302   1HE   LYS  33          2HE       LYS  33  13.199  -2.086  -3.401
  303   2HE   LYS  33          1HE       LYS  33  13.351  -0.362  -3.060
  304   1HZ   LYS  33          3HZ       LYS  33  12.910  -2.390  -0.945
  305   2HZ   LYS  33          2HZ       LYS  33  14.458  -1.891  -1.435
  306   3HZ   LYS  33          1HZ       LYS  33  13.379  -0.771  -0.753
  307    QB   LYS  33           QB       LYS  33   9.247   0.014  -3.428
  308    QG   LYS  33           QG       LYS  33  11.143  -1.058  -4.584
  309    QD   LYS  33           QD       LYS  33  11.064  -1.223  -2.131
  310    QE   LYS  33           QE       LYS  33  13.275  -1.224  -3.230
  311    QZ   LYS  33           QZ       LYS  33  13.582  -1.684  -1.044
  312    H    ALA  34           H        ALA  34   6.711  -1.687  -4.837
  313    HA   ALA  34           HA       ALA  34   4.607   0.022  -5.635
  314   1HB   ALA  34          1HB       ALA  34   4.792  -2.530  -4.640
  315   2HB   ALA  34          3HB       ALA  34   3.992  -1.678  -3.319
  316   3HB   ALA  34          2HB       ALA  34   3.279  -1.671  -4.931
  317    QB   ALA  34           QB       ALA  34   4.021  -1.960  -4.297
  318    H    TYR  35           H        TYR  35   3.272   1.450  -4.510
  319    HA   TYR  35           HA       TYR  35   3.790   2.092  -1.681
  320   1HB   TYR  35          2HB       TYR  35   4.490   4.320  -1.963
  321   2HB   TYR  35          1HB       TYR  35   5.426   3.441  -3.164
  322    HD1  TYR  35          1HD       TYR  35   2.950   3.046  -5.078
  323    HD2  TYR  35          2HD       TYR  35   4.659   6.451  -3.107
  324    HE1  TYR  35          1HE       TYR  35   2.057   4.511  -6.856
  325    HE2  TYR  35          2HE       TYR  35   3.757   7.924  -4.886
  326    HH   TYR  35           HH       TYR  35   2.460   6.680  -7.818
  327    QB   TYR  35           QB       TYR  35   4.958   3.880  -2.563
  328    QD   TYR  35           QD       TYR  35   3.804   4.748  -4.093
  329    QE   TYR  35           QE       TYR  35   2.907   6.218  -5.871
  330    QR   TYR  35           QR       TYR  35   3.356   5.483  -4.982
  331    H    VAL  36           H        VAL  36   2.077   3.385  -0.766
  332    HA   VAL  36           HA       VAL  36  -0.438   3.124  -2.309
  333    HB   VAL  36           HB       VAL  36   0.180   3.697   0.596
  334   1HG1  VAL  36          3HG1      VAL  36  -2.514   3.702  -0.771
  335   2HG1  VAL  36          2HG1      VAL  36  -2.244   3.788   0.969
  336   3HG1  VAL  36          1HG1      VAL  36  -1.711   5.108  -0.073
  337   1HG2  VAL  36          2HG2      VAL  36   0.127   1.341  -0.550
  338   2HG2  VAL  36          1HG2      VAL  36  -0.705   1.566   0.988
  339   3HG2  VAL  36          3HG2      VAL  36  -1.622   1.566  -0.518
  340    QG1  VAL  36           QG1      VAL  36  -2.156   4.199   0.042
  341    QG2  VAL  36           QG2      VAL  36  -0.733   1.491  -0.027
  342    QQG  VAL  36           QQG      VAL  36  -1.445   2.845   0.007
  343    H    LYS  37           H        LYS  37  -0.649   4.842  -3.702
  344    HA   LYS  37           HA       LYS  37  -0.301   7.569  -2.496
  345   1HB   LYS  37          2HB       LYS  37   0.357   8.404  -4.659
  346   2HB   LYS  37          1HB       LYS  37   1.330   6.973  -4.321
  347   1HG   LYS  37          2HG       LYS  37   0.470   5.859  -6.086
  348   2HG   LYS  37          1HG       LYS  37  -1.181   6.297  -5.649
  349   1HD   LYS  37          2HD       LYS  37   0.651   8.357  -6.854
  350   2HD   LYS  37          1HD       LYS  37  -0.183   7.202  -7.893
  351   1HE   LYS  37          2HE       LYS  37  -2.063   8.224  -5.989
  352   2HE   LYS  37          1HE       LYS  37  -1.227   9.587  -6.733
  353   1HZ   LYS  37          3HZ       LYS  37  -2.003   7.490  -8.567
  354   2HZ   LYS  37          2HZ       LYS  37  -3.303   8.303  -7.834
  355   3HZ   LYS  37          1HZ       LYS  37  -2.144   9.174  -8.718
  356    QB   LYS  37           QB       LYS  37   0.843   7.689  -4.490
  357    QG   LYS  37           QG       LYS  37  -0.355   6.078  -5.867
  358    QD   LYS  37           QD       LYS  37   0.234   7.779  -7.374
  359    QE   LYS  37           QE       LYS  37  -1.645   8.905  -6.361
  360    QZ   LYS  37           QZ       LYS  37  -2.483   8.322  -8.373
  361    H    ASP  38           H        ASP  38  -2.441   5.441  -4.248
  362    HA   ASP  38           HA       ASP  38  -4.372   7.710  -4.516
  363   1HB   ASP  38          2HB       ASP  38  -3.871   6.689  -6.664
  364   2HB   ASP  38          1HB       ASP  38  -4.214   5.084  -6.023
  365    QB   ASP  38           QB       ASP  38  -4.042   5.886  -6.344
  366    H    VAL  39           H        VAL  39  -5.410   7.634  -2.527
  367    HA   VAL  39           HA       VAL  39  -6.118   5.235  -1.137
  368    HB   VAL  39           HB       VAL  39  -7.675   6.718   0.136
  369   1HG1  VAL  39          3HG1      VAL  39  -5.027   6.641   0.312
  370   2HG1  VAL  39          2HG1      VAL  39  -5.164   8.305  -0.258
  371   3HG1  VAL  39          1HG1      VAL  39  -5.957   7.818   1.240
  372   1HG2  VAL  39          1HG2      VAL  39  -7.093   8.458  -2.217
  373   2HG2  VAL  39          3HG2      VAL  39  -8.578   8.298  -1.280
  374   3HG2  VAL  39          2HG2      VAL  39  -7.236   9.252  -0.649
  375    QG1  VAL  39           QG1      VAL  39  -5.383   7.588   0.432
  376    QG2  VAL  39           QG2      VAL  39  -7.636   8.669  -1.382
  377    QQG  VAL  39           QQG      VAL  39  -6.509   8.129  -0.475
  378    H    GLU  40           H        GLU  40  -7.689   7.049  -3.698
  379    HA   GLU  40           HA       GLU  40 -10.234   5.626  -3.399
  380   1HB   GLU  40          2HB       GLU  40  -9.210   7.868  -4.945
  381   2HB   GLU  40          1HB       GLU  40 -10.158   6.771  -5.951
  382   1HG   GLU  40          2HG       GLU  40 -11.626   8.454  -4.938
  383   2HG   GLU  40          1HG       GLU  40 -11.995   6.858  -4.284
  384    QB   GLU  40           QB       GLU  40  -9.684   7.319  -5.448
  385    QG   GLU  40           QG       GLU  40 -11.810   7.656  -4.611
  386    H    GLY  41           H        GLY  41  -7.213   4.984  -4.853
  387   1HA   GLY  41          2HA       GLY  41  -8.086   3.418  -7.103
  388   2HA   GLY  41          1HA       GLY  41  -6.503   3.302  -6.333
  389    QA   GLY  41           QA       GLY  41  -7.294   3.360  -6.718
  390    H    ALA  42           H        ALA  42  -8.108   2.872  -3.715
  391    HA   ALA  42           HA       ALA  42  -9.191   0.163  -4.158
  392   1HB   ALA  42          2HB       ALA  42  -6.666  -0.028  -3.836
  393   2HB   ALA  42          1HB       ALA  42  -6.921   0.572  -2.198
  394   3HB   ALA  42          3HB       ALA  42  -7.652  -0.953  -2.702
  395    QB   ALA  42           QB       ALA  42  -7.080  -0.136  -2.912
  396    H    SER  43           H        SER  43 -10.871  -0.160  -2.752
  397    HA   SER  43           HA       SER  43 -11.705   1.910  -0.963
  398   1HB   SER  43          2HB       SER  43 -12.759  -0.720  -0.279
  399   2HB   SER  43          1HB       SER  43 -13.605   0.698  -0.890
  400    HG   SER  43           HG       SER  43 -13.771  -0.662  -2.545
  401    QB   SER  43           QB       SER  43 -13.182  -0.011  -0.585
  402    H    GLN  44           H        GLN  44 -12.071   1.493   1.435
  403    HA   GLN  44           HA       GLN  44  -9.603   1.090   2.770
  404   1HB   GLN  44          2HB       GLN  44 -12.466   1.260   3.615
  405   2HB   GLN  44          1HB       GLN  44 -11.292   0.659   4.786
  406   1HG   GLN  44          2HG       GLN  44  -9.970   2.668   4.603
  407   2HG   GLN  44          1HG       GLN  44 -10.941   3.241   3.245
  408   1HE2  GLN  44          2HE2      GLN  44 -12.088   4.325   6.867
  409   2HE2  GLN  44          1HE2      GLN  44 -10.512   3.876   6.429
  410    QB   GLN  44           QB       GLN  44 -11.879   0.959   4.201
  411    QG   GLN  44           QG       GLN  44 -10.455   2.954   3.924
  412    QE2  GLN  44           QE2      GLN  44 -11.300   4.100   6.648
  413    H    GLU  45           H        GLU  45 -12.405  -1.123   2.469
  414    HA   GLU  45           HA       GLU  45 -11.187  -3.280   3.894
  415   1HB   GLU  45          2HB       GLU  45 -13.200  -3.500   1.631
  416   2HB   GLU  45          1HB       GLU  45 -12.911  -4.680   2.911
  417   1HG   GLU  45          2HG       GLU  45 -13.422  -2.145   4.137
  418   2HG   GLU  45          1HG       GLU  45 -14.693  -2.452   2.953
  419    QB   GLU  45           QB       GLU  45 -13.055  -4.090   2.271
  420    QG   GLU  45           QG       GLU  45 -14.057  -2.298   3.545
  421    H    GLU  46           H        GLU  46 -10.507  -1.925   0.838
  422    HA   GLU  46           HA       GLU  46  -9.292  -4.406  -0.249
  423   1HB   GLU  46          2HB       GLU  46  -9.214  -1.583  -1.366
  424   2HB   GLU  46          1HB       GLU  46  -8.830  -3.074  -2.223
  425   1HG   GLU  46          2HG       GLU  46 -11.237  -3.802  -1.686
  426   2HG   GLU  46          1HG       GLU  46 -11.521  -2.113  -1.260
  427    QB   GLU  46           QB       GLU  46  -9.022  -2.328  -1.795
  428    QG   GLU  46           QG       GLU  46 -11.379  -2.957  -1.473
  429    H    VAL  47           H        VAL  47  -8.478  -1.188   0.863
  430    HA   VAL  47           HA       VAL  47  -5.663  -1.335   0.625
  431    HB   VAL  47           HB       VAL  47  -7.551   0.176   2.429
  432   1HG1  VAL  47          1HG1      VAL  47  -4.563  -0.034   2.586
  433   2HG1  VAL  47          3HG1      VAL  47  -5.366   1.478   3.008
  434   3HG1  VAL  47          2HG1      VAL  47  -5.746   0.000   3.894
  435   1HG2  VAL  47          1HG2      VAL  47  -5.822   0.748   0.041
  436   2HG2  VAL  47          3HG2      VAL  47  -7.509   1.173   0.320
  437   3HG2  VAL  47          2HG2      VAL  47  -6.229   2.060   1.147
  438    QG1  VAL  47           QG1      VAL  47  -5.225   0.481   3.163
  439    QG2  VAL  47           QG2      VAL  47  -6.520   1.327   0.503
  440    QQG  VAL  47           QQG      VAL  47  -5.873   0.904   1.833
  441    H    GLU  48           H        GLU  48  -7.908  -2.410   3.148
  442    HA   GLU  48           HA       GLU  48  -5.882  -3.245   5.009
  443   1HB   GLU  48          2HB       GLU  48  -7.809  -4.708   5.910
  444   2HB   GLU  48          1HB       GLU  48  -8.029  -2.960   5.945
  445   1HG   GLU  48          2HG       GLU  48  -9.755  -3.080   4.659
  446   2HG   GLU  48          1HG       GLU  48  -8.859  -3.923   3.417
  447    QB   GLU  48           QB       GLU  48  -7.919  -3.834   5.928
  448    QG   GLU  48           QG       GLU  48  -9.307  -3.502   4.038
  449    H    GLU  49           H        GLU  49  -7.985  -5.239   2.856
  450    HA   GLU  49           HA       GLU  49  -6.835  -7.722   3.255
  451   1HB   GLU  49          2HB       GLU  49  -8.710  -7.359   1.703
  452   2HB   GLU  49          1HB       GLU  49  -7.640  -6.513   0.587
  453   1HG   GLU  49          2HG       GLU  49  -6.226  -8.645   0.551
  454   2HG   GLU  49          1HG       GLU  49  -7.579  -9.434   1.363
  455    QB   GLU  49           QB       GLU  49  -8.175  -6.936   1.145
  456    QG   GLU  49           QG       GLU  49  -6.903  -9.039   0.957
  457    H    ALA  50           H        ALA  50  -5.704  -5.288   0.879
  458    HA   ALA  50           HA       ALA  50  -3.387  -6.656   0.024
  459   1HB   ALA  50          3HB       ALA  50  -4.468  -4.253  -0.588
  460   2HB   ALA  50          2HB       ALA  50  -3.139  -3.720   0.443
  461   3HB   ALA  50          1HB       ALA  50  -2.806  -4.681  -0.998
  462    QB   ALA  50           QB       ALA  50  -3.471  -4.218  -0.381
  463    H    MET  51           H        MET  51  -3.895  -4.524   2.824
  464    HA   MET  51           HA       MET  51  -1.204  -4.543   3.776
  465   1HB   MET  51          2HB       MET  51  -2.679  -2.957   4.768
  466   2HB   MET  51          1HB       MET  51  -3.877  -4.194   5.150
  467   1HG   MET  51          2HG       MET  51  -2.239  -5.229   6.729
  468   2HG   MET  51          1HG       MET  51  -1.135  -3.890   6.411
  469   1HE   MET  51          3HE       MET  51  -1.657  -1.430   6.807
  470   2HE   MET  51          2HE       MET  51  -3.195  -1.531   5.954
  471   3HE   MET  51          1HE       MET  51  -3.129  -0.789   7.550
  472    QB   MET  51           QB       MET  51  -3.278  -3.575   4.959
  473    QG   MET  51           QG       MET  51  -1.687  -4.560   6.570
  474    QE   MET  51           QE       MET  51  -2.660  -1.250   6.770
  475    H    ASP  52           H        ASP  52  -3.827  -6.855   3.991
  476    HA   ASP  52           HA       ASP  52  -2.759  -8.490   6.085
  477   1HB   ASP  52          2HB       ASP  52  -5.092  -8.657   5.139
  478   2HB   ASP  52          1HB       ASP  52  -4.397  -9.414   3.705
  479    QB   ASP  52           QB       ASP  52  -4.744  -9.036   4.422
  480    H    THR  53           H        THR  53  -2.113  -8.268   2.631
  481    HA   THR  53           HA       THR  53  -0.480 -10.688   2.569
  482    HB   THR  53           HB       THR  53   0.138  -9.908   0.296
  483    HG1  THR  53          1HG       THR  53  -0.978  -7.942  -0.374
  484   1HG2  THR  53          3HG2      THR  53  -2.074 -11.058   0.849
  485   2HG2  THR  53          2HG2      THR  53  -2.815  -9.460   0.747
  486   3HG2  THR  53          1HG2      THR  53  -2.025 -10.158  -0.667
  487    QG2  THR  53           QG2      THR  53  -2.305 -10.225   0.309
  488    H    CYS  54           H        CYS  54   1.757  -9.535   1.067
  489    HA   CYS  54           HA       CYS  54   3.877  -8.618   1.476
  490   1HB   CYS  54          1HB       CYS  54   2.239  -6.625   2.136
  491   2HB   CYS  54          2HB       CYS  54   2.814  -6.996   3.755
  492    QB   CYS  54           QB       CYS  54   2.527  -6.811   2.946
  493    HA   PRO  55           HA       PRO  55   5.226 -11.223   4.740
  494   1HB   PRO  55          2HB       PRO  55   7.854 -10.522   4.775
  495   2HB   PRO  55          1HB       PRO  55   7.146 -11.554   3.532
  496   1HG   PRO  55          2HG       PRO  55   7.812  -8.644   3.401
  497   2HG   PRO  55          1HG       PRO  55   7.963  -9.885   2.148
  498   1HD   PRO  55          2HD       PRO  55   5.927  -8.062   2.230
  499   2HD   PRO  55          1HD       PRO  55   5.782  -9.668   1.484
  500    QB   PRO  55           QB       PRO  55   7.500 -11.038   4.154
  501    QG   PRO  55           QG       PRO  55   7.888  -9.264   2.775
  502    QD   PRO  55           QD       PRO  55   5.855  -8.865   1.857
  503    H    VAL  56           H        VAL  56   7.507  -8.581   5.229
  504    HA   VAL  56           HA       VAL  56   6.912  -8.371   8.023
  505    HB   VAL  56           HB       VAL  56   8.167  -6.203   6.324
  506   1HG1  VAL  56          3HG1      VAL  56   7.557  -6.069   8.907
  507   2HG1  VAL  56          2HG1      VAL  56   9.044  -7.001   9.072
  508   3HG1  VAL  56          1HG1      VAL  56   9.078  -5.415   8.303
  509   1HG2  VAL  56          3HG2      VAL  56   9.064  -8.939   6.858
  510   2HG2  VAL  56          2HG2      VAL  56   9.707  -7.752   5.724
  511   3HG2  VAL  56          1HG2      VAL  56  10.221  -7.729   7.411
  512    QG1  VAL  56           QG1      VAL  56   8.560  -6.162   8.761
  513    QG2  VAL  56           QG2      VAL  56   9.664  -8.140   6.664
  514    QQG  VAL  56           QQG      VAL  56   9.112  -7.151   7.713
  515    H    GLN  57           H        GLN  57   5.260  -7.225   5.279
  516    HA   GLN  57           HA       GLN  57   3.407  -5.806   5.037
  517   1HB   GLN  57          2HB       GLN  57   3.214  -7.045   7.622
  518   2HB   GLN  57          1HB       GLN  57   2.647  -5.380   7.751
  519   1HG   GLN  57          2HG       GLN  57   0.810  -5.783   6.480
  520   2HG   GLN  57          1HG       GLN  57   1.711  -6.773   5.333
  521   1HE2  GLN  57          2HE2      GLN  57   0.927  -9.839   6.947
  522   2HE2  GLN  57          1HE2      GLN  57   1.877  -9.081   5.761
  523    QB   GLN  57           QB       GLN  57   2.931  -6.212   7.687
  524    QG   GLN  57           QG       GLN  57   1.261  -6.278   5.906
  525    QE2  GLN  57           QE2      GLN  57   1.402  -9.460   6.354
  526    H    CYS  58           H        CYS  58   4.948  -4.077   4.451
  527    HA   CYS  58           HA       CYS  58   5.699  -2.177   6.574
  528   1HB   CYS  58          2HB       CYS  58   6.860  -0.972   4.812
  529   2HB   CYS  58          1HB       CYS  58   7.215  -2.691   4.635
  530    HG   CYS  58           HG       CYS  58   6.307  -1.312   2.368
  531    QB   CYS  58           QB       CYS  58   7.038  -1.831   4.724
  532    H    ILE  59           H        ILE  59   2.820  -2.765   5.482
  533    HA   ILE  59           HA       ILE  59   2.111   0.048   4.793
  534    HB   ILE  59           HB       ILE  59   1.375  -1.750   3.221
  535   1HG1  ILE  59          2HG1      ILE  59  -0.813  -0.304   4.751
  536   2HG1  ILE  59          1HG1      ILE  59   0.088   0.329   3.371
  537   1HG2  ILE  59          3HG2      ILE  59   0.752  -3.081   5.618
  538   2HG2  ILE  59          2HG2      ILE  59  -0.804  -2.716   4.870
  539   3HG2  ILE  59          1HG2      ILE  59   0.410  -3.636   3.980
  540   1HD1  ILE  59          1HD1      ILE  59  -0.771  -1.664   2.046
  541   2HD1  ILE  59          3HD1      ILE  59  -1.853  -1.992   3.399
  542   3HD1  ILE  59          2HD1      ILE  59  -1.995  -0.480   2.502
  543    QG1  ILE  59           QG1      ILE  59  -0.362   0.013   4.061
  544    QG2  ILE  59           QG2      ILE  59   0.119  -3.144   4.823
  545    QD1  ILE  59           QD1      ILE  59  -1.540  -1.379   2.649
  546    H    HIS  60           H        HIS  60   0.307   1.027   5.893
  547    HA   HIS  60           HA       HIS  60  -0.966  -0.251   8.162
  548   1HB   HIS  60          2HB       HIS  60   0.132   1.765   9.632
  549   2HB   HIS  60          1HB       HIS  60   0.762   0.119   9.615
  550    HD1  HIS  60          1HD       HIS  60   2.827  -0.342   8.013
  551    HD2  HIS  60          2HD       HIS  60   1.808   3.679   8.434
  552    HE1  HIS  60          1HE       HIS  60   4.784   0.990   7.115
  553    QB   HIS  60           QB       HIS  60   0.447   0.942   9.624
  554    H    TRP  61           H        TRP  61  -1.925   1.829   9.572
  555    HA   TRP  61           HA       TRP  61  -3.214   3.503   7.466
  556   1HB   TRP  61          2HB       TRP  61  -4.148   3.001  10.303
  557   2HB   TRP  61          1HB       TRP  61  -5.042   3.824   9.034
  558    HD1  TRP  61           HD       TRP  61  -3.589   0.334   9.829
  559    HE1  TRP  61          1HE       TRP  61  -5.001  -1.414   8.555
  560    HE3  TRP  61          3HE       TRP  61  -6.647   3.441   7.238
  561    HZ2  TRP  61          2HZ       TRP  61  -7.159  -1.468   6.661
  562    HZ3  TRP  61          3HZ       TRP  61  -8.378   2.541   5.695
  563    HH2  TRP  61           HH       TRP  61  -8.636   0.088   5.408
  564    QB   TRP  61           QB       TRP  61  -4.595   3.413   9.668
  565    H    GLU  62           H        GLU  62  -3.526   5.779   7.909
  566    HA   GLU  62           HA       GLU  62  -1.563   6.880   9.878
  567   1HB   GLU  62          2HB       GLU  62  -0.685   7.301   7.684
  568   2HB   GLU  62          1HB       GLU  62  -2.264   7.812   7.082
  569   1HG   GLU  62          2HG       GLU  62  -2.121   9.886   8.067
  570   2HG   GLU  62          1HG       GLU  62  -1.167   9.292   9.426
  571    QB   GLU  62           QB       GLU  62  -1.474   7.557   7.383
  572    QG   GLU  62           QG       GLU  62  -1.644   9.589   8.746
  573    H    ASP  63           H        ASP  63  -3.071   7.341  11.515
  574    HA   ASP  63           HA       ASP  63  -5.629   8.586  10.957
  575   1HB   ASP  63          2HB       ASP  63  -4.333   7.439  13.208
  576   2HB   ASP  63          1HB       ASP  63  -4.739   9.099  13.646
  577    QB   ASP  63           QB       ASP  63  -4.536   8.269  13.427
  578    H    GLU  64           H        GLU  64  -4.960  10.422   9.641
  579    HA   GLU  64           HA       GLU  64  -4.346  12.665   9.323
  580   1HB   GLU  64          2HB       GLU  64  -5.863  12.504  11.639
  581   2HB   GLU  64          1HB       GLU  64  -4.434  13.399  12.158
  582   1HG   GLU  64          2HG       GLU  64  -6.049  15.002  11.338
  583   2HG   GLU  64          1HG       GLU  64  -4.743  14.899  10.156
  584    QB   GLU  64           QB       GLU  64  -5.149  12.951  11.899
  585    QG   GLU  64           QG       GLU  64  -5.396  14.950  10.747
   
  No H/Q in entry =         585
  Start of MODEL   14
    1    HA   ALA   1           HA       ALA   1  -9.639  11.782   9.780
    2   1HB   ALA   1          2HB       ALA   1  -7.376  13.186   8.323
    3   2HB   ALA   1          1HB       ALA   1  -8.701  12.316   7.550
    4   3HB   ALA   1          3HB       ALA   1  -9.030  13.780   8.474
    5    QB   ALA   1           QB       ALA   1  -8.369  13.094   8.116
    6    H    ARG   2           H        ARG   2  -9.208   9.655  10.300
    7    HA   ARG   2           HA       ARG   2  -6.707   8.433  10.626
    8   1HB   ARG   2          2HB       ARG   2  -7.900   6.293   9.971
    9   2HB   ARG   2          1HB       ARG   2  -8.700   7.226  11.236
   10   1HG   ARG   2          2HG       ARG   2 -10.277   8.149   9.656
   11   2HG   ARG   2          1HG       ARG   2  -9.400   7.445   8.297
   12   1HD   ARG   2          2HD       ARG   2 -10.185   5.317   8.707
   13   2HD   ARG   2          1HD       ARG   2 -10.322   5.589  10.444
   14    HE   ARG   2           HE       ARG   2 -12.444   6.725  10.043
   15   1HH1  ARG   2          1HH1      ARG   2 -11.178   7.006   7.055
   16   2HH1  ARG   2          2HH1      ARG   2 -12.485   6.272   6.186
   17   1HH2  ARG   2          1HH2      ARG   2 -14.034   5.038   9.033
   18   2HH2  ARG   2          2HH2      ARG   2 -14.103   5.160   7.307
   19    QB   ARG   2           QB       ARG   2  -8.300   6.759  10.603
   20    QG   ARG   2           QG       ARG   2  -9.839   7.797   8.976
   21    QD   ARG   2           QD       ARG   2 -10.253   5.453   9.576
   22    QH1  ARG   2           QH1      ARG   2 -11.832   6.639   6.620
   23    QH2  ARG   2           QH2      ARG   2 -14.069   5.099   8.170
   24    H    LYS   3           H        LYS   3  -5.052   8.206   9.207
   25    HA   LYS   3           HA       LYS   3  -5.730   7.940   6.309
   26   1HB   LYS   3          2HB       LYS   3  -4.359  10.034   7.471
   27   2HB   LYS   3          1HB       LYS   3  -3.062   8.980   6.917
   28   1HG   LYS   3          2HG       LYS   3  -4.896   8.965   4.812
   29   2HG   LYS   3          1HG       LYS   3  -4.867  10.644   5.354
   30   1HD   LYS   3          2HD       LYS   3  -2.903  10.929   4.298
   31   2HD   LYS   3          1HD       LYS   3  -2.178   9.722   5.361
   32   1HE   LYS   3          2HE       LYS   3  -1.846   8.558   3.433
   33   2HE   LYS   3          1HE       LYS   3  -3.546   8.126   3.612
   34   1HZ   LYS   3          1HZ       LYS   3  -4.124  10.069   2.270
   35   2HZ   LYS   3          3HZ       LYS   3  -2.479  10.426   2.066
   36   3HZ   LYS   3          2HZ       LYS   3  -3.123   8.994   1.415
   37    QB   LYS   3           QB       LYS   3  -3.711   9.507   7.194
   38    QG   LYS   3           QG       LYS   3  -4.882   9.804   5.083
   39    QD   LYS   3           QD       LYS   3  -2.541  10.325   4.829
   40    QE   LYS   3           QE       LYS   3  -2.696   8.342   3.522
   41    QZ   LYS   3           QZ       LYS   3  -3.242   9.830   1.917
   42    H    PHE   4           H        PHE   4  -2.865   7.531   5.745
   43    HA   PHE   4           HA       PHE   4  -1.628   5.451   7.112
   44   1HB   PHE   4          2HB       PHE   4  -2.391   3.451   5.779
   45   2HB   PHE   4          1HB       PHE   4  -3.629   4.093   6.855
   46    HD1  PHE   4          1HD       PHE   4  -2.417   4.126   3.333
   47    HD2  PHE   4          2HD       PHE   4  -5.686   4.924   6.002
   48    HE1  PHE   4          1HE       PHE   4  -3.920   4.466   1.389
   49    HE2  PHE   4          2HE       PHE   4  -7.190   5.265   4.059
   50    HZ   PHE   4           HZ       PHE   4  -6.307   5.036   1.753
   51    QB   PHE   4           QB       PHE   4  -3.010   3.772   6.317
   52    QD   PHE   4           QD       PHE   4  -4.052   4.525   4.668
   53    QE   PHE   4           QE       PHE   4  -5.555   4.866   2.724
   54    QR   PHE   4           QR       PHE   4  -5.104   4.763   3.307
   55    H    TYR   5           H        TYR   5  -0.393   3.927   5.384
   56    HA   TYR   5           HA       TYR   5   0.040   4.783   2.739
   57   1HB   TYR   5          2HB       TYR   5   2.223   5.968   2.998
   58   2HB   TYR   5          1HB       TYR   5   0.877   6.898   3.632
   59    HD1  TYR   5          1HD       TYR   5   0.450   6.936   6.125
   60    HD2  TYR   5          2HD       TYR   5   3.980   5.193   4.406
   61    HE1  TYR   5          1HE       TYR   5   1.566   7.009   8.338
   62    HE2  TYR   5          2HE       TYR   5   5.094   5.266   6.619
   63    HH   TYR   5           HH       TYR   5   3.802   5.378   9.324
   64    QB   TYR   5           QB       TYR   5   1.550   6.433   3.315
   65    QD   TYR   5           QD       TYR   5   2.215   6.065   5.265
   66    QE   TYR   5           QE       TYR   5   3.330   6.137   7.478
   67    QR   TYR   5           QR       TYR   5   2.773   6.101   6.372
   68    H    VAL   6           H        VAL   6   2.588   4.078   2.252
   69    HA   VAL   6           HA       VAL   6   2.967   1.673   3.976
   70    HB   VAL   6           HB       VAL   6   3.693   1.383   1.127
   71   1HG1  VAL   6          2HG1      VAL   6   2.985  -0.160   3.507
   72   2HG1  VAL   6          1HG1      VAL   6   2.190  -0.759   2.052
   73   3HG1  VAL   6          3HG1      VAL   6   3.949  -0.634   2.109
   74   1HG2  VAL   6          3HG2      VAL   6   0.982   2.137   1.970
   75   2HG2  VAL   6          2HG2      VAL   6   1.624   1.934   0.343
   76   3HG2  VAL   6          1HG2      VAL   6   1.017   0.540   1.233
   77    QG1  VAL   6           QG1      VAL   6   3.041  -0.517   2.556
   78    QG2  VAL   6           QG2      VAL   6   1.208   1.537   1.182
   79    QQG  VAL   6           QQG      VAL   6   2.125   0.510   1.869
   80    H    ASP   7           H        ASP   7   5.099   0.628   3.563
   81    HA   ASP   7           HA       ASP   7   7.167   2.733   3.249
   82   1HB   ASP   7          2HB       ASP   7   6.830   1.336   5.452
   83   2HB   ASP   7          1HB       ASP   7   7.723   0.107   4.561
   84    QB   ASP   7           QB       ASP   7   7.276   0.722   5.007
   85    H    GLN   8           H        GLN   8   7.287   2.545   1.055
   86    HA   GLN   8           HA       GLN   8   7.615   0.081  -0.371
   87   1HB   GLN   8          2HB       GLN   8   8.666   2.815  -1.121
   88   2HB   GLN   8          1HB       GLN   8   8.417   1.439  -2.185
   89   1HG   GLN   8          2HG       GLN   8   6.419   2.516  -2.571
   90   2HG   GLN   8          1HG       GLN   8   5.948   1.595  -1.144
   91   1HE2  GLN   8          2HE2      GLN   8   5.190   4.543   0.602
   92   2HE2  GLN   8          1HE2      GLN   8   4.822   2.918   0.279
   93    QB   GLN   8           QB       GLN   8   8.542   2.127  -1.653
   94    QG   GLN   8           QG       GLN   8   6.183   2.055  -1.857
   95    QE2  GLN   8           QE2      GLN   8   5.006   3.731   0.441
   96    H    ASP   9           H        ASP   9   9.260  -0.118   1.809
   97    HA   ASP   9           HA       ASP   9  12.012   0.089   0.664
   98   1HB   ASP   9          2HB       ASP   9  10.925   0.605   3.342
   99   2HB   ASP   9          1HB       ASP   9  12.324  -0.470   3.363
  100    QB   ASP   9           QB       ASP   9  11.624   0.067   3.353
  101    H    GLU  10           H        GLU  10   9.826  -1.949   2.585
  102    HA   GLU  10           HA       GLU  10  11.571  -4.297   2.139
  103   1HB   GLU  10          2HB       GLU  10   9.554  -3.535   4.074
  104   2HB   GLU  10          1HB       GLU  10   9.142  -5.089   3.350
  105   1HG   GLU  10          2HG       GLU  10  11.822  -4.382   4.584
  106   2HG   GLU  10          1HG       GLU  10  10.582  -5.389   5.335
  107    QB   GLU  10           QB       GLU  10   9.348  -4.312   3.712
  108    QG   GLU  10           QG       GLU  10  11.202  -4.885   4.959
  109    H    CYS  11           H        CYS  11   9.806  -2.755   0.082
  110    HA   CYS  11           HA       CYS  11   7.873  -4.806  -0.712
  111   1HB   CYS  11          1HB       CYS  11   7.296  -2.469  -1.096
  112   2HB   CYS  11          2HB       CYS  11   8.745  -2.245  -2.080
  113    QB   CYS  11           QB       CYS  11   8.020  -2.357  -1.588
  114    H    ILE  12           H        ILE  12   8.605  -6.623  -1.653
  115    HA   ILE  12           HA       ILE  12  11.126  -6.683  -3.128
  116    HB   ILE  12           HB       ILE  12  10.546  -9.066  -3.519
  117   1HG1  ILE  12          2HG1      ILE  12   7.989  -8.346  -2.048
  118   2HG1  ILE  12          1HG1      ILE  12   8.099  -8.741  -3.763
  119   1HG2  ILE  12          1HG2      ILE  12  10.675  -7.754  -0.891
  120   2HG2  ILE  12          3HG2      ILE  12   9.954  -9.363  -0.839
  121   3HG2  ILE  12          2HG2      ILE  12  11.576  -9.144  -1.499
  122   1HD1  ILE  12          3HD1      ILE  12   9.170 -10.647  -1.694
  123   2HD1  ILE  12          2HD1      ILE  12   7.452 -10.636  -2.091
  124   3HD1  ILE  12          1HD1      ILE  12   8.645 -10.986  -3.343
  125    QG1  ILE  12           QG1      ILE  12   8.044  -8.543  -2.906
  126    QG2  ILE  12           QG2      ILE  12  10.735  -8.754  -1.076
  127    QD1  ILE  12           QD1      ILE  12   8.423 -10.756  -2.376
  128    H    ALA  13           H        ALA  13   8.153  -5.518  -3.913
  129    HA   ALA  13           HA       ALA  13   7.365  -4.778  -6.005
  130   1HB   ALA  13          1HB       ALA  13   9.953  -5.164  -6.579
  131   2HB   ALA  13          3HB       ALA  13   9.275  -6.488  -7.526
  132   3HB   ALA  13          2HB       ALA  13   8.760  -4.830  -7.835
  133    QB   ALA  13           QB       ALA  13   9.330  -5.494  -7.313
  134    H    CYS  14           H        CYS  14   6.021  -6.813  -4.750
  135    HA   CYS  14           HA       CYS  14   5.586  -8.844  -6.895
  136   1HB   CYS  14          1HB       CYS  14   4.785 -10.334  -5.292
  137   2HB   CYS  14          2HB       CYS  14   6.043  -9.486  -4.401
  138    QB   CYS  14           QB       CYS  14   5.414  -9.910  -4.846
  139    H    GLU  15           H        GLU  15   3.290  -9.423  -7.331
  140    HA   GLU  15           HA       GLU  15   1.673  -6.966  -7.514
  141   1HB   GLU  15          2HB       GLU  15   1.484  -9.731  -8.692
  142   2HB   GLU  15          1HB       GLU  15   0.112  -8.626  -8.771
  143   1HG   GLU  15          2HG       GLU  15   1.492  -6.948  -9.903
  144   2HG   GLU  15          1HG       GLU  15   2.904  -7.997  -9.771
  145    QB   GLU  15           QB       GLU  15   0.798  -9.179  -8.731
  146    QG   GLU  15           QG       GLU  15   2.198  -7.473  -9.837
  147    H    SER  16           H        SER  16   2.116  -8.687  -4.961
  148    HA   SER  16           HA       SER  16  -0.361  -9.901  -4.251
  149   1HB   SER  16          2HB       SER  16   0.405  -9.529  -1.893
  150   2HB   SER  16          1HB       SER  16   1.637 -10.267  -2.913
  151    HG   SER  16           HG       SER  16   2.552  -8.569  -1.774
  152    QB   SER  16           QB       SER  16   1.021  -9.898  -2.403
  153    H    CYS  17           H        CYS  17   0.569  -7.117  -2.341
  154    HA   CYS  17           HA       CYS  17  -1.970  -6.139  -1.823
  155   1HB   CYS  17          1HB       CYS  17  -0.947  -4.116  -1.147
  156   2HB   CYS  17          2HB       CYS  17   0.323  -5.323  -0.952
  157    QB   CYS  17           QB       CYS  17  -0.312  -4.719  -1.049
  158    H    VAL  18           H        VAL  18   0.103  -5.172  -4.575
  159    HA   VAL  18           HA       VAL  18  -1.617  -3.277  -5.732
  160    HB   VAL  18           HB       VAL  18   0.208  -5.275  -7.099
  161   1HG1  VAL  18          1HG1      VAL  18  -1.777  -3.707  -8.275
  162   2HG1  VAL  18          3HG1      VAL  18  -0.310  -2.748  -8.469
  163   3HG1  VAL  18          2HG1      VAL  18  -0.377  -4.394  -9.098
  164   1HG2  VAL  18          2HG2      VAL  18   0.823  -3.193  -5.400
  165   2HG2  VAL  18          1HG2      VAL  18   1.900  -3.824  -6.645
  166   3HG2  VAL  18          3HG2      VAL  18   0.897  -2.413  -6.980
  167    QG1  VAL  18           QG1      VAL  18  -0.821  -3.616  -8.614
  168    QG2  VAL  18           QG2      VAL  18   1.207  -3.144  -6.341
  169    QQG  VAL  18           QQG      VAL  18   0.193  -3.380  -7.478
  170    H    GLU  19           H        GLU  19  -1.856  -6.800  -5.778
  171    HA   GLU  19           HA       GLU  19  -3.921  -6.793  -7.832
  172   1HB   GLU  19          2HB       GLU  19  -2.571  -8.829  -6.159
  173   2HB   GLU  19          1HB       GLU  19  -4.233  -9.207  -6.616
  174   1HG   GLU  19          2HG       GLU  19  -2.314  -8.197  -8.695
  175   2HG   GLU  19          1HG       GLU  19  -2.275  -9.895  -8.221
  176    QB   GLU  19           QB       GLU  19  -3.402  -9.018  -6.387
  177    QG   GLU  19           QG       GLU  19  -2.295  -9.046  -8.458
  178    H    ILE  20           H        ILE  20  -3.888  -7.028  -4.293
  179    HA   ILE  20           HA       ILE  20  -6.832  -7.072  -4.269
  180    HB   ILE  20           HB       ILE  20  -5.040  -6.674  -1.887
  181   1HG1  ILE  20          2HG1      ILE  20  -5.870  -9.334  -2.202
  182   2HG1  ILE  20          1HG1      ILE  20  -4.981  -8.838  -3.625
  183   1HG2  ILE  20          3HG2      ILE  20  -7.742  -6.599  -2.090
  184   2HG2  ILE  20          2HG2      ILE  20  -7.476  -8.316  -1.784
  185   3HG2  ILE  20          1HG2      ILE  20  -6.886  -7.112  -0.637
  186   1HD1  ILE  20          3HD1      ILE  20  -3.165  -7.997  -2.151
  187   2HD1  ILE  20          2HD1      ILE  20  -4.048  -8.619  -0.757
  188   3HD1  ILE  20          1HD1      ILE  20  -3.422  -9.733  -1.972
  189    QG1  ILE  20           QG1      ILE  20  -5.425  -9.086  -2.914
  190    QG2  ILE  20           QG2      ILE  20  -7.368  -7.342  -1.504
  191    QD1  ILE  20           QD1      ILE  20  -3.545  -8.783  -1.627
  192    H    ALA  21           H        ALA  21  -4.924  -4.788  -5.258
  193    HA   ALA  21           HA       ALA  21  -6.621  -2.606  -4.796
  194   1HB   ALA  21          2HB       ALA  21  -4.475  -2.909  -2.688
  195   2HB   ALA  21          1HB       ALA  21  -5.182  -1.342  -3.084
  196   3HB   ALA  21          3HB       ALA  21  -6.201  -2.636  -2.453
  197    QB   ALA  21           QB       ALA  21  -5.286  -2.296  -2.741
  198    HA   PRO  22           HA       PRO  22  -2.838  -2.158  -7.481
  199   1HB   PRO  22          2HB       PRO  22  -4.115  -2.196  -9.878
  200   2HB   PRO  22          1HB       PRO  22  -3.524  -3.652  -9.078
  201   1HG   PRO  22          2HG       PRO  22  -6.305  -2.577  -9.214
  202   2HG   PRO  22          1HG       PRO  22  -5.752  -4.260  -9.236
  203   1HD   PRO  22          2HD       PRO  22  -6.816  -3.017  -7.027
  204   2HD   PRO  22          1HD       PRO  22  -5.715  -4.409  -6.956
  205    QB   PRO  22           QB       PRO  22  -3.820  -2.924  -9.478
  206    QG   PRO  22           QG       PRO  22  -6.029  -3.418  -9.225
  207    QD   PRO  22           QD       PRO  22  -6.265  -3.713  -6.991
  208    H    GLY  23           H        GLY  23  -5.939  -0.613  -7.167
  209   1HA   GLY  23          2HA       GLY  23  -5.251   1.712  -8.801
  210   2HA   GLY  23          1HA       GLY  23  -6.667   1.563  -7.758
  211    QA   GLY  23           QA       GLY  23  -5.959   1.637  -8.279
  212    H    ALA  24           H        ALA  24  -5.351   0.961  -5.318
  213    HA   ALA  24           HA       ALA  24  -4.352   3.651  -4.648
  214   1HB   ALA  24          1HB       ALA  24  -5.016   1.209  -2.989
  215   2HB   ALA  24          3HB       ALA  24  -4.350   2.689  -2.297
  216   3HB   ALA  24          2HB       ALA  24  -5.924   2.719  -3.092
  217    QB   ALA  24           QB       ALA  24  -5.096   2.206  -2.793
  218    H    PHE  25           H        PHE  25  -3.143   0.342  -4.859
  219    HA   PHE  25           HA       PHE  25  -0.441   1.315  -4.031
  220   1HB   PHE  25          2HB       PHE  25  -1.908  -1.013  -3.386
  221   2HB   PHE  25          1HB       PHE  25  -0.640  -1.552  -4.480
  222    HD1  PHE  25          1HD       PHE  25  -1.226  -1.626  -1.231
  223    HD2  PHE  25          2HD       PHE  25   1.576   0.272  -3.875
  224    HE1  PHE  25          1HE       PHE  25   0.433  -1.509   0.609
  225    HE2  PHE  25          2HE       PHE  25   3.229   0.388  -2.028
  226    HZ   PHE  25           HZ       PHE  25   2.665  -0.502   0.200
  227    QB   PHE  25           QB       PHE  25  -1.274  -1.282  -3.933
  228    QD   PHE  25           QD       PHE  25   0.175  -0.677  -2.553
  229    QE   PHE  25           QE       PHE  25   1.831  -0.561  -0.709
  230    QR   PHE  25           QR       PHE  25   1.335  -0.595  -1.265
  231    H    ALA  26           H        ALA  26   1.288   1.148  -5.495
  232    HA   ALA  26           HA       ALA  26   1.162  -0.423  -7.916
  233   1HB   ALA  26          2HB       ALA  26  -0.107   2.131  -8.000
  234   2HB   ALA  26          1HB       ALA  26   1.372   2.233  -8.956
  235   3HB   ALA  26          3HB       ALA  26   0.161   1.007  -9.332
  236    QB   ALA  26           QB       ALA  26   0.475   1.791  -8.763
  237    H    MET  27           H        MET  27   3.268  -0.825  -8.463
  238    HA   MET  27           HA       MET  27   5.433   0.399  -7.068
  239   1HB   MET  27          2HB       MET  27   6.871  -0.722  -8.819
  240   2HB   MET  27          1HB       MET  27   5.749  -1.807  -7.997
  241   1HG   MET  27          2HG       MET  27   4.502  -2.151  -9.876
  242   2HG   MET  27          1HG       MET  27   4.669  -0.479 -10.412
  243   1HE   MET  27          3HE       MET  27   7.044   0.446 -10.695
  244   2HE   MET  27          2HE       MET  27   8.107  -0.234 -11.925
  245   3HE   MET  27          1HE       MET  27   6.468   0.248 -12.356
  246    QB   MET  27           QB       MET  27   6.310  -1.265  -8.408
  247    QG   MET  27           QG       MET  27   4.585  -1.315 -10.144
  248    QE   MET  27           QE       MET  27   7.207   0.153 -11.659
  249    H    ASP  28           H        ASP  28   7.122   1.896  -7.912
  250    HA   ASP  28           HA       ASP  28   6.167   3.381 -10.331
  251   1HB   ASP  28          2HB       ASP  28   5.861   4.310  -7.757
  252   2HB   ASP  28          1HB       ASP  28   7.432   4.970  -8.209
  253    QB   ASP  28           QB       ASP  28   6.646   4.640  -7.983
  254    HA   PRO  29           HA       PRO  29  10.475   3.216 -11.207
  255   1HB   PRO  29          2HB       PRO  29  10.808   5.399 -12.793
  256   2HB   PRO  29          1HB       PRO  29   9.952   3.953 -13.327
  257   1HG   PRO  29          2HG       PRO  29   8.864   6.590 -12.589
  258   2HG   PRO  29          1HG       PRO  29   8.150   5.325 -13.598
  259   1HD   PRO  29          2HD       PRO  29   7.542   5.938 -10.888
  260   2HD   PRO  29          1HD       PRO  29   6.897   4.607 -11.857
  261    QB   PRO  29           QB       PRO  29  10.380   4.676 -13.060
  262    QG   PRO  29           QG       PRO  29   8.507   5.958 -13.093
  263    QD   PRO  29           QD       PRO  29   7.220   5.273 -11.372
  264    H    GLU  30           H        GLU  30   9.049   5.890  -9.625
  265    HA   GLU  30           HA       GLU  30  11.595   7.202  -8.919
  266   1HB   GLU  30          2HB       GLU  30   8.941   8.060  -9.050
  267   2HB   GLU  30          1HB       GLU  30   9.253   7.930  -7.318
  268   1HG   GLU  30          2HG       GLU  30  11.560   9.109  -8.484
  269   2HG   GLU  30          1HG       GLU  30  10.159   9.953  -9.146
  270    QB   GLU  30           QB       GLU  30   9.097   7.995  -8.184
  271    QG   GLU  30           QG       GLU  30  10.859   9.531  -8.815
  272    H    ILE  31           H        ILE  31   9.111   5.127  -7.506
  273    HA   ILE  31           HA       ILE  31  10.831   4.747  -5.133
  274    HB   ILE  31           HB       ILE  31   8.689   3.437  -4.347
  275   1HG1  ILE  31          2HG1      ILE  31   7.727   3.960  -6.731
  276   2HG1  ILE  31          1HG1      ILE  31   6.669   4.055  -5.329
  277   1HG2  ILE  31          3HG2      ILE  31   9.172   6.410  -4.378
  278   2HG2  ILE  31          2HG2      ILE  31   7.778   5.727  -3.542
  279   3HG2  ILE  31          1HG2      ILE  31   9.409   5.265  -3.057
  280   1HD1  ILE  31          2HD1      ILE  31   7.061   6.502  -5.206
  281   2HD1  ILE  31          1HD1      ILE  31   8.077   6.404  -6.642
  282   3HD1  ILE  31          3HD1      ILE  31   6.358   6.035  -6.753
  283    QG1  ILE  31           QG1      ILE  31   7.198   4.008  -6.030
  284    QG2  ILE  31           QG2      ILE  31   8.787   5.801  -3.659
  285    QD1  ILE  31           QD1      ILE  31   7.166   6.314  -6.200
  286    H    GLU  32           H        GLU  32  10.456   3.501  -8.075
  287    HA   GLU  32           HA       GLU  32  10.502   1.305  -8.977
  288   1HB   GLU  32          2HB       GLU  32  12.818   1.515  -7.035
  289   2HB   GLU  32          1HB       GLU  32  12.647   0.179  -8.173
  290   1HG   GLU  32          2HG       GLU  32  12.240   2.637  -9.590
  291   2HG   GLU  32          1HG       GLU  32  13.738   2.763  -8.666
  292    QB   GLU  32           QB       GLU  32  12.733   0.847  -7.604
  293    QG   GLU  32           QG       GLU  32  12.989   2.700  -9.128
  294    H    LYS  33           H        LYS  33   8.612   1.472  -6.907
  295    HA   LYS  33           HA       LYS  33   8.383  -1.336  -6.190
  296   1HB   LYS  33          2HB       LYS  33   9.665   0.509  -4.249
  297   2HB   LYS  33          1HB       LYS  33   8.423  -0.560  -3.600
  298   1HG   LYS  33          2HG       LYS  33   9.911  -2.242  -3.593
  299   2HG   LYS  33          1HG       LYS  33  10.014  -2.127  -5.349
  300   1HD   LYS  33          2HD       LYS  33  11.632  -0.124  -4.860
  301   2HD   LYS  33          1HD       LYS  33  11.779  -0.868  -3.267
  302   1HE   LYS  33          2HE       LYS  33  12.103  -2.520  -5.766
  303   2HE   LYS  33          1HE       LYS  33  13.456  -1.596  -5.115
  304   1HZ   LYS  33          3HZ       LYS  33  12.681  -2.741  -2.905
  305   2HZ   LYS  33          2HZ       LYS  33  12.058  -3.902  -3.978
  306   3HZ   LYS  33          1HZ       LYS  33  13.717  -3.536  -3.986
  307    QB   LYS  33           QB       LYS  33   9.044  -0.025  -3.924
  308    QG   LYS  33           QG       LYS  33   9.962  -2.184  -4.471
  309    QD   LYS  33           QD       LYS  33  11.705  -0.496  -4.064
  310    QE   LYS  33           QE       LYS  33  12.780  -2.058  -5.440
  311    QZ   LYS  33           QZ       LYS  33  12.819  -3.393  -3.623
  312    H    ALA  34           H        ALA  34   6.376  -1.791  -5.128
  313    HA   ALA  34           HA       ALA  34   4.196  -0.170  -5.831
  314   1HB   ALA  34          1HB       ALA  34   4.537  -2.268  -3.689
  315   2HB   ALA  34          3HB       ALA  34   2.995  -1.450  -3.938
  316   3HB   ALA  34          2HB       ALA  34   3.704  -2.408  -5.237
  317    QB   ALA  34           QB       ALA  34   3.745  -2.042  -4.288
  318    H    TYR  35           H        TYR  35   2.920   1.312  -4.656
  319    HA   TYR  35           HA       TYR  35   3.743   2.172  -1.966
  320   1HB   TYR  35          2HB       TYR  35   4.417   4.370  -2.486
  321   2HB   TYR  35          1HB       TYR  35   5.232   3.389  -3.695
  322    HD1  TYR  35          1HD       TYR  35   2.624   2.872  -5.356
  323    HD2  TYR  35          2HD       TYR  35   4.458   6.411  -3.779
  324    HE1  TYR  35          1HE       TYR  35   1.591   4.201  -7.165
  325    HE2  TYR  35          2HE       TYR  35   3.415   7.752  -5.586
  326    HH   TYR  35           HH       TYR  35   2.526   7.393  -7.859
  327    QB   TYR  35           QB       TYR  35   4.824   3.880  -3.090
  328    QD   TYR  35           QD       TYR  35   3.541   4.641  -4.567
  329    QE   TYR  35           QE       TYR  35   2.503   5.976  -6.375
  330    QR   TYR  35           QR       TYR  35   3.022   5.309  -5.471
  331    H    VAL  36           H        VAL  36   2.100   3.323  -0.915
  332    HA   VAL  36           HA       VAL  36  -0.544   3.074  -2.190
  333    HB   VAL  36           HB       VAL  36   0.502   3.466   0.584
  334   1HG1  VAL  36          2HG1      VAL  36  -1.977   4.721  -0.460
  335   2HG1  VAL  36          1HG1      VAL  36  -2.133   3.829   1.053
  336   3HG1  VAL  36          3HG1      VAL  36  -0.988   5.165   0.931
  337   1HG2  VAL  36          2HG2      VAL  36  -0.210   1.264  -0.446
  338   2HG2  VAL  36          1HG2      VAL  36  -1.026   1.671   1.065
  339   3HG2  VAL  36          3HG2      VAL  36  -1.858   1.892  -0.475
  340    QG1  VAL  36           QG1      VAL  36  -1.699   4.572   0.508
  341    QG2  VAL  36           QG2      VAL  36  -1.031   1.609   0.048
  342    QQG  VAL  36           QQG      VAL  36  -1.365   3.090   0.278
  343    H    LYS  37           H        LYS  37  -0.774   4.731  -3.682
  344    HA   LYS  37           HA       LYS  37  -0.304   7.504  -2.649
  345   1HB   LYS  37          2HB       LYS  37   0.135   8.201  -4.915
  346   2HB   LYS  37          1HB       LYS  37   1.111   6.769  -4.593
  347   1HG   LYS  37          2HG       LYS  37   0.094   5.631  -6.248
  348   2HG   LYS  37          1HG       LYS  37  -1.495   5.997  -5.586
  349   1HD   LYS  37          2HD       LYS  37   0.104   7.973  -7.227
  350   2HD   LYS  37          1HD       LYS  37  -1.092   6.881  -7.926
  351   1HE   LYS  37          2HE       LYS  37  -2.550   7.916  -5.894
  352   2HE   LYS  37          1HE       LYS  37  -1.489   9.284  -6.230
  353   1HZ   LYS  37          3HZ       LYS  37  -2.392   8.176  -8.656
  354   2HZ   LYS  37          2HZ       LYS  37  -3.733   8.483  -7.659
  355   3HZ   LYS  37          1HZ       LYS  37  -2.650   9.735  -8.042
  356    QB   LYS  37           QB       LYS  37   0.623   7.485  -4.754
  357    QG   LYS  37           QG       LYS  37  -0.701   5.814  -5.917
  358    QD   LYS  37           QD       LYS  37  -0.494   7.427  -7.577
  359    QE   LYS  37           QE       LYS  37  -2.019   8.600  -6.062
  360    QZ   LYS  37           QZ       LYS  37  -2.925   8.798  -8.119
  361    H    ASP  38           H        ASP  38  -2.655   5.379  -4.170
  362    HA   ASP  38           HA       ASP  38  -4.555   7.688  -4.240
  363   1HB   ASP  38          2HB       ASP  38  -4.246   6.692  -6.441
  364   2HB   ASP  38          1HB       ASP  38  -4.591   5.086  -5.797
  365    QB   ASP  38           QB       ASP  38  -4.419   5.889  -6.119
  366    H    VAL  39           H        VAL  39  -5.254   7.531  -2.078
  367    HA   VAL  39           HA       VAL  39  -5.998   5.115  -0.758
  368    HB   VAL  39           HB       VAL  39  -7.221   6.574   0.797
  369   1HG1  VAL  39          1HG1      VAL  39  -4.588   7.650  -0.243
  370   2HG1  VAL  39          3HG1      VAL  39  -5.349   8.241   1.234
  371   3HG1  VAL  39          2HG1      VAL  39  -4.841   6.556   1.116
  372   1HG2  VAL  39          2HG2      VAL  39  -7.631   8.117  -1.532
  373   2HG2  VAL  39          1HG2      VAL  39  -8.187   8.490   0.099
  374   3HG2  VAL  39          3HG2      VAL  39  -6.637   9.111  -0.468
  375    QG1  VAL  39           QG1      VAL  39  -4.926   7.482   0.702
  376    QG2  VAL  39           QG2      VAL  39  -7.485   8.573  -0.634
  377    QQG  VAL  39           QQG      VAL  39  -6.206   8.028   0.034
  378    H    GLU  40           H        GLU  40  -7.597   7.033  -3.171
  379    HA   GLU  40           HA       GLU  40 -10.202   5.717  -2.674
  380   1HB   GLU  40          2HB       GLU  40  -9.242   7.997  -4.362
  381   2HB   GLU  40          1HB       GLU  40 -10.709   7.148  -4.854
  382   1HG   GLU  40          2HG       GLU  40 -11.904   7.863  -3.027
  383   2HG   GLU  40          1HG       GLU  40 -10.484   7.895  -1.980
  384    QB   GLU  40           QB       GLU  40  -9.976   7.572  -4.608
  385    QG   GLU  40           QG       GLU  40 -11.194   7.879  -2.503
  386    H    GLY  41           H        GLY  41  -7.404   4.855  -4.174
  387   1HA   GLY  41          2HA       GLY  41  -8.604   3.731  -6.618
  388   2HA   GLY  41          1HA       GLY  41  -6.913   3.592  -6.137
  389    QA   GLY  41           QA       GLY  41  -7.759   3.662  -6.378
  390    H    ALA  42           H        ALA  42  -8.651   2.846  -3.435
  391    HA   ALA  42           HA       ALA  42  -9.408   0.108  -4.091
  392   1HB   ALA  42          2HB       ALA  42  -6.909   0.615  -2.447
  393   2HB   ALA  42          1HB       ALA  42  -7.706  -0.950  -2.609
  394   3HB   ALA  42          3HB       ALA  42  -6.981  -0.179  -4.019
  395    QB   ALA  42           QB       ALA  42  -7.199  -0.171  -3.025
  396    H    SER  43           H        SER  43 -10.947  -0.515  -2.645
  397    HA   SER  43           HA       SER  43 -11.868   1.236  -0.596
  398   1HB   SER  43          2HB       SER  43 -12.603  -1.518  -0.081
  399   2HB   SER  43          1HB       SER  43 -13.619  -0.178  -0.606
  400    HG   SER  43           HG       SER  43 -13.354  -0.762  -2.640
  401    QB   SER  43           QB       SER  43 -13.111  -0.848  -0.344
  402    H    GLN  44           H        GLN  44 -12.095   0.456   1.759
  403    HA   GLN  44           HA       GLN  44  -9.439   0.124   2.859
  404   1HB   GLN  44          2HB       GLN  44 -11.655   1.262   3.829
  405   2HB   GLN  44          1HB       GLN  44 -11.867  -0.341   4.538
  406   1HG   GLN  44          2HG       GLN  44  -9.593  -0.204   5.509
  407   2HG   GLN  44          1HG       GLN  44  -9.407   1.412   4.825
  408   1HE2  GLN  44          2HE2      GLN  44 -12.157   0.950   7.861
  409   2HE2  GLN  44          1HE2      GLN  44 -11.896  -0.337   6.786
  410    QB   GLN  44           QB       GLN  44 -11.761   0.460   4.184
  411    QG   GLN  44           QG       GLN  44  -9.500   0.604   5.167
  412    QE2  GLN  44           QE2      GLN  44 -12.026   0.306   7.324
  413    H    GLU  45           H        GLU  45 -12.278  -2.011   2.540
  414    HA   GLU  45           HA       GLU  45 -11.111  -4.211   3.982
  415   1HB   GLU  45          2HB       GLU  45 -13.252  -4.179   1.835
  416   2HB   GLU  45          1HB       GLU  45 -12.845  -5.580   2.828
  417   1HG   GLU  45          2HG       GLU  45 -13.273  -3.207   4.460
  418   2HG   GLU  45          1HG       GLU  45 -14.688  -3.575   3.472
  419    QB   GLU  45           QB       GLU  45 -13.048  -4.879   2.331
  420    QG   GLU  45           QG       GLU  45 -13.980  -3.391   3.966
  421    H    GLU  46           H        GLU  46 -10.764  -3.027   0.722
  422    HA   GLU  46           HA       GLU  46  -9.405  -5.510  -0.142
  423   1HB   GLU  46          2HB       GLU  46  -9.504  -4.655  -2.326
  424   2HB   GLU  46          1HB       GLU  46 -10.966  -3.989  -1.606
  425   1HG   GLU  46          2HG       GLU  46  -9.966  -1.849  -1.294
  426   2HG   GLU  46          1HG       GLU  46  -8.353  -2.478  -1.625
  427    QB   GLU  46           QB       GLU  46 -10.235  -4.322  -1.966
  428    QG   GLU  46           QG       GLU  46  -9.159  -2.164  -1.460
  429    H    VAL  47           H        VAL  47  -8.859  -2.207   0.761
  430    HA   VAL  47           HA       VAL  47  -6.046  -2.090   0.194
  431    HB   VAL  47           HB       VAL  47  -7.930  -0.589   2.012
  432   1HG1  VAL  47          3HG1      VAL  47  -4.919  -0.354   1.905
  433   2HG1  VAL  47          2HG1      VAL  47  -5.977   0.888   2.579
  434   3HG1  VAL  47          1HG1      VAL  47  -5.913  -0.714   3.316
  435   1HG2  VAL  47          2HG2      VAL  47  -7.384  -0.303  -0.612
  436   2HG2  VAL  47          1HG2      VAL  47  -7.769   1.071   0.425
  437   3HG2  VAL  47          3HG2      VAL  47  -6.087   0.693   0.050
  438    QG1  VAL  47           QG1      VAL  47  -5.603  -0.060   2.600
  439    QG2  VAL  47           QG2      VAL  47  -7.080   0.487  -0.046
  440    QQG  VAL  47           QQG      VAL  47  -6.341   0.213   1.277
  441    H    GLU  48           H        GLU  48  -8.012  -3.316   2.846
  442    HA   GLU  48           HA       GLU  48  -5.886  -3.775   4.702
  443   1HB   GLU  48          2HB       GLU  48  -8.732  -4.071   4.479
  444   2HB   GLU  48          1HB       GLU  48  -8.041  -5.572   5.057
  445   1HG   GLU  48          2HG       GLU  48  -6.635  -3.736   6.511
  446   2HG   GLU  48          1HG       GLU  48  -8.202  -2.947   6.364
  447    QB   GLU  48           QB       GLU  48  -8.386  -4.822   4.768
  448    QG   GLU  48           QG       GLU  48  -7.419  -3.342   6.438
  449    H    GLU  49           H        GLU  49  -7.836  -6.036   2.694
  450    HA   GLU  49           HA       GLU  49  -6.238  -8.328   3.105
  451   1HB   GLU  49          2HB       GLU  49  -8.052  -7.407   0.906
  452   2HB   GLU  49          1HB       GLU  49  -7.024  -8.810   0.605
  453   1HG   GLU  49          2HG       GLU  49  -9.030  -9.715   1.497
  454   2HG   GLU  49          1HG       GLU  49  -7.898  -9.717   2.849
  455    QB   GLU  49           QB       GLU  49  -7.538  -8.108   0.755
  456    QG   GLU  49           QG       GLU  49  -8.464  -9.716   2.173
  457    H    ALA  50           H        ALA  50  -5.857  -5.666   0.791
  458    HA   ALA  50           HA       ALA  50  -3.565  -6.817  -0.561
  459   1HB   ALA  50          2HB       ALA  50  -5.154  -4.883  -1.326
  460   2HB   ALA  50          1HB       ALA  50  -4.088  -3.854  -0.371
  461   3HB   ALA  50          3HB       ALA  50  -3.440  -4.777  -1.726
  462    QB   ALA  50           QB       ALA  50  -4.228  -4.505  -1.141
  463    H    MET  51           H        MET  51  -4.048  -5.226   2.443
  464    HA   MET  51           HA       MET  51  -1.231  -4.364   2.674
  465   1HB   MET  51          2HB       MET  51  -3.033  -2.912   3.554
  466   2HB   MET  51          1HB       MET  51  -3.518  -4.198   4.660
  467   1HG   MET  51          2HG       MET  51  -1.084  -4.147   5.503
  468   2HG   MET  51          1HG       MET  51  -0.953  -2.607   4.653
  469   1HE   MET  51          3HE       MET  51  -2.739  -0.928   4.700
  470   2HE   MET  51          2HE       MET  51  -3.391  -0.279   6.202
  471   3HE   MET  51          1HE       MET  51  -1.651  -0.278   5.934
  472    QB   MET  51           QB       MET  51  -3.276  -3.555   4.107
  473    QG   MET  51           QG       MET  51  -1.018  -3.377   5.078
  474    QE   MET  51           QE       MET  51  -2.594  -0.495   5.612
  475    H    ASP  52           H        ASP  52  -3.198  -7.085   3.473
  476    HA   ASP  52           HA       ASP  52  -1.228  -7.997   5.510
  477   1HB   ASP  52          2HB       ASP  52  -4.043  -8.272   5.261
  478   2HB   ASP  52          1HB       ASP  52  -3.352  -9.883   5.069
  479    QB   ASP  52           QB       ASP  52  -3.697  -9.077   5.165
  480    H    THR  53           H        THR  53  -2.104  -8.449   2.212
  481    HA   THR  53           HA       THR  53  -1.155 -11.176   1.951
  482    HB   THR  53           HB       THR  53  -2.689 -10.167   0.299
  483    HG1  THR  53          1HG       THR  53  -1.211 -11.830  -0.321
  484   1HG2  THR  53          2HG2      THR  53  -0.395  -8.259   0.012
  485   2HG2  THR  53          1HG2      THR  53  -1.411  -8.598  -1.391
  486   3HG2  THR  53          3HG2      THR  53  -2.126  -7.924   0.074
  487    QG2  THR  53           QG2      THR  53  -1.311  -8.261  -0.435
  488    H    CYS  54           H        CYS  54   0.422  -8.217   2.447
  489    HA   CYS  54           HA       CYS  54   2.824  -8.707   0.911
  490   1HB   CYS  54          1HB       CYS  54   2.015  -6.476   1.932
  491   2HB   CYS  54          2HB       CYS  54   2.689  -7.073   3.447
  492    QB   CYS  54           QB       CYS  54   2.352  -6.775   2.689
  493    HA   PRO  55           HA       PRO  55   4.861 -11.557   3.533
  494   1HB   PRO  55          2HB       PRO  55   7.467 -10.823   3.257
  495   2HB   PRO  55          1HB       PRO  55   6.562 -11.661   1.997
  496   1HG   PRO  55          2HG       PRO  55   7.241  -8.762   2.211
  497   2HG   PRO  55          1HG       PRO  55   7.142  -9.787   0.772
  498   1HD   PRO  55          2HD       PRO  55   5.193  -8.007   1.526
  499   2HD   PRO  55          1HD       PRO  55   4.896  -9.442   0.525
  500    QB   PRO  55           QB       PRO  55   7.014 -11.242   2.627
  501    QG   PRO  55           QG       PRO  55   7.192  -9.275   1.491
  502    QD   PRO  55           QD       PRO  55   5.044  -8.725   1.025
  503    H    VAL  56           H        VAL  56   7.177  -8.938   4.046
  504    HA   VAL  56           HA       VAL  56   6.997  -9.186   6.915
  505    HB   VAL  56           HB       VAL  56   9.069  -8.420   5.902
  506   1HG1  VAL  56          3HG1      VAL  56   7.228  -6.721   4.415
  507   2HG1  VAL  56          2HG1      VAL  56   8.563  -5.790   5.093
  508   3HG1  VAL  56          1HG1      VAL  56   8.893  -7.162   4.036
  509   1HG2  VAL  56          2HG2      VAL  56   7.737  -7.122   8.013
  510   2HG2  VAL  56          1HG2      VAL  56   9.471  -7.102   7.688
  511   3HG2  VAL  56          3HG2      VAL  56   8.437  -5.827   7.042
  512    QG1  VAL  56           QG1      VAL  56   8.228  -6.558   4.515
  513    QG2  VAL  56           QG2      VAL  56   8.548  -6.683   7.581
  514    QQG  VAL  56           QQG      VAL  56   8.388  -6.621   6.048
  515    H    GLN  57           H        GLN  57   5.298  -7.324   4.536
  516    HA   GLN  57           HA       GLN  57   3.424  -5.928   4.768
  517   1HB   GLN  57          2HB       GLN  57   3.353  -7.596   7.017
  518   2HB   GLN  57          1HB       GLN  57   3.201  -5.965   7.672
  519   1HG   GLN  57          2HG       GLN  57   1.410  -5.531   5.945
  520   2HG   GLN  57          1HG       GLN  57   1.475  -7.245   5.536
  521   1HE2  GLN  57          2HE2      GLN  57   0.165  -8.229   8.806
  522   2HE2  GLN  57          1HE2      GLN  57   1.387  -8.686   7.719
  523    QB   GLN  57           QB       GLN  57   3.277  -6.780   7.345
  524    QG   GLN  57           QG       GLN  57   1.443  -6.388   5.741
  525    QE2  GLN  57           QE2      GLN  57   0.776  -8.458   8.263
  526    H    CYS  58           H        CYS  58   5.925  -4.727   4.642
  527    HA   CYS  58           HA       CYS  58   6.417  -2.891   6.811
  528   1HB   CYS  58          2HB       CYS  58   7.707  -3.588   4.427
  529   2HB   CYS  58          1HB       CYS  58   7.266  -1.894   4.211
  530    HG   CYS  58           HG       CYS  58   9.323  -2.959   6.219
  531    QB   CYS  58           QB       CYS  58   7.486  -2.741   4.319
  532    H    ILE  59           H        ILE  59   3.867  -2.516   6.782
  533    HA   ILE  59           HA       ILE  59   3.430   0.041   5.297
  534    HB   ILE  59           HB       ILE  59   2.190  -1.847   4.224
  535   1HG1  ILE  59          2HG1      ILE  59   0.173  -0.100   5.614
  536   2HG1  ILE  59          1HG1      ILE  59   1.349   0.620   4.515
  537   1HG2  ILE  59          1HG2      ILE  59   1.893  -2.905   6.635
  538   2HG2  ILE  59          3HG2      ILE  59   0.408  -1.953   6.632
  539   3HG2  ILE  59          2HG2      ILE  59   0.678  -3.172   5.386
  540   1HD1  ILE  59          2HD1      ILE  59   0.383  -1.658   3.176
  541   2HD1  ILE  59          1HD1      ILE  59  -1.039  -0.891   3.883
  542   3HD1  ILE  59          3HD1      ILE  59   0.012   0.027   2.804
  543    QG1  ILE  59           QG1      ILE  59   0.761   0.260   5.065
  544    QG2  ILE  59           QG2      ILE  59   0.993  -2.677   6.218
  545    QD1  ILE  59           QD1      ILE  59  -0.215  -0.841   3.288
  546    H    HIS  60           H        HIS  60   1.793   1.462   6.391
  547    HA   HIS  60           HA       HIS  60   1.006   0.740   9.120
  548   1HB   HIS  60          2HB       HIS  60   2.856   3.111   8.814
  549   2HB   HIS  60          1HB       HIS  60   2.314   2.338  10.304
  550    HD1  HIS  60          1HD       HIS  60   4.604   1.765   7.347
  551    HD2  HIS  60          2HD       HIS  60   3.831   0.109  11.095
  552    HE1  HIS  60          1HE       HIS  60   6.438   0.070   7.774
  553    QB   HIS  60           QB       HIS  60   2.585   2.724   9.559
  554    H    TRP  61           H        TRP  61  -0.592   2.154   9.931
  555    HA   TRP  61           HA       TRP  61  -1.867   3.851   7.894
  556   1HB   TRP  61          2HB       TRP  61  -2.654   3.170  10.742
  557   2HB   TRP  61          1HB       TRP  61  -3.623   4.151   9.649
  558    HD1  TRP  61           HD       TRP  61  -2.066   0.608   9.782
  559    HE1  TRP  61          1HE       TRP  61  -3.604  -0.977   8.446
  560    HE3  TRP  61          3HE       TRP  61  -5.474   3.963   8.081
  561    HZ2  TRP  61          2HZ       TRP  61  -5.990  -0.823   6.849
  562    HZ3  TRP  61          3HZ       TRP  61  -7.376   3.239   6.654
  563    HH2  TRP  61           HH       TRP  61  -7.635   0.849   6.040
  564    QB   TRP  61           QB       TRP  61  -3.138   3.661  10.195
  565    H    GLU  62           H        GLU  62  -2.856   5.992   9.143
  566    HA   GLU  62           HA       GLU  62  -0.596   7.293  10.576
  567   1HB   GLU  62          2HB       GLU  62  -0.147   8.023   8.384
  568   2HB   GLU  62          1HB       GLU  62  -1.856   8.163   7.979
  569   1HG   GLU  62          2HG       GLU  62  -1.968  10.282   8.774
  570   2HG   GLU  62          1HG       GLU  62  -1.096   9.853  10.248
  571    QB   GLU  62           QB       GLU  62  -1.001   8.093   8.181
  572    QG   GLU  62           QG       GLU  62  -1.532  10.068   9.511
  573    H    ASP  63           H        ASP  63  -2.080   7.038  12.404
  574    HA   ASP  63           HA       ASP  63  -4.575   8.627  12.299
  575   1HB   ASP  63          2HB       ASP  63  -4.795   6.512  13.418
  576   2HB   ASP  63          1HB       ASP  63  -3.362   6.814  14.400
  577    QB   ASP  63           QB       ASP  63  -4.078   6.663  13.909
  578    H    GLU  64           H        GLU  64  -3.688  10.759  12.190
  579    HA   GLU  64           HA       GLU  64  -3.064  12.778  13.231
  580   1HB   GLU  64          2HB       GLU  64  -3.890  11.157  15.363
  581   2HB   GLU  64          1HB       GLU  64  -2.290  11.732  15.834
  582   1HG   GLU  64          2HG       GLU  64  -3.489  13.550  16.550
  583   2HG   GLU  64          1HG       GLU  64  -3.314  14.032  14.862
  584    QB   GLU  64           QB       GLU  64  -3.090  11.444  15.599
  585    QG   GLU  64           QG       GLU  64  -3.401  13.791  15.706
   
  No H/Q in entry =         585
  Start of MODEL   15
    1    HA   ALA   1           HA       ALA   1  -9.620  11.218   8.719
    2   1HB   ALA   1          2HB       ALA   1 -12.480  10.255   8.595
    3   2HB   ALA   1          1HB       ALA   1 -11.460   9.948  10.001
    4   3HB   ALA   1          3HB       ALA   1 -11.822  11.605   9.519
    5    QB   ALA   1           QB       ALA   1 -11.921  10.603   9.372
    6    H    ARG   2           H        ARG   2  -8.506   9.423   9.500
    7    HA   ARG   2           HA       ARG   2  -7.591   7.264   9.482
    8   1HB   ARG   2          2HB       ARG   2 -10.188   6.505   8.109
    9   2HB   ARG   2          1HB       ARG   2  -9.068   5.407   8.916
   10   1HG   ARG   2          2HG       ARG   2  -9.523   6.384  11.063
   11   2HG   ARG   2          1HG       ARG   2 -10.421   7.716  10.332
   12   1HD   ARG   2          2HD       ARG   2 -12.297   6.443   9.987
   13   2HD   ARG   2          1HD       ARG   2 -11.370   4.974   9.684
   14    HE   ARG   2           HE       ARG   2 -11.511   6.012  12.469
   15   1HH1  ARG   2          1HH1      ARG   2 -10.548   3.272  11.235
   16   2HH1  ARG   2          2HH1      ARG   2 -11.801   2.239  11.837
   17   1HH2  ARG   2          1HH2      ARG   2 -13.885   4.856  12.748
   18   2HH2  ARG   2          2HH2      ARG   2 -13.689   3.136  12.696
   19    QB   ARG   2           QB       ARG   2  -9.628   5.956   8.513
   20    QG   ARG   2           QG       ARG   2  -9.972   7.050  10.697
   21    QD   ARG   2           QD       ARG   2 -11.833   5.709   9.835
   22    QH1  ARG   2           QH1      ARG   2 -11.175   2.755  11.536
   23    QH2  ARG   2           QH2      ARG   2 -13.787   3.996  12.722
   24    H    LYS   3           H        LYS   3  -6.027   8.101   7.903
   25    HA   LYS   3           HA       LYS   3  -6.576   7.295   5.084
   26   1HB   LYS   3          2HB       LYS   3  -5.541   9.633   6.020
   27   2HB   LYS   3          1HB       LYS   3  -4.061   8.716   5.737
   28   1HG   LYS   3          2HG       LYS   3  -4.248   9.190   3.544
   29   2HG   LYS   3          1HG       LYS   3  -5.723   8.224   3.505
   30   1HD   LYS   3          2HD       LYS   3  -6.970  10.072   3.219
   31   2HD   LYS   3          1HD       LYS   3  -6.301  10.783   4.687
   32   1HE   LYS   3          2HE       LYS   3  -4.413  11.682   3.469
   33   2HE   LYS   3          1HE       LYS   3  -4.893  10.825   2.004
   34   1HZ   LYS   3          2HZ       LYS   3  -6.555  12.875   3.363
   35   2HZ   LYS   3          1HZ       LYS   3  -5.553  13.188   2.027
   36   3HZ   LYS   3          3HZ       LYS   3  -6.872  12.132   1.868
   37    QB   LYS   3           QB       LYS   3  -4.801   9.175   5.879
   38    QG   LYS   3           QG       LYS   3  -4.985   8.707   3.525
   39    QD   LYS   3           QD       LYS   3  -6.636  10.427   3.953
   40    QE   LYS   3           QE       LYS   3  -4.653  11.254   2.736
   41    QZ   LYS   3           QZ       LYS   3  -6.327  12.731   2.419
   42    H    PHE   4           H        PHE   4  -3.718   7.138   4.475
   43    HA   PHE   4           HA       PHE   4  -2.380   5.249   6.132
   44   1HB   PHE   4          2HB       PHE   4  -2.817   3.160   5.048
   45   2HB   PHE   4          1HB       PHE   4  -4.391   3.877   5.384
   46    HD1  PHE   4          1HD       PHE   4  -2.077   2.780   2.814
   47    HD2  PHE   4          2HD       PHE   4  -5.636   5.068   3.553
   48    HE1  PHE   4          1HE       PHE   4  -2.631   2.697   0.397
   49    HE2  PHE   4          2HE       PHE   4  -6.189   4.987   1.136
   50    HZ   PHE   4           HZ       PHE   4  -4.687   3.802  -0.441
   51    QB   PHE   4           QB       PHE   4  -3.604   3.519   5.216
   52    QD   PHE   4           QD       PHE   4  -3.856   3.924   3.183
   53    QE   PHE   4           QE       PHE   4  -4.410   3.842   0.767
   54    QR   PHE   4           QR       PHE   4  -4.244   3.867   1.492
   55    H    TYR   5           H        TYR   5  -0.742   3.905   4.571
   56    HA   TYR   5           HA       TYR   5  -0.017   4.991   2.061
   57   1HB   TYR   5          2HB       TYR   5   1.981   6.284   2.690
   58   2HB   TYR   5          1HB       TYR   5   0.540   7.040   3.337
   59    HD1  TYR   5          1HD       TYR   5   3.473   4.955   4.149
   60    HD2  TYR   5          2HD       TYR   5   0.135   7.149   5.730
   61    HE1  TYR   5          1HE       TYR   5   4.427   4.758   6.429
   62    HE2  TYR   5          2HE       TYR   5   1.089   6.948   8.012
   63    HH   TYR   5           HH       TYR   5   2.713   6.090   9.257
   64    QB   TYR   5           QB       TYR   5   1.260   6.662   3.013
   65    QD   TYR   5           QD       TYR   5   1.804   6.052   4.940
   66    QE   TYR   5           QE       TYR   5   2.758   5.853   7.221
   67    QR   TYR   5           QR       TYR   5   2.281   5.953   6.080
   68    H    VAL   6           H        VAL   6   2.570   4.412   1.890
   69    HA   VAL   6           HA       VAL   6   3.008   2.066   3.639
   70    HB   VAL   6           HB       VAL   6   3.470   1.746   0.695
   71   1HG1  VAL   6          2HG1      VAL   6   3.680   0.268   3.179
   72   2HG1  VAL   6          1HG1      VAL   6   2.739  -0.608   1.980
   73   3HG1  VAL   6          3HG1      VAL   6   4.383  -0.088   1.602
   74   1HG2  VAL   6          2HG2      VAL   6   0.899   2.142   1.750
   75   2HG2  VAL   6          1HG2      VAL   6   1.280   1.333   0.242
   76   3HG2  VAL   6          3HG2      VAL   6   1.085   0.396   1.719
   77    QG1  VAL   6           QG1      VAL   6   3.601  -0.143   2.254
   78    QG2  VAL   6           QG2      VAL   6   1.088   1.290   1.237
   79    QQG  VAL   6           QQG      VAL   6   2.344   0.574   1.745
   80    H    ASP   7           H        ASP   7   5.172   1.207   3.505
   81    HA   ASP   7           HA       ASP   7   7.114   3.281   2.653
   82   1HB   ASP   7          2HB       ASP   7   6.948   1.517   5.050
   83   2HB   ASP   7          1HB       ASP   7   8.554   1.875   4.417
   84    QB   ASP   7           QB       ASP   7   7.751   1.696   4.733
   85    H    GLN   8           H        GLN   8   7.018   2.237   0.557
   86    HA   GLN   8           HA       GLN   8   7.481  -0.378  -0.179
   87   1HB   GLN   8          2HB       GLN   8   8.812   0.552  -2.106
   88   2HB   GLN   8          1HB       GLN   8   7.273   1.372  -1.849
   89   1HG   GLN   8          2HG       GLN   8   9.508   2.515  -0.310
   90   2HG   GLN   8          1HG       GLN   8   9.688   2.655  -2.059
   91   1HE2  GLN   8          2HE2      GLN   8   6.956   4.950  -0.145
   92   2HE2  GLN   8          1HE2      GLN   8   7.992   3.905   0.701
   93    QB   GLN   8           QB       GLN   8   8.043   0.962  -1.978
   94    QG   GLN   8           QG       GLN   8   9.598   2.585  -1.184
   95    QE2  GLN   8           QE2      GLN   8   7.474   4.428   0.278
   96    H    ASP   9           H        ASP   9   9.630   1.729   1.521
   97    HA   ASP   9           HA       ASP   9  12.165   0.683   0.993
   98   1HB   ASP   9          2HB       ASP   9  11.041   2.327   2.967
   99   2HB   ASP   9          1HB       ASP   9  11.781   0.997   3.859
  100    QB   ASP   9           QB       ASP   9  11.411   1.662   3.413
  101    H    GLU  10           H        GLU  10   9.671  -0.635   3.161
  102    HA   GLU  10           HA       GLU  10  11.355  -2.950   3.818
  103   1HB   GLU  10          2HB       GLU  10   9.873  -2.105   5.546
  104   2HB   GLU  10          1HB       GLU  10   8.478  -2.255   4.479
  105   1HG   GLU  10          2HG       GLU  10   8.465  -4.162   5.956
  106   2HG   GLU  10          1HG       GLU  10   8.948  -4.737   4.361
  107    QB   GLU  10           QB       GLU  10   9.175  -2.180   5.013
  108    QG   GLU  10           QG       GLU  10   8.707  -4.449   5.158
  109    H    CYS  11           H        CYS  11   9.184  -2.056   1.336
  110    HA   CYS  11           HA       CYS  11   7.941  -4.515   0.687
  111   1HB   CYS  11          1HB       CYS  11   7.370  -2.405  -0.447
  112   2HB   CYS  11          2HB       CYS  11   8.964  -2.372  -1.206
  113    QB   CYS  11           QB       CYS  11   8.167  -2.389  -0.826
  114    H    ILE  12           H        ILE  12   8.649  -6.347  -0.408
  115    HA   ILE  12           HA       ILE  12  11.589  -6.501  -0.832
  116    HB   ILE  12           HB       ILE  12  11.387  -8.877  -0.610
  117   1HG1  ILE  12          2HG1      ILE  12   8.765  -9.530  -0.105
  118   2HG1  ILE  12          1HG1      ILE  12   8.591  -8.331  -1.382
  119   1HG2  ILE  12          2HG2      ILE  12   9.502  -7.512   1.336
  120   2HG2  ILE  12          1HG2      ILE  12  10.256  -9.087   1.587
  121   3HG2  ILE  12          3HG2      ILE  12  11.253  -7.634   1.503
  122   1HD1  ILE  12          3HD1      ILE  12  10.302  -9.599  -2.717
  123   2HD1  ILE  12          2HD1      ILE  12  10.268 -10.850  -1.475
  124   3HD1  ILE  12          1HD1      ILE  12   8.821 -10.507  -2.421
  125    QG1  ILE  12           QG1      ILE  12   8.678  -8.930  -0.744
  126    QG2  ILE  12           QG2      ILE  12  10.337  -8.078   1.475
  127    QD1  ILE  12           QD1      ILE  12   9.797 -10.319  -2.204
  128    H    ALA  13           H        ALA  13   8.499  -6.909  -2.499
  129    HA   ALA  13           HA       ALA  13   9.187  -6.170  -5.022
  130   1HB   ALA  13          1HB       ALA  13  10.439  -8.785  -4.394
  131   2HB   ALA  13          3HB       ALA  13   9.617  -8.687  -5.951
  132   3HB   ALA  13          2HB       ALA  13  10.918  -7.559  -5.569
  133    QB   ALA  13           QB       ALA  13  10.325  -8.344  -5.305
  134    H    CYS  14           H        CYS  14   7.737  -8.964  -3.347
  135    HA   CYS  14           HA       CYS  14   5.861  -9.817  -5.188
  136   1HB   CYS  14          1HB       CYS  14   5.050 -10.953  -3.428
  137   2HB   CYS  14          2HB       CYS  14   6.172 -10.059  -2.406
  138    QB   CYS  14           QB       CYS  14   5.611 -10.506  -2.917
  139    H    GLU  15           H        GLU  15   3.669  -9.198  -5.688
  140    HA   GLU  15           HA       GLU  15   3.155  -6.285  -5.235
  141   1HB   GLU  15          2HB       GLU  15   2.004  -6.274  -7.403
  142   2HB   GLU  15          1HB       GLU  15   3.658  -6.855  -7.599
  143   1HG   GLU  15          2HG       GLU  15   2.997  -9.001  -8.077
  144   2HG   GLU  15          1HG       GLU  15   1.580  -8.909  -7.028
  145    QB   GLU  15           QB       GLU  15   2.831  -6.564  -7.501
  146    QG   GLU  15           QG       GLU  15   2.288  -8.955  -7.552
  147    H    SER  16           H        SER  16   2.273  -8.815  -3.737
  148    HA   SER  16           HA       SER  16  -0.383  -9.510  -4.113
  149   1HB   SER  16          2HB       SER  16   1.440  -9.739  -2.020
  150   2HB   SER  16          1HB       SER  16   0.109  -8.825  -1.313
  151    HG   SER  16           HG       SER  16  -0.236 -11.186  -2.848
  152    QB   SER  16           QB       SER  16   0.774  -9.282  -1.667
  153    H    CYS  17           H        CYS  17   0.721  -6.691  -2.201
  154    HA   CYS  17           HA       CYS  17  -1.812  -5.560  -1.705
  155   1HB   CYS  17          1HB       CYS  17  -0.642  -3.481  -1.309
  156   2HB   CYS  17          2HB       CYS  17   0.400  -4.792  -0.754
  157    QB   CYS  17           QB       CYS  17  -0.121  -4.137  -1.032
  158    H    VAL  18           H        VAL  18   0.368  -5.062  -4.483
  159    HA   VAL  18           HA       VAL  18  -1.121  -3.132  -5.877
  160    HB   VAL  18           HB       VAL  18   0.212  -5.475  -7.247
  161   1HG1  VAL  18          1HG1      VAL  18  -0.900  -2.948  -8.056
  162   2HG1  VAL  18          3HG1      VAL  18   0.837  -2.941  -8.367
  163   3HG1  VAL  18          2HG1      VAL  18  -0.179  -4.205  -9.062
  164   1HG2  VAL  18          3HG2      VAL  18   1.401  -3.198  -5.680
  165   2HG2  VAL  18          2HG2      VAL  18   1.896  -4.890  -5.727
  166   3HG2  VAL  18          1HG2      VAL  18   2.256  -3.827  -7.088
  167    QG1  VAL  18           QG1      VAL  18  -0.080  -3.365  -8.495
  168    QG2  VAL  18           QG2      VAL  18   1.851  -3.972  -6.165
  169    QQG  VAL  18           QQG      VAL  18   0.885  -3.668  -7.330
  170    H    GLU  19           H        GLU  19  -1.801  -6.531  -5.384
  171    HA   GLU  19           HA       GLU  19  -3.922  -6.497  -7.435
  172   1HB   GLU  19          2HB       GLU  19  -2.531  -8.566  -5.846
  173   2HB   GLU  19          1HB       GLU  19  -4.245  -8.873  -6.129
  174   1HG   GLU  19          2HG       GLU  19  -2.248  -8.177  -8.301
  175   2HG   GLU  19          1HG       GLU  19  -2.791  -9.814  -7.929
  176    QB   GLU  19           QB       GLU  19  -3.388  -8.720  -5.988
  177    QG   GLU  19           QG       GLU  19  -2.519  -8.996  -8.115
  178    H    ILE  20           H        ILE  20  -3.576  -6.356  -3.941
  179    HA   ILE  20           HA       ILE  20  -6.491  -6.539  -3.564
  180    HB   ILE  20           HB       ILE  20  -4.320  -5.836  -1.588
  181   1HG1  ILE  20          2HG1      ILE  20  -5.467  -8.298  -1.066
  182   2HG1  ILE  20          1HG1      ILE  20  -5.072  -8.284  -2.772
  183   1HG2  ILE  20          1HG2      ILE  20  -7.270  -6.178  -1.414
  184   2HG2  ILE  20          3HG2      ILE  20  -6.288  -6.769  -0.074
  185   3HG2  ILE  20          2HG2      ILE  20  -6.226  -5.066  -0.530
  186   1HD1  ILE  20          1HD1      ILE  20  -2.877  -7.091  -1.520
  187   2HD1  ILE  20          3HD1      ILE  20  -3.296  -8.457  -0.487
  188   3HD1  ILE  20          2HD1      ILE  20  -2.939  -8.720  -2.193
  189    QG1  ILE  20           QG1      ILE  20  -5.270  -8.291  -1.919
  190    QG2  ILE  20           QG2      ILE  20  -6.595  -6.004  -0.673
  191    QD1  ILE  20           QD1      ILE  20  -3.037  -8.089  -1.400
  192    H    ALA  21           H        ALA  21  -4.757  -4.304  -5.013
  193    HA   ALA  21           HA       ALA  21  -6.586  -2.149  -4.386
  194   1HB   ALA  21          1HB       ALA  21  -3.946  -2.263  -3.037
  195   2HB   ALA  21          3HB       ALA  21  -4.365  -0.713  -3.766
  196   3HB   ALA  21          2HB       ALA  21  -5.424  -1.432  -2.551
  197    QB   ALA  21           QB       ALA  21  -4.578  -1.469  -3.118
  198    HA   PRO  22           HA       PRO  22  -4.279  -2.153  -8.430
  199   1HB   PRO  22          2HB       PRO  22  -6.464  -2.406 -10.029
  200   2HB   PRO  22          1HB       PRO  22  -5.575  -3.788  -9.388
  201   1HG   PRO  22          2HG       PRO  22  -8.137  -2.590  -8.423
  202   2HG   PRO  22          1HG       PRO  22  -7.664  -4.295  -8.515
  203   1HD   PRO  22          2HD       PRO  22  -7.645  -2.851  -6.197
  204   2HD   PRO  22          1HD       PRO  22  -6.572  -4.235  -6.499
  205    QB   PRO  22           QB       PRO  22  -6.019  -3.097  -9.708
  206    QG   PRO  22           QG       PRO  22  -7.901  -3.443  -8.469
  207    QD   PRO  22           QD       PRO  22  -7.108  -3.543  -6.348
  208    H    GLY  23           H        GLY  23  -4.011   0.125  -7.695
  209   1HA   GLY  23          2HA       GLY  23  -4.696   2.142  -9.315
  210   2HA   GLY  23          1HA       GLY  23  -6.199   1.987  -8.401
  211    QA   GLY  23           QA       GLY  23  -5.447   2.065  -8.858
  212    H    ALA  24           H        ALA  24  -4.473   1.085  -6.030
  213    HA   ALA  24           HA       ALA  24  -3.652   3.839  -5.196
  214   1HB   ALA  24          1HB       ALA  24  -4.881   1.531  -3.697
  215   2HB   ALA  24          3HB       ALA  24  -3.962   2.767  -2.838
  216   3HB   ALA  24          2HB       ALA  24  -5.402   3.215  -3.750
  217    QB   ALA  24           QB       ALA  24  -4.749   2.504  -3.428
  218    H    PHE  25           H        PHE  25  -2.747   0.454  -5.355
  219    HA   PHE  25           HA       PHE  25  -0.048   1.158  -4.254
  220   1HB   PHE  25          2HB       PHE  25  -1.810  -0.904  -3.540
  221   2HB   PHE  25          1HB       PHE  25  -0.591  -1.692  -4.540
  222    HD1  PHE  25          1HD       PHE  25  -1.351  -0.937  -1.263
  223    HD2  PHE  25          2HD       PHE  25   1.902  -0.612  -4.048
  224    HE1  PHE  25          1HE       PHE  25   0.258  -0.869   0.623
  225    HE2  PHE  25          2HE       PHE  25   3.505  -0.547  -2.157
  226    HZ   PHE  25           HZ       PHE  25   2.688  -0.676   0.163
  227    QB   PHE  25           QB       PHE  25  -1.200  -1.298  -4.040
  228    QD   PHE  25           QD       PHE  25   0.275  -0.775  -2.655
  229    QE   PHE  25           QE       PHE  25   1.882  -0.708  -0.767
  230    QR   PHE  25           QR       PHE  25   1.400  -0.728  -1.336
  231    H    ALA  26           H        ALA  26   1.729   0.727  -5.507
  232    HA   ALA  26           HA       ALA  26   1.720  -0.989  -7.821
  233   1HB   ALA  26          3HB       ALA  26   0.737   1.697  -8.195
  234   2HB   ALA  26          2HB       ALA  26   2.271   1.514  -9.046
  235   3HB   ALA  26          1HB       ALA  26   0.931   0.422  -9.398
  236    QB   ALA  26           QB       ALA  26   1.313   1.211  -8.880
  237    H    MET  27           H        MET  27   3.892  -1.159  -8.656
  238    HA   MET  27           HA       MET  27   5.912  -0.141  -6.795
  239   1HB   MET  27          2HB       MET  27   6.538  -1.611  -9.345
  240   2HB   MET  27          1HB       MET  27   7.417  -1.636  -7.816
  241   1HG   MET  27          2HG       MET  27   6.312  -3.558  -7.378
  242   2HG   MET  27          1HG       MET  27   4.894  -2.545  -7.107
  243   1HE   MET  27          3HE       MET  27   6.848  -4.885  -9.385
  244   2HE   MET  27          2HE       MET  27   6.065  -4.757 -10.958
  245   3HE   MET  27          1HE       MET  27   6.977  -3.391 -10.323
  246    QB   MET  27           QB       MET  27   6.978  -1.624  -8.580
  247    QG   MET  27           QG       MET  27   5.603  -3.051  -7.242
  248    QE   MET  27           QE       MET  27   6.630  -4.344 -10.222
  249    H    ASP  28           H        ASP  28   7.825   1.190  -7.548
  250    HA   ASP  28           HA       ASP  28   7.040   2.721 -10.005
  251   1HB   ASP  28          2HB       ASP  28   7.181   3.723  -7.430
  252   2HB   ASP  28          1HB       ASP  28   8.787   4.080  -8.077
  253    QB   ASP  28           QB       ASP  28   7.984   3.902  -7.753
  254    HA   PRO  29           HA       PRO  29  11.068   1.585 -11.304
  255   1HB   PRO  29          2HB       PRO  29  11.643   3.577 -13.058
  256   2HB   PRO  29          1HB       PRO  29  10.440   2.335 -13.392
  257   1HG   PRO  29          2HG       PRO  29  10.040   5.170 -12.673
  258   2HG   PRO  29          1HG       PRO  29   8.969   4.075 -13.558
  259   1HD   PRO  29          2HD       PRO  29   8.761   4.857 -10.842
  260   2HD   PRO  29          1HD       PRO  29   7.801   3.631 -11.673
  261    QB   PRO  29           QB       PRO  29  11.042   2.956 -13.225
  262    QG   PRO  29           QG       PRO  29   9.505   4.623 -13.115
  263    QD   PRO  29           QD       PRO  29   8.281   4.244 -11.258
  264    H    GLU  30           H        GLU  30  10.427   4.538  -9.734
  265    HA   GLU  30           HA       GLU  30  13.278   5.289  -9.417
  266   1HB   GLU  30          2HB       GLU  30  10.896   6.748  -9.390
  267   2HB   GLU  30          1HB       GLU  30  11.354   6.664  -7.689
  268   1HG   GLU  30          2HG       GLU  30  13.457   7.687  -8.088
  269   2HG   GLU  30          1HG       GLU  30  13.345   7.420  -9.829
  270    QB   GLU  30           QB       GLU  30  11.125   6.706  -8.539
  271    QG   GLU  30           QG       GLU  30  13.401   7.554  -8.958
  272    H    ILE  31           H        ILE  31  10.577   3.884  -7.685
  273    HA   ILE  31           HA       ILE  31  12.353   3.325  -5.390
  274    HB   ILE  31           HB       ILE  31  10.147   2.695  -4.247
  275   1HG1  ILE  31          2HG1      ILE  31   8.932   4.525  -6.292
  276   2HG1  ILE  31          1HG1      ILE  31   9.032   2.795  -6.627
  277   1HG2  ILE  31          2HG2      ILE  31  11.120   5.424  -4.988
  278   2HG2  ILE  31          1HG2      ILE  31   9.579   5.295  -4.141
  279   3HG2  ILE  31          3HG2      ILE  31  11.047   4.653  -3.403
  280   1HD1  ILE  31          1HD1      ILE  31   8.003   2.511  -4.256
  281   2HD1  ILE  31          3HD1      ILE  31   7.542   4.205  -4.425
  282   3HD1  ILE  31          2HD1      ILE  31   6.943   3.009  -5.575
  283    QG1  ILE  31           QG1      ILE  31   8.982   3.660  -6.459
  284    QG2  ILE  31           QG2      ILE  31  10.582   5.124  -4.177
  285    QD1  ILE  31           QD1      ILE  31   7.496   3.242  -4.752
  286    H    GLU  32           H        GLU  32  11.375   1.974  -8.174
  287    HA   GLU  32           HA       GLU  32  10.837  -0.238  -8.846
  288   1HB   GLU  32          2HB       GLU  32  13.326  -0.518  -7.129
  289   2HB   GLU  32          1HB       GLU  32  12.748  -1.757  -8.244
  290   1HG   GLU  32          2HG       GLU  32  12.929  -0.149 -10.115
  291   2HG   GLU  32          1HG       GLU  32  13.538   1.072  -8.998
  292    QB   GLU  32           QB       GLU  32  13.037  -1.138  -7.687
  293    QG   GLU  32           QG       GLU  32  13.234   0.461  -9.556
  294    H    LYS  33           H        LYS  33   9.323   0.561  -6.622
  295    HA   LYS  33           HA       LYS  33   8.783  -2.092  -5.416
  296   1HB   LYS  33          2HB       LYS  33   9.733   0.260  -3.765
  297   2HB   LYS  33          1HB       LYS  33   8.921  -1.145  -3.077
  298   1HG   LYS  33          2HG       LYS  33  10.686  -2.613  -4.008
  299   2HG   LYS  33          1HG       LYS  33  11.505  -1.197  -4.665
  300   1HD   LYS  33          2HD       LYS  33  11.484  -0.289  -2.250
  301   2HD   LYS  33          1HD       LYS  33  11.109  -1.946  -1.772
  302   1HE   LYS  33          2HE       LYS  33  13.136  -2.707  -3.043
  303   2HE   LYS  33          1HE       LYS  33  13.539  -1.012  -3.324
  304   1HZ   LYS  33          1HZ       LYS  33  12.984  -1.389  -0.596
  305   2HZ   LYS  33          3HZ       LYS  33  14.114  -2.557  -1.080
  306   3HZ   LYS  33          2HZ       LYS  33  14.442  -0.907  -1.324
  307    QB   LYS  33           QB       LYS  33   9.327  -0.443  -3.421
  308    QG   LYS  33           QG       LYS  33  11.095  -1.905  -4.336
  309    QD   LYS  33           QD       LYS  33  11.296  -1.118  -2.011
  310    QE   LYS  33           QE       LYS  33  13.338  -1.860  -3.184
  311    QZ   LYS  33           QZ       LYS  33  13.846  -1.618  -1.000
  312    H    ALA  34           H        ALA  34   6.712  -2.257  -4.556
  313    HA   ALA  34           HA       ALA  34   4.659  -0.640  -5.577
  314   1HB   ALA  34          2HB       ALA  34   4.604  -2.977  -4.398
  315   2HB   ALA  34          1HB       ALA  34   4.329  -2.028  -2.938
  316   3HB   ALA  34          3HB       ALA  34   3.198  -1.920  -4.287
  317    QB   ALA  34           QB       ALA  34   4.044  -2.308  -3.874
  318    H    TYR  35           H        TYR  35   3.484   1.111  -4.777
  319    HA   TYR  35           HA       TYR  35   4.094   2.211  -2.097
  320   1HB   TYR  35          2HB       TYR  35   5.001   4.244  -2.790
  321   2HB   TYR  35          1HB       TYR  35   5.728   3.146  -3.955
  322    HD1  TYR  35          1HD       TYR  35   3.602   6.007  -3.491
  323    HD2  TYR  35          2HD       TYR  35   4.598   2.863  -6.229
  324    HE1  TYR  35          1HE       TYR  35   2.545   7.277  -5.336
  325    HE2  TYR  35          2HE       TYR  35   3.526   4.119  -8.077
  326    HH   TYR  35           HH       TYR  35   2.011   5.856  -8.480
  327    QB   TYR  35           QB       TYR  35   5.364   3.695  -3.373
  328    QD   TYR  35           QD       TYR  35   4.100   4.435  -4.860
  329    QE   TYR  35           QE       TYR  35   3.036   5.698  -6.706
  330    QR   TYR  35           QR       TYR  35   3.568   5.066  -5.783
  331    H    VAL  36           H        VAL  36   2.644   4.134  -1.741
  332    HA   VAL  36           HA       VAL  36  -0.037   3.358  -2.644
  333    HB   VAL  36           HB       VAL  36   0.363   5.736  -0.913
  334   1HG1  VAL  36          3HG1      VAL  36  -1.394   3.290  -1.007
  335   2HG1  VAL  36          2HG1      VAL  36  -1.307   4.276   0.452
  336   3HG1  VAL  36          1HG1      VAL  36  -1.870   4.988  -1.060
  337   1HG2  VAL  36          1HG2      VAL  36   1.560   3.077  -0.367
  338   2HG2  VAL  36          3HG2      VAL  36   2.019   4.667   0.235
  339   3HG2  VAL  36          2HG2      VAL  36   0.661   3.805   0.956
  340    QG1  VAL  36           QG1      VAL  36  -1.524   4.185  -0.538
  341    QG2  VAL  36           QG2      VAL  36   1.413   3.850   0.274
  342    QQG  VAL  36           QQG      VAL  36  -0.055   4.017  -0.132
  343    H    LYS  37           H        LYS  37   0.145   4.014  -4.870
  344    HA   LYS  37           HA       LYS  37   0.803   6.700  -5.671
  345   1HB   LYS  37          2HB       LYS  37  -0.047   6.052  -7.848
  346   2HB   LYS  37          1HB       LYS  37   0.859   4.694  -7.178
  347   1HG   LYS  37          2HG       LYS  37  -1.192   3.610  -6.458
  348   2HG   LYS  37          1HG       LYS  37  -2.147   5.009  -6.951
  349   1HD   LYS  37          2HD       LYS  37  -0.417   3.471  -8.895
  350   2HD   LYS  37          1HD       LYS  37  -2.103   3.049  -8.592
  351   1HE   LYS  37          2HE       LYS  37  -2.904   5.058  -9.491
  352   2HE   LYS  37          1HE       LYS  37  -1.362   5.884  -9.271
  353   1HZ   LYS  37          1HZ       LYS  37  -1.647   3.581 -11.102
  354   2HZ   LYS  37          3HZ       LYS  37  -1.975   5.166 -11.611
  355   3HZ   LYS  37          2HZ       LYS  37  -0.420   4.755 -11.062
  356    QB   LYS  37           QB       LYS  37   0.406   5.373  -7.513
  357    QG   LYS  37           QG       LYS  37  -1.670   4.310  -6.705
  358    QD   LYS  37           QD       LYS  37  -1.260   3.260  -8.744
  359    QE   LYS  37           QE       LYS  37  -2.133   5.471  -9.381
  360    QZ   LYS  37           QZ       LYS  37  -1.347   4.501 -11.259
  361    H    ASP  38           H        ASP  38  -1.952   5.473  -4.107
  362    HA   ASP  38           HA       ASP  38  -3.249   8.008  -4.109
  363   1HB   ASP  38          2HB       ASP  38  -3.619   7.652  -6.467
  364   2HB   ASP  38          1HB       ASP  38  -4.234   6.026  -6.171
  365    QB   ASP  38           QB       ASP  38  -3.927   6.839  -6.319
  366    H    VAL  39           H        VAL  39  -4.927   8.006  -2.626
  367    HA   VAL  39           HA       VAL  39  -5.374   5.496  -1.164
  368    HB   VAL  39           HB       VAL  39  -6.704   6.945   0.368
  369   1HG1  VAL  39          2HG1      VAL  39  -4.021   6.798   0.139
  370   2HG1  VAL  39          1HG1      VAL  39  -4.233   8.529  -0.119
  371   3HG1  VAL  39          3HG1      VAL  39  -4.815   7.781   1.368
  372   1HG2  VAL  39          1HG2      VAL  39  -6.505   8.731  -1.953
  373   2HG2  VAL  39          3HG2      VAL  39  -7.651   8.758  -0.614
  374   3HG2  VAL  39          2HG2      VAL  39  -6.072   9.521  -0.439
  375    QG1  VAL  39           QG1      VAL  39  -4.356   7.703   0.463
  376    QG2  VAL  39           QG2      VAL  39  -6.743   9.003  -1.002
  377    QQG  VAL  39           QQG      VAL  39  -5.549   8.353  -0.270
  378    H    GLU  40           H        GLU  40  -7.155   7.647  -3.324
  379    HA   GLU  40           HA       GLU  40  -9.721   6.372  -2.902
  380   1HB   GLU  40          2HB       GLU  40  -8.612   8.186  -5.052
  381   2HB   GLU  40          1HB       GLU  40 -10.238   7.510  -5.158
  382   1HG   GLU  40          2HG       GLU  40  -9.408   8.846  -2.607
  383   2HG   GLU  40          1HG       GLU  40  -9.834   9.855  -3.991
  384    QB   GLU  40           QB       GLU  40  -9.425   7.848  -5.105
  385    QG   GLU  40           QG       GLU  40  -9.621   9.350  -3.299
  386    H    GLY  41           H        GLY  41  -6.883   5.501  -4.606
  387   1HA   GLY  41          2HA       GLY  41  -8.094   3.933  -6.706
  388   2HA   GLY  41          1HA       GLY  41  -6.431   3.773  -6.135
  389    QA   GLY  41           QA       GLY  41  -7.263   3.853  -6.420
  390    H    ALA  42           H        ALA  42  -7.414   3.377  -3.323
  391    HA   ALA  42           HA       ALA  42  -8.589   0.646  -3.618
  392   1HB   ALA  42          2HB       ALA  42  -6.166   1.500  -2.029
  393   2HB   ALA  42          1HB       ALA  42  -7.072   0.044  -1.620
  394   3HB   ALA  42          3HB       ALA  42  -6.298   0.187  -3.199
  395    QB   ALA  42           QB       ALA  42  -6.512   0.577  -2.283
  396    H    SER  43           H        SER  43 -10.037   0.068  -1.958
  397    HA   SER  43           HA       SER  43 -11.026   2.337  -0.358
  398   1HB   SER  43          2HB       SER  43 -12.491  -0.006   0.241
  399   2HB   SER  43          1HB       SER  43 -12.984   1.331  -0.793
  400    HG   SER  43           HG       SER  43 -12.831  -0.916  -1.708
  401    QB   SER  43           QB       SER  43 -12.738   0.662  -0.276
  402    H    GLN  44           H        GLN  44 -11.433   2.098   1.957
  403    HA   GLN  44           HA       GLN  44  -9.204   1.270   3.455
  404   1HB   GLN  44          2HB       GLN  44 -10.565   1.570   5.416
  405   2HB   GLN  44          1HB       GLN  44 -11.100   2.766   4.235
  406   1HG   GLN  44          2HG       GLN  44 -12.563   0.334   3.804
  407   2HG   GLN  44          1HG       GLN  44 -12.664   0.762   5.511
  408   1HE2  GLN  44          2HE2      GLN  44 -14.131   4.043   4.691
  409   2HE2  GLN  44          1HE2      GLN  44 -12.857   3.441   5.638
  410    QB   GLN  44           QB       GLN  44 -10.833   2.168   4.825
  411    QG   GLN  44           QG       GLN  44 -12.614   0.548   4.657
  412    QE2  GLN  44           QE2      GLN  44 -13.494   3.742   5.165
  413    H    GLU  45           H        GLU  45 -11.828  -0.600   2.167
  414    HA   GLU  45           HA       GLU  45 -11.311  -2.907   3.919
  415   1HB   GLU  45          2HB       GLU  45 -13.135  -2.424   1.556
  416   2HB   GLU  45          1HB       GLU  45 -12.935  -4.026   2.264
  417   1HG   GLU  45          2HG       GLU  45 -13.762  -1.561   3.822
  418   2HG   GLU  45          1HG       GLU  45 -14.883  -2.782   3.216
  419    QB   GLU  45           QB       GLU  45 -13.035  -3.225   1.910
  420    QG   GLU  45           QG       GLU  45 -14.323  -2.171   3.519
  421    H    GLU  46           H        GLU  46 -10.258  -1.655   0.867
  422    HA   GLU  46           HA       GLU  46  -9.110  -4.248   0.018
  423   1HB   GLU  46          2HB       GLU  46  -8.738  -1.506  -1.235
  424   2HB   GLU  46          1HB       GLU  46  -8.410  -3.070  -1.981
  425   1HG   GLU  46          2HG       GLU  46 -10.828  -3.634  -1.791
  426   2HG   GLU  46          1HG       GLU  46 -11.128  -2.018  -1.149
  427    QB   GLU  46           QB       GLU  46  -8.574  -2.288  -1.608
  428    QG   GLU  46           QG       GLU  46 -10.978  -2.826  -1.470
  429    H    VAL  47           H        VAL  47  -8.008  -0.946   0.724
  430    HA   VAL  47           HA       VAL  47  -5.264  -1.402   0.917
  431    HB   VAL  47           HB       VAL  47  -7.186   0.429   2.335
  432   1HG1  VAL  47          2HG1      VAL  47  -4.230   0.167   2.919
  433   2HG1  VAL  47          1HG1      VAL  47  -5.241   1.517   3.437
  434   3HG1  VAL  47          3HG1      VAL  47  -5.556  -0.105   4.052
  435   1HG2  VAL  47          2HG2      VAL  47  -6.047   0.614  -0.074
  436   2HG2  VAL  47          1HG2      VAL  47  -6.322   2.041   0.924
  437   3HG2  VAL  47          3HG2      VAL  47  -4.725   1.293   0.876
  438    QG1  VAL  47           QG1      VAL  47  -5.009   0.526   3.470
  439    QG2  VAL  47           QG2      VAL  47  -5.698   1.316   0.575
  440    QQG  VAL  47           QQG      VAL  47  -5.353   0.921   2.022
  441    H    GLU  48           H        GLU  48  -7.890  -2.345   3.055
  442    HA   GLU  48           HA       GLU  48  -6.323  -3.097   5.323
  443   1HB   GLU  48          2HB       GLU  48  -9.047  -3.065   4.431
  444   2HB   GLU  48          1HB       GLU  48  -8.677  -4.642   5.082
  445   1HG   GLU  48          2HG       GLU  48  -7.473  -3.031   6.916
  446   2HG   GLU  48          1HG       GLU  48  -8.852  -2.042   6.443
  447    QB   GLU  48           QB       GLU  48  -8.862  -3.854   4.756
  448    QG   GLU  48           QG       GLU  48  -8.163  -2.537   6.680
  449    H    GLU  49           H        GLU  49  -8.154  -5.231   3.107
  450    HA   GLU  49           HA       GLU  49  -6.903  -7.634   3.731
  451   1HB   GLU  49          2HB       GLU  49  -8.077  -6.569   1.178
  452   2HB   GLU  49          1HB       GLU  49  -7.274  -8.139   1.173
  453   1HG   GLU  49          2HG       GLU  49  -8.739  -8.835   3.083
  454   2HG   GLU  49          1HG       GLU  49  -9.603  -7.305   2.925
  455    QB   GLU  49           QB       GLU  49  -7.676  -7.354   1.175
  456    QG   GLU  49           QG       GLU  49  -9.171  -8.070   3.004
  457    H    ALA  50           H        ALA  50  -5.811  -5.233   1.322
  458    HA   ALA  50           HA       ALA  50  -3.521  -6.603   0.400
  459   1HB   ALA  50          3HB       ALA  50  -4.572  -4.259  -0.265
  460   2HB   ALA  50          2HB       ALA  50  -3.379  -3.645   0.880
  461   3HB   ALA  50          1HB       ALA  50  -2.858  -4.574  -0.524
  462    QB   ALA  50           QB       ALA  50  -3.603  -4.159   0.030
  463    H    MET  51           H        MET  51  -4.069  -4.786   3.360
  464    HA   MET  51           HA       MET  51  -1.327  -4.615   4.199
  465   1HB   MET  51          2HB       MET  51  -3.322  -3.329   5.146
  466   2HB   MET  51          1HB       MET  51  -3.737  -4.801   6.024
  467   1HG   MET  51          2HG       MET  51  -1.579  -4.787   7.158
  468   2HG   MET  51          1HG       MET  51  -1.056  -3.397   6.209
  469   1HE   MET  51          3HE       MET  51  -1.487  -1.409   6.289
  470   2HE   MET  51          2HE       MET  51  -3.069  -0.737   6.669
  471   3HE   MET  51          1HE       MET  51  -1.745  -0.558   7.817
  472    QB   MET  51           QB       MET  51  -3.529  -4.065   5.585
  473    QG   MET  51           QG       MET  51  -1.318  -4.092   6.683
  474    QE   MET  51           QE       MET  51  -2.100  -0.901   6.925
  475    H    ASP  52           H        ASP  52  -3.920  -6.802   5.376
  476    HA   ASP  52           HA       ASP  52  -2.383  -8.512   6.936
  477   1HB   ASP  52          2HB       ASP  52  -4.967  -8.540   6.029
  478   2HB   ASP  52          1HB       ASP  52  -4.288  -9.932   5.186
  479    QB   ASP  52           QB       ASP  52  -4.627  -9.236   5.607
  480    H    THR  53           H        THR  53  -2.455  -8.286   3.436
  481    HA   THR  53           HA       THR  53  -0.704 -10.690   3.244
  482    HB   THR  53           HB       THR  53  -1.360  -9.398   0.719
  483    HG1  THR  53          1HG       THR  53  -3.254  -8.762   1.526
  484   1HG2  THR  53          3HG2      THR  53  -1.919 -12.108   1.952
  485   2HG2  THR  53          2HG2      THR  53  -2.257 -11.698   0.271
  486   3HG2  THR  53          1HG2      THR  53  -0.596 -11.694   0.861
  487    QG2  THR  53           QG2      THR  53  -1.591 -11.834   1.028
  488    H    CYS  54           H        CYS  54   1.350  -9.951   3.782
  489    HA   CYS  54           HA       CYS  54   2.888  -8.579   1.846
  490   1HB   CYS  54          1HB       CYS  54   1.558  -6.589   2.500
  491   2HB   CYS  54          2HB       CYS  54   2.065  -6.814   4.169
  492    QB   CYS  54           QB       CYS  54   1.812  -6.701   3.334
  493    HA   PRO  55           HA       PRO  55   5.898 -10.265   4.560
  494   1HB   PRO  55          2HB       PRO  55   8.134  -9.159   3.482
  495   2HB   PRO  55          1HB       PRO  55   7.256 -10.484   2.716
  496   1HG   PRO  55          2HG       PRO  55   7.227  -7.576   2.053
  497   2HG   PRO  55          1HG       PRO  55   7.106  -8.975   0.973
  498   1HD   PRO  55          2HD       PRO  55   4.966  -7.427   1.767
  499   2HD   PRO  55          1HD       PRO  55   4.838  -9.102   1.195
  500    QB   PRO  55           QB       PRO  55   7.695  -9.821   3.099
  501    QG   PRO  55           QG       PRO  55   7.166  -8.276   1.513
  502    QD   PRO  55           QD       PRO  55   4.902  -8.264   1.481
  503    H    VAL  56           H        VAL  56   5.636  -9.298   6.587
  504    HA   VAL  56           HA       VAL  56   6.309  -7.902   8.368
  505    HB   VAL  56           HB       VAL  56   7.738  -6.140   6.370
  506   1HG1  VAL  56          3HG1      VAL  56   7.457  -6.275   9.237
  507   2HG1  VAL  56          2HG1      VAL  56   9.148  -6.506   8.792
  508   3HG1  VAL  56          1HG1      VAL  56   8.287  -5.061   8.263
  509   1HG2  VAL  56          2HG2      VAL  56   8.239  -8.808   6.458
  510   2HG2  VAL  56          1HG2      VAL  56   9.494  -7.602   6.171
  511   3HG2  VAL  56          3HG2      VAL  56   9.257  -8.263   7.789
  512    QG1  VAL  56           QG1      VAL  56   8.298  -5.947   8.764
  513    QG2  VAL  56           QG2      VAL  56   8.997  -8.224   6.806
  514    QQG  VAL  56           QQG      VAL  56   8.647  -7.086   7.785
  515    H    GLN  57           H        GLN  57   4.339  -7.266   5.840
  516    HA   GLN  57           HA       GLN  57   2.780  -5.570   5.334
  517   1HB   GLN  57          2HB       GLN  57   2.853  -5.867   8.317
  518   2HB   GLN  57          1HB       GLN  57   1.894  -4.556   7.626
  519   1HG   GLN  57          2HG       GLN  57   0.634  -6.124   6.267
  520   2HG   GLN  57          1HG       GLN  57   1.658  -7.460   6.790
  521   1HE2  GLN  57          2HE2      GLN  57  -0.372  -5.915   9.973
  522   2HE2  GLN  57          1HE2      GLN  57   0.686  -4.941   9.071
  523    QB   GLN  57           QB       GLN  57   2.373  -5.212   7.972
  524    QG   GLN  57           QG       GLN  57   1.146  -6.792   6.529
  525    QE2  GLN  57           QE2      GLN  57   0.157  -5.428   9.522
  526    H    CYS  58           H        CYS  58   4.411  -4.161   4.347
  527    HA   CYS  58           HA       CYS  58   5.696  -2.112   5.992
  528   1HB   CYS  58          2HB       CYS  58   5.448  -1.871   3.012
  529   2HB   CYS  58          1HB       CYS  58   6.812  -1.469   4.054
  530    HG   CYS  58           HG       CYS  58   7.573  -3.673   3.047
  531    QB   CYS  58           QB       CYS  58   6.130  -1.670   3.533
  532    H    ILE  59           H        ILE  59   2.627  -2.532   4.597
  533    HA   ILE  59           HA       ILE  59   2.097   0.318   4.142
  534    HB   ILE  59           HB       ILE  59   0.999  -1.415   2.762
  535   1HG1  ILE  59          2HG1      ILE  59  -1.001   0.019   4.537
  536   2HG1  ILE  59          1HG1      ILE  59  -0.100   0.805   3.240
  537   1HG2  ILE  59          3HG2      ILE  59   0.377  -2.468   5.423
  538   2HG2  ILE  59          2HG2      ILE  59  -1.035  -2.397   4.371
  539   3HG2  ILE  59          1HG2      ILE  59   0.396  -3.296   3.867
  540   1HD1  ILE  59          3HD1      ILE  59  -1.171  -1.532   2.094
  541   2HD1  ILE  59          2HD1      ILE  59  -2.474  -0.846   3.066
  542   3HD1  ILE  59          1HD1      ILE  59  -1.703   0.126   1.811
  543    QG1  ILE  59           QG1      ILE  59  -0.550   0.412   3.888
  544    QG2  ILE  59           QG2      ILE  59  -0.087  -2.720   4.554
  545    QD1  ILE  59           QD1      ILE  59  -1.783  -0.751   2.324
  546    H    HIS  60           H        HIS  60   0.860   1.652   5.473
  547    HA   HIS  60           HA       HIS  60  -0.199   0.539   8.011
  548   1HB   HIS  60          2HB       HIS  60   1.530   3.015   8.042
  549   2HB   HIS  60          1HB       HIS  60   1.003   2.034   9.408
  550    HD1  HIS  60          1HD       HIS  60   3.791   2.482   7.130
  551    HD2  HIS  60          2HD       HIS  60   2.217  -0.711   9.297
  552    HE1  HIS  60          1HE       HIS  60   5.602   0.714   7.216
  553    QB   HIS  60           QB       HIS  60   1.266   2.524   8.725
  554    H    TRP  61           H        TRP  61  -1.427   2.427   9.195
  555    HA   TRP  61           HA       TRP  61  -3.016   3.793   7.097
  556   1HB   TRP  61          2HB       TRP  61  -3.552   3.546  10.067
  557   2HB   TRP  61          1HB       TRP  61  -4.658   4.191   8.866
  558    HD1  TRP  61           HD       TRP  61  -2.952   0.885   9.870
  559    HE1  TRP  61          1HE       TRP  61  -4.355  -1.052   8.894
  560    HE3  TRP  61          3HE       TRP  61  -6.307   3.556   7.179
  561    HZ2  TRP  61          2HZ       TRP  61  -6.631  -1.399   7.173
  562    HZ3  TRP  61          3HZ       TRP  61  -8.096   2.426   5.869
  563    HH2  TRP  61           HH       TRP  61  -8.259  -0.051   5.867
  564    QB   TRP  61           QB       TRP  61  -4.105   3.868   9.467
  565    H    GLU  62           H        GLU  62  -3.914   6.040   8.035
  566    HA   GLU  62           HA       GLU  62  -1.856   7.601   9.434
  567   1HB   GLU  62          2HB       GLU  62  -0.897   7.750   7.250
  568   2HB   GLU  62          1HB       GLU  62  -2.475   7.970   6.493
  569   1HG   GLU  62          2HG       GLU  62  -2.620  10.189   7.117
  570   2HG   GLU  62          1HG       GLU  62  -1.643   9.955   8.566
  571    QB   GLU  62           QB       GLU  62  -1.686   7.860   6.871
  572    QG   GLU  62           QG       GLU  62  -2.131  10.072   7.841
  573    H    ASP  63           H        ASP  63  -3.509   8.149  10.918
  574    HA   ASP  63           HA       ASP  63  -6.135   9.001  10.190
  575   1HB   ASP  63          2HB       ASP  63  -4.497   9.758  12.632
  576   2HB   ASP  63          1HB       ASP  63  -6.244   9.940  12.471
  577    QB   ASP  63           QB       ASP  63  -5.371   9.849  12.551
  578    H    GLU  64           H        GLU  64  -6.397  10.668   8.758
  579    HA   GLU  64           HA       GLU  64  -5.044  13.246   9.422
  580   1HB   GLU  64          2HB       GLU  64  -4.697  11.646   7.052
  581   2HB   GLU  64          1HB       GLU  64  -5.472  13.170   6.619
  582   1HG   GLU  64          2HG       GLU  64  -2.972  12.949   8.321
  583   2HG   GLU  64          1HG       GLU  64  -2.973  13.308   6.594
  584    QB   GLU  64           QB       GLU  64  -5.084  12.408   6.836
  585    QG   GLU  64           QG       GLU  64  -2.973  13.128   7.458
   
  No H/Q in entry =         585
  Start of MODEL   16
    1    HA   ALA   1           HA       ALA   1 -12.390   4.812  11.608
    2   1HB   ALA   1          2HB       ALA   1 -12.529   6.952  10.164
    3   2HB   ALA   1          1HB       ALA   1 -11.252   6.221   9.194
    4   3HB   ALA   1          3HB       ALA   1 -12.809   5.409   9.356
    5    QB   ALA   1           QB       ALA   1 -12.196   6.194   9.572
    6    H    ARG   2           H        ARG   2  -9.625   4.270  12.421
    7    HA   ARG   2           HA       ARG   2  -7.844   2.817  11.905
    8   1HB   ARG   2          2HB       ARG   2 -10.249   1.490  11.703
    9   2HB   ARG   2          1HB       ARG   2  -9.499   1.133  10.148
   10   1HG   ARG   2          2HG       ARG   2  -8.145  -0.364  11.137
   11   2HG   ARG   2          1HG       ARG   2  -7.492   0.907  12.171
   12   1HD   ARG   2          2HD       ARG   2  -8.554  -1.051  13.400
   13   2HD   ARG   2          1HD       ARG   2  -9.179   0.539  13.835
   14    HE   ARG   2           HE       ARG   2 -10.705  -0.720  11.698
   15   1HH1  ARG   2          1HH1      ARG   2 -10.543  -2.602  14.127
   16   2HH1  ARG   2          2HH1      ARG   2 -11.982  -2.151  14.976
   17   1HH2  ARG   2          1HH2      ARG   2 -12.420   0.799  13.206
   18   2HH2  ARG   2          2HH2      ARG   2 -13.045  -0.224  14.456
   19    QB   ARG   2           QB       ARG   2  -9.874   1.312  10.925
   20    QG   ARG   2           QG       ARG   2  -7.818   0.271  11.654
   21    QD   ARG   2           QD       ARG   2  -8.866  -0.256  13.617
   22    QH1  ARG   2           QH1      ARG   2 -11.262  -2.377  14.552
   23    QH2  ARG   2           QH2      ARG   2 -12.732   0.287  13.831
   24    H    LYS   3           H        LYS   3  -6.951   4.596  10.485
   25    HA   LYS   3           HA       LYS   3  -7.354   4.334   7.595
   26   1HB   LYS   3          2HB       LYS   3  -6.468   6.367   9.249
   27   2HB   LYS   3          1HB       LYS   3  -4.981   5.813   8.482
   28   1HG   LYS   3          2HG       LYS   3  -6.023   6.049   6.264
   29   2HG   LYS   3          1HG       LYS   3  -7.521   6.592   7.020
   30   1HD   LYS   3          2HD       LYS   3  -5.216   8.102   7.975
   31   2HD   LYS   3          1HD       LYS   3  -5.400   8.220   6.225
   32   1HE   LYS   3          2HE       LYS   3  -7.970   8.549   6.919
   33   2HE   LYS   3          1HE       LYS   3  -7.219   9.166   8.390
   34   1HZ   LYS   3          1HZ       LYS   3  -5.733  10.405   6.628
   35   2HZ   LYS   3          3HZ       LYS   3  -7.116  10.216   5.664
   36   3HZ   LYS   3          2HZ       LYS   3  -7.220  11.044   7.144
   37    QB   LYS   3           QB       LYS   3  -5.725   6.090   8.865
   38    QG   LYS   3           QG       LYS   3  -6.772   6.321   6.642
   39    QD   LYS   3           QD       LYS   3  -5.308   8.161   7.100
   40    QE   LYS   3           QE       LYS   3  -7.595   8.857   7.655
   41    QZ   LYS   3           QZ       LYS   3  -6.690  10.555   6.479
   42    H    PHE   4           H        PHE   4  -4.532   4.746   6.934
   43    HA   PHE   4           HA       PHE   4  -2.827   2.758   7.881
   44   1HB   PHE   4          2HB       PHE   4  -3.059   1.006   6.138
   45   2HB   PHE   4          1HB       PHE   4  -4.515   1.140   7.124
   46    HD1  PHE   4          1HD       PHE   4  -6.552   2.198   6.234
   47    HD2  PHE   4          2HD       PHE   4  -3.035   1.708   3.818
   48    HE1  PHE   4          1HE       PHE   4  -7.888   2.660   4.197
   49    HE2  PHE   4          2HE       PHE   4  -4.371   2.170   1.779
   50    HZ   PHE   4           HZ       PHE   4  -6.797   2.645   1.969
   51    QB   PHE   4           QB       PHE   4  -3.787   1.073   6.631
   52    QD   PHE   4           QD       PHE   4  -4.794   1.953   5.026
   53    QE   PHE   4           QE       PHE   4  -6.129   2.415   2.988
   54    QR   PHE   4           QR       PHE   4  -5.729   2.276   3.599
   55    H    TYR   5           H        TYR   5  -1.164   2.113   6.077
   56    HA   TYR   5           HA       TYR   5  -0.853   3.670   3.730
   57   1HB   TYR   5          2HB       TYR   5   0.930   5.225   4.495
   58   2HB   TYR   5          1HB       TYR   5  -0.618   5.600   5.232
   59    HD1  TYR   5          1HD       TYR   5   2.778   4.404   5.788
   60    HD2  TYR   5          2HD       TYR   5  -1.074   4.960   7.607
   61    HE1  TYR   5          1HE       TYR   5   3.796   4.111   8.030
   62    HE2  TYR   5          2HE       TYR   5  -0.055   4.666   9.850
   63    HH   TYR   5           HH       TYR   5   3.449   4.362  10.250
   64    QB   TYR   5           QB       TYR   5   0.156   5.412   4.864
   65    QD   TYR   5           QD       TYR   5   0.852   4.682   6.698
   66    QE   TYR   5           QE       TYR   5   1.871   4.389   8.940
   67    QR   TYR   5           QR       TYR   5   1.361   4.535   7.819
   68    H    VAL   6           H        VAL   6   1.795   3.719   3.359
   69    HA   VAL   6           HA       VAL   6   2.773   1.158   4.534
   70    HB   VAL   6           HB       VAL   6   3.538   1.644   1.721
   71   1HG1  VAL   6          2HG1      VAL   6   3.695  -0.373   3.613
   72   2HG1  VAL   6          1HG1      VAL   6   2.394  -0.921   2.557
   73   3HG1  VAL   6          3HG1      VAL   6   3.984  -0.564   1.884
   74   1HG2  VAL   6          2HG2      VAL   6   0.723   1.553   2.531
   75   2HG2  VAL   6          1HG2      VAL   6   1.411   1.819   0.933
   76   3HG2  VAL   6          3HG2      VAL   6   1.144   0.181   1.523
   77    QG1  VAL   6           QG1      VAL   6   3.358  -0.619   2.685
   78    QG2  VAL   6           QG2      VAL   6   1.093   1.184   1.662
   79    QQG  VAL   6           QQG      VAL   6   2.225   0.282   2.174
   80    H    ASP   7           H        ASP   7   5.109   0.815   3.937
   81    HA   ASP   7           HA       ASP   7   6.544   3.413   4.030
   82   1HB   ASP   7          2HB       ASP   7   6.519   1.584   6.026
   83   2HB   ASP   7          1HB       ASP   7   7.909   1.028   5.102
   84    QB   ASP   7           QB       ASP   7   7.214   1.306   5.564
   85    H    GLN   8           H        GLN   8   6.847   3.507   1.875
   86    HA   GLN   8           HA       GLN   8   7.738   1.392   0.184
   87   1HB   GLN   8          2HB       GLN   8   8.339   4.334  -0.115
   88   2HB   GLN   8          1HB       GLN   8   8.344   3.103  -1.368
   89   1HG   GLN   8          2HG       GLN   8   6.207   3.838  -1.725
   90   2HG   GLN   8          1HG       GLN   8   5.841   2.757  -0.379
   91   1HE2  GLN   8          2HE2      GLN   8   4.778   5.401   1.675
   92   2HE2  GLN   8          1HE2      GLN   8   4.756   3.739   1.333
   93    QB   GLN   8           QB       GLN   8   8.342   3.719  -0.742
   94    QG   GLN   8           QG       GLN   8   6.024   3.298  -1.052
   95    QE2  GLN   8           QE2      GLN   8   4.767   4.570   1.504
   96    H    ASP   9           H        ASP   9   9.314   1.283   2.499
   97    HA   ASP   9           HA       ASP   9  12.011   2.175   1.618
   98   1HB   ASP   9          2HB       ASP   9  10.720   2.108   4.161
   99   2HB   ASP   9          1HB       ASP   9  12.042   0.943   4.211
  100    QB   ASP   9           QB       ASP   9  11.381   1.525   4.186
  101    H    GLU  10           H        GLU  10  10.049  -0.621   2.421
  102    HA   GLU  10           HA       GLU  10  12.335  -2.403   1.685
  103   1HB   GLU  10          2HB       GLU  10  10.474  -2.500   3.846
  104   2HB   GLU  10          1HB       GLU  10  10.106  -3.851   2.773
  105   1HG   GLU  10          2HG       GLU  10  11.757  -4.702   4.247
  106   2HG   GLU  10          1HG       GLU  10  12.641  -4.311   2.771
  107    QB   GLU  10           QB       GLU  10  10.290  -3.176   3.309
  108    QG   GLU  10           QG       GLU  10  12.199  -4.507   3.509
  109    H    CYS  11           H        CYS  11  10.280  -0.908  -0.030
  110    HA   CYS  11           HA       CYS  11   8.669  -3.077  -1.172
  111   1HB   CYS  11          1HB       CYS  11   7.669  -0.886  -1.167
  112   2HB   CYS  11          2HB       CYS  11   9.077  -0.180  -1.961
  113    QB   CYS  11           QB       CYS  11   8.373  -0.533  -1.564
  114    H    ILE  12           H        ILE  12   9.354  -4.405  -2.762
  115    HA   ILE  12           HA       ILE  12  11.968  -3.905  -4.019
  116    HB   ILE  12           HB       ILE  12  11.633  -6.156  -5.022
  117   1HG1  ILE  12          2HG1      ILE  12   9.003  -6.049  -3.509
  118   2HG1  ILE  12          1HG1      ILE  12   9.183  -6.064  -5.263
  119   1HG2  ILE  12          2HG2      ILE  12  12.643  -5.918  -2.779
  120   2HG2  ILE  12          1HG2      ILE  12  11.039  -6.003  -2.050
  121   3HG2  ILE  12          3HG2      ILE  12  11.698  -7.403  -2.896
  122   1HD1  ILE  12          3HD1      ILE  12  10.696  -8.239  -4.156
  123   2HD1  ILE  12          2HD1      ILE  12   9.055  -8.297  -3.511
  124   3HD1  ILE  12          1HD1      ILE  12   9.318  -8.307  -5.255
  125    QG1  ILE  12           QG1      ILE  12   9.093  -6.057  -4.386
  126    QG2  ILE  12           QG2      ILE  12  11.794  -6.441  -2.575
  127    QD1  ILE  12           QD1      ILE  12   9.690  -8.281  -4.307
  128    H    ALA  13           H        ALA  13   8.935  -2.830  -4.637
  129    HA   ALA  13           HA       ALA  13   8.139  -1.664  -6.524
  130   1HB   ALA  13          3HB       ALA  13  10.723  -1.587  -7.040
  131   2HB   ALA  13          2HB       ALA  13  10.312  -2.810  -8.244
  132   3HB   ALA  13          1HB       ALA  13   9.557  -1.218  -8.310
  133    QB   ALA  13           QB       ALA  13  10.197  -1.872  -7.864
  134    H    CYS  14           H        CYS  14   7.413  -4.455  -5.824
  135    HA   CYS  14           HA       CYS  14   7.030  -5.717  -8.470
  136   1HB   CYS  14          1HB       CYS  14   6.403  -7.649  -7.351
  137   2HB   CYS  14          2HB       CYS  14   7.477  -6.922  -6.159
  138    QB   CYS  14           QB       CYS  14   6.940  -7.285  -6.755
  139    H    GLU  15           H        GLU  15   4.916  -6.106  -9.357
  140    HA   GLU  15           HA       GLU  15   3.005  -3.967  -8.680
  141   1HB   GLU  15          2HB       GLU  15   3.532  -5.724 -10.989
  142   2HB   GLU  15          1HB       GLU  15   1.823  -5.413 -10.685
  143   1HG   GLU  15          2HG       GLU  15   1.992  -3.267 -11.372
  144   2HG   GLU  15          1HG       GLU  15   3.449  -3.001 -10.413
  145    QB   GLU  15           QB       GLU  15   2.677  -5.568 -10.837
  146    QG   GLU  15           QG       GLU  15   2.720  -3.134 -10.892
  147    H    SER  16           H        SER  16   3.335  -6.153  -6.751
  148    HA   SER  16           HA       SER  16   1.036  -7.922  -7.029
  149   1HB   SER  16          2HB       SER  16   1.619  -8.719  -4.831
  150   2HB   SER  16          1HB       SER  16   3.128  -8.445  -5.697
  151    HG   SER  16           HG       SER  16   2.848  -7.555  -3.456
  152    QB   SER  16           QB       SER  16   2.373  -8.582  -5.264
  153    H    CYS  17           H        CYS  17   1.709  -5.547  -4.434
  154    HA   CYS  17           HA       CYS  17  -0.999  -5.272  -3.627
  155   1HB   CYS  17          1HB       CYS  17  -0.274  -3.430  -2.328
  156   2HB   CYS  17          2HB       CYS  17   1.157  -4.452  -2.454
  157    QB   CYS  17           QB       CYS  17   0.441  -3.941  -2.391
  158    H    VAL  18           H        VAL  18   0.932  -3.290  -5.875
  159    HA   VAL  18           HA       VAL  18  -0.984  -1.338  -6.498
  160    HB   VAL  18           HB       VAL  18   1.084  -2.660  -8.273
  161   1HG1  VAL  18          3HG1      VAL  18  -0.569  -0.156  -8.726
  162   2HG1  VAL  18          2HG1      VAL  18   0.800  -0.656  -9.721
  163   3HG1  VAL  18          1HG1      VAL  18  -0.659  -1.647  -9.665
  164   1HG2  VAL  18          3HG2      VAL  18   1.347  -0.974  -6.080
  165   2HG2  VAL  18          2HG2      VAL  18   2.557  -1.214  -7.340
  166   3HG2  VAL  18          1HG2      VAL  18   1.422   0.132  -7.451
  167    QG1  VAL  18           QG1      VAL  18  -0.143  -0.820  -9.371
  168    QG2  VAL  18           QG2      VAL  18   1.775  -0.685  -6.957
  169    QQG  VAL  18           QQG      VAL  18   0.816  -0.753  -8.164
  170    H    GLU  19           H        GLU  19  -0.626  -4.609  -7.885
  171    HA   GLU  19           HA       GLU  19  -2.731  -4.284  -9.803
  172   1HB   GLU  19          2HB       GLU  19  -0.917  -6.134  -9.690
  173   2HB   GLU  19          1HB       GLU  19  -2.006  -6.928  -8.552
  174   1HG   GLU  19          2HG       GLU  19  -3.145  -5.928 -11.126
  175   2HG   GLU  19          1HG       GLU  19  -2.179  -7.404 -11.163
  176    QB   GLU  19           QB       GLU  19  -1.461  -6.531  -9.121
  177    QG   GLU  19           QG       GLU  19  -2.662  -6.666 -11.145
  178    H    ILE  20           H        ILE  20  -2.700  -5.561  -6.494
  179    HA   ILE  20           HA       ILE  20  -5.603  -5.993  -6.592
  180    HB   ILE  20           HB       ILE  20  -3.707  -6.050  -4.248
  181   1HG1  ILE  20          2HG1      ILE  20  -4.655  -8.570  -4.924
  182   2HG1  ILE  20          1HG1      ILE  20  -4.038  -7.829  -6.386
  183   1HG2  ILE  20          3HG2      ILE  20  -6.581  -6.236  -4.471
  184   2HG2  ILE  20          2HG2      ILE  20  -5.898  -7.714  -3.796
  185   3HG2  ILE  20          1HG2      ILE  20  -5.590  -6.165  -3.015
  186   1HD1  ILE  20          2HD1      ILE  20  -2.114  -7.132  -4.586
  187   2HD1  ILE  20          1HD1      ILE  20  -2.596  -8.715  -3.976
  188   3HD1  ILE  20          3HD1      ILE  20  -2.015  -8.547  -5.633
  189    QG1  ILE  20           QG1      ILE  20  -4.346  -8.199  -5.655
  190    QG2  ILE  20           QG2      ILE  20  -6.023  -6.705  -3.761
  191    QD1  ILE  20           QD1      ILE  20  -2.242  -8.131  -4.732
  192    H    ALA  21           H        ALA  21  -3.956  -3.270  -6.783
  193    HA   ALA  21           HA       ALA  21  -6.030  -1.618  -5.697
  194   1HB   ALA  21          1HB       ALA  21  -3.558  -2.022  -4.006
  195   2HB   ALA  21          3HB       ALA  21  -4.519  -0.545  -3.903
  196   3HB   ALA  21          2HB       ALA  21  -5.248  -2.101  -3.507
  197    QB   ALA  21           QB       ALA  21  -4.442  -1.556  -3.806
  198    HA   PRO  22           HA       PRO  22  -2.936   0.178  -8.647
  199   1HB   PRO  22          2HB       PRO  22  -4.677   0.645 -10.680
  200   2HB   PRO  22          1HB       PRO  22  -3.812  -0.879 -10.488
  201   1HG   PRO  22          2HG       PRO  22  -6.639  -0.224  -9.797
  202   2HG   PRO  22          1HG       PRO  22  -5.962  -1.729 -10.438
  203   1HD   PRO  22          2HD       PRO  22  -6.642  -1.346  -7.803
  204   2HD   PRO  22          1HD       PRO  22  -5.436  -2.522  -8.361
  205    QB   PRO  22           QB       PRO  22  -4.245  -0.117 -10.584
  206    QG   PRO  22           QG       PRO  22  -6.301  -0.976 -10.118
  207    QD   PRO  22           QD       PRO  22  -6.039  -1.934  -8.082
  208    H    GLY  23           H        GLY  23  -5.601   1.110  -6.871
  209   1HA   GLY  23          2HA       GLY  23  -5.418   3.942  -7.820
  210   2HA   GLY  23          1HA       GLY  23  -6.843   3.262  -7.031
  211    QA   GLY  23           QA       GLY  23  -6.130   3.602  -7.426
  212    H    ALA  24           H        ALA  24  -5.288   1.810  -5.007
  213    HA   ALA  24           HA       ALA  24  -4.807   4.101  -3.203
  214   1HB   ALA  24          2HB       ALA  24  -5.122   1.126  -2.815
  215   2HB   ALA  24          1HB       ALA  24  -4.483   2.142  -1.523
  216   3HB   ALA  24          3HB       ALA  24  -6.104   2.434  -2.153
  217    QB   ALA  24           QB       ALA  24  -5.236   1.901  -2.164
  218    H    PHE  25           H        PHE  25  -3.060   1.219  -4.381
  219    HA   PHE  25           HA       PHE  25  -0.531   2.366  -3.299
  220   1HB   PHE  25          2HB       PHE  25  -1.555  -0.274  -3.553
  221   2HB   PHE  25          1HB       PHE  25  -0.212  -0.156  -4.685
  222    HD1  PHE  25          1HD       PHE  25  -0.852  -1.343  -1.611
  223    HD2  PHE  25          2HD       PHE  25   1.715   1.579  -3.431
  224    HE1  PHE  25          1HE       PHE  25   0.758  -1.591   0.260
  225    HE2  PHE  25          2HE       PHE  25   3.318   1.325  -1.552
  226    HZ   PHE  25           HZ       PHE  25   2.847  -0.254   0.286
  227    QB   PHE  25           QB       PHE  25  -0.884  -0.215  -4.119
  228    QD   PHE  25           QD       PHE  25   0.431   0.118  -2.521
  229    QE   PHE  25           QE       PHE  25   2.038  -0.133  -0.646
  230    QR   PHE  25           QR       PHE  25   1.557  -0.057  -1.210
  231    H    ALA  26           H        ALA  26   1.219   2.830  -4.731
  232    HA   ALA  26           HA       ALA  26   1.114   2.260  -7.562
  233   1HB   ALA  26          1HB       ALA  26   0.351   5.031  -6.617
  234   2HB   ALA  26          3HB       ALA  26   0.940   4.709  -8.247
  235   3HB   ALA  26          2HB       ALA  26  -0.560   3.968  -7.689
  236    QB   ALA  26           QB       ALA  26   0.244   4.569  -7.518
  237    H    MET  27           H        MET  27   3.222   2.163  -8.159
  238    HA   MET  27           HA       MET  27   5.377   2.954  -6.494
  239   1HB   MET  27          2HB       MET  27   5.286   1.369  -8.605
  240   2HB   MET  27          1HB       MET  27   5.726   2.844  -9.465
  241   1HG   MET  27          2HG       MET  27   7.647   3.135  -7.888
  242   2HG   MET  27          1HG       MET  27   7.242   1.577  -7.169
  243   1HE   MET  27          2HE       MET  27   8.293   3.594 -10.123
  244   2HE   MET  27          1HE       MET  27   9.784   3.061  -9.352
  245   3HE   MET  27          3HE       MET  27   9.405   2.548 -11.002
  246    QB   MET  27           QB       MET  27   5.506   2.106  -9.035
  247    QG   MET  27           QG       MET  27   7.444   2.356  -7.528
  248    QE   MET  27           QE       MET  27   9.160   3.068 -10.159
  249    H    ASP  28           H        ASP  28   6.907   4.794  -6.710
  250    HA   ASP  28           HA       ASP  28   5.715   7.005  -8.342
  251   1HB   ASP  28          2HB       ASP  28   5.826   6.911  -5.545
  252   2HB   ASP  28          1HB       ASP  28   7.205   7.903  -6.016
  253    QB   ASP  28           QB       ASP  28   6.515   7.407  -5.780
  254    HA   PRO  29           HA       PRO  29   9.868   7.363  -9.716
  255   1HB   PRO  29          2HB       PRO  29   9.938   9.966 -10.487
  256   2HB   PRO  29          1HB       PRO  29   9.023   8.739 -11.359
  257   1HG   PRO  29          2HG       PRO  29   8.038  10.904  -9.619
  258   2HG   PRO  29          1HG       PRO  29   7.193  10.019 -10.895
  259   1HD   PRO  29          2HD       PRO  29   6.984   9.632  -8.079
  260   2HD   PRO  29          1HD       PRO  29   6.214   8.685  -9.359
  261    QB   PRO  29           QB       PRO  29   9.480   9.352 -10.923
  262    QG   PRO  29           QG       PRO  29   7.615  10.462 -10.257
  263    QD   PRO  29           QD       PRO  29   6.599   9.158  -8.719
  264    H    GLU  30           H        GLU  30   8.671   9.224  -7.121
  265    HA   GLU  30           HA       GLU  30  11.335  10.309  -6.373
  266   1HB   GLU  30          2HB       GLU  30   8.741  11.261  -5.994
  267   2HB   GLU  30          1HB       GLU  30   9.174  10.608  -4.412
  268   1HG   GLU  30          2HG       GLU  30  11.293  11.913  -4.485
  269   2HG   GLU  30          1HG       GLU  30  10.779  12.620  -6.017
  270    QB   GLU  30           QB       GLU  30   8.958  10.935  -5.203
  271    QG   GLU  30           QG       GLU  30  11.036  12.266  -5.251
  272    H    ILE  31           H        ILE  31   9.018   7.848  -5.641
  273    HA   ILE  31           HA       ILE  31  10.690   6.820  -3.419
  274    HB   ILE  31           HB       ILE  31   8.219   5.385  -4.082
  275   1HG1  ILE  31          2HG1      ILE  31   7.763   7.959  -4.338
  276   2HG1  ILE  31          1HG1      ILE  31   6.656   6.959  -3.419
  277   1HG2  ILE  31          1HG2      ILE  31   9.482   6.439  -1.541
  278   2HG2  ILE  31          3HG2      ILE  31   8.000   5.484  -1.583
  279   3HG2  ILE  31          2HG2      ILE  31   9.519   4.782  -2.139
  280   1HD1  ILE  31          1HD1      ILE  31   8.959   8.233  -1.986
  281   2HD1  ILE  31          3HD1      ILE  31   7.577   9.241  -2.420
  282   3HD1  ILE  31          2HD1      ILE  31   7.351   7.833  -1.380
  283    QG1  ILE  31           QG1      ILE  31   7.209   7.459  -3.879
  284    QG2  ILE  31           QG2      ILE  31   9.000   5.569  -1.754
  285    QD1  ILE  31           QD1      ILE  31   7.963   8.436  -1.929
  286    H    GLU  32           H        GLU  32   9.876   6.456  -6.679
  287    HA   GLU  32           HA       GLU  32  10.172   4.718  -8.210
  288   1HB   GLU  32          2HB       GLU  32  12.629   4.530  -6.434
  289   2HB   GLU  32          1HB       GLU  32  12.433   3.536  -7.879
  290   1HG   GLU  32          2HG       GLU  32  12.579   5.357  -9.320
  291   2HG   GLU  32          1HG       GLU  32  12.027   6.500  -8.095
  292    QB   GLU  32           QB       GLU  32  12.531   4.033  -7.157
  293    QG   GLU  32           QG       GLU  32  12.303   5.928  -8.708
  294    H    LYS  33           H        LYS  33   8.579   4.314  -5.854
  295    HA   LYS  33           HA       LYS  33   8.549   1.342  -5.863
  296   1HB   LYS  33          2HB       LYS  33   9.554   2.950  -3.573
  297   2HB   LYS  33          1HB       LYS  33   8.460   1.622  -3.185
  298   1HG   LYS  33          2HG       LYS  33  10.034   0.071  -3.638
  299   2HG   LYS  33          1HG       LYS  33  10.460   0.846  -5.163
  300   1HD   LYS  33          2HD       LYS  33  11.536   2.643  -3.482
  301   2HD   LYS  33          1HD       LYS  33  11.647   1.212  -2.455
  302   1HE   LYS  33          2HE       LYS  33  13.665   1.131  -3.642
  303   2HE   LYS  33          1HE       LYS  33  12.627   0.065  -4.589
  304   1HZ   LYS  33          3HZ       LYS  33  13.067   2.947  -5.152
  305   2HZ   LYS  33          2HZ       LYS  33  13.838   1.670  -5.965
  306   3HZ   LYS  33          1HZ       LYS  33  12.156   1.868  -6.091
  307    QB   LYS  33           QB       LYS  33   9.007   2.286  -3.379
  308    QG   LYS  33           QG       LYS  33  10.247   0.458  -4.401
  309    QD   LYS  33           QD       LYS  33  11.592   1.928  -2.968
  310    QE   LYS  33           QE       LYS  33  13.146   0.598  -4.116
  311    QZ   LYS  33           QZ       LYS  33  13.020   2.161  -5.736
  312    H    ALA  34           H        ALA  34   6.584   0.484  -5.005
  313    HA   ALA  34           HA       ALA  34   4.259   2.072  -5.395
  314   1HB   ALA  34          3HB       ALA  34   4.847  -0.636  -4.797
  315   2HB   ALA  34          2HB       ALA  34   3.709  -0.078  -3.570
  316   3HB   ALA  34          1HB       ALA  34   3.294   0.047  -5.279
  317    QB   ALA  34           QB       ALA  34   3.950  -0.223  -4.549
  318    H    TYR  35           H        TYR  35   2.819   2.997  -3.901
  319    HA   TYR  35           HA       TYR  35   3.511   3.064  -1.035
  320   1HB   TYR  35          2HB       TYR  35   3.883   5.375  -0.846
  321   2HB   TYR  35          1HB       TYR  35   4.802   4.932  -2.277
  322    HD1  TYR  35          1HD       TYR  35   2.253   4.625  -4.091
  323    HD2  TYR  35          2HD       TYR  35   3.637   7.697  -1.436
  324    HE1  TYR  35          1HE       TYR  35   1.021   6.310  -5.413
  325    HE2  TYR  35          2HE       TYR  35   2.396   9.389  -2.755
  326    HH   TYR  35           HH       TYR  35   1.014   8.666  -5.833
  327    QB   TYR  35           QB       TYR  35   4.343   5.154  -1.561
  328    QD   TYR  35           QD       TYR  35   2.945   6.161  -2.763
  329    QE   TYR  35           QE       TYR  35   1.708   7.849  -4.084
  330    QR   TYR  35           QR       TYR  35   2.327   7.005  -3.424
  331    H    VAL  36           H        VAL  36   1.734   3.623   0.263
  332    HA   VAL  36           HA       VAL  36  -0.861   3.470  -1.139
  333    HB   VAL  36           HB       VAL  36   0.083   3.087   1.681
  334   1HG1  VAL  36          2HG1      VAL  36  -2.723   3.870   0.870
  335   2HG1  VAL  36          1HG1      VAL  36  -2.376   2.983   2.354
  336   3HG1  VAL  36          3HG1      VAL  36  -1.714   4.601   2.119
  337   1HG2  VAL  36          1HG2      VAL  36  -0.350   1.315  -0.199
  338   2HG2  VAL  36          3HG2      VAL  36  -0.919   0.982   1.437
  339   3HG2  VAL  36          2HG2      VAL  36  -2.049   1.556   0.210
  340    QG1  VAL  36           QG1      VAL  36  -2.271   3.818   1.781
  341    QG2  VAL  36           QG2      VAL  36  -1.106   1.285   0.483
  342    QQG  VAL  36           QQG      VAL  36  -1.688   2.551   1.132
  343    H    LYS  37           H        LYS  37  -1.228   5.493  -2.017
  344    HA   LYS  37           HA       LYS  37  -1.069   7.824  -0.150
  345   1HB   LYS  37          2HB       LYS  37  -1.028   9.222  -2.162
  346   2HB   LYS  37          1HB       LYS  37   0.240   8.000  -2.245
  347   1HG   LYS  37          2HG       LYS  37  -0.722   6.936  -4.008
  348   2HG   LYS  37          1HG       LYS  37  -2.350   7.140  -3.361
  349   1HD   LYS  37          2HD       LYS  37  -2.664   9.162  -4.407
  350   2HD   LYS  37          1HD       LYS  37  -0.958   9.601  -4.298
  351   1HE   LYS  37          2HE       LYS  37  -1.001   9.134  -6.541
  352   2HE   LYS  37          1HE       LYS  37  -0.769   7.484  -5.965
  353   1HZ   LYS  37          2HZ       LYS  37  -3.449   7.828  -5.802
  354   2HZ   LYS  37          1HZ       LYS  37  -3.057   8.678  -7.219
  355   3HZ   LYS  37          3HZ       LYS  37  -2.636   7.042  -7.070
  356    QB   LYS  37           QB       LYS  37  -0.394   8.611  -2.204
  357    QG   LYS  37           QG       LYS  37  -1.536   7.038  -3.685
  358    QD   LYS  37           QD       LYS  37  -1.811   9.382  -4.352
  359    QE   LYS  37           QE       LYS  37  -0.885   8.309  -6.253
  360    QZ   LYS  37           QZ       LYS  37  -3.047   7.849  -6.697
  361    H    ASP  38           H        ASP  38  -3.257   5.896  -2.053
  362    HA   ASP  38           HA       ASP  38  -5.448   7.800  -1.326
  363   1HB   ASP  38          2HB       ASP  38  -5.149   7.635  -3.749
  364   2HB   ASP  38          1HB       ASP  38  -5.270   5.877  -3.664
  365    QB   ASP  38           QB       ASP  38  -5.210   6.756  -3.706
  366    H    VAL  39           H        VAL  39  -6.865   7.008   0.145
  367    HA   VAL  39           HA       VAL  39  -6.743   4.158   0.874
  368    HB   VAL  39           HB       VAL  39  -8.186   4.773   2.733
  369   1HG1  VAL  39          2HG1      VAL  39  -5.683   6.064   2.136
  370   2HG1  VAL  39          1HG1      VAL  39  -6.695   7.162   3.077
  371   3HG1  VAL  39          3HG1      VAL  39  -6.314   5.557   3.703
  372   1HG2  VAL  39          2HG2      VAL  39  -9.629   6.323   1.360
  373   2HG2  VAL  39          1HG2      VAL  39  -9.176   6.977   2.933
  374   3HG2  VAL  39          3HG2      VAL  39  -8.349   7.530   1.477
  375    QG1  VAL  39           QG1      VAL  39  -6.231   6.261   2.972
  376    QG2  VAL  39           QG2      VAL  39  -9.051   6.943   1.923
  377    QQG  VAL  39           QQG      VAL  39  -7.641   6.602   2.448
  378    H    GLU  40           H        GLU  40  -8.975   6.410  -0.688
  379    HA   GLU  40           HA       GLU  40 -11.121   4.418  -0.828
  380   1HB   GLU  40          2HB       GLU  40 -12.319   6.110  -2.119
  381   2HB   GLU  40          1HB       GLU  40 -11.589   6.869  -0.703
  382   1HG   GLU  40          2HG       GLU  40  -9.736   6.845  -2.938
  383   2HG   GLU  40          1HG       GLU  40 -11.245   7.645  -3.377
  384    QB   GLU  40           QB       GLU  40 -11.954   6.489  -1.411
  385    QG   GLU  40           QG       GLU  40 -10.490   7.245  -3.157
  386    H    GLY  41           H        GLY  41  -8.270   5.015  -2.548
  387   1HA   GLY  41          2HA       GLY  41  -9.090   4.426  -5.224
  388   2HA   GLY  41          1HA       GLY  41  -7.459   4.192  -4.592
  389    QA   GLY  41           QA       GLY  41  -8.274   4.309  -4.908
  390    H    ALA  42           H        ALA  42  -8.815   2.449  -2.416
  391    HA   ALA  42           HA       ALA  42  -9.640   0.104  -4.004
  392   1HB   ALA  42          2HB       ALA  42  -6.950   0.405  -3.411
  393   2HB   ALA  42          1HB       ALA  42  -7.531  -0.623  -2.099
  394   3HB   ALA  42          3HB       ALA  42  -7.751  -1.124  -3.775
  395    QB   ALA  42           QB       ALA  42  -7.411  -0.447  -3.095
  396    H    SER  43           H        SER  43 -11.126  -1.056  -2.858
  397    HA   SER  43           HA       SER  43 -12.119  -0.133  -0.357
  398   1HB   SER  43          2HB       SER  43 -12.707  -2.930  -0.724
  399   2HB   SER  43          1HB       SER  43 -13.785  -1.546  -0.877
  400    HG   SER  43           HG       SER  43 -13.634  -2.592  -2.858
  401    QB   SER  43           QB       SER  43 -13.246  -2.238  -0.800
  402    H    GLN  44           H        GLN  44 -12.019  -1.172   1.739
  403    HA   GLN  44           HA       GLN  44  -9.467  -1.767   2.703
  404   1HB   GLN  44          2HB       GLN  44 -10.650  -2.883   4.624
  405   2HB   GLN  44          1HB       GLN  44 -11.280  -1.282   4.234
  406   1HG   GLN  44          2HG       GLN  44 -12.851  -2.763   2.620
  407   2HG   GLN  44          1HG       GLN  44 -12.548  -3.950   3.889
  408   1HE2  GLN  44          2HE2      GLN  44 -15.496  -2.094   5.075
  409   2HE2  GLN  44          1HE2      GLN  44 -15.125  -3.243   3.881
  410    QB   GLN  44           QB       GLN  44 -10.965  -2.083   4.429
  411    QG   GLN  44           QG       GLN  44 -12.700  -3.357   3.255
  412    QE2  GLN  44           QE2      GLN  44 -15.310  -2.669   4.478
  413    H    GLU  45           H        GLU  45 -11.952  -4.075   1.582
  414    HA   GLU  45           HA       GLU  45 -10.402  -6.429   2.102
  415   1HB   GLU  45          2HB       GLU  45 -12.563  -5.938   0.028
  416   2HB   GLU  45          1HB       GLU  45 -11.942  -7.525   0.483
  417   1HG   GLU  45          2HG       GLU  45 -12.886  -5.744   2.683
  418   2HG   GLU  45          1HG       GLU  45 -14.114  -6.478   1.649
  419    QB   GLU  45           QB       GLU  45 -12.253  -6.732   0.255
  420    QG   GLU  45           QG       GLU  45 -13.500  -6.111   2.166
  421    H    GLU  46           H        GLU  46 -10.146  -3.968  -0.274
  422    HA   GLU  46           HA       GLU  46  -8.603  -5.668  -2.149
  423   1HB   GLU  46          2HB       GLU  46  -9.069  -2.673  -2.250
  424   2HB   GLU  46          1HB       GLU  46  -8.539  -3.714  -3.569
  425   1HG   GLU  46          2HG       GLU  46 -10.729  -4.964  -3.333
  426   2HG   GLU  46          1HG       GLU  46 -11.244  -3.698  -2.216
  427    QB   GLU  46           QB       GLU  46  -8.804  -3.193  -2.910
  428    QG   GLU  46           QG       GLU  46 -10.987  -4.331  -2.775
  429    H    VAL  47           H        VAL  47  -8.208  -2.842  -0.069
  430    HA   VAL  47           HA       VAL  47  -5.419  -2.486  -0.392
  431    HB   VAL  47           HB       VAL  47  -7.449  -1.799   1.705
  432   1HG1  VAL  47          1HG1      VAL  47  -4.479  -1.900   2.118
  433   2HG1  VAL  47          3HG1      VAL  47  -5.428  -0.627   2.887
  434   3HG1  VAL  47          2HG1      VAL  47  -5.776  -2.320   3.238
  435   1HG2  VAL  47          3HG2      VAL  47  -6.323  -0.541  -0.511
  436   2HG2  VAL  47          2HG2      VAL  47  -7.272   0.240   0.753
  437   3HG2  VAL  47          1HG2      VAL  47  -5.512   0.213   0.860
  438    QG1  VAL  47           QG1      VAL  47  -5.228  -1.616   2.748
  439    QG2  VAL  47           QG2      VAL  47  -6.369  -0.029   0.367
  440    QQG  VAL  47           QQG      VAL  47  -5.798  -0.823   1.557
  441    H    GLU  48           H        GLU  48  -7.323  -4.614   1.727
  442    HA   GLU  48           HA       GLU  48  -5.144  -5.651   3.232
  443   1HB   GLU  48          2HB       GLU  48  -7.976  -5.924   2.991
  444   2HB   GLU  48          1HB       GLU  48  -7.259  -7.522   2.950
  445   1HG   GLU  48          2HG       GLU  48  -5.819  -6.298   4.942
  446   2HG   GLU  48          1HG       GLU  48  -7.421  -5.594   5.146
  447    QB   GLU  48           QB       GLU  48  -7.617  -6.723   2.970
  448    QG   GLU  48           QG       GLU  48  -6.620  -5.946   5.044
  449    H    GLU  49           H        GLU  49  -7.073  -7.206   0.622
  450    HA   GLU  49           HA       GLU  49  -5.411  -9.438   0.230
  451   1HB   GLU  49          2HB       GLU  49  -7.011  -7.852  -1.801
  452   2HB   GLU  49          1HB       GLU  49  -6.268  -9.414  -2.145
  453   1HG   GLU  49          2HG       GLU  49  -7.702  -9.665   0.307
  454   2HG   GLU  49          1HG       GLU  49  -8.772  -8.892  -0.864
  455    QB   GLU  49           QB       GLU  49  -6.640  -8.633  -1.973
  456    QG   GLU  49           QG       GLU  49  -8.237  -9.279  -0.278
  457    H    ALA  50           H        ALA  50  -5.138  -6.176  -1.120
  458    HA   ALA  50           HA       ALA  50  -2.846  -6.743  -2.784
  459   1HB   ALA  50          1HB       ALA  50  -4.479  -4.693  -2.820
  460   2HB   ALA  50          3HB       ALA  50  -3.410  -4.033  -1.584
  461   3HB   ALA  50          2HB       ALA  50  -2.775  -4.422  -3.181
  462    QB   ALA  50           QB       ALA  50  -3.555  -4.383  -2.529
  463    H    MET  51           H        MET  51  -3.303  -6.175   0.594
  464    HA   MET  51           HA       MET  51  -0.553  -5.338   1.110
  465   1HB   MET  51          2HB       MET  51  -2.999  -5.200   2.455
  466   2HB   MET  51          1HB       MET  51  -2.050  -6.348   3.389
  467   1HG   MET  51          2HG       MET  51  -1.237  -4.433   4.357
  468   2HG   MET  51          1HG       MET  51  -0.169  -4.451   2.953
  469   1HE   MET  51          3HE       MET  51  -2.605  -3.126   4.987
  470   2HE   MET  51          2HE       MET  51  -2.813  -1.455   4.473
  471   3HE   MET  51          1HE       MET  51  -3.962  -2.682   3.943
  472    QB   MET  51           QB       MET  51  -2.525  -5.774   2.922
  473    QG   MET  51           QG       MET  51  -0.703  -4.442   3.655
  474    QE   MET  51           QE       MET  51  -3.127  -2.421   4.467
  475    H    ASP  52           H        ASP  52  -2.527  -8.239   1.826
  476    HA   ASP  52           HA       ASP  52  -0.457  -9.803   2.962
  477   1HB   ASP  52          2HB       ASP  52  -2.996 -10.296   2.783
  478   2HB   ASP  52          1HB       ASP  52  -2.608 -10.976   1.202
  479    QB   ASP  52           QB       ASP  52  -2.802 -10.636   1.992
  480    H    THR  53           H        THR  53  -1.257  -9.131  -0.399
  481    HA   THR  53           HA       THR  53   0.302 -11.169  -1.630
  482    HB   THR  53           HB       THR  53   0.518  -9.010  -3.342
  483    HG1  THR  53          1HG       THR  53  -0.887  -7.581  -2.775
  484   1HG2  THR  53          2HG2      THR  53  -0.660 -11.447  -3.353
  485   2HG2  THR  53          1HG2      THR  53  -2.092 -10.418  -3.307
  486   3HG2  THR  53          3HG2      THR  53  -0.923 -10.244  -4.616
  487    QG2  THR  53           QG2      THR  53  -1.225 -10.703  -3.759
  488    H    CYS  54           H        CYS  54   1.211  -8.056  -0.241
  489    HA   CYS  54           HA       CYS  54   3.799  -7.812  -1.373
  490   1HB   CYS  54          1HB       CYS  54   2.546  -6.126   0.120
  491   2HB   CYS  54          2HB       CYS  54   3.155  -7.065   1.484
  492    QB   CYS  54           QB       CYS  54   2.850  -6.596   0.802
  493    HA   PRO  55           HA       PRO  55   5.684 -11.360   0.489
  494   1HB   PRO  55          2HB       PRO  55   8.226 -10.885  -0.350
  495   2HB   PRO  55          1HB       PRO  55   6.973 -11.540  -1.405
  496   1HG   PRO  55          2HG       PRO  55   8.002  -8.742  -1.218
  497   2HG   PRO  55          1HG       PRO  55   7.494  -9.655  -2.647
  498   1HD   PRO  55          2HD       PRO  55   5.944  -7.752  -1.431
  499   2HD   PRO  55          1HD       PRO  55   5.287  -9.106  -2.374
  500    QB   PRO  55           QB       PRO  55   7.599 -11.212  -0.877
  501    QG   PRO  55           QG       PRO  55   7.748  -9.199  -1.932
  502    QD   PRO  55           QD       PRO  55   5.616  -8.429  -1.903
  503    H    VAL  56           H        VAL  56   7.550  -8.299   0.609
  504    HA   VAL  56           HA       VAL  56   8.602  -8.953   3.262
  505    HB   VAL  56           HB       VAL  56   8.702  -6.311   1.772
  506   1HG1  VAL  56          2HG1      VAL  56  10.242  -7.498   4.090
  507   2HG1  VAL  56          1HG1      VAL  56  10.825  -6.110   3.174
  508   3HG1  VAL  56          3HG1      VAL  56   9.308  -6.002   4.067
  509   1HG2  VAL  56          3HG2      VAL  56  10.176  -8.867   1.434
  510   2HG2  VAL  56          2HG2      VAL  56   9.874  -7.581   0.266
  511   3HG2  VAL  56          1HG2      VAL  56  11.164  -7.407   1.456
  512    QG1  VAL  56           QG1      VAL  56  10.125  -6.537   3.777
  513    QG2  VAL  56           QG2      VAL  56  10.405  -7.952   1.052
  514    QQG  VAL  56           QQG      VAL  56  10.265  -7.244   2.415
  515    H    GLN  57           H        GLN  57   5.774  -7.539   1.983
  516    HA   GLN  57           HA       GLN  57   4.034  -6.290   2.950
  517   1HB   GLN  57          2HB       GLN  57   4.800  -8.477   4.709
  518   2HB   GLN  57          1HB       GLN  57   4.097  -7.136   5.614
  519   1HG   GLN  57          2HG       GLN  57   2.048  -7.313   4.563
  520   2HG   GLN  57          1HG       GLN  57   2.747  -7.968   3.081
  521   1HE2  GLN  57          2HE2      GLN  57   1.508 -10.493   6.006
  522   2HE2  GLN  57          1HE2      GLN  57   1.364  -8.809   6.173
  523    QB   GLN  57           QB       GLN  57   4.449  -7.806   5.162
  524    QG   GLN  57           QG       GLN  57   2.398  -7.640   3.822
  525    QE2  GLN  57           QE2      GLN  57   1.436  -9.651   6.090
  526    H    CYS  58           H        CYS  58   5.322  -4.275   2.772
  527    HA   CYS  58           HA       CYS  58   6.608  -3.361   5.280
  528   1HB   CYS  58          2HB       CYS  58   7.317  -2.929   2.712
  529   2HB   CYS  58          1HB       CYS  58   6.285  -1.521   2.962
  530    HG   CYS  58           HG       CYS  58   8.319  -0.566   4.031
  531    QB   CYS  58           QB       CYS  58   6.801  -2.225   2.837
  532    H    ILE  59           H        ILE  59   3.567  -3.738   4.620
  533    HA   ILE  59           HA       ILE  59   2.375  -1.137   4.691
  534    HB   ILE  59           HB       ILE  59   1.033  -3.056   4.066
  535   1HG1  ILE  59          2HG1      ILE  59  -0.880  -2.800   5.649
  536   2HG1  ILE  59          1HG1      ILE  59   0.185  -1.946   6.766
  537   1HG2  ILE  59          1HG2      ILE  59   2.420  -4.319   6.150
  538   2HG2  ILE  59          3HG2      ILE  59   0.740  -4.279   6.684
  539   3HG2  ILE  59          2HG2      ILE  59   1.158  -5.029   5.143
  540   1HD1  ILE  59          1HD1      ILE  59   0.649  -0.524   4.507
  541   2HD1  ILE  59          3HD1      ILE  59  -1.016  -1.020   4.214
  542   3HD1  ILE  59          2HD1      ILE  59  -0.612  -0.105   5.665
  543    QG1  ILE  59           QG1      ILE  59  -0.347  -2.373   6.208
  544    QG2  ILE  59           QG2      ILE  59   1.440  -4.543   5.993
  545    QD1  ILE  59           QD1      ILE  59  -0.326  -0.550   4.795
  546    H    HIS  60           H        HIS  60   1.276  -0.148   6.567
  547    HA   HIS  60           HA       HIS  60   2.484  -0.897   9.194
  548   1HB   HIS  60          2HB       HIS  60   2.660   1.678   7.706
  549   2HB   HIS  60          1HB       HIS  60   2.420   1.772   9.448
  550    HD1  HIS  60          1HD       HIS  60   4.958   1.056   6.879
  551    HD2  HIS  60          2HD       HIS  60   4.541   0.427  10.977
  552    HE1  HIS  60          1HE       HIS  60   7.267   0.488   7.755
  553    QB   HIS  60           QB       HIS  60   2.540   1.725   8.577
  554    H    TRP  61           H        TRP  61  -0.118   0.680   7.419
  555    HA   TRP  61           HA       TRP  61  -2.353   1.063   8.011
  556   1HB   TRP  61          2HB       TRP  61  -1.540  -0.791  10.245
  557   2HB   TRP  61          1HB       TRP  61  -3.113  -0.023  10.232
  558    HD1  TRP  61           HD       TRP  61  -0.968  -2.470   8.188
  559    HE1  TRP  61          1HE       TRP  61  -2.555  -3.846   6.685
  560    HE3  TRP  61          3HE       TRP  61  -5.324  -0.076   9.152
  561    HZ2  TRP  61          2HZ       TRP  61  -5.343  -3.901   5.981
  562    HZ3  TRP  61          3HZ       TRP  61  -7.450  -0.786   8.064
  563    HH2  TRP  61           HH       TRP  61  -7.459  -2.699   6.482
  564    QB   TRP  61           QB       TRP  61  -2.327  -0.407  10.239
  565    H    GLU  62           H        GLU  62  -3.628   2.323   9.650
  566    HA   GLU  62           HA       GLU  62  -1.942   3.853  11.557
  567   1HB   GLU  62          2HB       GLU  62  -1.816   5.290   9.675
  568   2HB   GLU  62          1HB       GLU  62  -3.493   4.981   9.220
  569   1HG   GLU  62          2HG       GLU  62  -4.320   6.252  11.081
  570   2HG   GLU  62          1HG       GLU  62  -2.718   6.344  11.813
  571    QB   GLU  62           QB       GLU  62  -2.654   5.136   9.447
  572    QG   GLU  62           QG       GLU  62  -3.519   6.298  11.447
  573    H    ASP  63           H        ASP  63  -3.100   2.987  13.304
  574    HA   ASP  63           HA       ASP  63  -5.912   2.635  13.441
  575   1HB   ASP  63          2HB       ASP  63  -3.920   3.263  15.642
  576   2HB   ASP  63          1HB       ASP  63  -5.581   2.740  15.923
  577    QB   ASP  63           QB       ASP  63  -4.751   3.001  15.782
  578    H    GLU  64           H        GLU  64  -3.895   5.446  14.290
  579    HA   GLU  64           HA       GLU  64  -6.040   7.289  13.691
  580   1HB   GLU  64          2HB       GLU  64  -6.680   6.310  15.976
  581   2HB   GLU  64          1HB       GLU  64  -5.270   7.158  16.612
  582   1HG   GLU  64          2HG       GLU  64  -6.267   9.241  15.408
  583   2HG   GLU  64          1HG       GLU  64  -7.767   8.313  15.390
  584    QB   GLU  64           QB       GLU  64  -5.975   6.734  16.294
  585    QG   GLU  64           QG       GLU  64  -7.017   8.777  15.399
   
  No H/Q in entry =         585
  Start of MODEL   17
    1    HA   ALA   1           HA       ALA   1 -12.210  10.880   6.334
    2   1HB   ALA   1          1HB       ALA   1 -13.510  11.277   8.883
    3   2HB   ALA   1          3HB       ALA   1 -11.848  11.864   8.962
    4   3HB   ALA   1          2HB       ALA   1 -12.947  12.487   7.730
    5    QB   ALA   1           QB       ALA   1 -12.768  11.876   8.525
    6    H    ARG   2           H        ARG   2 -11.258   8.138   7.276
    7    HA   ARG   2           HA       ARG   2  -8.778   8.853   8.727
    8   1HB   ARG   2          2HB       ARG   2 -10.367   6.634   8.846
    9   2HB   ARG   2          1HB       ARG   2  -9.115   6.090   7.729
   10   1HG   ARG   2          2HG       ARG   2  -7.380   6.513   9.307
   11   2HG   ARG   2          1HG       ARG   2  -8.453   7.451  10.347
   12   1HD   ARG   2          2HD       ARG   2  -9.144   4.594   9.754
   13   2HD   ARG   2          1HD       ARG   2  -7.889   4.939  10.946
   14    HE   ARG   2           HE       ARG   2  -9.924   6.572  11.771
   15   1HH1  ARG   2          1HH1      ARG   2  -9.450   3.217  11.200
   16   2HH1  ARG   2          2HH1      ARG   2 -10.863   2.727  12.073
   17   1HH2  ARG   2          1HH2      ARG   2 -11.890   5.968  12.756
   18   2HH2  ARG   2          2HH2      ARG   2 -12.244   4.283  12.955
   19    QB   ARG   2           QB       ARG   2  -9.741   6.362   8.288
   20    QG   ARG   2           QG       ARG   2  -7.916   6.982   9.827
   21    QD   ARG   2           QD       ARG   2  -8.517   4.766  10.350
   22    QH1  ARG   2           QH1      ARG   2 -10.156   2.972  11.636
   23    QH2  ARG   2           QH2      ARG   2 -12.067   5.126  12.856
   24    H    LYS   3           H        LYS   3  -6.758   7.574   7.775
   25    HA   LYS   3           HA       LYS   3  -6.732   7.757   4.808
   26   1HB   LYS   3          2HB       LYS   3  -5.858   9.884   6.163
   27   2HB   LYS   3          1HB       LYS   3  -4.399   8.904   6.283
   28   1HG   LYS   3          2HG       LYS   3  -3.858   9.436   4.168
   29   2HG   LYS   3          1HG       LYS   3  -5.369   8.722   3.600
   30   1HD   LYS   3          2HD       LYS   3  -5.910  11.270   4.837
   31   2HD   LYS   3          1HD       LYS   3  -4.663  11.462   3.603
   32   1HE   LYS   3          2HE       LYS   3  -6.233   9.981   2.135
   33   2HE   LYS   3          1HE       LYS   3  -7.476  10.440   3.298
   34   1HZ   LYS   3          1HZ       LYS   3  -6.545  12.809   2.865
   35   2HZ   LYS   3          3HZ       LYS   3  -5.978  12.128   1.419
   36   3HZ   LYS   3          2HZ       LYS   3  -7.640  12.114   1.767
   37    QB   LYS   3           QB       LYS   3  -5.129   9.394   6.223
   38    QG   LYS   3           QG       LYS   3  -4.613   9.079   3.884
   39    QD   LYS   3           QD       LYS   3  -5.286  11.366   4.220
   40    QE   LYS   3           QE       LYS   3  -6.855  10.210   2.717
   41    QZ   LYS   3           QZ       LYS   3  -6.721  12.350   2.017
   42    H    PHE   4           H        PHE   4  -3.880   7.386   4.642
   43    HA   PHE   4           HA       PHE   4  -2.722   5.382   6.179
   44   1HB   PHE   4          2HB       PHE   4  -3.260   3.318   4.848
   45   2HB   PHE   4          1HB       PHE   4  -4.642   3.941   5.744
   46    HD1  PHE   4          1HD       PHE   4  -6.579   4.807   4.613
   47    HD2  PHE   4          2HD       PHE   4  -3.041   3.780   2.402
   48    HE1  PHE   4          1HE       PHE   4  -7.836   5.042   2.487
   49    HE2  PHE   4          2HE       PHE   4  -4.299   4.013   0.279
   50    HZ   PHE   4           HZ       PHE   4  -6.697   4.645   0.321
   51    QB   PHE   4           QB       PHE   4  -3.951   3.630   5.296
   52    QD   PHE   4           QD       PHE   4  -4.810   4.294   3.507
   53    QE   PHE   4           QE       PHE   4  -6.068   4.528   1.383
   54    QR   PHE   4           QR       PHE   4  -5.690   4.458   2.020
   55    H    TYR   5           H        TYR   5  -1.330   3.821   4.537
   56    HA   TYR   5           HA       TYR   5  -0.600   4.575   1.971
   57   1HB   TYR   5          2HB       TYR   5   1.369   6.021   2.302
   58   2HB   TYR   5          1HB       TYR   5  -0.079   6.835   2.860
   59    HD1  TYR   5          1HD       TYR   5  -0.300   7.530   5.128
   60    HD2  TYR   5          2HD       TYR   5   2.830   4.815   3.997
   61    HE1  TYR   5          1HE       TYR   5   0.715   7.759   7.379
   62    HE2  TYR   5          2HE       TYR   5   3.843   5.042   6.248
   63    HH   TYR   5           HH       TYR   5   2.305   7.052   8.757
   64    QB   TYR   5           QB       TYR   5   0.645   6.428   2.581
   65    QD   TYR   5           QD       TYR   5   1.265   6.172   4.563
   66    QE   TYR   5           QE       TYR   5   2.279   6.400   6.814
   67    QR   TYR   5           QR       TYR   5   1.772   6.286   5.688
   68    H    VAL   6           H        VAL   6   2.044   4.120   1.843
   69    HA   VAL   6           HA       VAL   6   2.458   1.911   3.804
   70    HB   VAL   6           HB       VAL   6   3.509   1.526   1.055
   71   1HG1  VAL   6          1HG1      VAL   6   3.098   0.110   3.490
   72   2HG1  VAL   6          3HG1      VAL   6   2.100  -0.660   2.258
   73   3HG1  VAL   6          2HG1      VAL   6   3.837  -0.481   2.003
   74   1HG2  VAL   6          1HG2      VAL   6   0.694   2.018   1.573
   75   2HG2  VAL   6          3HG2      VAL   6   1.466   1.580   0.054
   76   3HG2  VAL   6          2HG2      VAL   6   0.923   0.328   1.169
   77    QG1  VAL   6           QG1      VAL   6   3.012  -0.344   2.584
   78    QG2  VAL   6           QG2      VAL   6   1.028   1.309   0.932
   79    QQG  VAL   6           QQG      VAL   6   2.020   0.482   1.758
   80    H    ASP   7           H        ASP   7   4.782   1.048   3.513
   81    HA   ASP   7           HA       ASP   7   6.595   3.354   3.132
   82   1HB   ASP   7          2HB       ASP   7   6.269   1.566   5.473
   83   2HB   ASP   7          1HB       ASP   7   7.917   2.012   5.039
   84    QB   ASP   7           QB       ASP   7   7.093   1.789   5.256
   85    H    GLN   8           H        GLN   8   7.142   2.649   1.139
   86    HA   GLN   8           HA       GLN   8   7.965   0.004   0.445
   87   1HB   GLN   8          2HB       GLN   8   8.535   2.731  -0.695
   88   2HB   GLN   8          1HB       GLN   8   9.260   1.274  -1.365
   89   1HG   GLN   8          2HG       GLN   8   6.992   2.130  -2.350
   90   2HG   GLN   8          1HG       GLN   8   7.207   0.405  -2.056
   91   1HE2  GLN   8          2HE2      GLN   8   4.744   0.256   0.485
   92   2HE2  GLN   8          1HE2      GLN   8   5.953  -0.579  -0.365
   93    QB   GLN   8           QB       GLN   8   8.897   2.002  -1.030
   94    QG   GLN   8           QG       GLN   8   7.100   1.268  -2.203
   95    QE2  GLN   8           QE2      GLN   8   5.349  -0.162   0.060
   96    H    ASP   9           H        ASP   9   9.207   0.572   2.895
   97    HA   ASP   9           HA       ASP   9  12.069   1.039   2.219
   98   1HB   ASP   9          2HB       ASP   9  10.437   1.647   4.495
   99   2HB   ASP   9          1HB       ASP   9  11.690   0.507   4.997
  100    QB   ASP   9           QB       ASP   9  11.063   1.077   4.746
  101    H    GLU  10           H        GLU  10   9.770  -1.386   3.019
  102    HA   GLU  10           HA       GLU  10  11.984  -3.365   3.297
  103   1HB   GLU  10          2HB       GLU  10   9.723  -2.829   5.000
  104   2HB   GLU  10          1HB       GLU  10   9.581  -4.451   4.331
  105   1HG   GLU  10          2HG       GLU  10  12.105  -3.395   5.625
  106   2HG   GLU  10          1HG       GLU  10  10.893  -4.350   6.480
  107    QB   GLU  10           QB       GLU  10   9.652  -3.640   4.666
  108    QG   GLU  10           QG       GLU  10  11.499  -3.872   6.053
  109    H    CYS  11           H        CYS  11   9.442  -2.289   1.363
  110    HA   CYS  11           HA       CYS  11   8.218  -4.640   0.411
  111   1HB   CYS  11          1HB       CYS  11   7.491  -2.389  -0.286
  112   2HB   CYS  11          2HB       CYS  11   8.989  -2.178  -1.193
  113    QB   CYS  11           QB       CYS  11   8.240  -2.283  -0.740
  114    H    ILE  12           H        ILE  12   9.269  -6.446  -0.244
  115    HA   ILE  12           HA       ILE  12  11.973  -6.373  -1.292
  116    HB   ILE  12           HB       ILE  12  11.752  -8.774  -1.523
  117   1HG1  ILE  12          2HG1      ILE  12   8.788  -8.251  -1.144
  118   2HG1  ILE  12          1HG1      ILE  12   9.569  -8.892  -2.590
  119   1HG2  ILE  12          3HG2      ILE  12  11.828  -7.655   0.797
  120   2HG2  ILE  12          2HG2      ILE  12  10.112  -8.049   0.907
  121   3HG2  ILE  12          1HG2      ILE  12  11.304  -9.339   0.738
  122   1HD1  ILE  12          2HD1      ILE  12  10.328 -10.863  -1.283
  123   2HD1  ILE  12          1HD1      ILE  12   9.479 -10.235   0.129
  124   3HD1  ILE  12          3HD1      ILE  12   8.570 -10.723  -1.302
  125    QG1  ILE  12           QG1      ILE  12   9.178  -8.571  -1.867
  126    QG2  ILE  12           QG2      ILE  12  11.081  -8.348   0.814
  127    QD1  ILE  12           QD1      ILE  12   9.459 -10.607  -0.819
  128    H    ALA  13           H        ALA  13   8.773  -7.060  -2.760
  129    HA   ALA  13           HA       ALA  13   9.154  -5.726  -5.158
  130   1HB   ALA  13          1HB       ALA  13  10.545  -8.388  -5.114
  131   2HB   ALA  13          3HB       ALA  13   9.830  -7.804  -6.617
  132   3HB   ALA  13          2HB       ALA  13  11.085  -6.861  -5.813
  133    QB   ALA  13           QB       ALA  13  10.486  -7.685  -5.848
  134    H    CYS  14           H        CYS  14   7.939  -8.652  -3.618
  135    HA   CYS  14           HA       CYS  14   6.123  -9.611  -5.489
  136   1HB   CYS  14          1HB       CYS  14   5.367 -10.826  -3.754
  137   2HB   CYS  14          2HB       CYS  14   6.484  -9.924  -2.732
  138    QB   CYS  14           QB       CYS  14   5.926 -10.375  -3.243
  139    H    GLU  15           H        GLU  15   3.837  -9.158  -5.863
  140    HA   GLU  15           HA       GLU  15   3.159  -6.283  -5.382
  141   1HB   GLU  15          2HB       GLU  15   2.024  -6.263  -7.529
  142   2HB   GLU  15          1HB       GLU  15   3.665  -6.859  -7.773
  143   1HG   GLU  15          2HG       GLU  15   1.774  -8.999  -7.122
  144   2HG   GLU  15          1HG       GLU  15   1.350  -8.141  -8.603
  145    QB   GLU  15           QB       GLU  15   2.844  -6.561  -7.651
  146    QG   GLU  15           QG       GLU  15   1.562  -8.570  -7.863
  147    H    SER  16           H        SER  16   2.455  -8.928  -3.942
  148    HA   SER  16           HA       SER  16  -0.164  -9.753  -4.280
  149   1HB   SER  16          2HB       SER  16   1.661  -9.524  -1.998
  150   2HB   SER  16          1HB       SER  16  -0.033  -9.422  -1.531
  151    HG   SER  16           HG       SER  16   1.314 -11.578  -2.094
  152    QB   SER  16           QB       SER  16   0.814  -9.473  -1.765
  153    H    CYS  17           H        CYS  17   0.840  -6.887  -2.386
  154    HA   CYS  17           HA       CYS  17  -1.779  -5.956  -1.789
  155   1HB   CYS  17          1HB       CYS  17  -0.731  -3.855  -1.253
  156   2HB   CYS  17          2HB       CYS  17   0.407  -5.126  -0.802
  157    QB   CYS  17           QB       CYS  17  -0.162  -4.490  -1.028
  158    H    VAL  18           H        VAL  18   0.416  -4.958  -4.440
  159    HA   VAL  18           HA       VAL  18  -1.229  -3.141  -5.756
  160    HB   VAL  18           HB       VAL  18   0.326  -5.262  -7.248
  161   1HG1  VAL  18          3HG1      VAL  18  -1.017  -3.621  -8.549
  162   2HG1  VAL  18          2HG1      VAL  18  -0.150  -2.308  -7.753
  163   3HG1  VAL  18          1HG1      VAL  18   0.715  -3.416  -8.818
  164   1HG2  VAL  18          2HG2      VAL  18   1.265  -3.020  -5.489
  165   2HG2  VAL  18          1HG2      VAL  18   1.958  -4.626  -5.714
  166   3HG2  VAL  18          3HG2      VAL  18   2.179  -3.390  -6.952
  167    QG1  VAL  18           QG1      VAL  18  -0.151  -3.115  -8.373
  168    QG2  VAL  18           QG2      VAL  18   1.801  -3.678  -6.052
  169    QQG  VAL  18           QQG      VAL  18   0.825  -3.397  -7.212
  170    H    GLU  19           H        GLU  19  -1.461  -6.672  -5.753
  171    HA   GLU  19           HA       GLU  19  -3.516  -6.741  -7.796
  172   1HB   GLU  19          2HB       GLU  19  -2.146  -8.678  -6.054
  173   2HB   GLU  19          1HB       GLU  19  -3.836  -9.077  -6.366
  174   1HG   GLU  19          2HG       GLU  19  -2.159  -8.207  -8.682
  175   2HG   GLU  19          1HG       GLU  19  -1.904  -9.831  -8.043
  176    QB   GLU  19           QB       GLU  19  -2.991  -8.878  -6.210
  177    QG   GLU  19           QG       GLU  19  -2.031  -9.019  -8.362
  178    H    ILE  20           H        ILE  20  -3.493  -6.551  -4.284
  179    HA   ILE  20           HA       ILE  20  -6.428  -6.769  -4.186
  180    HB   ILE  20           HB       ILE  20  -4.440  -6.063  -2.028
  181   1HG1  ILE  20          2HG1      ILE  20  -5.663  -8.504  -1.585
  182   2HG1  ILE  20          1HG1      ILE  20  -5.125  -8.509  -3.249
  183   1HG2  ILE  20          2HG2      ILE  20  -7.402  -6.523  -2.045
  184   2HG2  ILE  20          1HG2      ILE  20  -6.447  -6.824  -0.594
  185   3HG2  ILE  20          3HG2      ILE  20  -6.505  -5.206  -1.290
  186   1HD1  ILE  20          3HD1      ILE  20  -2.965  -7.401  -2.034
  187   2HD1  ILE  20          2HD1      ILE  20  -3.539  -8.477  -0.760
  188   3HD1  ILE  20          1HD1      ILE  20  -3.125  -9.128  -2.346
  189    QG1  ILE  20           QG1      ILE  20  -5.394  -8.507  -2.417
  190    QG2  ILE  20           QG2      ILE  20  -6.785  -6.184  -1.310
  191    QD1  ILE  20           QD1      ILE  20  -3.210  -8.335  -1.713
  192    H    ALA  21           H        ALA  21  -4.556  -4.518  -5.450
  193    HA   ALA  21           HA       ALA  21  -6.454  -2.383  -5.134
  194   1HB   ALA  21          1HB       ALA  21  -4.034  -2.394  -3.356
  195   2HB   ALA  21          3HB       ALA  21  -4.611  -0.857  -4.002
  196   3HB   ALA  21          2HB       ALA  21  -5.675  -1.848  -3.005
  197    QB   ALA  21           QB       ALA  21  -4.774  -1.700  -3.454
  198    HA   PRO  22           HA       PRO  22  -3.328  -2.299  -8.586
  199   1HB   PRO  22          2HB       PRO  22  -5.105  -2.592 -10.622
  200   2HB   PRO  22          1HB       PRO  22  -4.336  -3.956  -9.810
  201   1HG   PRO  22          2HG       PRO  22  -7.085  -2.846  -9.429
  202   2HG   PRO  22          1HG       PRO  22  -6.544  -4.533  -9.406
  203   1HD   PRO  22          2HD       PRO  22  -7.081  -3.088  -7.146
  204   2HD   PRO  22          1HD       PRO  22  -5.940  -4.447  -7.197
  205    QB   PRO  22           QB       PRO  22  -4.721  -3.274 -10.216
  206    QG   PRO  22           QG       PRO  22  -6.814  -3.690  -9.417
  207    QD   PRO  22           QD       PRO  22  -6.511  -3.768  -7.172
  208    H    GLY  23           H        GLY  23  -4.016  -0.080  -7.245
  209   1HA   GLY  23          2HA       GLY  23  -4.354   1.912  -9.318
  210   2HA   GLY  23          1HA       GLY  23  -5.773   1.815  -8.269
  211    QA   GLY  23           QA       GLY  23  -5.064   1.863  -8.793
  212    H    ALA  24           H        ALA  24  -4.861   1.449  -5.802
  213    HA   ALA  24           HA       ALA  24  -3.530   3.976  -5.185
  214   1HB   ALA  24          3HB       ALA  24  -5.346   2.476  -3.840
  215   2HB   ALA  24          2HB       ALA  24  -3.862   1.928  -3.060
  216   3HB   ALA  24          1HB       ALA  24  -4.285   3.641  -3.048
  217    QB   ALA  24           QB       ALA  24  -4.498   2.682  -3.316
  218    H    PHE  25           H        PHE  25  -2.701   0.522  -5.082
  219    HA   PHE  25           HA       PHE  25   0.044   1.229  -4.188
  220   1HB   PHE  25          2HB       PHE  25  -1.658  -1.012  -3.769
  221   2HB   PHE  25          1HB       PHE  25  -0.299  -1.572  -4.740
  222    HD1  PHE  25          1HD       PHE  25   1.963  -0.012  -3.845
  223    HD2  PHE  25          2HD       PHE  25  -1.287  -1.619  -1.541
  224    HE1  PHE  25          1HE       PHE  25   3.403  -0.056  -1.824
  225    HE2  PHE  25          2HE       PHE  25   0.160  -1.655   0.474
  226    HZ   PHE  25           HZ       PHE  25   2.511  -0.875   0.325
  227    QB   PHE  25           QB       PHE  25  -0.978  -1.292  -4.254
  228    QD   PHE  25           QD       PHE  25   0.338  -0.815  -2.693
  229    QE   PHE  25           QE       PHE  25   1.782  -0.856  -0.675
  230    QR   PHE  25           QR       PHE  25   1.350  -0.843  -1.282
  231    H    ALA  26           H        ALA  26   1.749   1.167  -5.615
  232    HA   ALA  26           HA       ALA  26   1.652  -0.386  -8.076
  233   1HB   ALA  26          1HB       ALA  26   0.412   2.056  -8.251
  234   2HB   ALA  26          3HB       ALA  26   2.058   2.458  -8.744
  235   3HB   ALA  26          2HB       ALA  26   1.157   1.214  -9.611
  236    QB   ALA  26           QB       ALA  26   1.209   1.909  -8.869
  237    H    MET  27           H        MET  27   3.721  -1.045  -8.343
  238    HA   MET  27           HA       MET  27   5.920  -0.009  -6.871
  239   1HB   MET  27          2HB       MET  27   6.049  -2.251  -7.736
  240   2HB   MET  27          1HB       MET  27   5.807  -1.680  -9.387
  241   1HG   MET  27          2HG       MET  27   7.949  -0.535  -9.362
  242   2HG   MET  27          1HG       MET  27   8.178  -0.924  -7.657
  243   1HE   MET  27          1HE       MET  27   7.883  -3.207  -6.765
  244   2HE   MET  27          3HE       MET  27   6.848  -4.119  -7.873
  245   3HE   MET  27          2HE       MET  27   8.478  -4.686  -7.514
  246    QB   MET  27           QB       MET  27   5.928  -1.965  -8.562
  247    QG   MET  27           QG       MET  27   8.063  -0.729  -8.510
  248    QE   MET  27           QE       MET  27   7.736  -4.004  -7.384
  249    H    ASP  28           H        ASP  28   7.715   1.384  -7.550
  250    HA   ASP  28           HA       ASP  28   7.077   2.875 -10.070
  251   1HB   ASP  28          2HB       ASP  28   6.791   3.942  -7.585
  252   2HB   ASP  28          1HB       ASP  28   8.490   4.296  -7.879
  253    QB   ASP  28           QB       ASP  28   7.641   4.119  -7.732
  254    HA   PRO  29           HA       PRO  29  11.291   1.945 -10.884
  255   1HB   PRO  29          2HB       PRO  29  11.918   3.888 -12.680
  256   2HB   PRO  29          1HB       PRO  29  10.846   2.542 -13.063
  257   1HG   PRO  29          2HG       PRO  29  10.180   5.373 -12.598
  258   2HG   PRO  29          1HG       PRO  29   9.262   4.131 -13.461
  259   1HD   PRO  29          2HD       PRO  29   8.822   5.107 -10.821
  260   2HD   PRO  29          1HD       PRO  29   7.951   3.810 -11.650
  261    QB   PRO  29           QB       PRO  29  11.382   3.215 -12.871
  262    QG   PRO  29           QG       PRO  29   9.721   4.752 -13.030
  263    QD   PRO  29           QD       PRO  29   8.386   4.458 -11.235
  264    H    GLU  30           H        GLU  30  10.332   4.948  -9.569
  265    HA   GLU  30           HA       GLU  30  13.102   5.826  -8.956
  266   1HB   GLU  30          2HB       GLU  30  10.720   7.218  -9.383
  267   2HB   GLU  30          1HB       GLU  30  10.922   7.271  -7.631
  268   1HG   GLU  30          2HG       GLU  30  12.290   9.034  -8.061
  269   2HG   GLU  30          1HG       GLU  30  13.472   7.792  -8.478
  270    QB   GLU  30           QB       GLU  30  10.821   7.245  -8.507
  271    QG   GLU  30           QG       GLU  30  12.881   8.413  -8.270
  272    H    ILE  31           H        ILE  31  10.280   4.346  -7.597
  273    HA   ILE  31           HA       ILE  31  11.619   4.086  -4.970
  274    HB   ILE  31           HB       ILE  31   9.552   3.955  -3.930
  275   1HG1  ILE  31          2HG1      ILE  31   8.566   2.947  -6.605
  276   2HG1  ILE  31          1HG1      ILE  31   8.534   2.128  -5.047
  277   1HG2  ILE  31          1HG2      ILE  31   9.910   6.156  -5.127
  278   2HG2  ILE  31          3HG2      ILE  31   8.855   5.554  -6.406
  279   3HG2  ILE  31          2HG2      ILE  31   8.224   5.777  -4.774
  280   1HD1  ILE  31          1HD1      ILE  31   6.927   3.855  -4.219
  281   2HD1  ILE  31          3HD1      ILE  31   6.882   4.543  -5.841
  282   3HD1  ILE  31          2HD1      ILE  31   6.285   2.907  -5.560
  283    QG1  ILE  31           QG1      ILE  31   8.550   2.537  -5.826
  284    QG2  ILE  31           QG2      ILE  31   8.996   5.829  -5.436
  285    QD1  ILE  31           QD1      ILE  31   6.698   3.768  -5.206
  286    H    GLU  32           H        GLU  32  11.289   2.535  -7.799
  287    HA   GLU  32           HA       GLU  32  11.026   0.265  -8.431
  288   1HB   GLU  32          2HB       GLU  32  13.325   0.253  -6.449
  289   2HB   GLU  32          1HB       GLU  32  13.044  -0.967  -7.693
  290   1HG   GLU  32          2HG       GLU  32  13.684   0.431  -9.408
  291   2HG   GLU  32          1HG       GLU  32  13.135   1.882  -8.569
  292    QB   GLU  32           QB       GLU  32  13.185  -0.357  -7.071
  293    QG   GLU  32           QG       GLU  32  13.409   1.157  -8.989
  294    H    LYS  33           H        LYS  33   9.108   0.757  -6.512
  295    HA   LYS  33           HA       LYS  33   8.732  -1.920  -5.420
  296   1HB   LYS  33          2HB       LYS  33   9.953   0.140  -3.713
  297   2HB   LYS  33          1HB       LYS  33   8.530  -0.624  -3.008
  298   1HG   LYS  33          2HG       LYS  33   9.538  -2.679  -2.859
  299   2HG   LYS  33          1HG       LYS  33  10.490  -2.435  -4.318
  300   1HD   LYS  33          2HD       LYS  33  11.378  -0.496  -2.454
  301   2HD   LYS  33          1HD       LYS  33  11.275  -2.025  -1.581
  302   1HE   LYS  33          2HE       LYS  33  12.537  -3.090  -3.504
  303   2HE   LYS  33          1HE       LYS  33  12.815  -1.463  -4.126
  304   1HZ   LYS  33          1HZ       LYS  33  13.871  -0.888  -2.023
  305   2HZ   LYS  33          3HZ       LYS  33  13.624  -2.466  -1.449
  306   3HZ   LYS  33          2HZ       LYS  33  14.661  -2.194  -2.766
  307    QB   LYS  33           QB       LYS  33   9.242  -0.242  -3.360
  308    QG   LYS  33           QG       LYS  33  10.014  -2.557  -3.589
  309    QD   LYS  33           QD       LYS  33  11.327  -1.260  -2.017
  310    QE   LYS  33           QE       LYS  33  12.676  -2.277  -3.815
  311    QZ   LYS  33           QZ       LYS  33  14.052  -1.850  -2.079
  312    H    ALA  34           H        ALA  34   6.592  -2.251  -4.753
  313    HA   ALA  34           HA       ALA  34   4.583  -0.522  -5.774
  314   1HB   ALA  34          2HB       ALA  34   4.484  -2.692  -3.667
  315   2HB   ALA  34          1HB       ALA  34   3.042  -1.855  -4.243
  316   3HB   ALA  34          3HB       ALA  34   4.011  -2.814  -5.361
  317    QB   ALA  34           QB       ALA  34   3.846  -2.454  -4.424
  318    H    TYR  35           H        TYR  35   3.394   1.122  -4.825
  319    HA   TYR  35           HA       TYR  35   3.779   1.740  -1.948
  320   1HB   TYR  35          2HB       TYR  35   4.629   3.913  -2.248
  321   2HB   TYR  35          1HB       TYR  35   5.564   2.932  -3.365
  322    HD1  TYR  35          1HD       TYR  35   3.155   2.676  -5.410
  323    HD2  TYR  35          2HD       TYR  35   5.051   5.982  -3.441
  324    HE1  TYR  35          1HE       TYR  35   2.502   4.152  -7.278
  325    HE2  TYR  35          2HE       TYR  35   4.386   7.467  -5.311
  326    HH   TYR  35           HH       TYR  35   2.806   6.176  -8.207
  327    QB   TYR  35           QB       TYR  35   5.097   3.423  -2.807
  328    QD   TYR  35           QD       TYR  35   4.103   4.329  -4.425
  329    QE   TYR  35           QE       TYR  35   3.444   5.809  -6.295
  330    QR   TYR  35           QR       TYR  35   3.773   5.069  -5.360
  331    H    VAL  36           H        VAL  36   2.110   2.927  -1.056
  332    HA   VAL  36           HA       VAL  36  -0.378   2.918  -2.624
  333    HB   VAL  36           HB       VAL  36   0.364   3.271   0.263
  334   1HG1  VAL  36          3HG1      VAL  36  -2.225   4.159  -1.020
  335   2HG1  VAL  36          2HG1      VAL  36  -2.086   3.775   0.696
  336   3HG1  VAL  36          1HG1      VAL  36  -1.151   5.105   0.012
  337   1HG2  VAL  36          3HG2      VAL  36  -0.158   1.043  -0.764
  338   2HG2  VAL  36          2HG2      VAL  36  -1.250   1.477   0.554
  339   3HG2  VAL  36          1HG2      VAL  36  -1.780   1.636  -1.121
  340    QG1  VAL  36           QG1      VAL  36  -1.821   4.346  -0.104
  341    QG2  VAL  36           QG2      VAL  36  -1.063   1.385  -0.444
  342    QQG  VAL  36           QQG      VAL  36  -1.442   2.866  -0.274
  343    H    LYS  37           H        LYS  37  -0.355   4.623  -4.059
  344    HA   LYS  37           HA       LYS  37   0.179   7.340  -2.915
  345   1HB   LYS  37          2HB       LYS  37   0.786   8.025  -5.195
  346   2HB   LYS  37          1HB       LYS  37   1.766   6.648  -4.692
  347   1HG   LYS  37          2HG       LYS  37   1.099   5.803  -6.716
  348   2HG   LYS  37          1HG       LYS  37  -0.328   5.336  -5.795
  349   1HD   LYS  37          2HD       LYS  37  -1.199   6.451  -7.694
  350   2HD   LYS  37          1HD       LYS  37  -1.264   7.660  -6.412
  351   1HE   LYS  37          2HE       LYS  37  -0.193   8.957  -7.960
  352   2HE   LYS  37          1HE       LYS  37   1.236   8.116  -7.358
  353   1HZ   LYS  37          2HZ       LYS  37   0.004   6.491  -9.270
  354   2HZ   LYS  37          1HZ       LYS  37   0.142   8.049  -9.933
  355   3HZ   LYS  37          3HZ       LYS  37   1.522   7.250  -9.357
  356    QB   LYS  37           QB       LYS  37   1.276   7.337  -4.944
  357    QG   LYS  37           QG       LYS  37   0.386   5.569  -6.255
  358    QD   LYS  37           QD       LYS  37  -1.231   7.056  -7.053
  359    QE   LYS  37           QE       LYS  37   0.522   8.536  -7.659
  360    QZ   LYS  37           QZ       LYS  37   0.556   7.263  -9.520
  361    H    ASP  38           H        ASP  38  -1.980   5.407  -4.944
  362    HA   ASP  38           HA       ASP  38  -3.815   7.747  -5.127
  363   1HB   ASP  38          2HB       ASP  38  -3.302   6.710  -7.269
  364   2HB   ASP  38          1HB       ASP  38  -3.760   5.125  -6.646
  365    QB   ASP  38           QB       ASP  38  -3.531   5.917  -6.957
  366    H    VAL  39           H        VAL  39  -4.575   7.531  -2.922
  367    HA   VAL  39           HA       VAL  39  -5.594   5.194  -1.729
  368    HB   VAL  39           HB       VAL  39  -7.116   6.782  -0.460
  369   1HG1  VAL  39          3HG1      VAL  39  -4.341   6.441  -0.383
  370   2HG1  VAL  39          2HG1      VAL  39  -4.569   8.187  -0.295
  371   3HG1  VAL  39          1HG1      VAL  39  -5.342   7.136   0.892
  372   1HG2  VAL  39          3HG2      VAL  39  -6.337   8.460  -2.714
  373   2HG2  VAL  39          2HG2      VAL  39  -7.622   8.706  -1.531
  374   3HG2  VAL  39          1HG2      VAL  39  -5.978   9.236  -1.172
  375    QG1  VAL  39           QG1      VAL  39  -4.751   7.255   0.071
  376    QG2  VAL  39           QG2      VAL  39  -6.646   8.801  -1.806
  377    QQG  VAL  39           QQG      VAL  39  -5.698   8.028  -0.867
  378    H    GLU  40           H        GLU  40  -6.986   7.246  -4.210
  379    HA   GLU  40           HA       GLU  40  -9.668   6.162  -4.011
  380   1HB   GLU  40          2HB       GLU  40  -8.423   8.250  -5.417
  381   2HB   GLU  40          1HB       GLU  40  -8.977   7.128  -6.661
  382   1HG   GLU  40          2HG       GLU  40 -11.228   7.271  -5.957
  383   2HG   GLU  40          1HG       GLU  40 -10.784   7.960  -4.394
  384    QB   GLU  40           QB       GLU  40  -8.700   7.689  -6.039
  385    QG   GLU  40           QG       GLU  40 -11.006   7.616  -5.175
  386    H    GLY  41           H        GLY  41  -6.720   4.968  -5.251
  387   1HA   GLY  41          2HA       GLY  41  -7.789   3.331  -7.388
  388   2HA   GLY  41          1HA       GLY  41  -6.208   3.129  -6.630
  389    QA   GLY  41           QA       GLY  41  -6.998   3.230  -7.009
  390    H    ALA  42           H        ALA  42  -7.551   2.999  -3.925
  391    HA   ALA  42           HA       ALA  42  -8.968   0.396  -4.138
  392   1HB   ALA  42          1HB       ALA  42  -6.237   0.703  -3.290
  393   2HB   ALA  42          3HB       ALA  42  -7.213   0.206  -1.907
  394   3HB   ALA  42          2HB       ALA  42  -7.199  -0.773  -3.375
  395    QB   ALA  42           QB       ALA  42  -6.883   0.045  -2.858
  396    H    SER  43           H        SER  43 -10.203  -0.091  -2.183
  397    HA   SER  43           HA       SER  43 -10.934   2.384  -0.727
  398   1HB   SER  43          2HB       SER  43 -12.292  -0.123  -1.467
  399   2HB   SER  43          1HB       SER  43 -12.658   0.446   0.152
  400    HG   SER  43           HG       SER  43 -13.499   2.266  -0.657
  401    QB   SER  43           QB       SER  43 -12.475   0.162  -0.657
  402    H    GLN  44           H        GLN  44 -11.931   1.337   1.608
  403    HA   GLN  44           HA       GLN  44  -9.516   0.935   3.160
  404   1HB   GLN  44          2HB       GLN  44 -11.385   2.149   4.139
  405   2HB   GLN  44          1HB       GLN  44 -12.452   0.764   3.907
  406   1HG   GLN  44          2HG       GLN  44 -10.787  -0.549   5.365
  407   2HG   GLN  44          1HG       GLN  44 -10.118   1.022   5.807
  408   1HE2  GLN  44          2HE2      GLN  44 -13.567  -0.210   7.508
  409   2HE2  GLN  44          1HE2      GLN  44 -12.658  -1.212   6.482
  410    QB   GLN  44           QB       GLN  44 -11.918   1.457   4.023
  411    QG   GLN  44           QG       GLN  44 -10.453   0.236   5.586
  412    QE2  GLN  44           QE2      GLN  44 -13.112  -0.711   6.995
  413    H    GLU  45           H        GLU  45 -12.382  -1.128   2.552
  414    HA   GLU  45           HA       GLU  45 -11.292  -3.464   3.794
  415   1HB   GLU  45          2HB       GLU  45 -13.313  -3.281   1.534
  416   2HB   GLU  45          1HB       GLU  45 -13.043  -4.685   2.569
  417   1HG   GLU  45          2HG       GLU  45 -14.097  -1.970   3.398
  418   2HG   GLU  45          1HG       GLU  45 -14.946  -3.515   3.463
  419    QB   GLU  45           QB       GLU  45 -13.178  -3.983   2.051
  420    QG   GLU  45           QG       GLU  45 -14.522  -2.742   3.430
  421    H    GLU  46           H        GLU  46 -10.634  -1.927   0.776
  422    HA   GLU  46           HA       GLU  46  -9.458  -4.365  -0.426
  423   1HB   GLU  46          2HB       GLU  46  -9.309  -1.496  -1.400
  424   2HB   GLU  46          1HB       GLU  46  -8.991  -2.953  -2.338
  425   1HG   GLU  46          2HG       GLU  46 -11.413  -3.629  -1.795
  426   2HG   GLU  46          1HG       GLU  46 -11.634  -1.955  -1.280
  427    QB   GLU  46           QB       GLU  46  -9.150  -2.225  -1.869
  428    QG   GLU  46           QG       GLU  46 -11.523  -2.792  -1.537
  429    H    VAL  47           H        VAL  47  -8.526  -1.207   0.802
  430    HA   VAL  47           HA       VAL  47  -5.698  -1.565   0.575
  431    HB   VAL  47           HB       VAL  47  -7.533   0.243   2.116
  432   1HG1  VAL  47          2HG1      VAL  47  -4.786  -0.509   2.912
  433   2HG1  VAL  47          1HG1      VAL  47  -5.114   1.223   2.846
  434   3HG1  VAL  47          3HG1      VAL  47  -6.092   0.179   3.877
  435   1HG2  VAL  47          3HG2      VAL  47  -6.113   0.353  -0.291
  436   2HG2  VAL  47          2HG2      VAL  47  -6.900   1.707   0.518
  437   3HG2  VAL  47          1HG2      VAL  47  -5.192   1.379   0.807
  438    QG1  VAL  47           QG1      VAL  47  -5.331   0.298   3.212
  439    QG2  VAL  47           QG2      VAL  47  -6.068   1.146   0.345
  440    QQG  VAL  47           QQG      VAL  47  -5.700   0.722   1.778
  441    H    GLU  48           H        GLU  48  -8.129  -2.649   2.843
  442    HA   GLU  48           HA       GLU  48  -6.394  -3.383   4.992
  443   1HB   GLU  48          2HB       GLU  48  -9.173  -3.415   4.286
  444   2HB   GLU  48          1HB       GLU  48  -8.715  -4.994   4.877
  445   1HG   GLU  48          2HG       GLU  48  -7.433  -3.353   6.651
  446   2HG   GLU  48          1HG       GLU  48  -8.897  -2.437   6.299
  447    QB   GLU  48           QB       GLU  48  -8.944  -4.204   4.581
  448    QG   GLU  48           QG       GLU  48  -8.165  -2.895   6.475
  449    H    GLU  49           H        GLU  49  -8.252  -5.488   2.756
  450    HA   GLU  49           HA       GLU  49  -6.917  -7.880   3.266
  451   1HB   GLU  49          2HB       GLU  49  -8.472  -6.785   1.026
  452   2HB   GLU  49          1HB       GLU  49  -7.302  -8.011   0.533
  453   1HG   GLU  49          2HG       GLU  49  -8.659  -8.794   2.977
  454   2HG   GLU  49          1HG       GLU  49  -9.814  -8.480   1.680
  455    QB   GLU  49           QB       GLU  49  -7.887  -7.398   0.779
  456    QG   GLU  49           QG       GLU  49  -9.237  -8.637   2.328
  457    H    ALA  50           H        ALA  50  -6.000  -5.401   0.848
  458    HA   ALA  50           HA       ALA  50  -3.651  -6.685  -0.100
  459   1HB   ALA  50          1HB       ALA  50  -4.817  -4.491  -0.908
  460   2HB   ALA  50          3HB       ALA  50  -3.795  -3.696   0.289
  461   3HB   ALA  50          2HB       ALA  50  -3.062  -4.604  -1.035
  462    QB   ALA  50           QB       ALA  50  -3.891  -4.264  -0.551
  463    H    MET  51           H        MET  51  -4.195  -4.562   2.691
  464    HA   MET  51           HA       MET  51  -1.428  -4.429   3.496
  465   1HB   MET  51          2HB       MET  51  -2.872  -2.742   4.359
  466   2HB   MET  51          1HB       MET  51  -4.047  -3.929   4.923
  467   1HG   MET  51          2HG       MET  51  -2.458  -4.746   6.598
  468   2HG   MET  51          1HG       MET  51  -1.232  -3.626   6.008
  469   1HE   MET  51          3HE       MET  51  -1.823  -1.214   5.535
  470   2HE   MET  51          2HE       MET  51  -3.572  -1.077   5.383
  471   3HE   MET  51          1HE       MET  51  -2.730  -0.172   6.639
  472    QB   MET  51           QB       MET  51  -3.459  -3.335   4.641
  473    QG   MET  51           QG       MET  51  -1.845  -4.186   6.303
  474    QE   MET  51           QE       MET  51  -2.708  -0.821   5.853
  475    H    ASP  52           H        ASP  52  -3.771  -6.903   3.632
  476    HA   ASP  52           HA       ASP  52  -2.399  -8.264   5.893
  477   1HB   ASP  52          2HB       ASP  52  -4.917  -8.136   5.830
  478   2HB   ASP  52          1HB       ASP  52  -4.875  -9.141   4.382
  479    QB   ASP  52           QB       ASP  52  -4.896  -8.639   5.106
  480    H    THR  53           H        THR  53  -2.157  -8.050   2.571
  481    HA   THR  53           HA       THR  53  -1.179 -10.867   2.359
  482    HB   THR  53           HB       THR  53  -1.784  -9.118  -0.016
  483    HG1  THR  53          1HG       THR  53  -3.891 -10.182   0.086
  484   1HG2  THR  53          1HG2      THR  53  -1.216 -11.952   0.559
  485   2HG2  THR  53          3HG2      THR  53  -2.557 -11.691  -0.557
  486   3HG2  THR  53          2HG2      THR  53  -0.963 -11.030  -0.924
  487    QG2  THR  53           QG2      THR  53  -1.579 -11.558  -0.307
  488    H    CYS  54           H        CYS  54   0.520  -9.021   3.555
  489    HA   CYS  54           HA       CYS  54   2.535  -8.557   1.392
  490   1HB   CYS  54          1HB       CYS  54   1.667  -6.411   2.287
  491   2HB   CYS  54          2HB       CYS  54   2.116  -6.918   3.915
  492    QB   CYS  54           QB       CYS  54   1.891  -6.664   3.101
  493    HA   PRO  55           HA       PRO  55   5.027 -11.284   3.766
  494   1HB   PRO  55          2HB       PRO  55   7.478 -10.602   2.806
  495   2HB   PRO  55          1HB       PRO  55   6.319 -11.562   1.888
  496   1HG   PRO  55          2HG       PRO  55   6.940  -8.645   1.662
  497   2HG   PRO  55          1HG       PRO  55   6.595  -9.817   0.379
  498   1HD   PRO  55          2HD       PRO  55   4.758  -8.021   1.296
  499   2HD   PRO  55          1HD       PRO  55   4.320  -9.603   0.616
  500    QB   PRO  55           QB       PRO  55   6.899 -11.082   2.347
  501    QG   PRO  55           QG       PRO  55   6.767  -9.231   1.021
  502    QD   PRO  55           QD       PRO  55   4.539  -8.812   0.956
  503    H    VAL  56           H        VAL  56   5.883  -7.849   3.576
  504    HA   VAL  56           HA       VAL  56   6.860  -8.026   6.398
  505    HB   VAL  56           HB       VAL  56   7.858  -6.139   4.241
  506   1HG1  VAL  56          3HG1      VAL  56   8.657  -6.636   7.121
  507   2HG1  VAL  56          2HG1      VAL  56   9.656  -5.736   5.980
  508   3HG1  VAL  56          1HG1      VAL  56   8.059  -5.132   6.419
  509   1HG2  VAL  56          2HG2      VAL  56   8.436  -8.838   4.515
  510   2HG2  VAL  56          1HG2      VAL  56   9.468  -7.649   3.721
  511   3HG2  VAL  56          3HG2      VAL  56   9.739  -8.060   5.414
  512    QG1  VAL  56           QG1      VAL  56   8.791  -5.835   6.507
  513    QG2  VAL  56           QG2      VAL  56   9.214  -8.182   4.550
  514    QQG  VAL  56           QQG      VAL  56   9.003  -7.009   5.528
  515    H    GLN  57           H        GLN  57   4.447  -6.916   4.430
  516    HA   GLN  57           HA       GLN  57   2.755  -5.327   4.726
  517   1HB   GLN  57          2HB       GLN  57   3.929  -5.586   7.480
  518   2HB   GLN  57          1HB       GLN  57   2.714  -4.347   7.162
  519   1HG   GLN  57          2HG       GLN  57   1.036  -5.878   6.841
  520   2HG   GLN  57          1HG       GLN  57   2.122  -7.073   6.133
  521   1HE2  GLN  57          2HE2      GLN  57   1.570  -7.005  10.193
  522   2HE2  GLN  57          1HE2      GLN  57   1.042  -5.698   9.248
  523    QB   GLN  57           QB       GLN  57   3.322  -4.967   7.321
  524    QG   GLN  57           QG       GLN  57   1.579  -6.475   6.487
  525    QE2  GLN  57           QE2      GLN  57   1.306  -6.351   9.720
  526    H    CYS  58           H        CYS  58   5.097  -3.817   6.943
  527    HA   CYS  58           HA       CYS  58   6.096  -1.691   6.835
  528   1HB   CYS  58          2HB       CYS  58   6.124  -1.681   3.863
  529   2HB   CYS  58          1HB       CYS  58   7.435  -1.378   4.999
  530    HG   CYS  58           HG       CYS  58   7.289  -3.864   3.574
  531    QB   CYS  58           QB       CYS  58   6.780  -1.529   4.431
  532    H    ILE  59           H        ILE  59   3.096  -2.073   6.453
  533    HA   ILE  59           HA       ILE  59   2.574   0.591   5.194
  534    HB   ILE  59           HB       ILE  59   1.720  -1.450   3.913
  535   1HG1  ILE  59          2HG1      ILE  59  -0.268   0.597   4.954
  536   2HG1  ILE  59          1HG1      ILE  59   0.781   0.782   3.547
  537   1HG2  ILE  59          2HG2      ILE  59  -0.130  -1.555   6.316
  538   2HG2  ILE  59          1HG2      ILE  59  -0.350  -2.473   4.826
  539   3HG2  ILE  59          3HG2      ILE  59   1.046  -2.785   5.858
  540   1HD1  ILE  59          1HD1      ILE  59  -0.646  -1.678   3.267
  541   2HD1  ILE  59          3HD1      ILE  59  -1.809  -0.412   3.663
  542   3HD1  ILE  59          2HD1      ILE  59  -0.755  -0.234   2.260
  543    QG1  ILE  59           QG1      ILE  59   0.257   0.690   4.251
  544    QG2  ILE  59           QG2      ILE  59   0.189  -2.271   5.667
  545    QD1  ILE  59           QD1      ILE  59  -1.070  -0.775   3.063
  546    H    HIS  60           H        HIS  60   0.853   1.827   6.162
  547    HA   HIS  60           HA       HIS  60  -0.370   0.877   8.652
  548   1HB   HIS  60          2HB       HIS  60   1.320   3.368   8.846
  549   2HB   HIS  60          1HB       HIS  60   0.669   2.374  10.149
  550    HD1  HIS  60          1HD       HIS  60   3.441   2.484   7.608
  551    HD2  HIS  60          2HD       HIS  60   2.207   0.073  10.775
  552    HE1  HIS  60          1HE       HIS  60   5.344   0.877   8.067
  553    QB   HIS  60           QB       HIS  60   0.994   2.871   9.498
  554    H    TRP  61           H        TRP  61  -2.015   2.421   9.417
  555    HA   TRP  61           HA       TRP  61  -3.172   3.929   7.174
  556   1HB   TRP  61          2HB       TRP  61  -4.168   3.658  10.024
  557   2HB   TRP  61          1HB       TRP  61  -5.083   4.262   8.650
  558    HD1  TRP  61           HD       TRP  61  -3.263   1.020   9.738
  559    HE1  TRP  61          1HE       TRP  61  -4.521  -0.974   8.686
  560    HE3  TRP  61          3HE       TRP  61  -6.738   3.539   7.020
  561    HZ2  TRP  61          2HZ       TRP  61  -6.728  -1.429   6.907
  562    HZ3  TRP  61          3HZ       TRP  61  -8.412   2.320   5.650
  563    HH2  TRP  61           HH       TRP  61  -8.411  -0.160   5.591
  564    QB   TRP  61           QB       TRP  61  -4.626   3.960   9.337
  565    H    GLU  62           H        GLU  62  -4.209   6.166   7.996
  566    HA   GLU  62           HA       GLU  62  -2.309   7.668   9.691
  567   1HB   GLU  62          2HB       GLU  62  -1.219   7.946   7.589
  568   2HB   GLU  62          1HB       GLU  62  -2.749   8.178   6.741
  569   1HG   GLU  62          2HG       GLU  62  -2.682  10.393   7.133
  570   2HG   GLU  62          1HG       GLU  62  -2.512  10.115   8.867
  571    QB   GLU  62           QB       GLU  62  -1.984   8.062   7.165
  572    QG   GLU  62           QG       GLU  62  -2.597  10.254   8.000
  573    H    ASP  63           H        ASP  63  -3.791   8.498  11.105
  574    HA   ASP  63           HA       ASP  63  -6.337   9.589   9.998
  575   1HB   ASP  63          2HB       ASP  63  -6.201   7.857  11.963
  576   2HB   ASP  63          1HB       ASP  63  -5.768   9.264  12.935
  577    QB   ASP  63           QB       ASP  63  -5.985   8.560  12.449
  578    H    GLU  64           H        GLU  64  -3.935  10.406  12.538
  579    HA   GLU  64           HA       GLU  64  -4.653  13.267  12.175
  580   1HB   GLU  64          2HB       GLU  64  -4.138  11.777  14.443
  581   2HB   GLU  64          1HB       GLU  64  -2.608  12.615  14.181
  582   1HG   GLU  64          2HG       GLU  64  -4.608  14.538  13.700
  583   2HG   GLU  64          1HG       GLU  64  -5.118  13.677  15.154
  584    QB   GLU  64           QB       GLU  64  -3.373  12.196  14.312
  585    QG   GLU  64           QG       GLU  64  -4.863  14.107  14.427
   
  No H/Q in entry =         585
  Start of MODEL   18
    1    HA   ALA   1           HA       ALA   1  -8.349  11.566  11.763
    2   1HB   ALA   1          3HB       ALA   1 -10.726  12.139  10.575
    3   2HB   ALA   1          2HB       ALA   1 -10.840  10.382  10.677
    4   3HB   ALA   1          1HB       ALA   1 -10.593  11.337  12.139
    5    QB   ALA   1           QB       ALA   1 -10.720  11.286  11.131
    6    H    ARG   2           H        ARG   2  -8.723   9.744   8.775
    7    HA   ARG   2           HA       ARG   2  -7.494   7.415  10.149
    8   1HB   ARG   2          2HB       ARG   2  -9.123   5.955   8.753
    9   2HB   ARG   2          1HB       ARG   2  -9.740   6.702  10.225
   10   1HG   ARG   2          2HG       ARG   2 -11.365   7.624   8.965
   11   2HG   ARG   2          1HG       ARG   2 -10.123   8.637   8.230
   12   1HD   ARG   2          2HD       ARG   2 -10.288   7.534   6.276
   13   2HD   ARG   2          1HD       ARG   2 -10.070   5.980   7.081
   14    HE   ARG   2           HE       ARG   2 -12.703   7.319   6.660
   15   1HH1  ARG   2          1HH1      ARG   2 -11.882   5.214   8.927
   16   2HH1  ARG   2          2HH1      ARG   2 -12.678   3.819   8.278
   17   1HH2  ARG   2          1HH2      ARG   2 -13.244   5.260   5.175
   18   2HH2  ARG   2          2HH2      ARG   2 -13.451   3.846   6.154
   19    QB   ARG   2           QB       ARG   2  -9.432   6.329   9.489
   20    QG   ARG   2           QG       ARG   2 -10.744   8.131   8.597
   21    QD   ARG   2           QD       ARG   2 -10.179   6.757   6.679
   22    QH1  ARG   2           QH1      ARG   2 -12.280   4.517   8.602
   23    QH2  ARG   2           QH2      ARG   2 -13.347   4.553   5.664
   24    H    LYS   3           H        LYS   3  -5.663   8.360   8.871
   25    HA   LYS   3           HA       LYS   3  -5.860   7.858   5.945
   26   1HB   LYS   3          2HB       LYS   3  -4.624   9.873   7.405
   27   2HB   LYS   3          1HB       LYS   3  -3.283   8.814   6.962
   28   1HG   LYS   3          2HG       LYS   3  -4.721   8.916   4.620
   29   2HG   LYS   3          1HG       LYS   3  -4.948  10.545   5.257
   30   1HD   LYS   3          2HD       LYS   3  -2.453  10.669   5.604
   31   2HD   LYS   3          1HD       LYS   3  -2.315   9.135   4.745
   32   1HE   LYS   3          2HE       LYS   3  -2.964  10.059   2.709
   33   2HE   LYS   3          1HE       LYS   3  -3.844  11.382   3.475
   34   1HZ   LYS   3          3HZ       LYS   3  -0.995  11.288   4.007
   35   2HZ   LYS   3          2HZ       LYS   3  -1.424  11.646   2.404
   36   3HZ   LYS   3          1HZ       LYS   3  -1.994  12.617   3.674
   37    QB   LYS   3           QB       LYS   3  -3.954   9.344   7.184
   38    QG   LYS   3           QG       LYS   3  -4.834   9.730   4.938
   39    QD   LYS   3           QD       LYS   3  -2.384   9.902   5.174
   40    QE   LYS   3           QE       LYS   3  -3.404  10.721   3.092
   41    QZ   LYS   3           QZ       LYS   3  -1.471  11.851   3.362
   42    H    PHE   4           H        PHE   4  -3.126   7.253   5.500
   43    HA   PHE   4           HA       PHE   4  -1.902   5.302   7.028
   44   1HB   PHE   4          2HB       PHE   4  -2.741   3.187   5.879
   45   2HB   PHE   4          1HB       PHE   4  -3.872   3.920   7.014
   46    HD1  PHE   4          1HD       PHE   4  -6.040   4.494   6.306
   47    HD2  PHE   4          2HD       PHE   4  -2.939   3.914   3.389
   48    HE1  PHE   4          1HE       PHE   4  -7.710   4.720   4.484
   49    HE2  PHE   4          2HE       PHE   4  -4.608   4.141   1.570
   50    HZ   PHE   4           HZ       PHE   4  -6.994   4.542   2.116
   51    QB   PHE   4           QB       PHE   4  -3.307   3.554   6.447
   52    QD   PHE   4           QD       PHE   4  -4.490   4.204   4.848
   53    QE   PHE   4           QE       PHE   4  -6.159   4.431   3.027
   54    QR   PHE   4           QR       PHE   4  -5.658   4.362   3.573
   55    H    TYR   5           H        TYR   5  -0.712   3.602   5.450
   56    HA   TYR   5           HA       TYR   5  -0.339   4.216   2.715
   57   1HB   TYR   5          2HB       TYR   5   1.720   5.543   2.760
   58   2HB   TYR   5          1HB       TYR   5   0.433   6.420   3.579
   59    HD1  TYR   5          1HD       TYR   5   0.387   6.594   6.046
   60    HD2  TYR   5          2HD       TYR   5   3.604   4.635   3.981
   61    HE1  TYR   5          1HE       TYR   5   1.761   6.675   8.110
   62    HE2  TYR   5          2HE       TYR   5   4.978   4.716   6.041
   63    HH   TYR   5           HH       TYR   5   5.139   5.886   8.096
   64    QB   TYR   5           QB       TYR   5   1.076   5.981   3.169
   65    QD   TYR   5           QD       TYR   5   1.996   5.614   5.014
   66    QE   TYR   5           QE       TYR   5   3.370   5.696   7.076
   67    QR   TYR   5           QR       TYR   5   2.683   5.655   6.045
   68    H    VAL   6           H        VAL   6   2.249   3.690   2.259
   69    HA   VAL   6           HA       VAL   6   3.022   1.408   4.000
   70    HB   VAL   6           HB       VAL   6   3.467   0.783   1.186
   71   1HG1  VAL   6          3HG1      VAL   6   2.304  -0.479   3.640
   72   2HG1  VAL   6          2HG1      VAL   6   2.020  -1.239   2.075
   73   3HG1  VAL   6          1HG1      VAL   6   3.669  -1.004   2.655
   74   1HG2  VAL   6          1HG2      VAL   6   0.751   1.680   1.996
   75   2HG2  VAL   6          3HG2      VAL   6   1.463   1.563   0.391
   76   3HG2  VAL   6          2HG2      VAL   6   0.819   0.129   1.184
   77    QG1  VAL   6           QG1      VAL   6   2.664  -0.907   2.790
   78    QG2  VAL   6           QG2      VAL   6   1.011   1.124   1.190
   79    QQG  VAL   6           QQG      VAL   6   1.837   0.108   1.990
   80    H    ASP   7           H        ASP   7   5.342   0.942   3.834
   81    HA   ASP   7           HA       ASP   7   6.774   3.255   2.743
   82   1HB   ASP   7          2HB       ASP   7   7.116   2.726   5.153
   83   2HB   ASP   7          1HB       ASP   7   7.824   1.191   4.651
   84    QB   ASP   7           QB       ASP   7   7.470   1.958   4.902
   85    H    GLN   8           H        GLN   8   6.013   0.419   1.714
   86    HA   GLN   8           HA       GLN   8   6.959  -1.082   0.193
   87   1HB   GLN   8          2HB       GLN   8   7.544  -0.003  -1.820
   88   2HB   GLN   8          1HB       GLN   8   6.465   1.100  -0.984
   89   1HG   GLN   8          2HG       GLN   8   9.347   1.452  -0.381
   90   2HG   GLN   8          1HG       GLN   8   8.845   1.881  -2.011
   91   1HE2  GLN   8          2HE2      GLN   8   6.340   4.250  -0.480
   92   2HE2  GLN   8          1HE2      GLN   8   6.190   2.841  -1.409
   93    QB   GLN   8           QB       GLN   8   7.005   0.549  -1.402
   94    QG   GLN   8           QG       GLN   8   9.096   1.667  -1.196
   95    QE2  GLN   8           QE2      GLN   8   6.265   3.545  -0.944
   96    H    ASP   9           H        ASP   9   8.758  -0.057   2.523
   97    HA   ASP   9           HA       ASP   9  11.458  -0.269   1.451
   98   1HB   ASP   9          2HB       ASP   9  10.476   0.785   3.737
   99   2HB   ASP   9          1HB       ASP   9  10.975  -0.796   4.339
  100    QB   ASP   9           QB       ASP   9  10.726  -0.006   4.038
  101    H    GLU  10           H        GLU  10   9.413  -2.395   3.454
  102    HA   GLU  10           HA       GLU  10  11.288  -4.628   3.073
  103   1HB   GLU  10          2HB       GLU  10   9.714  -4.029   5.144
  104   2HB   GLU  10          1HB       GLU  10   8.553  -4.992   4.228
  105   1HG   GLU  10          2HG       GLU  10   9.565  -6.705   5.386
  106   2HG   GLU  10          1HG       GLU  10  10.685  -6.619   4.025
  107    QB   GLU  10           QB       GLU  10   9.134  -4.511   4.686
  108    QG   GLU  10           QG       GLU  10  10.125  -6.662   4.705
  109    H    CYS  11           H        CYS  11   9.350  -3.236   0.967
  110    HA   CYS  11           HA       CYS  11   7.565  -5.304   0.102
  111   1HB   CYS  11          1HB       CYS  11   7.216  -3.026  -0.659
  112   2HB   CYS  11          2HB       CYS  11   8.808  -2.995  -1.424
  113    QB   CYS  11           QB       CYS  11   8.012  -3.011  -1.042
  114    H    ILE  12           H        ILE  12   8.264  -7.282  -0.486
  115    HA   ILE  12           HA       ILE  12  10.931  -7.758  -1.522
  116    HB   ILE  12           HB       ILE  12  10.191 -10.086  -1.741
  117   1HG1  ILE  12          2HG1      ILE  12   7.447  -8.897  -1.224
  118   2HG1  ILE  12          1HG1      ILE  12   7.973  -9.762  -2.669
  119   1HG2  ILE  12          3HG2      ILE  12  10.682  -9.028   0.535
  120   2HG2  ILE  12          2HG2      ILE  12   8.935  -8.943   0.763
  121   3HG2  ILE  12          1HG2      ILE  12   9.722 -10.508   0.562
  122   1HD1  ILE  12          3HD1      ILE  12   8.500 -11.713  -1.027
  123   2HD1  ILE  12          2HD1      ILE  12   7.439 -10.851   0.087
  124   3HD1  ILE  12          1HD1      ILE  12   6.819 -11.416  -1.464
  125    QG1  ILE  12           QG1      ILE  12   7.710  -9.330  -1.946
  126    QG2  ILE  12           QG2      ILE  12   9.780  -9.493   0.620
  127    QD1  ILE  12           QD1      ILE  12   7.586 -11.327  -0.801
  128    H    ALA  13           H        ALA  13   9.649  -9.798  -3.505
  129    HA   ALA  13           HA       ALA  13   9.504  -7.847  -5.747
  130   1HB   ALA  13          1HB       ALA  13  10.199 -10.782  -5.595
  131   2HB   ALA  13          3HB       ALA  13   9.852  -9.988  -7.131
  132   3HB   ALA  13          2HB       ALA  13  11.212  -9.449  -6.146
  133    QB   ALA  13           QB       ALA  13  10.421 -10.073  -6.291
  134    H    CYS  14           H        CYS  14   7.207  -8.539  -3.923
  135    HA   CYS  14           HA       CYS  14   5.420  -9.790  -5.970
  136   1HB   CYS  14          1HB       CYS  14   4.613 -11.063  -4.307
  137   2HB   CYS  14          2HB       CYS  14   5.693 -10.274  -3.160
  138    QB   CYS  14           QB       CYS  14   5.153 -10.669  -3.734
  139    H    GLU  15           H        GLU  15   3.240  -8.863  -6.128
  140    HA   GLU  15           HA       GLU  15   3.061  -6.035  -5.206
  141   1HB   GLU  15          2HB       GLU  15   2.053  -5.529  -7.502
  142   2HB   GLU  15          1HB       GLU  15   3.795  -5.801  -7.467
  143   1HG   GLU  15          2HG       GLU  15   3.573  -7.521  -8.897
  144   2HG   GLU  15          1HG       GLU  15   2.485  -8.332  -7.771
  145    QB   GLU  15           QB       GLU  15   2.924  -5.665  -7.485
  146    QG   GLU  15           QG       GLU  15   3.029  -7.927  -8.334
  147    H    SER  16           H        SER  16   1.780  -8.772  -4.594
  148    HA   SER  16           HA       SER  16  -0.829  -9.074  -5.427
  149   1HB   SER  16          2HB       SER  16  -1.329 -10.052  -3.290
  150   2HB   SER  16          1HB       SER  16   0.368 -10.394  -3.613
  151    HG   SER  16           HG       SER  16  -0.686  -8.290  -2.018
  152    QB   SER  16           QB       SER  16  -0.480 -10.223  -3.452
  153    H    CYS  17           H        CYS  17   0.318  -6.706  -3.022
  154    HA   CYS  17           HA       CYS  17  -2.204  -5.564  -2.386
  155   1HB   CYS  17          1HB       CYS  17  -0.969  -3.688  -1.543
  156   2HB   CYS  17          2HB       CYS  17   0.045  -5.104  -1.267
  157    QB   CYS  17           QB       CYS  17  -0.462  -4.396  -1.405
  158    H    VAL  18           H        VAL  18   0.109  -4.800  -4.978
  159    HA   VAL  18           HA       VAL  18  -1.224  -2.556  -6.070
  160    HB   VAL  18           HB       VAL  18   0.265  -4.706  -7.607
  161   1HG1  VAL  18          2HG1      VAL  18  -1.136  -2.841  -8.783
  162   2HG1  VAL  18          1HG1      VAL  18   0.146  -1.762  -8.235
  163   3HG1  VAL  18          3HG1      VAL  18   0.526  -3.107  -9.312
  164   1HG2  VAL  18          3HG2      VAL  18   1.199  -2.319  -6.001
  165   2HG2  VAL  18          2HG2      VAL  18   1.733  -3.995  -5.868
  166   3HG2  VAL  18          1HG2      VAL  18   2.190  -3.030  -7.274
  167    QG1  VAL  18           QG1      VAL  18  -0.155  -2.570  -8.777
  168    QG2  VAL  18           QG2      VAL  18   1.707  -3.115  -6.381
  169    QQG  VAL  18           QQG      VAL  18   0.776  -2.842  -7.579
  170    H    GLU  19           H        GLU  19  -1.924  -5.993  -6.346
  171    HA   GLU  19           HA       GLU  19  -3.885  -5.571  -8.477
  172   1HB   GLU  19          2HB       GLU  19  -2.468  -7.769  -7.622
  173   2HB   GLU  19          1HB       GLU  19  -4.065  -8.074  -6.937
  174   1HG   GLU  19          2HG       GLU  19  -4.027  -7.113  -9.743
  175   2HG   GLU  19          1HG       GLU  19  -3.395  -8.739  -9.478
  176    QB   GLU  19           QB       GLU  19  -3.266  -7.922  -7.280
  177    QG   GLU  19           QG       GLU  19  -3.711  -7.926  -9.611
  178    H    ILE  20           H        ILE  20  -3.921  -6.071  -4.976
  179    HA   ILE  20           HA       ILE  20  -6.817  -6.106  -4.843
  180    HB   ILE  20           HB       ILE  20  -4.610  -5.864  -2.853
  181   1HG1  ILE  20          2HG1      ILE  20  -6.056  -7.890  -4.094
  182   2HG1  ILE  20          1HG1      ILE  20  -4.841  -8.053  -2.865
  183   1HG2  ILE  20          1HG2      ILE  20  -7.576  -5.532  -2.359
  184   2HG2  ILE  20          3HG2      ILE  20  -6.426  -5.936  -1.086
  185   3HG2  ILE  20          2HG2      ILE  20  -6.294  -4.396  -1.935
  186   1HD1  ILE  20          3HD1      ILE  20  -6.637  -7.714  -1.130
  187   2HD1  ILE  20          2HD1      ILE  20  -7.824  -7.751  -2.434
  188   3HD1  ILE  20          1HD1      ILE  20  -6.849  -9.179  -2.089
  189    QG1  ILE  20           QG1      ILE  20  -5.448  -7.972  -3.479
  190    QG2  ILE  20           QG2      ILE  20  -6.766  -5.288  -1.793
  191    QD1  ILE  20           QD1      ILE  20  -7.103  -8.214  -1.884
  192    H    ALA  21           H        ALA  21  -4.763  -3.719  -5.777
  193    HA   ALA  21           HA       ALA  21  -6.726  -1.626  -5.234
  194   1HB   ALA  21          1HB       ALA  21  -4.173  -1.818  -3.691
  195   2HB   ALA  21          3HB       ALA  21  -4.698  -0.219  -4.216
  196   3HB   ALA  21          2HB       ALA  21  -5.742  -1.198  -3.186
  197    QB   ALA  21           QB       ALA  21  -4.871  -1.079  -3.698
  198    HA   PRO  22           HA       PRO  22  -4.062  -1.277  -9.016
  199   1HB   PRO  22          2HB       PRO  22  -6.114  -1.151 -10.794
  200   2HB   PRO  22          1HB       PRO  22  -5.388  -2.669 -10.266
  201   1HG   PRO  22          2HG       PRO  22  -7.925  -1.378  -9.349
  202   2HG   PRO  22          1HG       PRO  22  -7.581  -3.094  -9.628
  203   1HD   PRO  22          2HD       PRO  22  -7.643  -1.968  -7.144
  204   2HD   PRO  22          1HD       PRO  22  -6.643  -3.380  -7.552
  205    QB   PRO  22           QB       PRO  22  -5.751  -1.910 -10.530
  206    QG   PRO  22           QG       PRO  22  -7.753  -2.236  -9.489
  207    QD   PRO  22           QD       PRO  22  -7.143  -2.674  -7.348
  208    H    GLY  23           H        GLY  23  -4.015   0.834  -7.576
  209   1HA   GLY  23          2HA       GLY  23  -4.310   3.107  -9.140
  210   2HA   GLY  23          1HA       GLY  23  -5.851   2.968  -8.287
  211    QA   GLY  23           QA       GLY  23  -5.081   3.037  -8.713
  212    H    ALA  24           H        ALA  24  -4.748   1.783  -5.897
  213    HA   ALA  24           HA       ALA  24  -3.650   4.240  -4.667
  214   1HB   ALA  24          3HB       ALA  24  -4.596   1.629  -3.446
  215   2HB   ALA  24          2HB       ALA  24  -4.071   3.042  -2.530
  216   3HB   ALA  24          1HB       ALA  24  -5.520   3.128  -3.532
  217    QB   ALA  24           QB       ALA  24  -4.729   2.600  -3.169
  218    H    PHE  25           H        PHE  25  -2.852   0.773  -4.935
  219    HA   PHE  25           HA       PHE  25  -0.093   1.392  -3.993
  220   1HB   PHE  25          2HB       PHE  25  -1.855  -0.769  -3.541
  221   2HB   PHE  25          1HB       PHE  25  -0.610  -1.405  -4.613
  222    HD1  PHE  25          1HD       PHE  25  -1.284  -1.804  -1.488
  223    HD2  PHE  25          2HD       PHE  25   1.713   0.318  -3.716
  224    HE1  PHE  25          1HE       PHE  25   0.275  -1.999   0.428
  225    HE2  PHE  25          2HE       PHE  25   3.267   0.121  -1.789
  226    HZ   PHE  25           HZ       PHE  25   2.555  -1.032   0.275
  227    QB   PHE  25           QB       PHE  25  -1.232  -1.087  -4.077
  228    QD   PHE  25           QD       PHE  25   0.214  -0.743  -2.602
  229    QE   PHE  25           QE       PHE  25   1.771  -0.939  -0.681
  230    QR   PHE  25           QR       PHE  25   1.305  -0.879  -1.258
  231    H    ALA  26           H        ALA  26   1.654   1.156  -5.400
  232    HA   ALA  26           HA       ALA  26   1.487  -0.303  -7.891
  233   1HB   ALA  26          3HB       ALA  26   1.041   2.666  -7.891
  234   2HB   ALA  26          2HB       ALA  26   1.904   1.921  -9.236
  235   3HB   ALA  26          1HB       ALA  26   0.254   1.422  -8.861
  236    QB   ALA  26           QB       ALA  26   1.066   2.003  -8.663
  237    H    MET  27           H        MET  27   3.551  -0.967  -8.223
  238    HA   MET  27           HA       MET  27   5.768   0.035  -6.743
  239   1HB   MET  27          2HB       MET  27   7.130  -1.228  -8.516
  240   2HB   MET  27          1HB       MET  27   5.960  -2.182  -7.603
  241   1HG   MET  27          2HG       MET  27   4.670  -0.983  -9.888
  242   2HG   MET  27          1HG       MET  27   6.097  -1.880 -10.409
  243   1HE   MET  27          1HE       MET  27   6.796  -3.871  -9.603
  244   2HE   MET  27          3HE       MET  27   5.861  -5.220  -8.942
  245   3HE   MET  27          2HE       MET  27   5.794  -4.857 -10.664
  246    QB   MET  27           QB       MET  27   6.545  -1.705  -8.059
  247    QG   MET  27           QG       MET  27   5.383  -1.432 -10.149
  248    QE   MET  27           QE       MET  27   6.150  -4.649  -9.736
  249    H    ASP  28           H        ASP  28   7.611   1.366  -7.492
  250    HA   ASP  28           HA       ASP  28   6.902   2.939  -9.938
  251   1HB   ASP  28          2HB       ASP  28   6.680   3.930  -7.418
  252   2HB   ASP  28          1HB       ASP  28   8.376   4.285  -7.736
  253    QB   ASP  28           QB       ASP  28   7.528   4.108  -7.577
  254    HA   PRO  29           HA       PRO  29  11.087   2.002 -10.894
  255   1HB   PRO  29          2HB       PRO  29  11.668   3.970 -12.673
  256   2HB   PRO  29          1HB       PRO  29  10.583   2.634 -13.049
  257   1HG   PRO  29          2HG       PRO  29   9.934   5.457 -12.513
  258   2HG   PRO  29          1HG       PRO  29   8.995   4.236 -13.382
  259   1HD   PRO  29          2HD       PRO  29   8.605   5.155 -10.715
  260   2HD   PRO  29          1HD       PRO  29   7.728   3.865 -11.546
  261    QB   PRO  29           QB       PRO  29  11.125   3.302 -12.861
  262    QG   PRO  29           QG       PRO  29   9.465   4.846 -12.947
  263    QD   PRO  29           QD       PRO  29   8.166   4.510 -11.131
  264    H    GLU  30           H        GLU  30  10.154   4.963  -9.489
  265    HA   GLU  30           HA       GLU  30  12.937   5.844  -8.940
  266   1HB   GLU  30          2HB       GLU  30  10.512   7.221  -9.266
  267   2HB   GLU  30          1HB       GLU  30  10.833   7.299  -7.534
  268   1HG   GLU  30          2HG       GLU  30  13.071   8.189  -7.954
  269   2HG   GLU  30          1HG       GLU  30  12.829   8.035  -9.694
  270    QB   GLU  30           QB       GLU  30  10.672   7.260  -8.400
  271    QG   GLU  30           QG       GLU  30  12.950   8.112  -8.824
  272    H    ILE  31           H        ILE  31  10.187   4.272  -7.558
  273    HA   ILE  31           HA       ILE  31  11.594   4.000  -4.965
  274    HB   ILE  31           HB       ILE  31   9.572   3.938  -3.849
  275   1HG1  ILE  31          2HG1      ILE  31   8.428   2.919  -6.460
  276   2HG1  ILE  31          1HG1      ILE  31   8.539   2.070  -4.921
  277   1HG2  ILE  31          3HG2      ILE  31   9.903   5.973  -5.669
  278   2HG2  ILE  31          2HG2      ILE  31   8.277   5.404  -6.050
  279   3HG2  ILE  31          1HG2      ILE  31   8.664   5.938  -4.414
  280   1HD1  ILE  31          1HD1      ILE  31   7.032   3.896  -3.962
  281   2HD1  ILE  31          3HD1      ILE  31   6.735   4.388  -5.628
  282   3HD1  ILE  31          2HD1      ILE  31   6.267   2.776  -5.087
  283    QG1  ILE  31           QG1      ILE  31   8.484   2.494  -5.690
  284    QG2  ILE  31           QG2      ILE  31   8.948   5.772  -5.378
  285    QD1  ILE  31           QD1      ILE  31   6.678   3.687  -4.892
  286    H    GLU  32           H        GLU  32  11.230   2.509  -7.787
  287    HA   GLU  32           HA       GLU  32  10.898   0.260  -8.469
  288   1HB   GLU  32          2HB       GLU  32  13.357   0.688  -6.870
  289   2HB   GLU  32          1HB       GLU  32  12.921  -0.998  -7.152
  290   1HG   GLU  32          2HG       GLU  32  12.769   0.853  -9.483
  291   2HG   GLU  32          1HG       GLU  32  14.377   0.399  -8.917
  292    QB   GLU  32           QB       GLU  32  13.139  -0.155  -7.011
  293    QG   GLU  32           QG       GLU  32  13.573   0.626  -9.200
  294    H    LYS  33           H        LYS  33   9.013   0.711  -6.513
  295    HA   LYS  33           HA       LYS  33   8.602  -1.978  -5.510
  296   1HB   LYS  33          2HB       LYS  33   9.813   0.052  -3.688
  297   2HB   LYS  33          1HB       LYS  33   8.561  -0.997  -3.025
  298   1HG   LYS  33          2HG       LYS  33  10.106  -2.611  -2.787
  299   2HG   LYS  33          1HG       LYS  33  10.248  -2.677  -4.543
  300   1HD   LYS  33          2HD       LYS  33  12.438  -2.168  -3.999
  301   2HD   LYS  33          1HD       LYS  33  11.784  -0.535  -4.137
  302   1HE   LYS  33          2HE       LYS  33  11.838  -0.173  -1.870
  303   2HE   LYS  33          1HE       LYS  33  11.516  -1.863  -1.487
  304   1HZ   LYS  33          2HZ       LYS  33  14.030  -1.427  -2.820
  305   2HZ   LYS  33          1HZ       LYS  33  13.925  -0.667  -1.305
  306   3HZ   LYS  33          3HZ       LYS  33  13.681  -2.340  -1.431
  307    QB   LYS  33           QB       LYS  33   9.187  -0.472  -3.356
  308    QG   LYS  33           QG       LYS  33  10.177  -2.644  -3.665
  309    QD   LYS  33           QD       LYS  33  12.111  -1.352  -4.068
  310    QE   LYS  33           QE       LYS  33  11.677  -1.018  -1.679
  311    QZ   LYS  33           QZ       LYS  33  13.879  -1.478  -1.852
  312    H    ALA  34           H        ALA  34   6.499  -2.244  -4.658
  313    HA   ALA  34           HA       ALA  34   4.488  -0.484  -5.580
  314   1HB   ALA  34          1HB       ALA  34   4.587  -2.979  -4.313
  315   2HB   ALA  34          3HB       ALA  34   3.647  -1.959  -3.224
  316   3HB   ALA  34          2HB       ALA  34   3.141  -2.157  -4.903
  317    QB   ALA  34           QB       ALA  34   3.792  -2.365  -4.147
  318    H    TYR  35           H        TYR  35   3.288   1.140  -4.572
  319    HA   TYR  35           HA       TYR  35   3.863   1.824  -1.764
  320   1HB   TYR  35          2HB       TYR  35   4.687   3.994  -2.117
  321   2HB   TYR  35          1HB       TYR  35   5.568   3.000  -3.263
  322    HD1  TYR  35          1HD       TYR  35   3.089   2.741  -5.212
  323    HD2  TYR  35          2HD       TYR  35   5.055   6.051  -3.326
  324    HE1  TYR  35          1HE       TYR  35   2.364   4.213  -7.060
  325    HE2  TYR  35          2HE       TYR  35   4.320   7.534  -5.170
  326    HH   TYR  35           HH       TYR  35   3.325   7.643  -7.150
  327    QB   TYR  35           QB       TYR  35   5.127   3.497  -2.690
  328    QD   TYR  35           QD       TYR  35   4.072   4.396  -4.269
  329    QE   TYR  35           QE       TYR  35   3.342   5.874  -6.115
  330    QR   TYR  35           QR       TYR  35   3.707   5.135  -5.192
  331    H    VAL  36           H        VAL  36   2.162   2.862  -0.765
  332    HA   VAL  36           HA       VAL  36  -0.338   2.993  -2.327
  333    HB   VAL  36           HB       VAL  36   0.373   3.058   0.596
  334   1HG1  VAL  36          2HG1      VAL  36  -1.907   4.447  -0.681
  335   2HG1  VAL  36          1HG1      VAL  36  -2.334   3.381   0.657
  336   3HG1  VAL  36          3HG1      VAL  36  -1.185   4.695   0.909
  337   1HG2  VAL  36          3HG2      VAL  36  -1.628   1.536  -1.103
  338   2HG2  VAL  36          2HG2      VAL  36  -0.105   0.911  -0.475
  339   3HG2  VAL  36          1HG2      VAL  36  -1.416   1.315   0.634
  340    QG1  VAL  36           QG1      VAL  36  -1.809   4.174   0.295
  341    QG2  VAL  36           QG2      VAL  36  -1.050   1.254  -0.314
  342    QQG  VAL  36           QQG      VAL  36  -1.429   2.714  -0.010
  343    H    LYS  37           H        LYS  37   0.054   4.829  -3.640
  344    HA   LYS  37           HA       LYS  37   0.565   7.395  -2.210
  345   1HB   LYS  37          2HB       LYS  37   1.079   8.319  -4.405
  346   2HB   LYS  37          1HB       LYS  37   1.976   6.818  -4.179
  347   1HG   LYS  37          2HG       LYS  37   0.961   5.874  -5.953
  348   2HG   LYS  37          1HG       LYS  37  -0.632   6.263  -5.302
  349   1HD   LYS  37          2HD       LYS  37  -0.484   8.529  -6.226
  350   2HD   LYS  37          1HD       LYS  37   1.140   8.195  -6.828
  351   1HE   LYS  37          2HE       LYS  37  -0.209   6.103  -7.914
  352   2HE   LYS  37          1HE       LYS  37  -1.485   7.321  -7.894
  353   1HZ   LYS  37          2HZ       LYS  37   1.190   8.051  -8.869
  354   2HZ   LYS  37          1HZ       LYS  37   0.146   7.180  -9.889
  355   3HZ   LYS  37          3HZ       LYS  37  -0.325   8.696  -9.291
  356    QB   LYS  37           QB       LYS  37   1.528   7.568  -4.292
  357    QG   LYS  37           QG       LYS  37   0.165   6.069  -5.627
  358    QD   LYS  37           QD       LYS  37   0.328   8.362  -6.527
  359    QE   LYS  37           QE       LYS  37  -0.847   6.712  -7.904
  360    QZ   LYS  37           QZ       LYS  37   0.337   7.976  -9.350
  361    H    ASP  38           H        ASP  38  -2.053   5.620  -3.397
  362    HA   ASP  38           HA       ASP  38  -3.699   8.103  -3.375
  363   1HB   ASP  38          2HB       ASP  38  -3.304   7.550  -5.731
  364   2HB   ASP  38          1HB       ASP  38  -3.867   5.903  -5.454
  365    QB   ASP  38           QB       ASP  38  -3.585   6.726  -5.592
  366    H    VAL  39           H        VAL  39  -4.556   7.544  -1.335
  367    HA   VAL  39           HA       VAL  39  -5.497   4.972  -0.576
  368    HB   VAL  39           HB       VAL  39  -6.773   6.134   1.150
  369   1HG1  VAL  39          2HG1      VAL  39  -4.072   6.268   0.847
  370   2HG1  VAL  39          1HG1      VAL  39  -4.466   7.985   0.948
  371   3HG1  VAL  39          3HG1      VAL  39  -4.926   6.895   2.258
  372   1HG2  VAL  39          1HG2      VAL  39  -6.557   8.360  -0.822
  373   2HG2  VAL  39          3HG2      VAL  39  -7.896   7.928   0.242
  374   3HG2  VAL  39          2HG2      VAL  39  -6.503   8.799   0.887
  375    QG1  VAL  39           QG1      VAL  39  -4.488   7.049   1.351
  376    QG2  VAL  39           QG2      VAL  39  -6.985   8.362   0.102
  377    QQG  VAL  39           QQG      VAL  39  -5.737   7.706   0.727
  378    H    GLU  40           H        GLU  40  -6.929   7.493  -2.544
  379    HA   GLU  40           HA       GLU  40  -9.606   6.345  -2.531
  380   1HB   GLU  40          2HB       GLU  40  -8.207   8.575  -3.921
  381   2HB   GLU  40          1HB       GLU  40  -9.603   7.884  -4.746
  382   1HG   GLU  40          2HG       GLU  40 -10.362   8.135  -2.040
  383   2HG   GLU  40          1HG       GLU  40  -9.542   9.642  -2.449
  384    QB   GLU  40           QB       GLU  40  -8.905   8.230  -4.333
  385    QG   GLU  40           QG       GLU  40  -9.952   8.889  -2.245
  386    H    GLY  41           H        GLY  41  -6.658   5.670  -4.174
  387   1HA   GLY  41          2HA       GLY  41  -7.771   4.565  -6.599
  388   2HA   GLY  41          1HA       GLY  41  -6.154   4.239  -5.973
  389    QA   GLY  41           QA       GLY  41  -6.963   4.402  -6.286
  390    H    ALA  42           H        ALA  42  -7.928   3.542  -3.392
  391    HA   ALA  42           HA       ALA  42  -9.013   0.941  -4.228
  392   1HB   ALA  42          3HB       ALA  42  -6.395   0.859  -3.741
  393   2HB   ALA  42          2HB       ALA  42  -6.950   0.803  -2.067
  394   3HB   ALA  42          1HB       ALA  42  -7.461  -0.440  -3.209
  395    QB   ALA  42           QB       ALA  42  -6.935   0.407  -3.005
  396    H    SER  43           H        SER  43 -10.875   0.801  -3.088
  397    HA   SER  43           HA       SER  43 -11.694   2.480  -1.016
  398   1HB   SER  43          2HB       SER  43 -12.776  -0.170  -0.597
  399   2HB   SER  43          1HB       SER  43 -13.584   1.275  -1.199
  400    HG   SER  43           HG       SER  43 -13.108  -0.809  -2.579
  401    QB   SER  43           QB       SER  43 -13.180   0.552  -0.898
  402    H    GLN  44           H        GLN  44 -12.252   1.587   1.299
  403    HA   GLN  44           HA       GLN  44  -9.754   1.116   2.650
  404   1HB   GLN  44          2HB       GLN  44 -11.639   2.324   3.704
  405   2HB   GLN  44          1HB       GLN  44 -12.592   0.840   3.690
  406   1HG   GLN  44          2HG       GLN  44  -9.965   0.421   4.881
  407   2HG   GLN  44          1HG       GLN  44 -10.876   1.673   5.729
  408   1HE2  GLN  44          2HE2      GLN  44 -11.785  -1.961   6.749
  409   2HE2  GLN  44          1HE2      GLN  44 -10.262  -1.334   6.337
  410    QB   GLN  44           QB       GLN  44 -12.115   1.582   3.697
  411    QG   GLN  44           QG       GLN  44 -10.420   1.047   5.305
  412    QE2  GLN  44           QE2      GLN  44 -11.024  -1.647   6.543
  413    H    GLU  45           H        GLU  45 -12.539  -0.983   1.887
  414    HA   GLU  45           HA       GLU  45 -11.483  -3.301   3.231
  415   1HB   GLU  45          2HB       GLU  45 -13.325  -3.277   0.822
  416   2HB   GLU  45          1HB       GLU  45 -13.172  -4.549   2.036
  417   1HG   GLU  45          2HG       GLU  45 -14.086  -1.722   2.641
  418   2HG   GLU  45          1HG       GLU  45 -15.176  -3.086   2.389
  419    QB   GLU  45           QB       GLU  45 -13.248  -3.913   1.429
  420    QG   GLU  45           QG       GLU  45 -14.631  -2.404   2.515
  421    H    GLU  46           H        GLU  46 -10.563  -1.667   0.394
  422    HA   GLU  46           HA       GLU  46  -9.276  -4.074  -0.795
  423   1HB   GLU  46          2HB       GLU  46  -9.275  -1.206  -1.790
  424   2HB   GLU  46          1HB       GLU  46  -8.818  -2.644  -2.697
  425   1HG   GLU  46          2HG       GLU  46 -11.239  -3.456  -2.165
  426   2HG   GLU  46          1HG       GLU  46 -11.553  -1.754  -1.828
  427    QB   GLU  46           QB       GLU  46  -9.046  -1.925  -2.244
  428    QG   GLU  46           QG       GLU  46 -11.396  -2.605  -1.996
  429    H    VAL  47           H        VAL  47  -8.642  -0.891   0.493
  430    HA   VAL  47           HA       VAL  47  -5.810  -0.887   0.355
  431    HB   VAL  47           HB       VAL  47  -7.742   0.376   2.322
  432   1HG1  VAL  47          2HG1      VAL  47  -5.441   0.011   3.254
  433   2HG1  VAL  47          1HG1      VAL  47  -4.814   1.005   1.938
  434   3HG1  VAL  47          3HG1      VAL  47  -5.912   1.708   3.126
  435   1HG2  VAL  47          1HG2      VAL  47  -7.473   0.966  -0.273
  436   2HG2  VAL  47          3HG2      VAL  47  -7.714   2.227   0.935
  437   3HG2  VAL  47          2HG2      VAL  47  -6.093   1.881   0.333
  438    QG1  VAL  47           QG1      VAL  47  -5.389   0.908   2.773
  439    QG2  VAL  47           QG2      VAL  47  -7.093   1.691   0.331
  440    QQG  VAL  47           QQG      VAL  47  -6.241   1.300   1.552
  441    H    GLU  48           H        GLU  48  -8.001  -1.847   3.016
  442    HA   GLU  48           HA       GLU  48  -5.996  -2.860   4.740
  443   1HB   GLU  48          2HB       GLU  48  -8.820  -2.522   4.616
  444   2HB   GLU  48          1HB       GLU  48  -8.498  -4.190   5.045
  445   1HG   GLU  48          2HG       GLU  48  -6.668  -2.858   6.583
  446   2HG   GLU  48          1HG       GLU  48  -8.022  -1.730   6.568
  447    QB   GLU  48           QB       GLU  48  -8.659  -3.356   4.830
  448    QG   GLU  48           QG       GLU  48  -7.345  -2.294   6.575
  449    H    GLU  49           H        GLU  49  -8.285  -4.536   2.536
  450    HA   GLU  49           HA       GLU  49  -7.441  -7.165   2.921
  451   1HB   GLU  49          2HB       GLU  49  -8.524  -5.675   0.564
  452   2HB   GLU  49          1HB       GLU  49  -7.882  -7.296   0.295
  453   1HG   GLU  49          2HG       GLU  49  -9.344  -8.115   2.168
  454   2HG   GLU  49          1HG       GLU  49 -10.072  -6.510   2.238
  455    QB   GLU  49           QB       GLU  49  -8.203  -6.485   0.430
  456    QG   GLU  49           QG       GLU  49  -9.708  -7.312   2.203
  457    H    ALA  50           H        ALA  50  -6.018  -4.783   0.659
  458    HA   ALA  50           HA       ALA  50  -3.906  -6.524  -0.223
  459   1HB   ALA  50          1HB       ALA  50  -4.070  -3.495  -0.143
  460   2HB   ALA  50          3HB       ALA  50  -2.801  -4.402  -0.966
  461   3HB   ALA  50          2HB       ALA  50  -4.472  -4.532  -1.511
  462    QB   ALA  50           QB       ALA  50  -3.781  -4.143  -0.873
  463    H    MET  51           H        MET  51  -4.382  -4.599   2.630
  464    HA   MET  51           HA       MET  51  -1.571  -4.480   3.379
  465   1HB   MET  51          2HB       MET  51  -3.529  -2.959   4.175
  466   2HB   MET  51          1HB       MET  51  -3.863  -4.257   5.322
  467   1HG   MET  51          2HG       MET  51  -1.408  -4.123   5.995
  468   2HG   MET  51          1HG       MET  51  -1.326  -2.631   5.057
  469   1HE   MET  51          2HE       MET  51  -2.552  -0.769   5.235
  470   2HE   MET  51          1HE       MET  51  -4.218  -1.043   5.736
  471   3HE   MET  51          3HE       MET  51  -3.150  -0.036   6.722
  472    QB   MET  51           QB       MET  51  -3.696  -3.608   4.749
  473    QG   MET  51           QG       MET  51  -1.367  -3.377   5.526
  474    QE   MET  51           QE       MET  51  -3.307  -0.616   5.898
  475    H    ASP  52           H        ASP  52  -3.986  -6.902   3.476
  476    HA   ASP  52           HA       ASP  52  -2.621  -8.355   5.682
  477   1HB   ASP  52          2HB       ASP  52  -5.072  -8.280   5.769
  478   2HB   ASP  52          1HB       ASP  52  -5.166  -8.983   4.154
  479    QB   ASP  52           QB       ASP  52  -5.119  -8.631   4.961
  480    H    THR  53           H        THR  53  -3.006  -8.370   2.210
  481    HA   THR  53           HA       THR  53  -2.103 -11.105   1.835
  482    HB   THR  53           HB       THR  53  -1.599  -9.291  -0.403
  483    HG1  THR  53          1HG       THR  53  -4.254  -9.504   0.550
  484   1HG2  THR  53          2HG2      THR  53  -2.685 -11.917   0.178
  485   2HG2  THR  53          1HG2      THR  53  -3.716 -11.043  -0.955
  486   3HG2  THR  53          3HG2      THR  53  -2.013 -11.298  -1.331
  487    QG2  THR  53           QG2      THR  53  -2.805 -11.419  -0.702
  488    H    CYS  54           H        CYS  54  -0.512  -8.100   2.468
  489    HA   CYS  54           HA       CYS  54   2.019  -8.743   1.226
  490   1HB   CYS  54          1HB       CYS  54   1.193  -6.430   2.047
  491   2HB   CYS  54          2HB       CYS  54   1.703  -6.965   3.646
  492    QB   CYS  54           QB       CYS  54   1.448  -6.698   2.847
  493    HA   PRO  55           HA       PRO  55   3.508 -11.615   4.197
  494   1HB   PRO  55          2HB       PRO  55   6.173 -11.429   3.688
  495   2HB   PRO  55          1HB       PRO  55   5.047 -12.270   2.622
  496   1HG   PRO  55          2HG       PRO  55   6.241  -9.552   2.324
  497   2HG   PRO  55          1HG       PRO  55   5.859 -10.751   1.079
  498   1HD   PRO  55          2HD       PRO  55   4.315  -8.540   1.616
  499   2HD   PRO  55          1HD       PRO  55   3.701 -10.030   0.871
  500    QB   PRO  55           QB       PRO  55   5.610 -11.850   3.155
  501    QG   PRO  55           QG       PRO  55   6.050 -10.151   1.702
  502    QD   PRO  55           QD       PRO  55   4.008  -9.285   1.243
  503    H    VAL  56           H        VAL  56   6.302  -9.458   4.169
  504    HA   VAL  56           HA       VAL  56   6.432  -9.199   6.990
  505    HB   VAL  56           HB       VAL  56   7.901  -7.229   6.537
  506   1HG1  VAL  56          3HG1      VAL  56   8.189  -9.887   5.258
  507   2HG1  VAL  56          2HG1      VAL  56   9.275  -8.636   4.651
  508   3HG1  VAL  56          1HG1      VAL  56   9.274  -9.046   6.366
  509   1HG2  VAL  56          3HG2      VAL  56   6.673  -7.582   3.816
  510   2HG2  VAL  56          2HG2      VAL  56   6.967  -6.095   4.719
  511   3HG2  VAL  56          1HG2      VAL  56   8.310  -6.941   3.950
  512    QG1  VAL  56           QG1      VAL  56   8.913  -9.189   5.425
  513    QG2  VAL  56           QG2      VAL  56   7.317  -6.873   4.162
  514    QQG  VAL  56           QQG      VAL  56   8.115  -8.031   4.793
  515    H    GLN  57           H        GLN  57   4.644  -7.421   4.556
  516    HA   GLN  57           HA       GLN  57   2.838  -5.946   4.782
  517   1HB   GLN  57          2HB       GLN  57   2.650  -7.584   6.980
  518   2HB   GLN  57          1HB       GLN  57   2.757  -5.990   7.725
  519   1HG   GLN  57          2HG       GLN  57   0.877  -5.183   6.449
  520   2HG   GLN  57          1HG       GLN  57   0.848  -6.649   5.469
  521   1HE2  GLN  57          2HE2      GLN  57  -1.044  -8.481   7.819
  522   2HE2  GLN  57          1HE2      GLN  57  -0.298  -8.458   6.296
  523    QB   GLN  57           QB       GLN  57   2.704  -6.787   7.353
  524    QG   GLN  57           QG       GLN  57   0.863  -5.916   5.959
  525    QE2  GLN  57           QE2      GLN  57  -0.671  -8.469   7.058
  526    H    CYS  58           H        CYS  58   5.240  -4.713   4.474
  527    HA   CYS  58           HA       CYS  58   5.931  -2.897   6.609
  528   1HB   CYS  58          2HB       CYS  58   7.125  -3.585   4.265
  529   2HB   CYS  58          1HB       CYS  58   6.422  -2.033   3.814
  530    HG   CYS  58           HG       CYS  58   8.196  -0.923   5.125
  531    QB   CYS  58           QB       CYS  58   6.774  -2.809   4.039
  532    H    ILE  59           H        ILE  59   3.420  -2.501   6.901
  533    HA   ILE  59           HA       ILE  59   2.761  -0.009   5.386
  534    HB   ILE  59           HB       ILE  59   1.376  -1.844   4.518
  535   1HG1  ILE  59          2HG1      ILE  59  -0.796  -0.728   6.006
  536   2HG1  ILE  59          1HG1      ILE  59   0.395   0.548   5.761
  537   1HG2  ILE  59          3HG2      ILE  59   1.578  -2.901   7.017
  538   2HG2  ILE  59          2HG2      ILE  59  -0.047  -2.219   7.089
  539   3HG2  ILE  59          1HG2      ILE  59   0.360  -3.399   5.843
  540   1HD1  ILE  59          3HD1      ILE  59  -0.470  -1.249   3.497
  541   2HD1  ILE  59          2HD1      ILE  59  -1.369   0.212   3.908
  542   3HD1  ILE  59          1HD1      ILE  59   0.318   0.327   3.405
  543    QG1  ILE  59           QG1      ILE  59  -0.201  -0.090   5.883
  544    QG2  ILE  59           QG2      ILE  59   0.630  -2.840   6.650
  545    QD1  ILE  59           QD1      ILE  59  -0.507  -0.237   3.603
  546    H    HIS  60           H        HIS  60   1.667   1.596   6.600
  547    HA   HIS  60           HA       HIS  60   1.023   1.030   9.430
  548   1HB   HIS  60          2HB       HIS  60   2.753   3.417   8.872
  549   2HB   HIS  60          1HB       HIS  60   2.543   2.518  10.375
  550    HD1  HIS  60          1HD       HIS  60   3.963   1.900   6.881
  551    HD2  HIS  60          2HD       HIS  60   4.590   0.727  10.831
  552    HE1  HIS  60          1HE       HIS  60   6.004   0.400   6.869
  553    QB   HIS  60           QB       HIS  60   2.648   2.967   9.624
  554    H    TRP  61           H        TRP  61  -0.817   2.126   9.958
  555    HA   TRP  61           HA       TRP  61  -2.121   3.837   8.033
  556   1HB   TRP  61          2HB       TRP  61  -2.702   3.238  10.943
  557   2HB   TRP  61          1HB       TRP  61  -3.734   4.248   9.938
  558    HD1  TRP  61           HD       TRP  61  -2.247   0.669   9.915
  559    HE1  TRP  61          1HE       TRP  61  -3.911  -0.866   8.675
  560    HE3  TRP  61          3HE       TRP  61  -5.700   4.115   8.514
  561    HZ2  TRP  61          2HZ       TRP  61  -6.403  -0.642   7.260
  562    HZ3  TRP  61          3HZ       TRP  61  -7.717   3.451   7.221
  563    HH2  TRP  61           HH       TRP  61  -8.071   1.075   6.597
  564    QB   TRP  61           QB       TRP  61  -3.218   3.743  10.441
  565    H    GLU  62           H        GLU  62  -2.736   6.123   8.471
  566    HA   GLU  62           HA       GLU  62  -0.690   7.547  10.120
  567   1HB   GLU  62          2HB       GLU  62   0.061   7.863   7.887
  568   2HB   GLU  62          1HB       GLU  62  -1.579   8.091   7.283
  569   1HG   GLU  62          2HG       GLU  62  -1.753  10.249   8.229
  570   2HG   GLU  62          1HG       GLU  62  -0.393   9.976   9.318
  571    QB   GLU  62           QB       GLU  62  -0.759   7.977   7.585
  572    QG   GLU  62           QG       GLU  62  -1.073  10.112   8.773
  573    H    ASP  63           H        ASP  63  -1.707   8.719  11.658
  574    HA   ASP  63           HA       ASP  63  -4.469   9.709  11.076
  575   1HB   ASP  63          2HB       ASP  63  -3.123   8.787  13.609
  576   2HB   ASP  63          1HB       ASP  63  -4.500   9.889  13.684
  577    QB   ASP  63           QB       ASP  63  -3.812   9.338  13.646
  578    H    GLU  64           H        GLU  64  -1.911  11.034  10.362
  579    HA   GLU  64           HA       GLU  64  -2.431  13.595  11.784
  580   1HB   GLU  64          2HB       GLU  64  -0.074  13.995  12.164
  581   2HB   GLU  64          1HB       GLU  64  -0.471  12.422  12.856
  582   1HG   GLU  64          2HG       GLU  64   0.211  12.014  10.116
  583   2HG   GLU  64          1HG       GLU  64   1.464  13.024  10.836
  584    QB   GLU  64           QB       GLU  64  -0.273  13.209  12.510
  585    QG   GLU  64           QG       GLU  64   0.837  12.519  10.476
   
  No H/Q in entry =         585
  Start of MODEL   19
    1    HA   ALA   1           HA       ALA   1  -8.379  11.332  10.637
    2   1HB   ALA   1          1HB       ALA   1  -6.757  12.583  12.331
    3   2HB   ALA   1          3HB       ALA   1  -5.706  11.212  11.980
    4   3HB   ALA   1          2HB       ALA   1  -6.255  12.260  10.672
    5    QB   ALA   1           QB       ALA   1  -6.240  12.018  11.661
    6    H    ARG   2           H        ARG   2  -9.106   8.751  11.396
    7    HA   ARG   2           HA       ARG   2  -7.018   6.820  11.363
    8   1HB   ARG   2          2HB       ARG   2  -9.890   6.689  10.410
    9   2HB   ARG   2          1HB       ARG   2  -8.824   5.284  10.441
   10   1HG   ARG   2          2HG       ARG   2  -8.474   5.575  12.853
   11   2HG   ARG   2          1HG       ARG   2  -9.494   7.013  12.839
   12   1HD   ARG   2          2HD       ARG   2 -10.857   4.776  11.593
   13   2HD   ARG   2          1HD       ARG   2 -10.340   4.364  13.229
   14    HE   ARG   2           HE       ARG   2 -11.473   6.759  13.695
   15   1HH1  ARG   2          1HH1      ARG   2 -12.685   3.746  13.173
   16   2HH1  ARG   2          2HH1      ARG   2 -14.268   4.241  12.674
   17   1HH2  ARG   2          1HH2      ARG   2 -13.421   7.594  12.403
   18   2HH2  ARG   2          2HH2      ARG   2 -14.685   6.420  12.237
   19    QB   ARG   2           QB       ARG   2  -9.357   5.987  10.425
   20    QG   ARG   2           QG       ARG   2  -8.984   6.294  12.846
   21    QD   ARG   2           QD       ARG   2 -10.598   4.570  12.411
   22    QH1  ARG   2           QH1      ARG   2 -13.476   3.993  12.923
   23    QH2  ARG   2           QH2      ARG   2 -14.053   7.007  12.320
   24    H    LYS   3           H        LYS   3  -5.444   6.995   9.800
   25    HA   LYS   3           HA       LYS   3  -6.380   6.962   6.960
   26   1HB   LYS   3          2HB       LYS   3  -5.104   9.081   8.011
   27   2HB   LYS   3          1HB       LYS   3  -3.701   8.099   7.591
   28   1HG   LYS   3          2HG       LYS   3  -3.991   8.442   5.374
   29   2HG   LYS   3          1HG       LYS   3  -5.727   8.147   5.476
   30   1HD   LYS   3          2HD       LYS   3  -4.682  10.690   6.645
   31   2HD   LYS   3          1HD       LYS   3  -4.762  10.567   4.887
   32   1HE   LYS   3          2HE       LYS   3  -7.145   9.696   6.474
   33   2HE   LYS   3          1HE       LYS   3  -6.851  11.426   6.289
   34   1HZ   LYS   3          3HZ       LYS   3  -6.832   9.574   3.982
   35   2HZ   LYS   3          2HZ       LYS   3  -8.261  10.312   4.531
   36   3HZ   LYS   3          1HZ       LYS   3  -6.970  11.265   3.971
   37    QB   LYS   3           QB       LYS   3  -4.403   8.590   7.801
   38    QG   LYS   3           QG       LYS   3  -4.859   8.295   5.425
   39    QD   LYS   3           QD       LYS   3  -4.722  10.629   5.766
   40    QE   LYS   3           QE       LYS   3  -6.998  10.561   6.382
   41    QZ   LYS   3           QZ       LYS   3  -7.354  10.384   4.161
   42    H    PHE   4           H        PHE   4  -3.623   6.689   6.036
   43    HA   PHE   4           HA       PHE   4  -2.210   4.532   7.173
   44   1HB   PHE   4          2HB       PHE   4  -2.978   2.608   5.925
   45   2HB   PHE   4          1HB       PHE   4  -4.384   3.314   6.718
   46    HD1  PHE   4          1HD       PHE   4  -5.807   4.989   5.371
   47    HD2  PHE   4          2HD       PHE   4  -2.932   2.346   3.584
   48    HE1  PHE   4          1HE       PHE   4  -6.902   5.288   3.165
   49    HE2  PHE   4          2HE       PHE   4  -4.026   2.645   1.380
   50    HZ   PHE   4           HZ       PHE   4  -6.011   4.117   1.170
   51    QB   PHE   4           QB       PHE   4  -3.681   2.961   6.321
   52    QD   PHE   4           QD       PHE   4  -4.369   3.667   4.477
   53    QE   PHE   4           QE       PHE   4  -5.464   3.967   2.273
   54    QR   PHE   4           QR       PHE   4  -5.135   3.877   2.934
   55    H    TYR   5           H        TYR   5  -0.879   3.349   5.279
   56    HA   TYR   5           HA       TYR   5  -0.590   4.454   2.726
   57   1HB   TYR   5          2HB       TYR   5   1.301   5.995   3.001
   58   2HB   TYR   5          1HB       TYR   5  -0.071   6.596   3.916
   59    HD1  TYR   5          1HD       TYR   5   3.365   5.660   4.060
   60    HD2  TYR   5          2HD       TYR   5  -0.203   5.907   6.439
   61    HE1  TYR   5          1HE       TYR   5   4.736   5.619   6.125
   62    HE2  TYR   5          2HE       TYR   5   1.167   5.862   8.502
   63    HH   TYR   5           HH       TYR   5   3.563   4.933   9.098
   64    QB   TYR   5           QB       TYR   5   0.615   6.295   3.458
   65    QD   TYR   5           QD       TYR   5   1.581   5.783   5.250
   66    QE   TYR   5           QE       TYR   5   2.951   5.740   7.314
   67    QR   TYR   5           QR       TYR   5   2.266   5.762   6.282
   68    H    VAL   6           H        VAL   6   2.171   4.257   2.393
   69    HA   VAL   6           HA       VAL   6   2.893   1.893   4.010
   70    HB   VAL   6           HB       VAL   6   3.003   1.729   1.010
   71   1HG1  VAL   6          2HG1      VAL   6   3.641   0.095   3.380
   72   2HG1  VAL   6          1HG1      VAL   6   2.825  -0.758   2.070
   73   3HG1  VAL   6          3HG1      VAL   6   4.354   0.068   1.766
   74   1HG2  VAL   6          3HG2      VAL   6   0.634   1.981   1.889
   75   2HG2  VAL   6          2HG2      VAL   6   0.944   0.435   1.115
   76   3HG2  VAL   6          1HG2      VAL   6   0.909   0.551   2.870
   77    QG1  VAL   6           QG1      VAL   6   3.607  -0.199   2.405
   78    QG2  VAL   6           QG2      VAL   6   0.829   0.989   1.958
   79    QQG  VAL   6           QQG      VAL   6   2.218   0.395   2.182
   80    H    ASP   7           H        ASP   7   5.093   1.213   3.743
   81    HA   ASP   7           HA       ASP   7   6.827   3.486   2.949
   82   1HB   ASP   7          2HB       ASP   7   6.970   2.766   5.312
   83   2HB   ASP   7          1HB       ASP   7   7.440   1.153   4.785
   84    QB   ASP   7           QB       ASP   7   7.205   1.960   5.048
   85    H    GLN   8           H        GLN   8   6.577   2.757   0.757
   86    HA   GLN   8           HA       GLN   8   7.149   0.318  -0.403
   87   1HB   GLN   8          2HB       GLN   8   8.425   2.834  -1.479
   88   2HB   GLN   8          1HB       GLN   8   7.743   1.479  -2.377
   89   1HG   GLN   8          2HG       GLN   8   5.927   2.833  -2.572
   90   2HG   GLN   8          1HG       GLN   8   5.569   2.272  -0.940
   91   1HE2  GLN   8          2HE2      GLN   8   5.488   5.708  -0.073
   92   2HE2  GLN   8          1HE2      GLN   8   4.574   4.296  -0.298
   93    QB   GLN   8           QB       GLN   8   8.084   2.157  -1.928
   94    QG   GLN   8           QG       GLN   8   5.748   2.552  -1.756
   95    QE2  GLN   8           QE2      GLN   8   5.031   5.002  -0.186
   96    H    ASP   9           H        ASP   9   9.331   2.268   1.430
   97    HA   ASP   9           HA       ASP   9  11.840   1.486   0.388
   98   1HB   ASP   9          2HB       ASP   9  10.872   2.788   2.736
   99   2HB   ASP   9          1HB       ASP   9  11.983   1.517   3.251
  100    QB   ASP   9           QB       ASP   9  11.428   2.153   2.994
  101    H    GLU  10           H        GLU  10   9.602  -0.175   2.533
  102    HA   GLU  10           HA       GLU  10  11.436  -2.415   2.991
  103   1HB   GLU  10          2HB       GLU  10   9.528  -1.509   4.535
  104   2HB   GLU  10          1HB       GLU  10   8.474  -2.472   3.504
  105   1HG   GLU  10          2HG       GLU  10  10.885  -3.512   5.025
  106   2HG   GLU  10          1HG       GLU  10   9.200  -3.771   5.475
  107    QB   GLU  10           QB       GLU  10   9.001  -1.991   4.020
  108    QG   GLU  10           QG       GLU  10  10.042  -3.642   5.250
  109    H    CYS  11           H        CYS  11   8.762  -1.605   0.853
  110    HA   CYS  11           HA       CYS  11   7.927  -4.035  -0.148
  111   1HB   CYS  11          1HB       CYS  11   7.060  -1.943  -1.031
  112   2HB   CYS  11          2HB       CYS  11   8.630  -1.544  -1.726
  113    QB   CYS  11           QB       CYS  11   7.845  -1.744  -1.379
  114    H    ILE  12           H        ILE  12   8.747  -5.604  -1.558
  115    HA   ILE  12           HA       ILE  12  11.693  -5.502  -1.926
  116    HB   ILE  12           HB       ILE  12  11.164  -7.984  -2.698
  117   1HG1  ILE  12          2HG1      ILE  12   8.622  -7.359  -2.437
  118   2HG1  ILE  12          1HG1      ILE  12   9.185  -8.934  -1.889
  119   1HG2  ILE  12          2HG2      ILE  12  11.281  -6.855   0.094
  120   2HG2  ILE  12          1HG2      ILE  12  11.207  -8.597  -0.179
  121   3HG2  ILE  12          3HG2      ILE  12  12.554  -7.659  -0.826
  122   1HD1  ILE  12          2HD1      ILE  12   9.225  -6.639   0.043
  123   2HD1  ILE  12          1HD1      ILE  12   7.687  -7.426  -0.312
  124   3HD1  ILE  12          3HD1      ILE  12   9.021  -8.362   0.359
  125    QG1  ILE  12           QG1      ILE  12   8.904  -8.146  -2.163
  126    QG2  ILE  12           QG2      ILE  12  11.680  -7.704  -0.304
  127    QD1  ILE  12           QD1      ILE  12   8.644  -7.476   0.030
  128    H    ALA  13           H        ALA  13   8.719  -6.139  -3.805
  129    HA   ALA  13           HA       ALA  13   9.351  -4.737  -6.092
  130   1HB   ALA  13          2HB       ALA  13  10.858  -7.318  -5.932
  131   2HB   ALA  13          1HB       ALA  13  10.210  -6.832  -7.499
  132   3HB   ALA  13          3HB       ALA  13  11.343  -5.781  -6.649
  133    QB   ALA  13           QB       ALA  13  10.804  -6.643  -6.693
  134    H    CYS  14           H        CYS  14   8.080  -7.738  -4.783
  135    HA   CYS  14           HA       CYS  14   6.450  -8.559  -6.940
  136   1HB   CYS  14          1HB       CYS  14   5.742 -10.101  -5.461
  137   2HB   CYS  14          2HB       CYS  14   6.791  -9.324  -4.274
  138    QB   CYS  14           QB       CYS  14   6.266  -9.713  -4.868
  139    H    GLU  15           H        GLU  15   4.147  -8.188  -7.310
  140    HA   GLU  15           HA       GLU  15   3.290  -5.472  -6.393
  141   1HB   GLU  15          2HB       GLU  15   2.379  -6.831  -8.935
  142   2HB   GLU  15          1HB       GLU  15   2.250  -5.124  -8.507
  143   1HG   GLU  15          2HG       GLU  15   4.682  -4.883  -8.598
  144   2HG   GLU  15          1HG       GLU  15   4.861  -6.606  -8.935
  145    QB   GLU  15           QB       GLU  15   2.315  -5.978  -8.721
  146    QG   GLU  15           QG       GLU  15   4.771  -5.745  -8.766
  147    H    SER  16           H        SER  16   2.765  -8.317  -5.323
  148    HA   SER  16           HA       SER  16   0.189  -9.243  -5.765
  149   1HB   SER  16          2HB       SER  16   1.605  -8.883  -3.108
  150   2HB   SER  16          1HB       SER  16   0.135  -9.831  -3.318
  151    HG   SER  16           HG       SER  16   1.267 -11.359  -4.230
  152    QB   SER  16           QB       SER  16   0.870  -9.357  -3.213
  153    H    CYS  17           H        CYS  17   0.942  -6.854  -3.207
  154    HA   CYS  17           HA       CYS  17  -1.669  -6.059  -2.609
  155   1HB   CYS  17          1HB       CYS  17  -0.724  -4.024  -1.744
  156   2HB   CYS  17          2HB       CYS  17   0.488  -5.283  -1.499
  157    QB   CYS  17           QB       CYS  17  -0.118  -4.653  -1.622
  158    H    VAL  18           H        VAL  18   0.505  -4.526  -5.005
  159    HA   VAL  18           HA       VAL  18  -1.167  -2.612  -6.090
  160    HB   VAL  18           HB       VAL  18   0.555  -4.523  -7.702
  161   1HG1  VAL  18          3HG1      VAL  18  -0.819  -1.927  -8.265
  162   2HG1  VAL  18          2HG1      VAL  18   0.765  -2.201  -8.990
  163   3HG1  VAL  18          1HG1      VAL  18  -0.562  -3.313  -9.326
  164   1HG2  VAL  18          2HG2      VAL  18   1.395  -2.978  -5.610
  165   2HG2  VAL  18          1HG2      VAL  18   2.405  -3.389  -6.996
  166   3HG2  VAL  18          3HG2      VAL  18   1.557  -1.843  -6.949
  167    QG1  VAL  18           QG1      VAL  18  -0.205  -2.481  -8.860
  168    QG2  VAL  18           QG2      VAL  18   1.786  -2.737  -6.518
  169    QQG  VAL  18           QQG      VAL  18   0.790  -2.609  -7.689
  170    H    GLU  19           H        GLU  19  -1.160  -6.091  -6.916
  171    HA   GLU  19           HA       GLU  19  -3.300  -5.906  -8.805
  172   1HB   GLU  19          2HB       GLU  19  -1.630  -7.915  -8.047
  173   2HB   GLU  19          1HB       GLU  19  -3.105  -8.399  -7.211
  174   1HG   GLU  19          2HG       GLU  19  -3.394  -7.516 -10.040
  175   2HG   GLU  19          1HG       GLU  19  -2.620  -9.079  -9.767
  176    QB   GLU  19           QB       GLU  19  -2.367  -8.157  -7.629
  177    QG   GLU  19           QG       GLU  19  -3.007  -8.297  -9.904
  178    H    ILE  20           H        ILE  20  -3.231  -6.263  -5.311
  179    HA   ILE  20           HA       ILE  20  -6.169  -6.528  -5.223
  180    HB   ILE  20           HB       ILE  20  -4.199  -6.198  -2.971
  181   1HG1  ILE  20          2HG1      ILE  20  -5.254  -8.547  -4.359
  182   2HG1  ILE  20          1HG1      ILE  20  -3.591  -8.190  -3.993
  183   1HG2  ILE  20          3HG2      ILE  20  -6.988  -5.995  -3.003
  184   2HG2  ILE  20          2HG2      ILE  20  -6.646  -7.606  -2.377
  185   3HG2  ILE  20          1HG2      ILE  20  -5.970  -6.189  -1.577
  186   1HD1  ILE  20          1HD1      ILE  20  -4.464  -8.292  -1.497
  187   2HD1  ILE  20          3HD1      ILE  20  -5.740  -9.281  -2.206
  188   3HD1  ILE  20          2HD1      ILE  20  -4.054  -9.777  -2.355
  189    QG1  ILE  20           QG1      ILE  20  -4.422  -8.368  -4.176
  190    QG2  ILE  20           QG2      ILE  20  -6.535  -6.597  -2.319
  191    QD1  ILE  20           QD1      ILE  20  -4.752  -9.117  -2.019
  192    H    ALA  21           H        ALA  21  -4.383  -4.105  -6.141
  193    HA   ALA  21           HA       ALA  21  -6.228  -2.061  -5.270
  194   1HB   ALA  21          3HB       ALA  21  -3.467  -2.102  -4.014
  195   2HB   ALA  21          2HB       ALA  21  -4.521  -0.689  -4.019
  196   3HB   ALA  21          1HB       ALA  21  -5.016  -2.154  -3.172
  197    QB   ALA  21           QB       ALA  21  -4.335  -1.649  -3.735
  198    HA   PRO  22           HA       PRO  22  -3.574  -1.402  -9.045
  199   1HB   PRO  22          2HB       PRO  22  -5.616  -1.352 -10.841
  200   2HB   PRO  22          1HB       PRO  22  -4.775  -2.832 -10.379
  201   1HG   PRO  22          2HG       PRO  22  -7.415  -1.794  -9.433
  202   2HG   PRO  22          1HG       PRO  22  -6.930  -3.462  -9.786
  203   1HD   PRO  22          2HD       PRO  22  -7.106  -2.458  -7.254
  204   2HD   PRO  22          1HD       PRO  22  -5.997  -3.768  -7.711
  205    QB   PRO  22           QB       PRO  22  -5.196  -2.092 -10.610
  206    QG   PRO  22           QG       PRO  22  -7.173  -2.628  -9.609
  207    QD   PRO  22           QD       PRO  22  -6.551  -3.113  -7.482
  208    H    GLY  23           H        GLY  23  -4.023   0.562  -7.271
  209   1HA   GLY  23          2HA       GLY  23  -4.452   2.900  -8.849
  210   2HA   GLY  23          1HA       GLY  23  -5.902   2.586  -7.891
  211    QA   GLY  23           QA       GLY  23  -5.177   2.743  -8.370
  212    H    ALA  24           H        ALA  24  -5.271   1.948  -5.489
  213    HA   ALA  24           HA       ALA  24  -3.972   4.243  -4.324
  214   1HB   ALA  24          3HB       ALA  24  -5.733   2.515  -3.326
  215   2HB   ALA  24          2HB       ALA  24  -4.274   1.674  -2.804
  216   3HB   ALA  24          1HB       ALA  24  -4.577   3.328  -2.271
  217    QB   ALA  24           QB       ALA  24  -4.861   2.506  -2.800
  218    H    PHE  25           H        PHE  25  -2.973   0.872  -4.876
  219    HA   PHE  25           HA       PHE  25  -0.272   1.675  -3.974
  220   1HB   PHE  25          2HB       PHE  25  -1.755  -0.714  -3.646
  221   2HB   PHE  25          1HB       PHE  25  -0.438  -1.094  -4.756
  222    HD1  PHE  25          1HD       PHE  25  -0.905  -1.928  -1.734
  223    HD2  PHE  25          2HD       PHE  25   1.511   1.035  -3.689
  224    HE1  PHE  25          1HE       PHE  25   0.700  -1.991   0.156
  225    HE2  PHE  25          2HE       PHE  25   3.108   0.970  -1.796
  226    HZ   PHE  25           HZ       PHE  25   2.711  -0.538   0.123
  227    QB   PHE  25           QB       PHE  25  -1.096  -0.904  -4.201
  228    QD   PHE  25           QD       PHE  25   0.303  -0.446  -2.712
  229    QE   PHE  25           QE       PHE  25   1.904  -0.510  -0.820
  230    QR   PHE  25           QR       PHE  25   1.425  -0.490  -1.388
  231    H    ALA  26           H        ALA  26   1.355   1.896  -5.434
  232    HA   ALA  26           HA       ALA  26   1.274   0.594  -8.048
  233   1HB   ALA  26          3HB       ALA  26  -0.100   2.972  -7.897
  234   2HB   ALA  26          2HB       ALA  26   1.501   3.510  -8.404
  235   3HB   ALA  26          1HB       ALA  26   0.622   2.325  -9.370
  236    QB   ALA  26           QB       ALA  26   0.675   2.935  -8.557
  237    H    MET  27           H        MET  27   3.365   0.254  -8.669
  238    HA   MET  27           HA       MET  27   5.522   1.242  -7.027
  239   1HB   MET  27          2HB       MET  27   6.979   0.117  -8.740
  240   2HB   MET  27          1HB       MET  27   5.738  -0.938  -8.064
  241   1HG   MET  27          2HG       MET  27   4.495  -0.957 -10.015
  242   2HG   MET  27          1HG       MET  27   5.062   0.636 -10.515
  243   1HE   MET  27          3HE       MET  27   4.989  -0.291 -12.679
  244   2HE   MET  27          2HE       MET  27   6.322  -1.107 -13.493
  245   3HE   MET  27          1HE       MET  27   5.086  -2.058 -12.674
  246    QB   MET  27           QB       MET  27   6.359  -0.410  -8.402
  247    QG   MET  27           QG       MET  27   4.778  -0.161 -10.265
  248    QE   MET  27           QE       MET  27   5.466  -1.152 -12.949
  249    H    ASP  28           H        ASP  28   7.272   2.714  -7.688
  250    HA   ASP  28           HA       ASP  28   6.492   4.382 -10.051
  251   1HB   ASP  28          2HB       ASP  28   6.329   5.257  -7.464
  252   2HB   ASP  28          1HB       ASP  28   7.996   5.678  -7.848
  253    QB   ASP  28           QB       ASP  28   7.163   5.468  -7.656
  254    HA   PRO  29           HA       PRO  29  10.680   3.571 -11.101
  255   1HB   PRO  29          2HB       PRO  29  11.227   5.655 -12.754
  256   2HB   PRO  29          1HB       PRO  29  10.145   4.340 -13.202
  257   1HG   PRO  29          2HG       PRO  29   9.490   7.119 -12.482
  258   2HG   PRO  29          1HG       PRO  29   8.542   5.947 -13.407
  259   1HD   PRO  29          2HD       PRO  29   8.201   6.699 -10.677
  260   2HD   PRO  29          1HD       PRO  29   7.303   5.470 -11.578
  261    QB   PRO  29           QB       PRO  29  10.686   4.997 -12.978
  262    QG   PRO  29           QG       PRO  29   9.016   6.533 -12.945
  263    QD   PRO  29           QD       PRO  29   7.752   6.085 -11.128
  264    H    GLU  30           H        GLU  30   9.770   6.468  -9.532
  265    HA   GLU  30           HA       GLU  30  12.550   7.305  -8.950
  266   1HB   GLU  30          2HB       GLU  30  10.352   8.598  -7.513
  267   2HB   GLU  30          1HB       GLU  30  11.703   9.329  -8.359
  268   1HG   GLU  30          2HG       GLU  30  10.297   8.275 -10.450
  269   2HG   GLU  30          1HG       GLU  30   8.987   8.691  -9.345
  270    QB   GLU  30           QB       GLU  30  11.027   8.963  -7.936
  271    QG   GLU  30           QG       GLU  30   9.642   8.483  -9.897
  272    H    ILE  31           H        ILE  31   9.819   5.671  -7.628
  273    HA   ILE  31           HA       ILE  31  11.249   5.249  -5.070
  274    HB   ILE  31           HB       ILE  31   9.218   4.995  -3.978
  275   1HG1  ILE  31          2HG1      ILE  31   8.141   4.184  -6.689
  276   2HG1  ILE  31          1HG1      ILE  31   8.249   3.208  -5.226
  277   1HG2  ILE  31          2HG2      ILE  31   9.523   7.240  -5.407
  278   2HG2  ILE  31          1HG2      ILE  31   8.045   6.649  -6.166
  279   3HG2  ILE  31          3HG2      ILE  31   8.085   6.948  -4.428
  280   1HD1  ILE  31          2HD1      ILE  31   6.618   4.736  -4.123
  281   2HD1  ILE  31          1HD1      ILE  31   6.454   5.616  -5.642
  282   3HD1  ILE  31          3HD1      ILE  31   5.937   3.934  -5.538
  283    QG1  ILE  31           QG1      ILE  31   8.195   3.696  -5.957
  284    QG2  ILE  31           QG2      ILE  31   8.551   6.946  -5.334
  285    QD1  ILE  31           QD1      ILE  31   6.336   4.762  -5.101
  286    H    GLU  32           H        GLU  32  10.732   3.912  -8.023
  287    HA   GLU  32           HA       GLU  32  10.528   1.701  -8.826
  288   1HB   GLU  32          2HB       GLU  32  12.897   1.550  -6.930
  289   2HB   GLU  32          1HB       GLU  32  12.584   0.438  -8.263
  290   1HG   GLU  32          2HG       GLU  32  13.515   1.859  -9.738
  291   2HG   GLU  32          1HG       GLU  32  12.458   3.167  -9.204
  292    QB   GLU  32           QB       GLU  32  12.740   0.994  -7.596
  293    QG   GLU  32           QG       GLU  32  12.987   2.513  -9.471
  294    H    LYS  33           H        LYS  33   8.770   2.128  -6.654
  295    HA   LYS  33           HA       LYS  33   8.443  -0.660  -5.759
  296   1HB   LYS  33          2HB       LYS  33   9.108   1.520  -3.761
  297   2HB   LYS  33          1HB       LYS  33   8.419  -0.038  -3.314
  298   1HG   LYS  33          2HG       LYS  33  11.077   0.403  -4.707
  299   2HG   LYS  33          1HG       LYS  33  10.850  -0.077  -3.030
  300   1HD   LYS  33          2HD       LYS  33   9.803  -2.169  -3.714
  301   2HD   LYS  33          1HD       LYS  33   9.888  -1.696  -5.409
  302   1HE   LYS  33          2HE       LYS  33  11.754  -3.250  -4.383
  303   2HE   LYS  33          1HE       LYS  33  12.194  -1.975  -5.518
  304   1HZ   LYS  33          2HZ       LYS  33  12.151  -1.577  -2.582
  305   2HZ   LYS  33          1HZ       LYS  33  13.541  -2.070  -3.427
  306   3HZ   LYS  33          3HZ       LYS  33  12.836  -0.564  -3.760
  307    QB   LYS  33           QB       LYS  33   8.764   0.741  -3.538
  308    QG   LYS  33           QG       LYS  33  10.963   0.163  -3.869
  309    QD   LYS  33           QD       LYS  33   9.846  -1.932  -4.562
  310    QE   LYS  33           QE       LYS  33  11.974  -2.613  -4.950
  311    QZ   LYS  33           QZ       LYS  33  12.843  -1.403  -3.256
  312    H    ALA  34           H        ALA  34   6.350  -1.079  -4.964
  313    HA   ALA  34           HA       ALA  34   4.250   0.640  -5.843
  314   1HB   ALA  34          1HB       ALA  34   4.408  -1.961  -4.986
  315   2HB   ALA  34          3HB       ALA  34   3.566  -1.191  -3.641
  316   3HB   ALA  34          2HB       ALA  34   2.900  -1.092  -5.271
  317    QB   ALA  34           QB       ALA  34   3.625  -1.415  -4.632
  318    H    TYR  35           H        TYR  35   3.076   2.190  -4.800
  319    HA   TYR  35           HA       TYR  35   3.627   2.708  -1.906
  320   1HB   TYR  35          2HB       TYR  35   3.910   5.056  -2.274
  321   2HB   TYR  35          1HB       TYR  35   4.995   4.219  -3.370
  322    HD1  TYR  35          1HD       TYR  35   4.413   6.990  -3.853
  323    HD2  TYR  35          2HD       TYR  35   2.160   3.548  -5.069
  324    HE1  TYR  35          1HE       TYR  35   3.453   8.271  -5.741
  325    HE2  TYR  35          2HE       TYR  35   1.183   4.830  -6.931
  326    HH   TYR  35           HH       TYR  35   0.970   7.851  -7.173
  327    QB   TYR  35           QB       TYR  35   4.453   4.638  -2.822
  328    QD   TYR  35           QD       TYR  35   3.287   5.269  -4.461
  329    QE   TYR  35           QE       TYR  35   2.318   6.551  -6.336
  330    QR   TYR  35           QR       TYR  35   2.802   5.910  -5.398
  331    H    VAL  36           H        VAL  36   1.886   3.504  -0.721
  332    HA   VAL  36           HA       VAL  36  -0.738   3.070  -1.979
  333    HB   VAL  36           HB       VAL  36   0.312   3.373   0.800
  334   1HG1  VAL  36          1HG1      VAL  36  -2.463   4.085  -0.091
  335   2HG1  VAL  36          3HG1      VAL  36  -2.211   3.320   1.477
  336   3HG1  VAL  36          2HG1      VAL  36  -1.449   4.869   1.119
  337   1HG2  VAL  36          3HG2      VAL  36   0.014   1.170  -0.323
  338   2HG2  VAL  36          2HG2      VAL  36  -0.989   1.326   1.118
  339   3HG2  VAL  36          1HG2      VAL  36  -1.708   1.511  -0.480
  340    QG1  VAL  36           QG1      VAL  36  -2.041   4.091   0.835
  341    QG2  VAL  36           QG2      VAL  36  -0.895   1.335   0.105
  342    QQG  VAL  36           QQG      VAL  36  -1.468   2.713   0.470
  343    H    LYS  37           H        LYS  37  -0.978   4.857  -3.371
  344    HA   LYS  37           HA       LYS  37  -0.938   7.553  -2.103
  345   1HB   LYS  37          2HB       LYS  37  -0.854   6.668  -4.982
  346   2HB   LYS  37          1HB       LYS  37  -1.040   8.349  -4.491
  347   1HG   LYS  37          2HG       LYS  37   1.297   6.512  -3.994
  348   2HG   LYS  37          1HG       LYS  37   1.257   8.048  -4.866
  349   1HD   LYS  37          2HD       LYS  37   2.025   8.924  -2.914
  350   2HD   LYS  37          1HD       LYS  37   0.332   8.844  -2.433
  351   1HE   LYS  37          2HE       LYS  37   0.927   7.449  -0.769
  352   2HE   LYS  37          1HE       LYS  37   1.394   6.263  -1.989
  353   1HZ   LYS  37          2HZ       LYS  37   3.229   8.452  -1.280
  354   2HZ   LYS  37          1HZ       LYS  37   3.133   7.072  -0.295
  355   3HZ   LYS  37          3HZ       LYS  37   3.582   6.919  -1.923
  356    QB   LYS  37           QB       LYS  37  -0.947   7.509  -4.737
  357    QG   LYS  37           QG       LYS  37   1.277   7.280  -4.430
  358    QD   LYS  37           QD       LYS  37   1.179   8.884  -2.673
  359    QE   LYS  37           QE       LYS  37   1.160   6.856  -1.379
  360    QZ   LYS  37           QZ       LYS  37   3.315   7.481  -1.166
  361    H    ASP  38           H        ASP  38  -2.835   5.690  -4.476
  362    HA   ASP  38           HA       ASP  38  -5.093   7.541  -4.133
  363   1HB   ASP  38          2HB       ASP  38  -4.583   6.692  -6.352
  364   2HB   ASP  38          1HB       ASP  38  -4.773   5.036  -5.791
  365    QB   ASP  38           QB       ASP  38  -4.678   5.864  -6.072
  366    H    VAL  39           H        VAL  39  -5.343   6.997  -1.792
  367    HA   VAL  39           HA       VAL  39  -6.057   4.507  -0.735
  368    HB   VAL  39           HB       VAL  39  -7.407   5.798   0.923
  369   1HG1  VAL  39          1HG1      VAL  39  -4.718   5.781   0.604
  370   2HG1  VAL  39          3HG1      VAL  39  -5.019   7.516   0.505
  371   3HG1  VAL  39          2HG1      VAL  39  -5.520   6.614   1.936
  372   1HG2  VAL  39          2HG2      VAL  39  -7.308   7.742  -1.278
  373   2HG2  VAL  39          1HG2      VAL  39  -8.443   7.629   0.066
  374   3HG2  VAL  39          3HG2      VAL  39  -6.892   8.441   0.286
  375    QG1  VAL  39           QG1      VAL  39  -5.086   6.637   1.015
  376    QG2  VAL  39           QG2      VAL  39  -7.548   7.937  -0.309
  377    QQG  VAL  39           QQG      VAL  39  -6.317   7.287   0.353
  378    H    GLU  40           H        GLU  40  -7.953   6.690  -2.741
  379    HA   GLU  40           HA       GLU  40 -10.444   5.215  -2.339
  380   1HB   GLU  40          2HB       GLU  40  -9.551   7.498  -4.070
  381   2HB   GLU  40          1HB       GLU  40 -11.035   6.641  -4.486
  382   1HG   GLU  40          2HG       GLU  40 -12.160   7.417  -2.652
  383   2HG   GLU  40          1HG       GLU  40 -10.726   7.370  -1.627
  384    QB   GLU  40           QB       GLU  40 -10.293   7.070  -4.278
  385    QG   GLU  40           QG       GLU  40 -11.443   7.393  -2.140
  386    H    GLY  41           H        GLY  41  -7.631   4.608  -4.075
  387   1HA   GLY  41          2HA       GLY  41  -8.940   3.312  -6.369
  388   2HA   GLY  41          1HA       GLY  41  -7.204   3.356  -6.055
  389    QA   GLY  41           QA       GLY  41  -8.072   3.334  -6.212
  390    H    ALA  42           H        ALA  42  -8.771   2.470  -3.233
  391    HA   ALA  42           HA       ALA  42  -8.989  -0.397  -3.877
  392   1HB   ALA  42          2HB       ALA  42  -6.691   0.799  -2.414
  393   2HB   ALA  42          1HB       ALA  42  -7.378  -0.673  -1.728
  394   3HB   ALA  42          3HB       ALA  42  -6.766  -0.674  -3.382
  395    QB   ALA  42           QB       ALA  42  -6.945  -0.183  -2.508
  396    H    SER  43           H        SER  43 -10.859  -0.940  -2.867
  397    HA   SER  43           HA       SER  43 -12.038   0.606  -0.761
  398   1HB   SER  43          2HB       SER  43 -12.967  -2.130  -0.737
  399   2HB   SER  43          1HB       SER  43 -13.821  -0.676  -1.247
  400    HG   SER  43           HG       SER  43 -13.341  -2.422  -2.863
  401    QB   SER  43           QB       SER  43 -13.394  -1.403  -0.992
  402    H    GLN  44           H        GLN  44 -12.518  -0.271   1.456
  403    HA   GLN  44           HA       GLN  44 -10.215  -0.791   2.951
  404   1HB   GLN  44          2HB       GLN  44 -12.475  -0.145   3.867
  405   2HB   GLN  44          1HB       GLN  44 -12.979  -1.820   3.649
  406   1HG   GLN  44          2HG       GLN  44 -11.820  -2.526   5.464
  407   2HG   GLN  44          1HG       GLN  44 -10.412  -1.545   5.052
  408   1HE2  GLN  44          2HE2      GLN  44 -13.247  -0.045   7.591
  409   2HE2  GLN  44          1HE2      GLN  44 -13.550  -1.475   6.726
  410    QB   GLN  44           QB       GLN  44 -12.727  -0.982   3.758
  411    QG   GLN  44           QG       GLN  44 -11.116  -2.035   5.258
  412    QE2  GLN  44           QE2      GLN  44 -13.399  -0.760   7.158
  413    H    GLU  45           H        GLU  45 -12.512  -3.156   1.586
  414    HA   GLU  45           HA       GLU  45 -11.134  -5.463   2.626
  415   1HB   GLU  45          2HB       GLU  45 -12.916  -5.236   0.179
  416   2HB   GLU  45          1HB       GLU  45 -12.485  -6.732   1.011
  417   1HG   GLU  45          2HG       GLU  45 -14.008  -4.411   2.235
  418   2HG   GLU  45          1HG       GLU  45 -14.713  -5.945   1.722
  419    QB   GLU  45           QB       GLU  45 -12.701  -5.984   0.595
  420    QG   GLU  45           QG       GLU  45 -14.360  -5.178   1.978
  421    H    GLU  46           H        GLU  46 -10.257  -3.212   0.273
  422    HA   GLU  46           HA       GLU  46  -8.603  -5.172  -1.248
  423   1HB   GLU  46          2HB       GLU  46  -8.954  -2.193  -1.713
  424   2HB   GLU  46          1HB       GLU  46  -8.259  -3.367  -2.825
  425   1HG   GLU  46          2HG       GLU  46 -10.586  -4.558  -2.597
  426   2HG   GLU  46          1HG       GLU  46 -11.131  -2.975  -2.041
  427    QB   GLU  46           QB       GLU  46  -8.606  -2.780  -2.269
  428    QG   GLU  46           QG       GLU  46 -10.859  -3.767  -2.319
  429    H    VAL  47           H        VAL  47  -8.518  -2.240   0.637
  430    HA   VAL  47           HA       VAL  47  -5.697  -1.882   0.733
  431    HB   VAL  47           HB       VAL  47  -7.467  -1.173   3.056
  432   1HG1  VAL  47          2HG1      VAL  47  -4.911  -0.439   1.974
  433   2HG1  VAL  47          1HG1      VAL  47  -5.959   0.980   2.025
  434   3HG1  VAL  47          3HG1      VAL  47  -5.651   0.058   3.496
  435   1HG2  VAL  47          1HG2      VAL  47  -7.955  -0.479   0.255
  436   2HG2  VAL  47          3HG2      VAL  47  -8.975  -0.206   1.667
  437   3HG2  VAL  47          2HG2      VAL  47  -7.704   0.947   1.262
  438    QG1  VAL  47           QG1      VAL  47  -5.507   0.200   2.498
  439    QG2  VAL  47           QG2      VAL  47  -8.211   0.087   1.062
  440    QQG  VAL  47           QQG      VAL  47  -6.859   0.143   1.780
  441    H    GLU  48           H        GLU  48  -7.993  -3.647   2.811
  442    HA   GLU  48           HA       GLU  48  -6.012  -4.593   4.653
  443   1HB   GLU  48          2HB       GLU  48  -8.851  -4.626   4.250
  444   2HB   GLU  48          1HB       GLU  48  -8.295  -6.255   4.565
  445   1HG   GLU  48          2HG       GLU  48  -6.855  -4.810   6.393
  446   2HG   GLU  48          1HG       GLU  48  -8.375  -3.921   6.334
  447    QB   GLU  48           QB       GLU  48  -8.573  -5.441   4.408
  448    QG   GLU  48           QG       GLU  48  -7.615  -4.365   6.364
  449    H    GLU  49           H        GLU  49  -7.823  -6.111   1.942
  450    HA   GLU  49           HA       GLU  49  -6.612  -8.658   2.061
  451   1HB   GLU  49          2HB       GLU  49  -7.835  -7.019  -0.125
  452   2HB   GLU  49          1HB       GLU  49  -6.915  -8.453  -0.584
  453   1HG   GLU  49          2HG       GLU  49  -9.062  -8.533   1.543
  454   2HG   GLU  49          1HG       GLU  49  -9.420  -8.800  -0.163
  455    QB   GLU  49           QB       GLU  49  -7.375  -7.736  -0.355
  456    QG   GLU  49           QG       GLU  49  -9.241  -8.667   0.690
  457    H    ALA  50           H        ALA  50  -5.518  -5.728   0.348
  458    HA   ALA  50           HA       ALA  50  -3.089  -6.952  -0.638
  459   1HB   ALA  50          3HB       ALA  50  -4.351  -4.710  -1.331
  460   2HB   ALA  50          2HB       ALA  50  -3.260  -4.004  -0.139
  461   3HB   ALA  50          1HB       ALA  50  -2.607  -4.866  -1.531
  462    QB   ALA  50           QB       ALA  50  -3.406  -4.527  -1.001
  463    H    MET  51           H        MET  51  -4.099  -5.874   2.428
  464    HA   MET  51           HA       MET  51  -1.455  -5.121   3.424
  465   1HB   MET  51          2HB       MET  51  -4.019  -4.614   4.263
  466   2HB   MET  51          1HB       MET  51  -3.528  -5.885   5.382
  467   1HG   MET  51          2HG       MET  51  -1.351  -4.497   5.665
  468   2HG   MET  51          1HG       MET  51  -2.276  -3.179   4.947
  469   1HE   MET  51          1HE       MET  51  -2.502  -1.664   6.178
  470   2HE   MET  51          3HE       MET  51  -4.103  -1.598   6.928
  471   3HE   MET  51          2HE       MET  51  -2.655  -1.586   7.931
  472    QB   MET  51           QB       MET  51  -3.773  -5.250   4.823
  473    QG   MET  51           QG       MET  51  -1.813  -3.838   5.306
  474    QE   MET  51           QE       MET  51  -3.087  -1.616   7.012
  475    H    ASP  52           H        ASP  52  -3.297  -8.041   3.062
  476    HA   ASP  52           HA       ASP  52  -1.548  -9.490   4.978
  477   1HB   ASP  52          2HB       ASP  52  -4.161  -9.785   4.635
  478   2HB   ASP  52          1HB       ASP  52  -3.647 -10.852   3.329
  479    QB   ASP  52           QB       ASP  52  -3.904 -10.318   3.982
  480    H    THR  53           H        THR  53  -2.252  -9.248   1.525
  481    HA   THR  53           HA       THR  53  -0.899 -11.488   0.530
  482    HB   THR  53           HB       THR  53  -0.179  -9.549  -1.274
  483    HG1  THR  53          1HG       THR  53  -1.224  -7.802  -0.849
  484   1HG2  THR  53          2HG2      THR  53  -1.632 -11.638  -1.518
  485   2HG2  THR  53          1HG2      THR  53  -2.995 -10.622  -1.050
  486   3HG2  THR  53          3HG2      THR  53  -2.086 -10.256  -2.517
  487    QG2  THR  53           QG2      THR  53  -2.238 -10.839  -1.695
  488    H    CYS  54           H        CYS  54   0.536  -8.255   1.112
  489    HA   CYS  54           HA       CYS  54   3.185  -8.787   0.478
  490   1HB   CYS  54          1HB       CYS  54   2.030  -6.643   1.516
  491   2HB   CYS  54          2HB       CYS  54   2.632  -7.314   3.029
  492    QB   CYS  54           QB       CYS  54   2.331  -6.979   2.272
  493    HA   PRO  55           HA       PRO  55   4.375 -11.900   3.348
  494   1HB   PRO  55          2HB       PRO  55   7.059 -11.796   2.947
  495   2HB   PRO  55          1HB       PRO  55   5.944 -12.533   1.797
  496   1HG   PRO  55          2HG       PRO  55   7.295  -9.885   1.669
  497   2HG   PRO  55          1HG       PRO  55   6.839 -10.977   0.354
  498   1HD   PRO  55          2HD       PRO  55   5.455  -8.684   1.078
  499   2HD   PRO  55          1HD       PRO  55   4.789 -10.025   0.125
  500    QB   PRO  55           QB       PRO  55   6.502 -12.165   2.372
  501    QG   PRO  55           QG       PRO  55   7.067 -10.431   1.011
  502    QD   PRO  55           QD       PRO  55   5.122  -9.354   0.601
  503    H    VAL  56           H        VAL  56   6.771  -9.229   3.326
  504    HA   VAL  56           HA       VAL  56   7.127  -9.376   6.209
  505    HB   VAL  56           HB       VAL  56   8.057  -7.443   4.075
  506   1HG1  VAL  56          2HG1      VAL  56   8.262  -7.276   7.072
  507   2HG1  VAL  56          1HG1      VAL  56   9.559  -6.633   6.063
  508   3HG1  VAL  56          3HG1      VAL  56   7.922  -5.993   5.910
  509   1HG2  VAL  56          3HG2      VAL  56   9.079  -9.859   5.380
  510   2HG2  VAL  56          2HG2      VAL  56   9.615  -9.077   3.892
  511   3HG2  VAL  56          1HG2      VAL  56  10.220  -8.515   5.451
  512    QG1  VAL  56           QG1      VAL  56   8.581  -6.634   6.348
  513    QG2  VAL  56           QG2      VAL  56   9.638  -9.150   4.908
  514    QQG  VAL  56           QQG      VAL  56   9.110  -7.892   5.628
  515    H    GLN  57           H        GLN  57   4.974  -7.740   4.060
  516    HA   GLN  57           HA       GLN  57   3.170  -6.307   4.497
  517   1HB   GLN  57          2HB       GLN  57   3.686  -7.693   7.021
  518   2HB   GLN  57          1HB       GLN  57   2.992  -6.089   7.260
  519   1HG   GLN  57          2HG       GLN  57   1.373  -6.849   5.307
  520   2HG   GLN  57          1HG       GLN  57   1.830  -8.465   5.849
  521   1HE2  GLN  57          2HE2      GLN  57  -1.020  -6.670   7.879
  522   2HE2  GLN  57          1HE2      GLN  57  -0.635  -6.410   6.247
  523    QB   GLN  57           QB       GLN  57   3.339  -6.891   7.140
  524    QG   GLN  57           QG       GLN  57   1.601  -7.657   5.578
  525    QE2  GLN  57           QE2      GLN  57  -0.827  -6.540   7.063
  526    H    CYS  58           H        CYS  58   4.180  -4.413   3.752
  527    HA   CYS  58           HA       CYS  58   5.727  -2.827   5.744
  528   1HB   CYS  58          2HB       CYS  58   5.354  -1.767   2.997
  529   2HB   CYS  58          1HB       CYS  58   6.805  -1.822   3.991
  530    HG   CYS  58           HG       CYS  58   5.751  -4.354   2.474
  531    QB   CYS  58           QB       CYS  58   6.079  -1.795   3.494
  532    H    ILE  59           H        ILE  59   2.748  -2.907   3.931
  533    HA   ILE  59           HA       ILE  59   1.951  -0.192   4.196
  534    HB   ILE  59           HB       ILE  59   0.751  -1.747   2.745
  535   1HG1  ILE  59          2HG1      ILE  59  -1.255  -1.143   4.894
  536   2HG1  ILE  59          1HG1      ILE  59  -0.415   0.201   4.120
  537   1HG2  ILE  59          2HG2      ILE  59   0.134  -3.138   5.360
  538   2HG2  ILE  59          1HG2      ILE  59  -0.763  -3.451   3.874
  539   3HG2  ILE  59          3HG2      ILE  59   0.963  -3.807   3.954
  540   1HD1  ILE  59          3HD1      ILE  59  -1.077  -0.850   1.887
  541   2HD1  ILE  59          2HD1      ILE  59  -2.151  -1.901   2.811
  542   3HD1  ILE  59          1HD1      ILE  59  -2.394  -0.154   2.830
  543    QG1  ILE  59           QG1      ILE  59  -0.835  -0.471   4.507
  544    QG2  ILE  59           QG2      ILE  59   0.111  -3.465   4.396
  545    QD1  ILE  59           QD1      ILE  59  -1.874  -0.968   2.509
  546    H    HIS  60           H        HIS  60   0.598   0.817   5.760
  547    HA   HIS  60           HA       HIS  60  -0.145  -0.591   8.207
  548   1HB   HIS  60          2HB       HIS  60   1.195   1.267   9.538
  549   2HB   HIS  60          1HB       HIS  60   1.988  -0.229   9.052
  550    HD1  HIS  60          1HD       HIS  60   4.302   0.458   8.392
  551    HD2  HIS  60          2HD       HIS  60   1.418   3.017   6.807
  552    HE1  HIS  60          1HE       HIS  60   5.533   2.074   6.878
  553    QB   HIS  60           QB       HIS  60   1.592   0.519   9.295
  554    H    TRP  61           H        TRP  61  -0.879   1.333   9.853
  555    HA   TRP  61           HA       TRP  61  -2.630   3.057   8.173
  556   1HB   TRP  61          2HB       TRP  61  -2.837   2.368  11.115
  557   2HB   TRP  61          1HB       TRP  61  -4.007   3.293  10.189
  558    HD1  TRP  61           HD       TRP  61  -2.501  -0.255  10.369
  559    HE1  TRP  61          1HE       TRP  61  -4.212  -1.888   9.327
  560    HE3  TRP  61          3HE       TRP  61  -5.950   3.073   8.727
  561    HZ2  TRP  61          2HZ       TRP  61  -6.738  -1.772   7.960
  562    HZ3  TRP  61          3HZ       TRP  61  -8.010   2.316   7.553
  563    HH2  TRP  61           HH       TRP  61  -8.405  -0.105   7.171
  564    QB   TRP  61           QB       TRP  61  -3.422   2.831  10.652
  565    H    GLU  62           H        GLU  62  -3.049   5.279   9.058
  566    HA   GLU  62           HA       GLU  62  -0.630   6.404  10.403
  567   1HB   GLU  62          2HB       GLU  62  -0.322   7.061   8.157
  568   2HB   GLU  62          1HB       GLU  62  -2.049   7.313   7.899
  569   1HG   GLU  62          2HG       GLU  62  -2.001   9.264   9.398
  570   2HG   GLU  62          1HG       GLU  62  -0.283   9.003   9.699
  571    QB   GLU  62           QB       GLU  62  -1.186   7.187   8.028
  572    QG   GLU  62           QG       GLU  62  -1.142   9.133   9.549
  573    H    ASP  63           H        ASP  63  -1.430   7.001  12.377
  574    HA   ASP  63           HA       ASP  63  -4.128   8.263  12.487
  575   1HB   ASP  63          2HB       ASP  63  -3.567   6.294  13.993
  576   2HB   ASP  63          1HB       ASP  63  -2.416   7.349  14.814
  577    QB   ASP  63           QB       ASP  63  -2.991   6.821  14.403
  578    H    GLU  64           H        GLU  64  -2.682  10.107  11.412
  579    HA   GLU  64           HA       GLU  64  -1.850  11.887  13.662
  580   1HB   GLU  64          2HB       GLU  64  -0.002  10.790  12.031
  581   2HB   GLU  64          1HB       GLU  64  -0.440  12.196  11.060
  582   1HG   GLU  64          2HG       GLU  64   0.116  13.709  12.836
  583   2HG   GLU  64          1HG       GLU  64   0.268  12.387  13.996
  584    QB   GLU  64           QB       GLU  64  -0.221  11.493  11.545
  585    QG   GLU  64           QG       GLU  64   0.192  13.048  13.416
 
   
  No H/Q in entry =         585