*HEADER    DE NOVO PROTEIN                         29-APR-03   1P68              
*TITLE     SOLUTION STRUCTURE OF S-824, A DE NOVO DESIGNED FOUR HELIX            
*TITLE    2 BUNDLE                                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DE NOVO DESIGNED PROTEIN S-824;                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET3A                                     
*KEYWDS    PROTEIN, FOUR HELIX BUNDLE, DE NOVO DESIGN                            
*EXPDTA    NMR, 15 STRUCTURES                                                    
*AUTHOR    Y.WEI, S.KIM, D.FELA, J.BAUM, M.H.HECHT                               
*REVDAT   1   11-NOV-03 1P68    0                                                

!M1 

!Y2
assign (resid 2 and name HN) (resid 1 and name HA) 3.0 1.2 0.8 !#A274 2.99E7
assign (resid 2 and name HN) (resid 3 and name HN) 4.0 2.2 1.5 !#A284 6.1E5

!G3
assign (resid 3 and name HN) (resid 2 and name HA) 3.0 1.2 0.8 !#A281 3.2E7
assign (resid 3 and name HN) (resid 2 and name HD#) 4.0 2.2 1.5 !#A282 1.43E5 

assign (resid 3 and name HN) (resid 2 and name HN) 4.0 2.2 1.5 !#A283 1.6E6
assign (resid 3 and name HN) (resid 4 and name HN) 3.0 1.2 0.8 !#A277 1.1E7

!K4
assign (resid 4 and name HN) (resid 3 and name HN) 4.0 2.2 1.5 !#A288 3.3E6 r7 
assign (resid 4 and name HN) (resid 3 and name HA#) 3.0 1.2 0.8 !#A293 1.1E7
assign (resid 4 and name HN) (resid 3 and name HA#) 3.0 1.2 0.8 !#A289 1.43E7
assign (resid 4 and name HN) (resid 5 and name HN) 2.5 0.7 0.4 !#A286 3.6E7 
assign (resid 4 and name HN) (resid 6 and name HN) 4.0 2.2 1.5 !#A287 3.3E7 

!L5

assign (resid 5 and name HN) (resid 4 and name HA) 3.0 1.2 0.8 !#A294 4.2E7
assign (resid 5 and name HN) (resid 4 and name HN) 2.5 0.7 0.4 !#A295 2.4E7 
assign (resid 5 and name HN) (resid 6 and name HN) 2.5 0.7 0.4 !#A296 7.3E7 
assign (resid 5 and name HN) (resid 7 and name HN) 4.0 2.2 1.5 !#A295 2.4E7 

!N6

assign (resid 6 and name HN) (resid 4 and name HN) 4.0 2.2 1.5 !#A297 2.76E7 
assign (resid 6 and name HN) (resid 5 and name HN) 2.5 0.7 0.4 !#A299 2.1E8
assign (resid 6 and name HN) (resid 7 and name HN) 2.5 0.7 0.4 !#A297 2.76E7 
assign (resid 6 and name HN) (resid 8 and name HN) 4.0 2.2 1.5 !#A300 5E6 

assign (resid 6 and name HN) (resid 3 and name HA#) 3.0 1.2 0.8 !#A306 7.7E6 
assign (resid 6 and name HN) (resid 4 and name HA) 4.0 2.2 1.5 !#A304 1.2E7 
assign (resid 6 and name HN) (resid 5 and name HA) 3.0 1.2 0.8 !#A305 9.4E6   

assign (resid 6 and name HN) (resid 5 and name HB#) 3.0 1.2 0.8 !#A308 2.3E7
assign (resid 6 and name HN) (resid 5 and name HB#) 3.0 1.2 0.8 !#A309 2.7E7
assign (resid 6 and name HN) (resid 5 and name HD1#) 4.0 2.2 1.5 !#A310 3.7E6 



!D7

assign (resid 7 and name HN) (resid 6 and name HN) 2.5 0.7 0.4 !#A312 3E7
assign (resid 7 and name HN) (resid 9 and name HN) 4.0 2.2 1.5 !#A312 3E7 
assign (resid 7 and name HN) (resid 8 and name HN) 2.5 0.7 0.4 !#A313 4.1E7
assign (resid 7 and name HN) (resid 5 and name HN) 4.0 2.2 1.5 !#A314 4.5E7 

assign (resid 7 and name HN) (resid 6 and name HA) 4.0 2.2 1.5 !#A OVL D7A 4.5E7 
assign (resid 7 and name HN) (resid 5 and name HA) 4.0 2.2 1.5 !#A1419 4.5E7 
assign (resid 7 and name HN) (resid 4 and name HA) 3.0 1.2 0.8 !#A1418 4.5E7 


!L8
assign (resid 8 and name HN) (resid 6 and name HN) 4.0 2.2 1.5 !#A317 8.35E5
assign (resid 8 and name HN) (resid 9 and name HN) 2.5 0.7 0.4 !#A317 8.35E5 
assign (resid 8 and name HN) (resid 10 and name HN) 4.0 2.2 1.5 !#A318 4E6 
assign (resid 8 and name HN) (resid 7 and name HN) 3.0 1.2 0.8 !#A316 2.1E7

assign (resid 8 and name HN) (resid 7 and name HA) 3.0 1.2 0.8 !#A319 1.34E7
assign (resid 8 and name HN) (resid 6 and name HA) 4.0 2.2 1.5 !#A319 1.34E7 
assign (resid 8 and name HN) (resid 5 and name HA) 3.0 1.2 0.8 !#A320 1.2E7
assign (resid 8 and name HN) (resid 4 and name HA) 4.0 2.2 1.5 !#A17 1.7E7

assign (resid 8 and name HN) (resid 5 and name HD2#) 4.0 2.2 2 !#A322 1.1e7 
assign (resid 8 and name HN) (resid 7 and name HB#) 3.0 1.2 0.8 !#A321 2.5E7
assign (resid 8 and name HN) (resid 5 and name HD1#) 4.0 2.2 1.5 !#A323 1.6E7 

!L9
assign (resid 9 and name HN) (resid 8 and name HN) 2.5 0.7 0.4 !#A329 3.8E7
assign (resid 9 and name HN) (resid 10 and name HN) 2.5 0.7 0.4 !#A330 1.2E8
assign (resid 9 and name HN) (resid 11 and name HN) 4.0 2.2 1.5 !#A331 1.6E9 

assign (resid 9 and name HN) (resid 8 and name HA) 3.0 1.2 0.8 !#A327 
assign (resid 9 and name HN) (resid 6 and name HA) 3.0 1.2 0.8 !#A328 3.9E7
assign (resid 9 and name HN) (resid 7 and name HA) 4.0 2.2 1.5 !#A328 3.9E7 


!E10
assign (resid 10 and name HN) (resid 9 and name HN) 2.5 0.7 0.4 !#A339 4.6E8
assign (resid 10 and name HN) (resid 11 and name HN) 2.5 0.7 0.4 !#A339 4.6E8 
assign (resid 10 and name HN) (resid 12 and name HN) 4.0 2.2 1.5 !#A340 8.8E4 

assign (resid 10 and name HN) (resid 7 and name HA) 3.0 1.2 0.8 !#A332 3.2E7
assign (resid 10 and name HN) (resid 6 and name HA) 4.0 2.2 1.5 !#A332 3.2E7 
assign (resid 10 and name HN) (resid 9 and name HA) 3.0 1.2 0.8 !#A333 2.9E7

assign (resid 10 and name HN) (resid 9 and name HD1#) 4.0 2.2 1.5 !#A336 1.5E7 
assign (resid 10 and name HN) (resid 9 and name HD2#) 4.0 2.2 1.5 !#A336 1.5E7 
assign (resid 10 and name HN) (resid 9 and name HB#) 3.0 1.2 0.8 !#A337 4.2E7 
assign (resid 10 and name HN) (resid 9 and name HG) 4.0 2.2 1.5 !#A335 3.3E7

! D11
assign (resid 11 and name HN) (resid 10 and name HN) 2.5 0.7 0.4 !#A342 8.6E7 
assign (resid 11 and name HN) (resid 12 and name HN) 3.0 1.2 0.8 !#A344 2E7 
assign (resid 11 and name HN) (resid 13 and name HN) 4.0 2.2 1.5 !#A343 2E7 
assign (resid 11 and name HN) (resid 9 and name HN) 4.0 2.2 1.5 !#A345 1.8E9  

assign (resid 11 and name HN) (resid 10 and name HA) 3.0 1.2 0.8 !#1420 
assign (resid 11 and name HN) (resid 9 and name HA) 4.0 2.2 1.5 !#A210  
assign (resid 11 and name HN) (resid 8 and name HA) 4.0 2.2 1.5 !#A1421  
assign (resid 11 and name HN) (resid 7 and name HA) 4.0 2.2 1.5 !#A1422  


!L12
assign (resid 12 and name HN) (resid 11 and name HN) 2.5 0.7 0.4 !#A351 3.4E7 
assign (resid 12 and name HN) (resid 13 and name HN) 2.5 0.7 0.4 !#A353 1.2E8
assign (resid 12 and name HN) (resid 10 and name HN) 4.0 2.2 1.5 !#A352 5.6E6 
assign (resid 12 and name HN) (resid 14 and name HN) 4.0 2.2 1.5 !#A352 5.6E6 

assign (resid 12 and name HN) (resid 8 and name HA) 4.0 2.2 1.5 !#A350 3.2E6
assign (resid 12 and name HN) (resid 11 and name HA) 4.0 2.2 1.5 !#A1425 
assign (resid 12 and name HN) (resid 10 and name HA) 4.0 2.2 1.5 !#A1424 
assign (resid 12 and name HN) (resid 9 and name HA) 3.0 1.2 0.8 !#A 

assign (resid 12 and name HN) (resid 11 and name HB#) 3.0 1.2 0.8 !#A348 2E7
assign (resid 12 and name HN) (resid 11 and name HB#) 3.0 1.2 0.8 !#A349 1.9E7





!Q13
assign (resid 13 and name HN) (resid 12 and name HN) 2.5 0.7 0.4 !#A372 4.3e7 
assign (resid 13 and name HN) (resid 14 and name HN) 2.5 0.7 0.4 !#A371 6.9e7 
assign (resid 13 and name HN) (resid 15 and name HN) 4.0 2.2 1.5 !#A371 6.9e7 

assign (resid 13 and name HN) (resid 11 and name HA) 4.0 2.2 1.5 !#A356 9.1e6 
assign (resid 13 and name HN) (resid 12 and name HA) 3.0 1.2 0.8 !#A1426 
assign (resid 13 and name HN) (resid 10 and name HA) 3.0 1.2 0.8 !#A1427 

assign (resid 13 and name HN) (resid 12 and name HB#) 3.0 1.2 0.8 !#A365 9.7E6 

assign (resid 13 and name HN) (resid 12 and name HB#) 3.0 1.2 0.8 !#A363 7.7E7 


!E14
assign (resid 14 and name HN) (resid 12 and name HN) 4.0 2.2 1.5 !#A380 5.9E6
assign (resid 14 and name HN) (resid 13 and name HN) 2.5 0.7 0.4 !#A381 6.6E7
assign (resid 14 and name HN) (resid 15 and name HN) 2.5 0.7 0.4 !# OVL
assign (resid 14 and name HN) (resid 15 and name HN)4.0 2.2 1.5 !# OVL

assign (resid 14 and name HN) (resid 10 and name HA) 4.0 2.2 1.5 !#A34 1E8 
assign (resid 14 and name HN) (resid 11 and name HA) 3.0 1.2 0.8 !#A376 2.4E7
assign (resid 14 and name HN) (resid 12 and name HA) 4.0 2.2 1.5 !#A1428 

assign (resid 14 and name HN) (resid 13 and name HB#) 3.0 1.2 0.8 !#A255 1.6E7 

!V15
assign (resid 15 and name HN) (resid 14 and name HN) 2.5 0.7 0.4 !# OVL
assign (resid 15 and name HN) (resid 16 and name HN) 2.5 0.7 0.4 !#A393 2.3E8 
assign (resid 15 and name HN) (resid 17 and name HN) 4.0 2.2 1.5 !#A393 2.3E8 
assign (resid 15 and name HN) (resid 13 and name HN) 4.0 2.2 1.5 !#A392 6.9E7 

assign (resid 15 and name HN) (resid 14 and name HA) 3.0 1.2 0.8 !#A385 1.4E8
assign (resid 15 and name HN) (resid 12 and name HA) 3.0 1.2 0.8 !#A386 1E8 
assign (resid 15 and name HN) (resid 11 and name HA) 4.0 2.2 1.5 !#A1429 R8 

assign (resid 15 and name HN) (resid 14 and name HG#) 4.0 2.2 1.5 !#A389 5.3E7 
assign (resid 15 and name HN) (resid 12 and name HD2#) 4.0 2.2 1.5 !#A391 5.3E7 

!L16
assign (resid 16 and name HN) (resid 15 and name HN) 2.5 0.7 0.4 !#A401 2.24E8
assign (resid 16 and name HN) (resid 14 and name HN) 4.0 2.2 1.5 !#A401 2.24E8 
assign (resid 16 and name HN) (resid 17 and name HN) 4.0 2.2 1.5 !#ovl
assign (resid 16 and name HN) (resid 18 and name HN) 4.0 2.2 1.5 !#ovl

assign (resid 16 and name HN) (resid 15 and name HA) 3.0 1.2 0.8 !#A396 8.3E6
assign (resid 16 and name HN) (resid 14 and name HA) 4.0 2.2 1.5 !#A1431 
assign (resid 16 and name HN) (resid 12 and name HA) 4.0 2.2 1.8 !#A1431 
assign (resid 16 and name HN) (resid 13 and name HA) 4.0 2.2 1.5 !#ovl

assign (resid 16 and name HN) (resid 15 and name HB) 3.0 1.2 0.8 !#A397 5.2E7
assign (resid 16 and name HN) (resid 12 and name HD1#) 4.0 2.2 1.5 !#A398 5.1E7 
assign (resid 16 and name HN) (resid 15 and name HG2#) 4.0 2.2 1.5 !#A399 3E7 
assign (resid 16 and name HN) (resid 15 and name HG1#) 4.0 2.2 1.5 !#A341 5.34E7 


! K17

assign (resid 17 and name HN) (resid 16 and name HN) 2.5 0.7 0.4 !# OVL
assign (resid 17 and name HN) (resid 18 and name HN) 2.5 0.7 0.4 !#A406 
assign (resid 17 and name HN) (resid 15 and name HN) 4.0 2.2 1.5 !# OVL
assign (resid 17 and name HN) (resid 19 and name HN) 4.0 2.2 1.5 !#A407 1.1E8


assign (resid 17 and name HN) (resid 16 and name HA) 3.0 1.2 0.8 !#A1432 
assign (resid 17 and name HN) (resid 14 and name HA) 3.0 1.2 0.8 !# OVL K17A
assign (resid 17 and name HN) (resid 15 and name HA) 4.0 2.2 1.5 !# ovl
assign (resid 17 and name HN) (resid 13 and name HA) 4.0 2.2 1.5 !# ovl

assign (resid 17 and name HN) (resid 16 and name HB#) 3.0 1.2 0.8 !#A404 3.14E7 

!N18
assign (resid 18 and name HN) (resid 19 and name HN) 3.0 1.2 0.8 !#A409 2.3E7 
assign (resid 18 and name HN) (resid 17 and name HN) 3.0 1.2 0.8 !#A410 2.1E7 
assign (resid 18 and name HN) (resid 16 and name HN) 4.0 2.2 1.5 !#A410 2.1E7 
assign (resid 18 and name HN) (resid 20 and name HN) 4.0 2.2 1.5 !#ovl

assign (resid 18 and name HN) (resid 17 and name HA) 3.0 1.2 0.8 !#A412 1.5E7
assign (resid 18 and name HN) (resid 15 and name HA) 4.0 2.2 1.5 !#A413 3.8E6 
assign (resid 18 and name HN) (resid 14 and name HA) 4.0 2.2 1.5 !#A412 1.5E7 
assign (resid 18 and name HN) (resid 16 and name HA) 4.0 2.2 1.5 !#A1433 

assign (resid 18 and name HN) (resid 15 and name HG1#) 4.0 2.2 1.5 !#A416 2.35E6 
assign (resid 18 and name HN) (resid 16 and name HD2#) 4.0 2.2 1.5 !#A416 2.35E6 
assign (resid 18 and name HN) (resid 17 and name HB#) 3.0 1.2 0.8 !#A414 2.3E7 
assign (resid 18 and name HN) (resid 17 and name HG#) 4.0 2.2 1.5 !#A415 5.7E6

!L19
assign (resid 19 and name HN) (resid 18 and name HN) 3.0 1.2 0.8 !#A417 1.7E7
assign (resid 19 and name HN) (resid 21 and name HN) 4.0 2.2 1.5 !#A418 2.7E8 
assign (resid 19 and name HN) (resid 17 and name HN) 4.0 2.2 1.5 !#A420 2.9E6
assign (resid 19 and name HN) (resid 20 and name HN) 3.0 1.2 0.8 !#A419 7.4E6

assign (resid 19 and name HN) (resid 18 and name HA) 3.0 1.2 0.8 !#A421 4.34E6 
assign (resid 19 and name HN) (resid 16 and name HA) 3.0 1.2 0.8 !#A422 5.7E6
assign (resid 19 and name HN) (resid 17 and name HA) 4.0 2.2 1.5 !#ovl
assign (resid 19 and name HN) (resid 15 and name HA) 4.0 2.2 1.5 !#ovl


assign (resid 19 and name HN) (resid 17 and name HE#) 4.0 2.2 1.5 !#A424 1.8E5 
assign (resid 19 and name HN) (resid 18 and name HB#) 4.0 2.2 1.5 !#A424 1.8E5
assign (resid 19 and name HN) (resid 16 and name HD1#) 4.0 2.2 1.5 !#A429 6.4E6 
assign (resid 19 and name HN) (resid 18 and name HB#) 4.0 2.2 1.5 !#A423 2.42E6

! H20
assign (resid 20 and name HN) (resid 19 and name HN) 3.0 1.2 0.8  !#A433 1.5E7
assign (resid 20 and name HN) (resid 21 and name HN) 3.0 1.2 0.8 !#A431 2.2E7
assign (resid 20 and name HN) (resid 22 and name HN) 4.0 2.2 1.5 !#A431 2.2E7 
assign (resid 20 and name HN) (resid 18 and name HN) 4.0 2.2 1.5 !#ovl

assign (resid 20 and name HN) (resid 19 and name HA) 3.0 1.2 0.8  !#A434 1.4E7 
assign (resid 20 and name HN) (resid 18 and name HA) 4.0 2.2 1.5 !#A1434 
assign (resid 20 and name HN) (resid 17 and name HA) 4.0 2.2 1.5 !#A434  OVL L19A
assign (resid 20 and name HN) (resid 16 and name HA) 4.0 2.2 1.5 !#ovl 

assign (resid 20 and name HN) (resid 19 and name HB#) 3.0 1.2 0.8 !#A436 1.4E7
assign (resid 20 and name HN) (resid 19 and name HB#) 3.0 1.2 0.8  !#A435 1.35E7

!K21

assign (resid 21 and name HN) (resid 20 and name HN) 3.0 1.2 0.8  !#A439 1.8E7
assign (resid 21 and name HN) (resid 22 and name HN) 2.5 0.7 0.4 !#A437 5.1E7
assign (resid 21 and name HN) (resid 19 and name HN) 4.0 2.2 1.5  !#A440 1.2E8
assign (resid 21 and name HN) (resid 23 and name HN) 4.0 2.2 1.5  !#A440 1.2E8 

assign (resid 21 and name HN) (resid 18 and name HA) 3.0 1.2 0.8 !#A442 6.3E6 
assign (resid 21 and name HN) (resid 19 and name HA) 4.0 2.2 1.5 !#A443 1E7
assign (resid 21 and name HN) (resid 20 and name HA) 3.0 1.2 0.8 !#ovl
assign (resid 21 and name HN) (resid 17 and name HA) 4.0 2.2 1.5 !#ovl

assign (resid 21 and name HN) (resid 17 and name HG#) 4.0 2.2 1.5 !#A47 1.6E7 

assign (resid 21 and name HN) (resid 20 and name HB#) 3.0 1.2 0.8  !#A445 2.9E7

!N22

assign (resid 22 and name HN) (resid 20 and name HN) 4.0 2.2 1.5 !#A447 1.2E6
assign (resid 22 and name HN) (resid 23 and name HN) 3.0 1.2 0.8 !#A449 2.6E7
assign (resid 22 and name HN) (resid 21 and name HN) 2.5 0.7 0.4 !#A448 6.7E7 

assign (resid 22 and name HN) (resid 19 and name HA) 3.0 1.2 0.8 !#A454 9.8E6
assign (resid 22 and name HN) (resid 21 and name HA) 3.0 1.2 0.8 !#A453 8.9E6
assign (resid 22 and name HN) (resid 20 and name HA) 4.0 2.2 1.5 !#ovl
assign (resid 22 and name HN) (resid 18 and name HA) 4.0 2.2 1.5 !#ovl

assign (resid 22 and name HN) (resid 21 and name HG#) 4.0 2.2 1.5 !#A457 5.1E6 
assign (resid 22 and name HN) (resid 21 and name HB#) 3.0 1.2 0.8 !#A455 2.05E7

!W23
assign (resid 23 and name HN) (resid 22 and name HN) 2.5 0.7 0.4 !#A459 5.0E7
assign (resid 23 and name HN) (resid 24 and name HN) 4.0 2.2 1.5 !#A461 -1.97E6 r7
assign (resid 23 and name HN) (resid 21 and name HN) 4.0 2.2 1.5 !ovl

assign (resid 23 and name HN) (resid 22 and name HA) 3.0 1.2 0.8 !#A464 5.23E6
assign (resid 23 and name HN) (resid 19 and name HA) 4.0 2.2 1.5 !#A516 3.3E6
assign (resid 23 and name HN) (resid 20 and name HA) 3.0 1.2 0.8 !#A465 1.6E7 
assign (resid 23 and name HN) (resid 21 and name HA) 4.0 2.2 1.5 !#ovl

assign (resid 23 and name HN) (resid 19 and name HD2#) 4.0 2.2 1.5 !#A467 3.25E6 
assign (resid 23 and name HN) (resid 22 and name HB#) 3.0 1.2 0.8 !#A466 9.94E6
assign (resid 23 and name HE1) (resid 21 and name HE#) 4.0 2.2 2 !#A1390 3.84E6 


!H24
assign (resid 24 and name HN) (resid 23 and name HA) 3.0 1.2 0.8 !#A473 5.65E7 
assign (resid 24 and name HN) (resid 25 and name HN) 3.0 1.2 0.8 !#A470 8.39E6
assign (resid 24 and name HN) (resid 23 and name HN) 4.0 2.2 1.5 !ovl

!G25
assign (resid 25 and name HN) (resid 24 and name HN) 4.0 2.2 1.5 !#A1108 7.2E6
assign (resid 25 and name HN) (resid 26 and name HN) 4.0 2.2 1.5 !#A1107 3.98E6

assign (resid 25 and name HN) (resid 24 and name HA) 3.0 1.2 0.8 !#A1112 2.83E7
assign (resid 25 and name HN) (resid 23 and name HA) 4.0 2.2 1.5 !#A1438 

assign (resid 25 and name HN) (resid 24 and name HB#) 4.0 2.2 1.5 !#A1113 2.32E6
assign (resid 25 and name HN) (resid 24 and name HB#) 4.0 2.2 1.5 !#A1114 2.29E6
assign (resid 25 and name HN) (resid 23 and name HE1) 4.0 2.2 1.5 !#A1106 9.93E5
assign (resid 25 and name HN) (resid 24 and name HD2) 3.0 1.2 0.8 !#A1110 1.53E7 

!G26
assign (resid 26 and name HN) (resid 25 and name HN) 4.0 2.2 1.5 !#A478 3.55E6
assign (resid 26 and name HN) (resid 25 and name HA#) 3.0 1.2 0.8 !#A476 1.54E7
assign (resid 26 and name HN) (resid 23 and name HE1) 4.0 2.2 1.5 !#A480 8.7E5
assign (resid 26 and name HN) (resid 25 and name HA#) 3.0 1.2 0.8 !#A477 1.87E7
assign (resid 26 and name HN) (resid 27 and name HN) 3.0 1.2 1.0 !#A479 2.6E8

!K27
assign (resid 27 and name HN) (resid 26 and name HN) 3.0 1.2 1.0 !#A481 3.5E8 
assign (resid 27 and name HN) (resid 28 and name HN) 3.0 1.2 0.8 !#A482 2.3E7 
assign (resid 27 and name HN) (resid 29 and name HN) 4.0 2.2 1.5 !#A485 2.1E6 
assign (resid 27 and name HN) (resid 26 and name HA#) 3.0 1.2 0.8 !#A488 7.5E7 

!D28
assign (resid 28 and name HN) (resid 27 and name HN) 3.0 1.2 0.8 !#A493 2.54E7
assign (resid 28 and name HN) (resid 29 and name HN) 3.0 1.2 0.8 !#A491 2.1E7
assign (resid 28 and name HN) (resid 30 and name HN) 4.0 2.2 1.5 !#A492 7.7e5 

assign (resid 28 and name HN) (resid 27 and name HA) 3.0 1.2 0.8 !#A497 1.22E7
assign (resid 28 and name HN) (resid 26 and name HA#) 4.0 2.2 1.5 !#A496 8.4E6

assign (resid 28 and name HN) (resid 27 and name HB#) 3.0 1.2 0.8 !#A498 1.5E7
assign (resid 28 and name HN) (resid 27 and name HG#) 4.0 2.2 1.5 !#A499 5.1E6 

!N29
assign (resid 29 and name HN) (resid 28 and name HN) 3.0 1.2 0.8 !#A503 3.4E7
assign (resid 29 and name HN) (resid 30 and name HN) 3.0 1.2 0.8 !#A502 2.2E7
assign (resid 29 and name HN) (resid 31 and name HN) 4.0 2.2 1.5 !#A507 R8 AD
assign (resid 29 and name HN) (resid 27 and name HN) 4.0 2.2 1.5 !#A504 1.4E7 

assign (resid 29 and name HN) (resid 25 and name HA#) 4.0 2.2 2.0 !#A506 8.83E6
assign (resid 29 and name HN) (resid 28 and name HA) 3.0 1.2 0.8 !#A509 4E7

assign (resid 29 and name HN) (resid 27 and name HG#) 4.0 2.2 1.5 !#A513 4.99E6 
assign (resid 29 and name HN) (resid 28 and name HB#) 3.0 1.2 0.8 !#A511 3.8E7
assign (resid 29 and name HN) (resid 28 and name HB#) 3.0 1.2 0.8 !#A512 2.2E7

!L30
assign (resid 30 and name HN) (resid 29 and name HN) 3.0 1.2 0.8 !#A1095 7.93E6 r7
assign (resid 30 and name HN) (resid 28 and name HN) 4.0 2.2 1.5 !#A1097 -1.6e6 
assign (resid 30 and name HN) (resid 31 and name HN) 3.0 1.2 0.8 !#A1094 1.47E7
assign (resid 30 and name HN) (resid 32 and name HN) 4.0 2.2 1.5 !#A1094 1.47E7  

assign (resid 30 and name HN) (resid 28 and name HA) 4.0 2.2 1.5 !#A1100 9.9E5 
assign (resid 30 and name HN) (resid 27 and name HA) 4.0 2.2 1.5 !#A1098 4.14E6
assign (resid 30 and name HN) (resid 29 and name HA) 3.0 1.2 0.8 !#A1099 8E6

assign (resid 30 and name HN) (resid 23 and name HE1) 4.0 2.2 1.5 !#A1096 2.5e6 
assign (resid 30 and name HN) (resid 29 and name HB#) 4.0 2.2 1.5 !#A1103 7.77E6
assign (resid 30 and name HN) (resid 29 and name HB#) 3.0 1.2 0.8 !#A72 2.27E7 
assign (resid 30 and name HN) (resid 27 and name HG#) 3.0 1.2 1.2 !#A73 2.8E7 


assign (resid 30 and name HD2#) (resid 20 and name HN) 4.0 2.2 1.5 !#B2125 2.7E6  
assign (resid 30 and name HD2#) (resid 23 and name HB#) 4.0 2.2 1.5 !#B2127 1.3E7 
assign (resid 30 and name HD2#) (resid 23 and name HB#) 4.0 2.2 1.5 !#B2128 8.7E6 
assign (resid 30 and name HD2#) (resid 19 and name HA) 4.0 2.2 1.5 !#B2129 1.5e7 
assign (resid 30 and name HD2#) (resid 20 and name HA) 4.0 2.2 1.5 !#B2130 1.1e7 
assign (resid 30 and name HD2#) (resid 68 and name HG#) 4.0 2.2 1.5 !#B2131 1.44E7 
assign (resid 30 and name HD2#) (resid 19 and name HG#) 4.0 2.2 1.5 !#B2131 1.44E7 
assign (resid 30 and name HD2#) (resid 19 and name HB#) 4.0 2.2 1.5 !#B2133 1.11E7 
assign (resid 30 and name HD2#) (resid 33 and name HB) 4.0 2.2 1.5 !#B2134 1.25E7 
assign (resid 30 and name HD2#) (resid 71 and name HD1#) 4.0 2.2 1.5 !#B2135 5.8E7 
assign (resid 30 and name HD2#) (resid 19 and name HD2#) 4.0 2.2 1.5 !#B2135 5.8E7  OVL
assign (resid 30 and name HD2#) (resid 19 and name HD1#) 4.0 2.2 1.5 !#B2136 4.8E7 
assign (resid 30 and name HD2#) (resid 20 and name HB#) 4.0 2.2 2.0 !#B2140 1.7E7 


!H31
assign (resid 31 and name HN) (resid 30 and name HN) 3.0 1.2 0.8 !#A530 2.2E7
assign (resid 31 and name HN) (resid 32 and name HN) 3.0 1.2 0.8 !#A531 6.6E8 
assign (resid 31 and name HN) (resid 29 and name HN) 4.0 2.2 1.5 !# ovl
assign (resid 31 and name HN) (resid 33 and name HN) 4.0 2.2 1.5 !# ovl

assign (resid 31 and name HN) (resid 29 and name HA) 4.0 2.2 1.5 !#A529 2.96E6
assign (resid 31 and name HN) (resid 30 and name HA) 3.0 1.2 0.8 !#A525 1.8E7
assign (resid 31 and name HN) (resid 28 and name HA) 3.0 1.2 0.8 !#A527 7E6
assign (resid 31 and name HN) (resid 27 and name HA) 4.0 2.2 1.5 !#ovl

assign (resid 31 and name HN) (resid 30 and name HG) 4.0 2.2 1.5 !#A522 1E7 
assign (resid 31 and name HN) (resid 30 and name HD1#) 4.0 2.2 1.5 !#A521 7.45E6 
assign (resid 31 and name HN) (resid 30 and name HB#) 3.0 1.2 0.8 !#A523 1.76E7
assign (resid 31 and name HN) (resid 30 and name HD2#) 4.0 2.2 1.5 !#A520 2.7E5 

!D32
assign (resid 32 and name HN) (resid 34 and name HN) 4.0 2.2 1.5 !#A537 3.4E6

assign (resid 32 and name HN) (resid 29 and name HA) 3.0 1.2 0.8 !#A534 7.7E6
assign (resid 32 and name HN) (resid 31 and name HA) 3.0 1.2 0.8 !#A534 7.7E6

assign (resid 32 and name HN) (resid 31 and name HB#) 3.0 1.2 0.8 !#A535 1.9E7


!V33
assign (resid 33 and name HN) (resid 32 and name HN) 2.5 0.7 0.4 !#A539 7.24E7
assign (resid 33 and name HN) (resid 31 and name HN) 4.0 2.2 1.5 !#A539 7.24E7 
assign (resid 33 and name HN) (resid 35 and name HN) 4.0 2.2 1.5 !#A539 7.24E7 
assign (resid 33 and name HN) (resid 34 and name HN) 3.0 1.2 0.8 !#A540 2.1E7

assign (resid 33 and name HN) (resid 29 and name HA) 4.0 2.2 1.5 !#A542 2.1E6
assign (resid 33 and name HN) (resid 32 and name HA) 3.0 1.2 0.8 !#A543 2.6E7
assign (resid 33 and name HN) (resid 31 and name HA) 4.0 2.2 1.5 !#A543 2.6E7 
assign (resid 33 and name HN) (resid 30 and name HA) 3.0 1.2 0.8 !#A546 R8 OVL D32B

assign (resid 33 and name HN) (resid 32 and name HB#) 3.0 1.2 0.8 !#A547 2.53E7
assign (resid 33 and name HN) (resid 30 and name HD1#) 4.0 2.2 1.5 !#A549 2.1E6 

!D34
assign (resid 34 and name HN) (resid 33 and name HN) 2.5 0.7 0.4 !#A551 4.4E7
assign (resid 34 and name HN) (resid 35 and name HN) 2.5 0.7 0.4 !#A552 4.8E7 
assign (resid 34 and name HN) (resid 32 and name HN) 4.0 2.2 1.5 !#A552 4.8E7 
assign (resid 34 and name HN) (resid 36 and name HN) 4.0 2.2 1.5 !#A550 4.9E8 

assign (resid 34 and name HN) (resid 33 and name HA) 3.0 1.2 0.8 !#A559 7.4E6
assign (resid 34 and name HN) (resid 30 and name HA) 4.0 2.2 1.5 !#A558 1.2E7 
assign (resid 34 and name HN) (resid 31 and name HA) 3.0 1.2 0.8 !#A560 1.63E7

assign (resid 34 and name HN) (resid 30 and name HD2#) 4.0 2.2 1.5 !#A553 3.5E6
assign (resid 34 and name HN) (resid 30 and name HD1#) 4.0 2.2 1.5 !#A554 1E6
assign (resid 34 and name HN) (resid 33 and name HG1#) 3.0 1.2 0.8 !#A555 2.8E7
assign (resid 34 and name HN) (resid 33 and name HG2#) 4.0 2.2 1.5 !#A556 8.6E6
assign (resid 34 and name HN) (resid 33 and name HB) 3.0 1.2 0.8 !#A557 3.45E7

!N35

assign (resid 35 and name HN) (resid 34 and name HN) 2.5 0.7 0.4 !#A563 4.4E7
assign (resid 35 and name HN) (resid 36 and name HN) 2.5 0.7 0.4 !#A563 4.4E7 
assign (resid 35 and name HN) (resid 37 and name HN) 4.0 2.2 1.5 !#A564 5.1E5 

assign (resid 35 and name HN) (resid 31 and name HA) 4.0 2.2 1.5 !#A269 5.12E7
assign (resid 35 and name HN) (resid 34 and name HA) 3.0 1.2 0.8 !#A562 1.4E7
assign (resid 35 and name HN) (resid 33 and name HA) 4.0 2.2 1.5 !#A1440 R8 AD
assign (resid 35 and name HN) (resid 32 and name HA) 3.0 1.2 0.8 !#A OVL N35A

assign (resid 35 and name HN) (resid 34 and name HB#)4.0 2.2 1.5 !#A270 9.3E7 

!H36
assign (resid 36 and name HN) (resid 35 and name HN) 3.0 1.2 0.8 !#A565 1.9E7
assign (resid 36 and name HN) (resid 37 and name HN) 3.0 1.2 0.8 !#A566 1.85E7
assign (resid 36 and name HN) (resid 34 and name HN) 4.0 2.2 1.5 !#A567 2.8E7 
assign (resid 36 and name HN) (resid 38 and name HN) 4.0 2.2 1.5 !#A567 2.8E7 

assign (resid 36 and name HN) (resid 35 and name HA) 3.0 1.2 0.8 !#A569 1E7
assign (resid 36 and name HN) (resid 33 and name HA) 3.0 1.2 0.8 !#A571 6.25E6
assign (resid 36 and name HN) (resid 34 and name HA) 4.0 2.2 1.5 !#A570 1.8E6

assign (resid 36 and name HN) (resid 35 and name HB#) 3.0 1.2 0.8 !#A572 3.5E7

!L37
assign (resid 37 and name HN) (resid 36 and name HN) 3.0 1.2 0.8 !#A577 2.14E7
assign (resid 37 and name HN) (resid 38 and name HN) 3.0 1.2 0.8 !#A576 2.4E7
assign (resid 37 and name HN) (resid 35 and name HN) 4.0 2.2 1.5 !#A578 4.1E5


assign (resid 37 and name HN) (resid 34 and name HA) 3.0 1.2 0.8 !#R11B OVL F47A
assign (resid 37 and name HN) (resid 33 and name HA) 4.0 2.2 1.5 !#A585 2E6
assign (resid 37 and name HN) (resid 36 and name HA) 3.0 1.2 0.8 !#A586 4.4E6

assign (resid 37 and name HN) (resid 36 and name HB#) 4.0 2.2 1.5 !#A584 8E6
assign (resid 37 and name HN) (resid 33 and name HG2#) 4.0 2.2 1.5 !#A581 8.1E6

!Q38
assign (resid 38 and name HN) (resid 37 and name HN) 3.0 1.2 0.8 !#A588 2E7
assign (resid 38 and name HN) (resid 39 and name HN) 2.5 0.7 0.4 !#A589 3.2e7 
assign (resid 38 and name HN) (resid 40 and name HN) 4.0 2.2 1.5 !#A589 3.2e7 

assign (resid 38 and name HN) (resid 35 and name HA) 3.0 1.2 0.8 !#A598 3.1E7
assign (resid 38 and name HN) (resid 37 and name HA) 3.0 1.2 0.8 !#ovl
assign (resid 38 and name HN) (resid 36 and name HA) 4.0 2.2 1.5 !#ovl
assign (resid 38 and name HN) (resid 34 and name HA) 4.0 2.2 1.5 !#ovl

assign (resid 38 and name HN) (resid 37 and name HD2#) 4.0 2.2 1.5 !#A595 2.3E7 
assign (resid 38 and name HN) (resid 37 and name HG) 3.0 1.2 0.8 !#A593 2.5E7 
assign (resid 38 and name HN) (resid 37 and name HB#) 3.0 1.2 0.8 !#A594 2.1E7

!N39
assign (resid 39 and name HN) (resid 38 and name HN) 2.5 0.7 0.4 !#A612 4E7
assign (resid 39 and name HN) (resid 40 and name HN) 2.5 0.7 0.4 !#A613 4E8
assign (resid 39 and name HN) (resid 41 and name HN) 4.0 2.2 1.5 !#A613 4E8 
assign (resid 39 and name HN) (resid 37 and name HN) 4.0 2.2 1.5 !#A611 5.9E5 

assign (resid 39 and name HN) (resid 36 and name HA) 3.0 1.2 0.8 !#A602 7.6E6 
assign (resid 39 and name HN) (resid 35 and name HA) 4.0 2.2 1.5 !#A604 4E6
assign (resid 39 and name HN) (resid 38 and name HA) 3.0 1.2 0.8 !#A603 6.6E7 

assign (resid 39 and name HN) (resid 38 and name HG#) 4.0 2.2 1.5 !#A606 1.5E7 
assign (resid 39 and name HN) (resid 38 and name HG#) 4.0 2.2 1.5 !#A607 9.9E6 
assign (resid 39 and name HN) (resid 38 and name HB#) 3.0 1.2 0.8 !#A605 1E8 OVL

!V40

assign (resid 40 and name HN) (resid 39 and name HN) 2.5 0.7 0.4 !#A ovl
assign (resid 40 and name HN) (resid 41 and name HN) 2.5 0.7 0.4 !#A  ovl
assign (resid 40 and name HN) (resid 42 and name HN) 4.0 2.2 1.5 !#A ovl
assign (resid 40 and name HN) (resid 38 and name HN) 4.0 2.2 1.5 !#A622 1.8E7 

assign (resid 40 and name HN) (resid 36 and name HA) 4.0 2.2 1.5 !#A614 8.14E6
assign (resid 40 and name HN) (resid 37 and name HA) 3.0 1.2 0.8 !#A616 6.1E7
assign (resid 40 and name HN) (resid 39 and name HA) 3.0 1.2 0.8 !#A615 2.7E7

assign (resid 40 and name HN) (resid 39 and name HB#) 3.0 1.2 0.8 !#A617 1.9E7
assign (resid 40 and name HN) (resid 37 and name HD2#) 4.0 2.2 1.5 !#A621 7.2E7 
assign (resid 40 and name HN) (resid 39 and name HB#) 3.0 1.2 0.8 !#A618 1.4E7



!I41

assign (resid 41 and name HN) (resid 40 and name HN) 3.0 1.2 0.8 !#A632 2E7 
assign (resid 41 and name HN) (resid 42 and name HN) 3.0 1.2 0.8 !#A632 2E7 
assign (resid 41 and name HN) (resid 39 and name HN) 4.0 2.2 1.5 !#A632 2E7 
assign (resid 41 and name HN) (resid 43 and name HN) 4.0 2.2 1.5 !#A632 2E7 

assign (resid 41 and name HN) (resid 40 and name HA) 3.0 1.2 0.8 !#A624 2.1E7
assign (resid 41 and name HN) (resid 38 and name HA) 3.0 1.2 0.8 !#A631 3.14E7


assign (resid 41 and name HN) (resid 37 and name HD1#) 4.0 2.2 1.5 !#A629 7.6E7 
assign (resid 41 and name HN) (resid 40 and name HB) 3.0 1.2 0.8 !#A625 1.4E8 
assign (resid 41 and name HN) (resid 40 and name HG2#) 4.0 2.2 1.5 !#A627 3.8E7 
assign (resid 41 and name HN) (resid 40 and name HG1#) 4.0 2.2 1.5 !#A630 3.6E7 

!E42

assign (resid 42 and name HN) (resid 43 and name HN) 2.5 0.7 0.4 !#A639 3.54E7
assign (resid 42 and name HN) (resid 44 and name HN) 3.0 1.2 0.8 !#A639 3.54E7 


assign (resid 42 and name HN) (resid 41 and name HA) 3.0 1.2 0.8 !#A634 1.4E7
assign (resid 42 and name HN) (resid 39 and name HA) 3.0 1.2 0.8 !#A633 6.1E7
assign (resid 42 and name HN) (resid 40 and name HA) 4.0 2.2 1.5 !#A635 3.9e7 

assign (resid 42 and name HN) (resid 41 and name HB) 3.0 1.2 0.8 !#A636 1.9E8

!D43
assign (resid 43 and name HN) (resid 44 and name HN) 2.5 0.7 0.4 !#A651 1.4E8 
assign (resid 43 and name HN) (resid 45 and name HN) 4.0 2.2 1.5 !#A652 1.4E7 

assign (resid 43 and name HN) (resid 42 and name HA) 3.0 1.2 0.8 !#A640 3.8E7 
assign (resid 43 and name HN) (resid 40 and name HA) 3.0 1.2 0.8 !#A641 1E7 

assign (resid 43 and name HN) (resid 40 and name HG2#) 4.0 2.2 1.5 !#A645 6.2E6 
assign (resid 43 and name HN) (resid 40 and name HG1#) 4.0 2.2 1.5 !#A646 6.3E6 
assign (resid 43 and name HN) (resid 42 and name HB#)3.0 1.2 0.8 !#A647 5.2E7 
assign (resid 43 and name HN) (resid 42 and name HG#)3.0 1.2 0.8 !#A648 1.3E7

!I44

assign (resid 44 and name HN) (resid 42 and name HN) 4.0 2.2 1.5 !#A666 5.8E6
assign (resid 44 and name HN) (resid 45 and name HN) 3.0 1.2 0.8 !#A665 3.9E7

assign (resid 44 and name HN) (resid 40 and name HA) 4.0 2.2 1.5 !#A661 8.9E6
assign (resid 44 and name HN) (resid 41 and name HA) 3.0 1.2 0.8 !#A659 1.3E7
assign (resid 44 and name HN) (resid 43 and name HA) 3.0 1.2 0.8 !#A662 7.5E6
assign (resid 44 and name HN) (resid 42 and name HA) 4.0 2.2 1.5 !#A663 2.13E7

assign (resid 44 and name HN) (resid 41 and name HG2#) 4.0 2.2 1.5 !#A653 2.7E7 
assign (resid 44 and name HN) (resid 40 and name HG1#) 4.0 2.2 1.5 !#A654 1.33E7 
assign (resid 44 and name HN) (resid 43 and name HB#) 4.0 2.2 1.5 !#A658 8.35E6

!H45
assign (resid 45 and name HN) (resid 46 and name HN) 2.5 0.7 0.4 !#A667 5.4E7
assign (resid 45 and name HN) (resid 44 and name HN) 2.5 0.7 0.4 !#A667 5.4E7 
assign (resid 45 and name HN) (resid 43 and name HN) 4.0 2.2 1.5 !#A667 5.4E7 

assign (resid 45 and name HN) (resid 44 and name HA) 3.0 1.2 0.8 !#A675 7.6E6 
assign (resid 45 and name HN) (resid 42 and name HA) 3.0 1.2 0.8 !#A676 1.7E7

assign (resid 45 and name HN) (resid 44 and name HG2#) 4.0 2.2 1.5 !#A670 2.5E7 
assign (resid 45 and name HN) (resid 44 and name HG1#) 4.0 2.2 1.5 !#A672 2.95E6
assign (resid 45 and name HN) (resid 44 and name HD1#) 4.0 2.2 1.5 !#A672 2.95E6
assign (resid 45 and name HN) (resid 44 and name HB) 3.0 1.2 0.8 !#A669 3.7E7

!D46
assign (resid 46 and name HN) (resid 45 and name HN) 2.5 0.7 0.4 !#A677 5.4E7
assign (resid 46 and name HN) (resid 47 and name HN) 2.5 0.7 0.4 !#A678 4.44E7
assign (resid 46 and name HN) (resid 48 and name HN) 4.0 2.2 1.5 !#A678 4.44E7 
assign (resid 46 and name HN) (resid 44 and name HN) 4.0 2.2 1.5 !# OVL

assign (resid 46 and name HN) (resid 42 and name HA) 4.0 2.2 1.5 !#A681 3.6E7
assign (resid 46 and name HN) (resid 45 and name HA) 3.0 1.2 0.8 !#A ovl D46A 
assign (resid 46 and name HN) (resid 44 and name HA) 4.0 2.2 1.5 !#A1441 
assign (resid 46 and name HN) (resid 43 and name HA) 3.0 1.2 0.8 !#A OVL D46A 

assign (resid 46 and name HN) (resid 45 and name HB#) 3.0 1.2 0.8 !#A680 3.8E7


!F47

assign (resid 47 and name HN) (resid 48 and name HN) 2.5 0.7 0.4 !#A690 6.5E8
assign (resid 47 and name HN) (resid 45 and name HN) 4.0 2.2 1.5 !#A689 7.2E7 
assign (resid 47 and name HN) (resid 49 and name HN) 4.0 2.2 1.5 !#A691 4E6 
assign (resid 47 and name HN) (resid 46 and name HN) 3.0 1.2 0.8 !#A688 2.4E7

assign (resid 47 and name HN) (resid 43 and name HA) 4.0 2.2 1.5 !#A682 1.4E7 
assign (resid 47 and name HN) (resid 44 and name HA) 3.0 1.2 0.8 !#A683 8.4E6
assign (resid 47 and name HN) (resid 46 and name HA) 3.0 1.2 0.8 !#A682 1.4E7 

assign (resid 47 and name HN) (resid 46 and name HB#) 3.0 1.2 0.8 !#A685 1.2E7
assign (resid 47 and name HN) (resid 44 and name HG2#) 4.0 2.2 1.5 !#A686 7.84E6
assign (resid 47 and name HN) (resid 45 and name HD2) 4.0 2.2 1.5 !#A694 7.22E6 

!M48
assign (resid 48 and name HN) (resid 49 and name HN) 3.0 1.2 0.8 !#A375 2.13E7
assign (resid 48 and name HN) (resid 46 and name HN) 4.0 2.2 1.5 !#A373 1.56E7

assign (resid 48 and name HN) (resid 44 and name HA) 4.0 2.2 1.5 !#A357 1.1E7
assign (resid 48 and name HN) (resid 45 and name HA) 3.0 1.2 0.8 !#A370 1.4E7 
assign (resid 48 and name HN) (resid 47 and name HA) 3.0 1.2 0.8 !#A203 OVL

assign (resid 48 and name HN) (resid 47 and name HB#) 3.0 1.2 0.8 !#A358 2.1E7
assign (resid 48 and name HN) (resid 47 and name HB#) 3.0 1.2 0.8 !#A359 1.42E7





!Q49
assign (resid 49 and name HN) (resid 47 and name HN) 4.0 2.2 1.5 !#A696 2.62E7
assign (resid 49 and name HN) (resid 48 and name HN) 4.0 2.2 1.5 !#A696 2.62E7 OVL
assign (resid 49 and name HN) (resid 50 and name HN) 2.5 0.7 0.4 !A698 3.12E8

assign (resid 49 and name HN) (resid 47 and name HA) 4.0 2.2 1.5 !#A695 2.13E7
assign (resid 49 and name HN) (resid 48 and name HA) 4.0 2.2 1.5 !#A695 2.13E7 

assign (resid 49 and name HN) (resid 48 and name HB#) 3.0 1.2 0.8 !#A207 4.9E7

!G50
assign (resid 50 and name HN) (resid 47 and name HN) 4.0 2.2 1.5 !#A708 1.11E6 
assign (resid 50 and name HN) (resid 48 and name HN) 4.0 2.2 1.5 !#A708 1.11E6
assign (resid 50 and name HN) (resid 49 and name HN) 2.5 0.7 0.4 !#A707 5.45E7

assign (resid 50 and name HN) (resid 49 and name HA) 3.0 1.2 0.8 !#A699 1.3E7

assign (resid 50 and name HN) (resid 49 and name HB#) 4.0 2.2 1.5 !#A702 8.56E6
assign (resid 50 and name HN) (resid 49 and name HB#) 4.0 2.2 1.5 !#A703 8.86E6
assign (resid 50 and name HN) (resid 51 and name HN) 3.0 1.2 0.8 !#A706 2.8E7

!G51
assign (resid 51 and name HN) (resid 49 and name HN) 3.0 1.2 0.8 !#A712 2.4E7
assign (resid 51 and name HN) (resid 50 and name HN) 3.0 1.2 0.8 !#A713 3.43E7
assign (resid 51 and name HN) (resid 47 and name HN) 4.0 2.2 1.5 !#A714 3.2E6

assign (resid 51 and name HN) (resid 50 and name HA#) 3.0 1.2 0.8 !#A709 1.27E7
assign (resid 51 and name HN) (resid 49 and name HA) 4.0 2.2 1.5 !#A710 2E6
assign (resid 51 and name HN) (resid 49 and name HB#) 4.0 2.2 1.5 !#A711 1.97E6

!G52

assign (resid 52 and name HN) (resid 51 and name HN) 2.5 0.7 0.4 !#A718 4.15E8
assign (resid 52 and name HN) (resid 53 and name HN) 4.0 2.2 1.5 !#A717 4.4E6

assign (resid 52 and name HN) (resid 51 and name HA#) 3.0 1.2 0.8 !#A715 1.44E7
assign (resid 52 and name HN) (resid 50 and name HA#) 3.0 1.2 0.8 !#A716 1.62E7
assign (resid 52 and name HN) (resid 51 and name HA#) 3.0 1.2 0.8 !#A719 2.97E7

!S53
assign (resid 53 and name HN) (resid 52 and name HN) 4.0 2.2 1.5 !#A1119 5.1E6
assign (resid 53 and name HN) (resid 52 and name HA#) 3.0 1.2 0.8 !#A1128 3.44E7
assign (resid 53 and name HN) (resid 52 and name HA#) 3.0 1.2 0.8 !#A1129 3.48E7
assign (resid 53 and name HN) (resid 54 and name HN) 4.0 2.2 1.5 !#A1117 2.6E6

!G54
assign (resid 54 and name HN) (resid 53 and name HA) 3.0 1.2 0.8 !#A1132 1.57E7
assign (resid 54 and name HN) (resid 50 and name HA#) 4.0 2.2 1.5 !#A1135 5.2E7
assign (resid 54 and name HN) (resid 55 and name HN) 4.0 2.2 1.5 !#A1130 9.2E6

!G55
assign (resid 55 and name HN) (resid 54 and name HN) 3.0 1.2 0.8 !#A726 1.2E7
assign (resid 55 and name HN) (resid 56 and name HN) 3.0 1.2 0.8 !#A725 1.9E7
assign (resid 55 and name HN) (resid 54 and name HA#) 3.0 1.2 0.8 !#A723 2.14E7 

!K56
assign (resid 56 and name HN) (resid 55 and name HA#) 3.0 1.2 0.8 !#A730 2.7E7
assign (resid 56 and name HN) (resid 53 and name HA) 4.0 2.2 1.5 !#A731 9.2E6 

assign (resid 56 and name HN) (resid 53 and name HN) 4.0 2.2 1.5 !#A732 3.4E6
assign (resid 56 and name HN) (resid 55 and name HN) 3.0 1.2 0.8 !#A734 1.26E7
assign (resid 56 and name HN) (resid 57 and name HN) 3.0 1.2 0.8 !#A733 2.2E7
assign (resid 56 and name HN) (resid 58 and name HN) 4.0 2.2 1.5 !#A733 2.2E7 

!L57
assign (resid 57 and name HN) (resid 55 and name HN) 4.0 2.2 1.5 !#A739 1.5E6
assign (resid 57 and name HN) (resid 56 and name HN) 2.5 0.7 0.4 !#A740 9.8E7
assign (resid 57 and name HN) (resid 58 and name HN) 2.5 0.7 0.4 !#A737 7.54E7
assign (resid 57 and name HN) (resid 59 and name HN) 4.0 2.2 1.5 !#A740 9.8E7 

!Q58
assign (resid 58 and name HN) (resid 56 and name HN) 4.0 2.2 1.5 !#A751 6.3E7 
assign (resid 58 and name HN) (resid 59 and name HN) 2.5 0.7 0.4 !#A751 6.3E7 
assign (resid 58 and name HN) (resid 57 and name HN) 2.5 0.7 0.4 !#A752 7.8E7
assign (resid 58 and name HN) (resid 60 and name HN) 4.0 2.2 1.5 !#A753 4.5E6 

assign (resid 58 and name HN) (resid 57 and name HA) 3.0 1.2 0.8 !#A750 3E7

assign (resid 58 and name HN) (resid 57 and name HD2#) 4.0 2.2 1.5 !#A748 9.6E6 
assign (resid 58 and name HN) (resid 57 and name HB#) 3.0 1.2 0.8 !#A747 2.0E7

!E59
assign (resid 59 and name HN) (resid 57 and name HN) 4.0 2.2 1.5 !#A759 2.3E6
assign (resid 59 and name HN) (resid 60 and name HN) 3.0 1.2 0.8 !#A761 1.8E7
assign (resid 59 and name HN) (resid 58 and name HN) 2.5 0.7 0.4 !#A758 5.6E7

assign (resid 59 and name HN) (resid 56 and name HA) 3.0 1.2 0.8 !#A754 3.14E7
assign (resid 59 and name HN) (resid 58 and name HA) 3.0 1.2 0.8 !#A OVL E59A 
assign (resid 59 and name HN) (resid 57 and name HA) 4.0 2.2 1.5 !#A OVL E59A 

assign (resid 59 and name HN) (resid 58 and name HB#) 4.0 2.2 1.5 !#A141 9.1E7 

!M60
assign (resid 60 and name HN) (resid 61 and name HN) 2.5 0.7 0.4 !#A763 4.35E7
assign (resid 60 and name HN) (resid 59 and name HN) 3.0 1.2 0.8 !#A762 2.2E7

assign (resid 60 and name HN) (resid 56 and name HA) 4.0 2.2 1.5 !#A769 1.75E7
assign (resid 60 and name HN) (resid 59 and name HA) 3.0 1.2 0.8 !#A143 4.68E7
assign (resid 60 and name HN) (resid 58 and name HA) 4.0 2.2 1.5 !#A1405 
assign (resid 60 and name HN) (resid 57 and name HA) 3.0 1.2 0.8 !#A1404 


assign (resid 60 and name HN) (resid 58 and name HG#) 3.0 1.2 0.8 !#A767 1.8E7 

!M61
assign (resid 61 and name HN) (resid 62 and name HN) 3.0 1.2 0.8 !#A600 2.43E7
assign (resid 61 and name HN) (resid 59 and name HN) 4.0 2.2 1.5 !#A1401 
assign (resid 61 and name HN) (resid 63 and name HN) 4.0 2.2 1.5 !#A1402 
assign (resid 61 and name HN) (resid 60 and name HN) 2.5 0.7 0.4 !#A599 5.5E7

assign (resid 61 and name HN) (resid 60 and name HA) 3.0 1.2 0.8 !#A1404 
assign (resid 61 and name HN) (resid 59 and name HA) 4.0 2.2 1.5 !#A1405  OVL
assign (resid 61 and name HN) (resid 58 and name HA) 3.0 1.2 0.8 !#A1404 
assign (resid 61 and name HN) (resid 57 and name HA) 4.0 2.2 1.5 !#A31 3.6E7


assign (resid 61 and name HN) (resid 57 and name HD1#) 4.0 2.2 1.5 !#A596 5.8E6 
assign (resid 61 and name HN) (resid 60 and name HB#) 3.0 1.2 0.8 !#A592 5.7E7 

!K62
assign (resid 62 and name HN) (resid 61 and name HN) 3.0 1.2 0.8 !#A772 1.1E7
assign (resid 62 and name HN) (resid 60 and name HN) 4.0 2.2 1.5 !#A773 -3E6
assign (resid 62 and name HN) (resid 63 and name HN) 3.0 1.2 0.8 !#A771 1E7
assign (resid 62 and name HN) (resid 64 and name HN) 4.0 2.2 1.5 !#A774 2.6E6 

assign (resid 62 and name HN) (resid 61 and name HA) 3.0 1.2 0.8 !#A1405 
assign (resid 62 and name HN) (resid 60 and name HA) 4.0 2.2 1.5 !#A1405 
assign (resid 62 and name HN) (resid 59 and name HA) 3.0 1.2 0.8 !#A1405 

assign (resid 62 and name HN) (resid 61 and name HB#) 3.0 1.2 0.8 !#A149 7.3E7 

!E63
assign (resid 63 and name HN) (resid 62 and name HN) 2.5 0.7 0.4 !#A788 5.2E7
assign (resid 63 and name HN) (resid 64 and name HN) 3.0 1.2 0.8 !#A789 1.5E7
assign (resid 63 and name HN) (resid 65 and name HN) 4.0 2.2 1.5 !#A OVL 

assign (resid 63 and name HN) (resid 62 and name HA) 3.0 1.2 0.8 !#A1407 R8 AD
assign (resid 63 and name HN) (resid 61 and name HA) 4.0 2.2 1.5 !#A1407 
assign (resid 63 and name HN) (resid 60 and name HA) 3.0 1.2 0.8 !#A1407  OVL
assign (resid 63 and name HN) (resid 59 and name HA) 4.0 2.2 1.5 !#A1407 OVL

assign (resid 63 and name HN) (resid 62 and name HB#) 3.0 1.2 0.8 !#A790 1.4E8 R4

!F64
assign (resid 64 and name HN) (resid 63 and name HN) 3.0 1.2 0.8 !#A800 1.23E7
assign (resid 64 and name HN) (resid 65 and name HN) 3.0 1.2 0.8 !#A800 1.23E7 
assign (resid 64 and name HN) (resid 66 and name HN) 4.0 2.2 1.5 !#A1408 

assign (resid 64 and name HN) (resid 62 and name HA) 4.0 2.2 1.5 !#A798 8E6 OVL 
assign (resid 64 and name HN) (resid 61 and name HA) 3.0 1.2 0.8 !#A798 8E6 
assign (resid 64 and name HN) (resid 63 and name HA) 3.0 1.2 0.8 !#A1410 

assign (resid 64 and name HN) (resid 63 and name HB#) 3.0 1.2 0.8 !#A794 1E7
assign (resid 64 and name HN) (resid 63 and name HG#) 4.0 2.2 1.5 !#A795 1.1E6 
assign (resid 64 and name HN) (resid 63 and name HG#) 4.0 2.2 1.5 !#A796 1.73E6 



!Q65
assign (resid 65 and name HN) (resid 64 and name HN) 3.0 1.2 0.8 !#A803 1.32E7
assign (resid 65 and name HN) (resid 66 and name HN) 2.5 0.7 0.4 !#A802 4.3E7

assign (resid 65 and name HN) (resid 64 and name HA) 3.0 1.2 0.8 !#A804 2.9E7
assign (resid 65 and name HN) (resid 62 and name HA) 3.0 1.2 0.8 !#A805 3.9E7 

assign (resid 65 and name HN) (resid 64 and name HB#) 3.0 1.2 0.8 !#A807 1.3E8 
assign (resid 65 and name HN) (resid 63 and name HG#) 4.0 2.2 1.5 !#A809 4.4E7 



!Q66
assign (resid 66 and name HN) (resid 64 and name HN) 4.0 2.2 1.5 !#A812 7.63E5
assign (resid 66 and name HN) (resid 65 and name HN) 3.0 1.2 0.8 !#A813 1.9E7 
assign (resid 66 and name HN) (resid 68 and name HN) 4.0 2.2 1.5 !#A813 1.9E7 
assign (resid 66 and name HN) (resid 67 and name HN) 3.0 1.2 0.8 !#A814 3.14E7

assign (resid 66 and name HN) (resid 62 and name HA) 4.0 2.2 1.5 !#A157 3.7E7
assign (resid 66 and name HN) (resid 64 and name HA) 4.0 2.2 1.5 !#A821 7.4E6
assign (resid 66 and name HN) (resid 65 and name HA) 3.0 1.2 0.8 !#A820 9.4E6

assign (resid 66 and name HN) (resid 65 and name HB#) 3.0 1.2 0.8 !#A816 5.4E7


!V67

assign (resid 67 and name HN) (resid 66 and name HN) 2.5 0.7 0.4 !#A822 3.3E7
assign (resid 67 and name HN) (resid 68 and name HN) 2.5 0.7 0.4 !#A823 8.65E7
assign (resid 67 and name HN) (resid 65 and name HN) 4.0 2.2 1.5 !#A823 8.65E7  
assign (resid 67 and name HN) (resid 69 and name HN) 4.0 2.2 1.5 !#A823 8.65E7 

assign (resid 67 and name HN) (resid 66 and name HA) 3.0 1.2 0.8 !#A828 4.24E7
assign (resid 67 and name HN) (resid 64 and name HA) 3.0 1.2 0.8 !#A829 2.9E7

assign (resid 67 and name HN) (resid 66 and name HG#) 4.0 2.2 1.5 !#A826 2.9E7 
assign (resid 67 and name HN) (resid 66 and name HB#) 3.0 1.2 0.8 !#A825 3.8E7 
assign (resid 67 and name HN) (resid 63 and name HG#) 4.0 2.2 1.5 !#A160 5.6E7 



!L68
assign (resid 68 and name HN) (resid 67 and name HN) 2.5 0.7 0.4 !#A740 9.8E7
assign (resid 68 and name HN) (resid 66 and name HN) 4.0 2.2 1.5 !#
assign (resid 68 and name HN) (resid 69 and name HN) 2.5 0.7 0.4 !#
assign (resid 68 and name HN) (resid 70 and name HN) 4.0 2.2 1.5 !#

assign (resid 68 and name HN) (resid 67 and name HA) 3.0 1.2 0.8 !#A259 4.7e7
assign (resid 68 and name HN) (resid 65 and name HA) 3.0 1.2 0.8 !#A259 4.7e7 
assign (resid 68 and name HN) (resid 64 and name HA) 4.0 2.2 1.5 !#A1414 
assign (resid 68 and name HN) (resid 66 and name HA) 4.0 2.2 1.5 !#

assign (resid 68 and name HN) (resid 67 and name HG#) 4.0 2.2 1.5 !#A743 7.1E6 
assign (resid 68 and name HN) (resid 67 and name HG#) 3.0 1.2 0.8 !#A744 5.24e7 

!D69
assign (resid 69 and name HN) (resid 68 and name HN) 2.5 0.7 0.4 !#A831 6E8 
assign (resid 69 and name HN) (resid 67 and name HN) 4.0 2.2 1.5 !#A835 OVL
assign (resid 69 and name HN) (resid 70 and name HN) 2.5 0.7 0.4 !#A835 6.5E7 
assign (resid 69 and name HN) (resid 71 and name HN) 4.0 2.2 1.5 !#A830 1.7E6 

assign (resid 69 and name HN) (resid 68 and name HA) 3.0 1.2 0.8 !#A837 6E7 
assign (resid 69 and name HN) (resid 66 and name HA) 3.0 1.2 0.8 !#A1415 
assign (resid 69 and name HN) (resid 67 and name HA) 4.0 2.2 1.5 !#A837 ovl 
assign (resid 69 and name HN) (resid 65 and name HA) 4.0 2.2 1.5 !#A837 OVL 
assign (resid 69 and name HN) (resid 68 and name HB#) 3.0 1.2 0.8 !#A840 1E8 
assign (resid 69 and name HN) (resid 68 and name HB#) 3.0 1.2 0.8 !#A841 3E7 


!E70
assign (resid 70 and name HN) (resid 71 and name HN) 3.0 1.2 0.8 !#A846 2.3E7
assign (resid 70 and name HN) (resid 69 and name HN) 2.5 0.7 0.4 !#A847 6.9E7 
assign (resid 70 and name HN) (resid 68 and name HN) 4.0 2.2 1.5 !#A848 1.6E7 
assign (resid 70 and name HN) (resid 72 and name HN) 4.0 2.2 1.5 !#A849 7.2E6 

assign (resid 70 and name HN) (resid 67 and name HA) 3.0 1.2 0.8 !#A850 2.6E7
assign (resid 70 and name HN) (resid 68 and name HA) 4.0 2.2 1.5 !#A850 2.6E7
assign (resid 70 and name HN) (resid 69 and name HA) 3.0 1.2 0.8 !#
assign (resid 70 and name HN) (resid 66 and name HA) 4.0 2.2 1.5 !#

assign (resid 70 and name HN) (resid 69 and name HB#) 3.0 1.2 0.8 !#A851 2.8E7
assign (resid 70 and name HN) (resid 66 and name HG#) 4.0 2.2 1.5 !#A167 2.3E7 

!L71
assign (resid 71 and name HN) (resid 70 and name HN) 3.0 1.2 0.8 !#A852 1.12E7
assign (resid 71 and name HN) (resid 73 and name HN) 4.0 2.2 1.5 !#A852 1.12E7 
assign (resid 71 and name HN) (resid 72 and name HN) 3.0 1.2 0.8 !#A853 2.53E7
assign (resid 71 and name HN) (resid 69 and name HN) 4.0 2.2 1.5 !#r16b ad

assign (resid 71 and name HN) (resid 67 and name HA) 4.0 2.2 1.5 !#A855 1.3E7
assign (resid 71 and name HN) (resid 68 and name HA) 3.0 1.2 0.8 !#A855 1.3E7 
assign (resid 71 and name HN) (resid 70 and name HA) 3.0 1.2 0.8 !#A854 1.12E7
assign (resid 71 and name HN) (resid 69 and name HA) 4.0 2.2 1.5 !#r13 ad

assign (resid 71 and name HN) (resid 70 and name HB#) 3.0 1.2 0.8 !#A856 1E7




!N72
assign (resid 72 and name HN) (resid 70 and name HN) 4.0 2.2 1.5 !#A873 3.5E6
assign (resid 72 and name HN) (resid 71 and name HN) 2.5 0.7 0.4 !#A872 2E7
assign (resid 72 and name HN) (resid 73 and name HN) 2.5 0.7 0.4 !#A871 2E7
assign (resid 72 and name HN) (resid 74 and name HN) 4.0 2.2 1.5 !#r16b ad

assign (resid 72 and name HN) (resid 69 and name HA) 3.0 1.2 0.8 !#A171 2.1E7 
assign (resid 72 and name HN) (resid 68 and name HA) 4.0 2.2 1.5 !#A875 3.15E6
assign (resid 72 and name HN) (resid 71 and name HA) 3.0 1.2 0.8 !#A874 2.4E7
assign (resid 72 and name HN) (resid 70 and name HA) 4.0 2.2 1.5 !#

assign (resid 72 and name HN) (resid 71 and name HB#) 4.0 2.2 1.5 !#A878 4.6E6
assign (resid 72 and name HN) (resid 71 and name HB#) 3.0 1.2 0.8 !#A876 4.1E7
assign (resid 72 and name HN) (resid 71 and name HG) 4.0 2.2 1.5 !#A877 8.3E6 
assign (resid 72 and name HN) (resid 71 and name HD2#) 4.0 2.2 1.5 !#A879 5.7E6 

!N73
assign (resid 73 and name HN) (resid 72 and name HN) 2.5 0.7 0.4 !#A881 1.5E7
assign (resid 73 and name HN) (resid 71 and name HN) 4.0 2.2 1.5 !#A883 1.1E6
assign (resid 73 and name HN) (resid 74 and name HN) 2.5 0.7 0.4 !#A882 7.6E8 
assign (resid 73 and name HN) (resid 75 and name HN) 4.0 2.2 1.5 !#

assign (resid 73 and name HN) (resid 71 and name HA) 4.0 2.2 1.5 !#A1417 
assign (resid 73 and name HN) (resid 70 and name HA) 4.0 2.2 1.5 !#A OVL #453
assign (resid 73 and name HN) (resid 69 and name HA) 4.0 2.2 1.5 !#A884 2.8E7
assign (resid 73 and name HN) (resid 72 and name HA) 3.0 1.2 0.8 !#A884 2.8E7

assign (resid 73 and name HN) (resid 72 and name HB#) 3.0 1.2 0.85 !#A886 3.6E7
assign (resid 73 and name HN) (resid 72 and name HB#) 3.0 1.2 0.8 !#A885 2.33E7

!H74
assign (resid 74 and name HN) (resid 72 and name HN) 4.0 2.2 1.5 !#A900 6E6
assign (resid 74 and name HN) (resid 76 and name HN) 4.0 2.2 1.5 !#A901 2.6E4 
assign (resid 74 and name HN) (resid 75 and name HN) 2.5 0.7 0.4 !#A898 3.2E7
assign (resid 74 and name HN) (resid 73 and name HN) 2.5 0.7 0.4 !#

assign (resid 74 and name HN) (resid 70 and name HA) 4.0 2.2 1.5 !#A895 5.8E6
assign (resid 74 and name HN) (resid 71 and name HA) 3.0 1.2 0.8 !#A894 6.5E6 
assign (resid 74 and name HN) (resid 73 and name HA) 3.0 1.2 0.8 !#A1416 
assign (resid 74 and name HN) (resid 72 and name HA) 4.0 2.2 1.5 !#

assign (resid 74 and name HN) (resid 71 and name HG) 3.0 1.2 1.5 !#A178 2.2E7 
assign (resid 74 and name HN) (resid 73 and name HB#) 3.0 1.2 0.8 !#A892 1.15E7
assign (resid 74 and name HN) (resid 71 and name HD1#) 4.0 2.2 1.5 !#A889 1.4E6
assign (resid 74 and name HN) (resid 73 and name HB#) 3.0 1.2 0.8 !#A893 1.33E7


!L75

assign (resid 75 and name HN) (resid 76 and name HN) 4.0 2.2 1.5 !#A394 -1E6
assign (resid 75 and name HN) (resid 73 and name HN) 4.0 2.2 1.5 !#A395 9.2E7 
assign (resid 75 and name HN) (resid 74 and name HN) 2.5 0.7 0.4 !#A395 9.2E7 

assign (resid 75 and name HN) (resid 74 and name HA) 3.0 1.2 0.8 !#A382 2.77E7
assign (resid 75 and name HN) (resid 71 and name HA) 4.0 2.2 1.5 !#A384 1.9E7 
assign (resid 75 and name HN) (resid 72 and name HA) 3.0 1.2 0.8 !#A383 R8 AD 
assign (resid 75 and name HN) (resid 73 and name HA) 4.0 2.2 1.5 !#


!Q76
assign (resid 76 and name HN) (resid 77 and name HN) 3.0 1.2 0.8 !#A907 2.85E6
assign (resid 76 and name HN) (resid 75 and name HN) 4.0 2.2 1.5 !#A908 2.6E6 

assign (resid 76 and name HN) (resid 75 and name HA) 3.0 1.2 0.8 !#A909 2.1E7  

assign (resid 76 and name HN) (resid 75 and name HB#) 3.0 1.2 0.8 !#A905 1.75E7
assign (resid 76 and name HN) (resid 75 and name HD2#) 4.0 2.2 2.0 !#A906 8.74E6 


!G77
assign (resid 77 and name HN) (resid 76 and name HN) 4.0 2.2 1.5 !#A918 5.3E6
assign (resid 77 and name HN) (resid 76 and name HB#) 4.0 2.2 1.5 !#A911 8.18E6
assign (resid 77 and name HN) (resid 76 and name HG#) 4.0 2.2 1.5 !#A913 6.74E6 
assign (resid 77 and name HN) (resid 76 and name HA) 3.0 1.2 0.8 !#A915 3.8E7
assign (resid 77 and name HN) (resid 75 and name HA) 4.0 2.2 1.5 !#A916 3.13E6
assign (resid 77 and name HN) (resid 78 and name HN) 3.0 1.2 0.8 !#A917 2.13E7

!G78
assign (resid 78 and name HN) (resid 75 and name HG) 4.0 2.2 1.5 !#A920 3.3E6 
assign (resid 78 and name HN) (resid 76 and name HN) 4.0 2.2 1.5 !#A923 6E5
assign (resid 78 and name HN) (resid 75 and name HD1#) 4.0 2.2 1.5 !#A921 2.5E6
assign (resid 78 and name HN) (resid 77 and name HN) 3.0 1.2 0.8 !#A922 1.96E7
assign (resid 78 and name HN) (resid 77 and name HA#) 3.0 1.2 0.8 !#A186 1E8 
assign (resid 78 and name HN) (resid 76 and name HA) 4.0 2.2 1.5 !#A919 1.4E6 

!K79

assign (resid 79 and name HN) (resid 78 and name HN) 3.0 1.2 0.8 !#A1442 
assign (resid 79 and name HN) (resid 81 and name HN) 4.0 2.2 1.5 !#A1443  

assign (resid 79 and name HN) (resid 78 and name HA#) 3.0 1.2 0.8 !#A925 5.4E7 
assign (resid 79 and name HN) (resid 75 and name HA) 4.0 2.2 1.5 !#A924 3.8E6

assign (resid 79 and name HN) (resid 75 and name HG) 4.0 2.2 1.5 !#A189 4.23E7 
assign (resid 79 and name HN) (resid 75 and name HD1#) 4.0 2.2 1.5 !#A927 6.4E6

!H80
assign (resid 80 and name HN) (resid 81 and name HN) 3.0 1.2 0.8 !#A931 3.43E6
assign (resid 80 and name HN) (resid 79 and name HN) 3.0 1.2 0.8 !#A930 1.3E7

assign (resid 80 and name HN) (resid 79 and name HA) 3.0 1.2 0.8 !#A932 5.54E6
assign (resid 80 and name HN) (resid 78 and name HA#) 4.0 2.2 1.5 !#A1415 
assign (resid 80 and name HN) (resid 79 and name HB#) 4.0 2.2 1.5 !#A933 5.5E6
assign (resid 80 and name HN) (resid 79 and name HG#) 4.0 2.2 1.5 !#A935 6.5E5 

!T81
assign (resid 81 and name HN) (resid 80 and name HN) 3.0 1.2 0.8 !#A937 1.1E7
assign (resid 81 and name HN) (resid 82 and name HN) 2.5 0.7 0.4 !#A939 7.3E8 
assign (resid 81 and name HN) (resid 79 and name HN) 4.0 2.2 1.5 !#A938 7.7E6
assign (resid 81 and name HN) (resid 83 and name HN) 4.0 2.2 1.5 !#

assign (resid 81 and name HN) (resid 80 and name HA) 3.0 1.2 0.8 !#A940 9.4E6 


assign (resid 81 and name HN) (resid 79 and name HE#) 4.0 2.2 1.5 !#A942 6.7E6 
assign (resid 81 and name HN) (resid 80 and name HB#) 3.0 1.2 0.8 !#A941 2.35E7

!V82
assign (resid 82 and name HN) (resid 83 and name HN) 4.0 2.2 1.5 !#A381 6.6E7 
assign (resid 82 and name HN) (resid 84 and name HN) 4.0 2.2 1.5 !#
assign (resid 82 and name HN) (resid 80 and name HN) 4.0 2.2 1.5 !#
assign (resid 82 and name HN) (resid 81 and name HN) 4.0 2.2 1.5 !#


assign (resid 82 and name HN) (resid 80 and name HA) 4.0 2.2 1.5 !#A376 2.4E7 
assign (resid 82 and name HN) (resid 81 and name HA) 4.0 2.2 1.5 !#A386  OVL

assign (resid 82 and name HN) (resid 81 and name HG2#) 3.0 1.2 0.8 !#A377 3E7 


!H83
assign (resid 83 and name HN) (resid 82 and name HN) 2.5 0.7 0.4 !#A945 5.5E7
assign (resid 83 and name HN) (resid 81 and name HN) 4.0 2.2 1.5 !#A945 5.5E7 
assign (resid 83 and name HN) (resid 85 and name HN) 4.0 2.2 1.5 !#A945 5.5E7 
assign (resid 83 and name HN) (resid 84 and name HN) 2.5 0.7 0.4 !#A946 4.43E7

assign (resid 83 and name HN) (resid 80 and name HA) 3.0 1.2 0.8 !#A198 2.5E7 
assign (resid 83 and name HN) (resid 82 and name HA) 3.0 1.2 0.8 !#A950 1.22E7
assign (resid 83 and name HN) (resid 79 and name HA) 4.0 2.2 1.5 !#A949 9.65E6
assign (resid 83 and name HN) (resid 81 and name HA) 4.0 2.2 1.5 !#

assign (resid 83 and name HN) (resid 82 and name HB) 3.0 1.2 0.8 !#A951 5.56E7
assign (resid 83 and name HN) (resid 81 and name HG2#) 4.0 2.2 1.5 !#A952 4.6E6 
assign (resid 83 and name HN) (resid 82 and name HG1#) 3.0 1.2 0.8 !#A953 3.33E7 


!H84
assign (resid 84 and name HN) (resid 83 and name HN) 2.5 0.7 0.4 !#A957 3.44E7
assign (resid 84 and name HN) (resid 86 and name HN) 4.0 2.2 1.5 !#A957 3.44E7 
assign (resid 84 and name HN) (resid 82 and name HN) 4.0 2.2 1.5 !#A407 1.14E8
assign (resid 84 and name HN) (resid 85 and name HN) 2.5 0.7 0.4 !

assign (resid 84 and name HN) (resid 81 and name HA) 3.0 1.2 0.8 !#
assign (resid 84 and name HN) (resid 82 and name HA) 4.0 2.2 1.5 !#
assign (resid 84 and name HN) (resid 80 and name HA) 4.0 2.2 1.5 !#A954 1.8E7
assign (resid 84 and name HN) (resid 83 and name HA) 3.0 1.2 0.8 !#A954 1.8E7


!I85

assign (resid 85 and name HN) (resid 84 and name HN) 2.5 0.7 0.4 !#A OVL I85N 
assign (resid 85 and name HN) (resid 86 and name HN) 2.5 0.7 0.4 !#A381 
assign (resid 85 and name HN) (resid 87 and name HN) 4.0 2.2 1.5 !#AOVL I85N 
assign (resid 85 and name HN) (resid 83 and name HN) 4.0 2.2 1.5 !#

assign (resid 85 and name HN) (resid 81 and name HA) 4.0 2.2 1.5 !#A386 9.9E6
assign (resid 85 and name HN) (resid 84 and name HA) 3.0 1.2 0.8 !#A383 2.5E7
assign (resid 85 and name HN) (resid 82 and name HA) 3.0 1.2 0.8 !#A254 OVL
assign (resid 85 and name HN) (resid 83 and name HA) 4.0 2.2 1.5 !#A376  OVL

assign (resid 85 and name HN) (resid 82 and name HG1#) 4.0 2.2 1.5 !#A253 6.3E7 

assign (resid 85 and name HN) (resid 84 and name HB#) 4.0 2.2 1.5 !#A388 1.82E7 
assign (resid 85 and name HN) (resid 82 and name HG2#) 4.0 2.2 1.5 !#A379 1.3E8
assign (resid 85 and name HN) (resid 84 and name HB#) 3.0 1.2 0.8 !#A387 3.1E7

!E86
assign (resid 86 and name HN) (resid 85 and name HN) 2.5 0.7 0.4 !#A371 6.9E7
assign (resid 86 and name HN) (resid 88 and name HN) 4.0 2.2 1.5 !#A375 OVL 
assign (resid 86 and name HN) (resid 87 and name HN) 2.5 0.7 0.4 !#
assign (resid 86 and name HN) (resid 84 and name HN) 4.0 2.2 1.5 !#

assign (resid 86 and name HN) (resid 85 and name HA) 3.0 1.2 0.8 !#A355 9.7E6
assign (resid 86 and name HN) (resid 83 and name HA) 3.0 1.2 0.8 !#A356 9.1E6 
assign (resid 86 and name HN) (resid 82 and name HA) 4.0 2.2 1.5 !#A357 1.1E7
assign (resid 86 and name HN) (resid 82 and name HA) 4.0 2.2 1.5 !#


!Q87
assign (resid 87 and name HN) (resid 86 and name HN) 2.5 0.7 0.4 !#A960 2.86E7
assign (resid 87 and name HN) (resid 88 and name HN) 2.5 0.7 0.4 !#A958 3.55E7
assign (resid 87 and name HN) (resid 89 and name HN) 4.0 2.2 1.5 !#A959 5.4E7 
assign (resid 87 and name HN) (resid 85 and name HN) 4.0 2.2 1.5 !#


assign (resid 87 and name HN) (resid 84 and name HA) 3.0 1.2 0.8 !#A961 3.24E7
assign (resid 87 and name HN) (resid 86 and name HA) 3.0 1.2 0.8 !#
assign (resid 87 and name HN) (resid 85 and name HA) 4.0 2.2 1.5 !#A964 3.42E6
assign (resid 87 and name HN) (resid 83 and name HA) 4.0 2.2 1.5 !#A962 5.9E6

assign (resid 87 and name HE22) (resid 86 and name HB#) 3.0 1.2 0.8 !#A1265 1.4E7

!N88
assign (resid 88 and name HN) (resid 87 and name HN) 2.5 0.7 0.4 !#A966 2.84E7
assign (resid 88 and name HN) (resid 90 and name HN) 4.0 2.2 1.5 !#A967 1.8E6 
assign (resid 88 and name HN) (resid 89 and name HN) 2.5 0.7 0.4 !#A965 3.4E8  
assign (resid 88 and name HN) (resid 86 and name HN) 4.0 2.2 1.5 !#


assign (resid 88 and name HN) (resid 85 and name HA) 3.0 1.2 0.8 !#A969 5.5E6
assign (resid 88 and name HN) (resid 87 and name HA) 3.0 1.2 0.8 !#A968 2E7
assign (resid 88 and name HN) (resid 86 and name HA) 4.0 2.2 1.5 !#
assign (resid 88 and name HN) (resid 84 and name HA) 4.0 2.2 1.5 !#


assign (resid 88 and name HN) (resid 85 and name HG2#) 4.0 2.2 1.5 !#A972 3.8E6
assign (resid 88 and name HN) (resid 87 and name HB#) 3.0 1.2 0.8 !#A970 2.1E7

!I89
assign (resid 89 and name HN) (resid 88 and name HN) 2.5 0.7 0.4 !#A974 1.32E8
assign (resid 89 and name HN) (resid 90 and name HN) 2.5 0.7 0.4 !#A976 9.23E6
assign (resid 89 and name HN) (resid 91 and name HN) 4.0 2.2 1.5 !#
assign (resid 89 and name HN) (resid 87 and name HN) 4.0 2.2 1.5 !#

assign (resid 89 and name HN) (resid 88 and name HA) 4.0 2.2 1.5 !#A980 1.7E6
assign (resid 89 and name HN) (resid 87 and name HA) 4.0 2.2 1.5 !#A979 6.3E6 
assign (resid 89 and name HN) (resid 86 and name HA) 4.0 2.2 1.5 !#A979 6.3E6 OVL
assign (resid 89 and name HN) (resid 85 and name HA) 4.0 2.2 1.5 !#


assign (resid 89 and name HN) (resid 88 and name HB#) 4.0 2.2 1.5 !#A981 5.9E6 
assign (resid 89 and name HN) (resid 88 and name HB#) 3.0 1.2 0.8 !#A982 1.2E7 

!K90
assign (resid 90 and name HN) (resid 89 and name HN) 2.5 0.7 0.4 !#A990 6.8E7
assign (resid 90 and name HN) (resid 91 and name HN) 2.5 0.7 0.4 !#A989 8.12E7
assign (resid 90 and name HN) (resid 88 and name HN) 4.0 2.2 1.5 !#
assign (resid 90 and name HN) (resid 92 and name HN) 4.0 2.2 1.5 !#

assign (resid 90 and name HN) (resid 88 and name HA) 4.0 2.2 1.5 !#A1446 
assign (resid 90 and name HN) (resid 87 and name HA) 4.0 2.2 1.5 !#A1447 
assign (resid 90 and name HN) (resid 89 and name HA) 3.0 1.2 0.8 !#A995 7.8E6
assign (resid 90 and name HN) (resid 86 and name HA) 4.0 2.2 1.5 !#

assign (resid 90 and name HN) (resid 89 and name HG2#) 3.0 1.2 0.8 !#A991 4.7E7
assign (resid 90 and name HN) (resid 89 and name HG1#) 4.0 2.2 1.5 !#A993 1.2E7

!E91
assign (resid 91 and name HN) (resid 90 and name HN) 2.5 0.7 0.4 !#A999 6.7E7
assign (resid 91 and name HN) (resid 92 and name HN) 2.5 0.7 0.4 !#A1000 9.4E8
assign (resid 91 and name HN) (resid 89 and name HN) 4.0 2.2 1.5 !#A997 1E9 
assign (resid 91 and name HN) (resid 93 and name HN) 4.0 2.2 1.5 !#A998 -1E6 
assign (resid 91 and name HN) (resid 88 and name HA) 3.0 1.2 0.8 !#A1001 6.9E8?
assign (resid 91 and name HN) (resid 87 and name HA) 4.0 2.2 1.5 !#A1002 8.9E6
assign (resid 91 and name HN) (resid 90 and name HA) 3.0 1.2 0.8 !#A1002 8.9E6
assign (resid 91 and name HN) (resid 89 and name HA) 4.0 2.2 1.5 !#

assign (resid 91 and name HN) (resid 90 and name HB#) 3.0 1.2 0.8 !#A1003 7.8E7
assign (resid 91 and name HN) (resid 89 and name HG2#) 4.0 2.2 1.5 !#A1004 3.4E6 
assign (resid 91 and name HN) (resid 90 and name HG#) 4.0 2.2 1.5 !#A1005 7.8E6

!I92
assign (resid 92 and name HN) (resid 91 and name HN) 2.5 0.7 0.4 !#A1006 1E8
assign (resid 92 and name HN) (resid 93 and name HN) 3.0 1.2 0.8 !#A1007 9.15E6
assign (resid 92 and name HN) (resid 90 and name HN) 4.0 2.2 1.5 !#
assign (resid 92 and name HN) (resid 94 and name HN) 4.0 2.2 1.5 !#

assign (resid 92 and name HN) (resid 89 and name HA) 3.0 1.2 0.8 !#A1013 3.7E7
assign (resid 92 and name HN) (resid 91 and name HA) 3.0 1.2 0.8 !#A1015 4.1E7
assign (resid 92 and name HN) (resid 90 and name HA) 4.0 2.2 1.5 !#
assign (resid 92 and name HN) (resid 88 and name HA) 4.0 2.2 1.5 !#

assign (resid 92 and name HN) (resid 91 and name HB#) 3.0 1.2 0.8 !#A1011 5.3E7



!F93
assign (resid 93 and name HN) (resid 94 and name HN) 2.5 0.7 0.4 !#A863 4.44E7 
assign (resid 93 and name HN) (resid 95 and name HN) 4.0 2.2 1.5 !#A863 4.44E7 
assign (resid 93 and name HN) (resid 91 and name HN) 4.0 2.2 1.5 !#A864 7.8E6
assign (resid 93 and name HN) (resid 92 and name HN) 3.0 1.2 0.8 !#A862 1.8E7

assign (resid 93 and name HN) (resid 91 and name HA) 4.0 2.2 1.5 !#A219 3.17E7 
assign (resid 93 and name HN) (resid 90 and name HA) 3.0 1.2 0.8 !#A870 1.24E7
assign (resid 93 and name HN) (resid 89 and name HA) 4.0 2.2 1.5 !#A869 3.5E6 
assign (resid 93 and name HN) (resid 92 and name HA) 3.0 1.2 0.8 !#A1448 

assign (resid 93 and name HN) (resid 92 and name HG2#) 4.0 2.2 1.5 !#A867 2.6E7 
assign (resid 93 and name HN) (resid 92 and name HB) 3.0 1.2 0.8 !#A868 3.3E7
assign (resid 93 and name HN) (resid 89 and name HG1#) 4.0 2.2 1.5 !#A679 1.3E7

!H94
assign (resid 94 and name HN) (resid 93 and name HN) 3.0 1.2 0.8 !#A1016 2.8E7 
assign (resid 94 and name HN) (resid 96 and name HN) 4.0 2.2 1.5 !#A1017 1.3E7 
assign (resid 94 and name HN) (resid 95 and name HN) 2.5 0.7 0.4 !#
assign (resid 94 and name HN) (resid 92 and name HN) 4.0 2.2 1.5 !#

assign (resid 94 and name HN) (resid 91 and name HA) 3.0 1.2 0.8 !#A1022 2.5E7
assign (resid 94 and name HN) (resid 93 and name HA) 3.0 1.2 0.8 !#A1022 2.5E7 
assign (resid 94 and name HN) (resid 90 and name HA) 4.0 2.2 1.5 !#A1021 7.95E6
assign (resid 94 and name HN) (resid 92 and name HA) 4.0 2.2 1.5 !#A1020 2.5E7 

assign (resid 94 and name HN) (resid 93 and name HB#) 3.0 1.2 0.8 !#A1019 9.1E7 

!H95
assign (resid 95 and name HN) (resid 96 and name HN) 2.5 0.7 0.4 !#A1023 8.7E7 
assign (resid 95 and name HN) (resid 93 and name HN) 4.0 2.2 1.5 !#A1024 1.3E7 
assign (resid 95 and name HN) (resid 97 and name HN) 4.0 2.2 1.5 !#A  OVL
assign (resid 95 and name HN) (resid 94 and name HN) 3.0 1.2 0.8 !#A  OVL

assign (resid 95 and name HN) (resid 94 and name HA) 3.0 1.2 0.8 !#A223 3.7E7
assign (resid 95 and name HN) (resid 93 and name HA) 4.0 2.2 1.5 !#A1022 
assign (resid 95 and name HN) (resid 91 and name HA) 4.0 2.2 1.5 !#A1022  OVL
assign (resid 95 and name HN) (resid 92 and name HA) 4.0 2.2 1.5 !#AOVL A154 

!L96
assign (resid 96 and name HN) (resid 95 and name HN) 2.5 0.7 0.4 !#A1029 8.4E7
assign (resid 96 and name HN) (resid 94 and name HN) 4.0 2.2 1.5 !#A1029 8E7 
assign (resid 96 and name HN) (resid 97 and name HN) 2.5 0.7 0.4 !#A1032 4.6E6  
assign (resid 96 and name HN) (resid 98 and name HN) 4.0 2.2 1.5 !#

assign (resid 96 and name HN) (resid 94 and name HA) 4.0 2.2 1.5 !#A1035 1.16E7 
assign (resid 96 and name HN) (resid 92 and name HA) 4.0 2.2 1.5 !#A1037 3.9E6
assign (resid 96 and name HN) (resid 93 and name HA) 3.0 1.2 0.8 !#A1036 2.6E7
assign (resid 96 and name HN) (resid 95 and name HA) 3.0 1.2 0.8 !#A1035 1.2E7 

assign (resid 96 and name HN) (resid 93 and name HD#) 4.0 2.2 1.5 !#A1034 1.72E6 

!E97
assign (resid 97 and name HN) (resid 96 and name HN) 2.5 0.7 0.4 !#A1044 6.5E7
assign (resid 97 and name HN) (resid 98 and name HN) 2.5 0.7 0.4 !#A1043 3.15E7
assign (resid 97 and name HN) (resid 95 and name HN) 4.0 2.2 1.5 !#A OVL
assign (resid 97 and name HN) (resid 99 and name HN) 4.0 2.2 1.5 !#

assign (resid 97 and name HN) (resid 96 and name HA) 3.0 1.2 0.8 !#A806 3.8E7
assign (resid 97 and name HN) (resid 94 and name HA) 3.0 1.2 0.8 !#A1045 6.7E7 
assign (resid 97 and name HN) (resid 95 and name HA) 4.0 2.2 1.5 !#
assign (resid 97 and name HN) (resid 93 and name HA) 4.0 2.2 1.5 !#

assign (resid 97 and name HN) (resid 96 and name HD1#) 4.0 2.2 1.5 !#A1047 1E7 
assign (resid 97 and name HN) (resid 96 and name HB#) 3.0 1.2 0.8 !#A1048 1.5E7
assign (resid 97 and name HN) (resid 96 and name HD2#) 4.0 2.2 1.5 !#A810 2.6E7 

!E98
assign (resid 98 and name HN) (resid 97 and name HN) 2.5 0.7 0.4 !#A1079 3.4E7
assign (resid 98 and name HN) (resid 96 and name HN) 4.0 2.2 1.5 !#A1080 9.95E5
assign (resid 98 and name HN) (resid 100 and name HN) 4.0 2.2 1.5 !#
assign (resid 98 and name HN) (resid 99 and name HN) 2.5 0.7 0.4 !#

assign (resid 98 and name HN) (resid 97 and name HA) 3.0 1.2 0.8 !#A1088 1.3E7
assign (resid 98 and name HN) (resid 96 and name HA) 4.0 2.2 1.5 !#A1089 1.23E7
assign (resid 98 and name HN) (resid 94 and name HA) 4.0 2.2 1.5 !#A1091 1.2E7 
assign (resid 98 and name HN) (resid 95 and name HA) 3.0 1.2 0.8 !#A1091 1.2E7

assign (resid 98 and name HN) (resid 97 and name HG#) 4.0 2.2 1.5 !#A231 1.6E7 
assign (resid 98 and name HN) (resid 96 and name HG#) 4.0 2.2 1.5 !#A1084 1.9E7 
assign (resid 98 and name HN) (resid 96 and name HD2#) 4.0 2.2 1.5 !#A1082 4.1E6 

!L99
assign (resid 99 and name HN) (resid 98 and name HN) 2.5 0.7 0.4 !#A1049 6.8E7
assign (resid 99 and name HN) (resid 100 and name HN) 2.5 0.7 0.4 !#A1049 6.8E7 
assign (resid 99 and name HN) (resid 97 and name HN) 4.0 2.2 1.5 !#A1053 4.4E6
assign (resid 99 and name HN) (resid 101 and name HN) 4.0 2.2 1.5 !#A1053 4.4E6 

assign (resid 99 and name HN) (resid 96 and name HA) 3.0 1.2 0.8 !#A1062 9.4E6
assign (resid 99 and name HN) (resid 98 and name HA) 3.0 1.2 0.8 !#A1063 1.4E7
assign (resid 99 and name HN) (resid 97 and name HA) 4.0 2.2 1.5 !#A1061 4.24E6
assign (resid 99 and name HN) (resid 95 and name HA) 4.0 2.2 1.5 !#

assign (resid 99 and name HN) (resid 98 and name HB#) 3.0 1.2 0.8 !#A1058 2.2E7
assign (resid 99 and name HN) (resid 98 and name HG#) 4.0 2.2 1.5 !#A1059 1E7
assign (resid 99 and name HN) (resid 98 and name HG#) 4.0 2.2 1.5 !#A1060 5E6
assign (resid 99 and name HN) (resid 96 and name HD2#) 4.0 2.2 1.5 !#A1057 3.6E6

!V100
assign (resid 100 and name HN) (resid 98 and name HN) 4.0 2.2 1.5 !#A1076 8.8E8
assign (resid 100 and name HN) (resid 99 and name HN) 2.5 0.7 0.4 !#A1077 7.5E7
assign (resid 100 and name HN) (resid 101 and name HN) 3.0 1.2 0.8 !#A1078 1.2E7

assign (resid 100 and name HN) (resid 99 and name HA) 3.0 1.2 0.8 !#A1090 1.8E7
assign (resid 100 and name HN) (resid 97 and name HA) 3.0 1.2 0.8 !#A1088 1.3E7 
assign (resid 100 and name HN) (resid 98 and name HA) 4.0 2.2 1.5 !#A OVL E98
assign (resid 100 and name HN) (resid 96 and name HA) 4.0 2.2 1.5 !#

assign (resid 100 and name HN) (resid 96 and name HD2#) 4.0 2.2 1.5 !#A1082 4.1E6 


!H101
assign (resid 101 and name HN) (resid 99 and name HN) 4.0 2.2 1.5 !#A1064 3.45E6
assign (resid 101 and name HN) (resid 100 and name HN) 3.0 1.2 0.8 !#A1065 1.7E7
assign (resid 101 and name HN) (resid 102 and name HN) 3.0 1.2 0.8 !#A OVL

assign (resid 101 and name HN) (resid 100 and name HA) 3.0 1.2 0.8 !#A1066 7.8E7
assign (resid 101 and name HN) (resid 99 and name HA) 4.0 2.2 1.5 !#A1067 3.6E6 
assign (resid 101 and name HN) (resid 98 and name HA) 4.0 2.2 1.5 !#A1066 7.8E7 

assign (resid 101 and name HN) (resid 100 and name HB) 3.0 1.2 0.8 !#A1068 3.44E7
assign (resid 101 and name HN) (resid 100 and name HG1#) 3.0 1.2 0.8 !#A1069 3.2E7


!R102
assign (resid 102 and name HN) (resid 101 and name HN) 3.0 1.2 0.8 !#A1075 7E8 

assign (resid 102 and name HN) (resid 101 and name HA) 3.0 1.2 0.8 !#A1074 4.24E7
assign (resid 102 and name HN) (resid 100 and name HA) 4.0 2.2 1.5 !#A1450 

assign (resid 102 and name HN) (resid 99 and name HG#) 4.0 2.2 1.5 !#A246 1.5E7
assign (resid 102 and name HN) (resid 101 and name HB#) 3.0 1.2 0.8 !#A1073 1.2E7
assign (resid 102 and name HN) (resid 100 and name HG2#) 4.0 2.2 1.5 !#A1072 4.45E6

! Added later

! c-NOESY  nOV.26, 2002


!L5 D1

assign (resid 5 and name HD1#) (resid 96 and name HD1#) 3.0 1.2 1.5 !#B2448 4.6E7 

!L9 D2

assign (resid 9 and name HD2#) (resid 41 and name HA) 3.0 1.2 1.5 !#B2425 6.2E7 
assign (resid 9 and name HD2#) (resid 89 and name HD1#) 4.0 2.2 2.0 !#B2427 2.9E7 
assign (resid 9 and name HD2#) (resid 96 and name HD1#) 3.0 1.2 1.5 !#B2428 3.2E7 

!L16 D1 D2

assign (resid 16 and name HD2#) (resid 89 and name HD1#) 3.0 1.2 1.5 !#B2465 2.7E7 
assign (resid 16 and name HD1#) (resid 89 and name HG2#) 3.0 1.2 1.5 !#B2420 9.6E7 
assign (resid 16 and name HD1#) (resid 30 and name HD1#) 3.0 1.2 1.5 !#B2421 2.9E7 

! L19 D1 D2

assign (resid 19 and name HD1#) (resid 30 and name HD1#) 4.0 2.2 1.5 !#B2398 1.9E7 
assign (resid 19 and name HD2#) (resid 30 and name HD1#) 4.0 2.2 1.5 !#B2447 1.3E7 
assign (resid 19 and name HD1#) (resid 89 and name HD1#) 3.0 1.2 1.5 !#B2399 3.4E7 

!K21 G

assign (resid 21 and name HG#) (resid 81 and name HG2#) 3.0 1.2 1.5 !#B2667 4.9E7 


!V33 G2
assign (resid 33 and name HG1#) (resid 67 and name HG2#) 4.0 2.2 2 !#B2081 2E6 
assign (resid 33 and name HG1#) (resid 30 and name HD1#) 4.0 2.2 1.5 !#B2082 5.3E6 
assign (resid 33 and name HG1#) (resid 30 and name HD2#) 4.0 2.2 1.5 !#B2083 2E7 
assign (resid 33 and name HG1#) (resid 30 and name HA) 4.0 2.2 1.5 !#B2085 1.3E7 



!L37 D1, D2

assign (resid 37 and name HD1#) (resid 89 and name HD1#) 3.0 1.2 1.5 !#B2446 3.5E7 

assign (resid 37 and name HD2#) (resid 40 and name HG1#) 4.0 2.2 1.5 !#B2412 9.9E7 

assign (resid 37 and name HD2#) (resid 89 and name HD1#) 3.0 1.2 1.5 !#B2413 4E7 

!V40 G2
assign (resid 40 and name HG1#) (resid 37 and name HA) 4.0 2.2 1.5 !#B2056 1.2E7 
assign (resid 40 and name HG1#) (resid 41 and name HA) 4.0 2.2 1.5 !#B2060 1.5E7 

!I41 D

assign (resid 41 and name HD1#) (resid 96 and name HD1#) 3.0 1.2 1.5 !#B2540 2.1E7 

!I44 G1# D G2

assign (resid 44 and name HG1#) (resid 41 and name HG1#) 4.0 2.2 1.5 !#B2505 3E7 
assign (resid 44 and name HG1#) (resid 96 and name HD1#) 4.0 2.2 1.5 !#B2506 4.2E6 

assign (resid 44 and name HD1#) (resid 41 and name HA) 4.0 2.2 1.5 !#B2543 1.8E7 
assign (resid 44 and name HD1#) (resid 40 and name HA) 4.0 2.2 2 !#B2544 8.8E6 

assign (resid 44 and name HG2#) (resid 96 and name HD1#) 3.0 1.2 1.5 !#B2602 5.1E7 

!L57 D2

assign (resid 57 and name HD1#) (resid 96 and name HD1#) 3.0 1.2 1.5 !#B2265 9.5E7 



!V67G2

assign (resid 67 and name HG1#) (resid 64 and name HA) 4.0 2.2 1.5 !#B2043 1.1E7 
assign (resid 67 and name HG1#) (resid 89 and name HG1#) 4.0 2.2 1.5 !#B2049 -1.1E7 

!L68D1

assign (resid 68 and name HD1#) (resid 89 and name HD1#) 2.5 0.7 1.5 !#B2352 6.8E8 


!L71 D1

assign (resid 71 and name HD1#) (resid 89 and name HD1#) 4.0 2.2 1.5 !#B2317 2.65E7 


!L75 D2

assign (resid 75 and name HD2#) (resid 85 and name HD1#) 4.0 2.2 2.0 !#B2303 1.3E7 


!T81 G2#
assign (resid 81 and name HG2#) (resid 75 and name HD1#) 4.0 2.2 1.5 !#B2121 1.4E7 

!I85 D G2

assign (resid 85 and name HD1#) (resid 89 and name HG2#) 3.0 1.2 1.5 !#B2581 8.6E7 

assign (resid 85 and name HG2#) (resid 89 and name HD1#) 3.0 1.2 1.5 !#B2656 3E7 


!I92 D G2

assign (resid 92 and name HD1#) (resid 89 and name HA) 4.0 2.2 1.5 !#B2556 2E7 
assign (resid 92 and name HD1#) (resid 89 and name HD1#) 3.0 1.2 1.5 !#B2570 3E7 

assign (resid 92 and name HG2#) (resid 96 and name HD1#) 3.0 1.2 1.5 !#B2642 4.9E7 
assign (resid 92 and name HG2#) (resid 89 and name HD1#) 3.0 1.2 1.5 !#B2643 2.6E7 

!L96 D1

assign (resid 96 and name HD1#) (resid 57 and name HD2#) 2.5 0.7 1.5 !#B2349 1.2E8 

!L99 D1

assign (resid 99 and name HD2#) (resid 96 and name HD2#) 2.5 0.7 1.5 !#B2387 2.7E8 


! V100 G1,2

assign (resid 100 and name HG1#) (resid 54 and name HN) 4.0 2.2 1.5 !#B2019 1.7E6 
assign (resid 100 and name HG2#) (resid 54 and name HN) 4.0 2.2 1.5 !#B2020 4.1E6 
assign (resid 100 and name HG1#) (resid 53 and name HN) 4.0 2.2 1.5 !#B2025 9E6 
assign (resid 100 and name HG2#) (resid 53 and name HN) 4.0 2.2 1.5 !#B2026 2.6E6 
assign (resid 100 and name HG1#) (resid 54 and name HA#) 3.0 1.2 1.5 !#B2032 5.2E7  
assign (resid 100 and name HG2#) (resid 54 and name HA#) 3.0 1.2 1.5 !#B2033 3.6E7 
assign (resid 100 and name HG1#) (resid 97 and name HA) 4.0 2.2 1.5 !#B2034 2.4E7  
assign (resid 100 and name HG2#) (resid 97 and name HA) 4.0 2.2 1.5 !#B2035 1.1E7 
assign (resid 100 and name HG2#) (resid 57 and name HD2#) 3.0 1.2 1.5 !#B2039 4.2E7 


! round 17 added

assign (resid 3 and name HN) (resid 1 and name HB#) 4.0 2.2 1.5 !#A280 1.9E6 

!assign (resid 6 and name HN) (resid 2 and name HN) 4.0 2.2 1.5 !#A303 2.9E6 

assign (resid 9 and name HN) (resid 6 and name HB#) 3.0 1.2 1.2 !#A326 2.5E7 

assign (resid 9 and name HN) (resid 5 and name HD1#) 3.0 1.2 0.8 !#A324 4.6E7 

assign (resid 12 and name HD2#) (resid 40 and name HG1#) 3.0 1.2 1.5 !#B2149 4E7 

assign (resid 15 and name HN) (resid 12 and name HB#) 4.0 2.2 1.5 !#A390 3.65e6 

assign (resid 23 and name HE1) (resid 30 and name HD1#) 4.0 2.2 1.5 !#A515 1.3E6  
assign (resid 23 and name HE1) (resid 30 and name HD2#) 4.0 2.2 1.5 !#A514 1.9E6 

assign (resid 32 and name HN) (resid 33 and name HB) 4.0 2.2 1.5 !#A536 4.6E6  

assign (resid 40 and name HG1#) (resid 12 and name HD2#) 3.0 1.2 1.5 !#B2069 3.4E7 

assign (resid 44 and name HN) (resid 40 and name HB) 4.0 2.2 1.5 !#A656 2.1E7 


! r18 ad

assign (resid 59 and name HN) (resid 57 and name HB#) 4.0 2.2 1.5 !#A757 9.5E6 
assign (resid 59 and name HN) (resid 56 and name HB#) 4.0 2.2 1.5 !#A755 2.14E7 

assign (resid 60 and name HN) (resid 59 and name HB#) 3.0 1.2 0.8 !#A768 5.8E7 

assign (resid 64 and name HN) (resid 89 and name HG2#) 4.0 2.2 2 !#A792 1E6 

 

assign (resid 65 and name HN) (resid 89 and name HG2#) 4.0 2.2 2 !#A810 2.6E7  
assign (resid 65 and name HN) (resid 89 and name HG12) 4.0 2.2 1.5 !#A811 1.4E7 

assign (resid 66 and name HN) (resid 64 and name HB#) 4.0 2.2 1.5 !#A819 1.1E6 

assign (resid 81 and name HN) (resid 79 and name HB#) 4.0 2.2 1.5 !#A943 1.1E7 

assign (resid 84 and name HN) (resid 81 and name HB) 4.0 2.2 1.5 !#A955 5.9E7 

assign (resid 86 and name HN) (resid 85 and name HG2#) 3.0 1.2 1.5 !#A368 3.9E7 

assign (resid 88 and name HD2#) (resid 87 and name HB#) 4.0 2.2 1.5 !#A1284 3.9E6
assign (resid 88 and name HD2#) (resid 86 and name HG#) 4.0 2.2 1.5 !#A1283 2.15E6

assign (resid 96 and name HN) (resid 93 and name HN) 4.0 2.2 1.5 !#A1030 1.8E7 

assign (resid 100 and name HG1#) (resid 53 and name HA) 4.0 2.2 1.5 !#B2025 9E6 
assign (resid 100 and name HG2#) (resid 53 and name HA) 4.0 2.2 1.5 !#B2026 2.6E6 

! r19

assign (resid 3 and name HN) (resid 2 and name HB#) 4.0 2.2 1.5 !#A276 5.9E6 

assign (resid 71 and name HN) (resid 70 and name HG#) 3.0 1.2 1.2 !#A857 1E7
assign (resid 71 and name HN) (resid 70 and name HG#) 3.0 1.2 1.2 !#A858 3E7

assign (resid 100 and name HN) (resid 99 and name HB#) 4.0 2.2 1.5 !#A1085 1.6E7
assign (resid 100 and name HN) (resid 99 and name HB#) 4.0 2.2 1.5 !#A1086 4.1E7
assign (resid 100 and name HN) (resid 99 and name HG#) 4.0 2.2 1.5 !#A1084 2E7

assign (resid 40 and name HG1#) (resid 64 and name HA) 4.0 2.2 2 !#B2057 5.8E6 

assign (resid 82 and name HG1#) (resid 68 and name HB#) 4.0 2.2 1.5 !#B2098 2.1E6 
assign (resid 82 and name HG1#) (resid 68 and name HD1#) 3.0 1.2 1.5 !#B2099 6.4E7
assign (resid 82 and name HG1#) (resid 72 and name HA) 4.0 2.2 1.5 !#B2090 2.7E7
assign (resid 82 and name HG1#) (resid 68 and name HA) 3.0 1.2 0.8 !#B2092 4E7
 
assign (resid 81 and name HG2#) (resid 75 and name HA) 4.0 2.2 1.5 !#B2114 1.3E7
assign (resid 81 and name HG2#) (resid 15 and name HG2#) 3.0 1.2 1.5 !#B2120 9.2E7
assign (resid 81 and name HG2#) (resid 85 and name HD1#) 4.0 2.2 1.5 !#B2122 2E7

assign (resid 68 and name HD2#) (resid 82 and name HA) 4.0 2.2 1.5 !#B2152 5.7E6

assign (resid 40 and name HG1#) (resid 64 and name HA) 4.0 2.2 1.5 !#B2168 2.2E7 
 
assign (resid 15 and name HG2#) (resid 81 and name HG2#) 3.0 1.2 1.5 !#B2184 4.6E7

assign (resid 96 and name HD2#) (resid 44 and name HA) 4.0 2.2 1.5 !#B2210 6E6

assign (resid 82 and name HG2#) (resid 19 and name HA) 3.0 1.2 1.5 !#B2222 6.8E7

assign (resid 33 and name HG2#) (resid 67 and name HA) 4.0 2.2 1.5 !#B2244 1.6E7

assign (resid 67 and name HG2#) (resid 64 and name HA) 4.0 2.2 1.5 !#B2270 1.7E7
assign (resid 67 and name HG2#) (resid 33 and name HA) 4.0 2.2 1.5 !#B2273 1.1E7
assign (resid 67 and name HG2#) (resid 33 and name HG1#) 2.5 0.7 0.9 !#B2278 5.6E7

assign (resid 30 and name HD1#) (resid 20 and name HA) 4.0 2.2 1.5 !#B2280 1.4E7

! r20

assign (resid 30 and name HD1#) (resid 23 and name HB#) 4.0 2.2 1.5 !#B2282 7.6E6
assign (resid 30 and name HD1#) (resid 23 and name HB#) 4.0 2.2 1.5 !#B2285 1.7E7

assign (resid 89 and name HG1#) (resid 13 and name HA) 4.0 2.2 2 !#B2485 2.1E6

assign (resid 89 and name HD1#) (resid 13 and name HA) 4.0 2.2 1.5 !#B2520 1.4E7

assign (resid 85 and name HD1#) (resid 81 and name HG2#) 4.0 2.2 1.5 !#B2577 1.4E7
assign (resid 85 and name HG2#) (resid 82 and name HA) 4.0 2.2 1.5 !#B2651 3.5E7

assign (resid 92 and name HD1#) (resid 9 and name HA) 4.0 2.2 1.5 !#B2558 1.7E7
assign (resid 92 and name HD1#) (resid 8 and name HA) 4.0 2.2 1.5 !#B2560 8.9E6

assign (resid 92 and name HG2#) (resid 89 and name HA) 4.0 2.2 1.5 !#B2637 4.1E6

assign (resid 21 and name HG#) (resid 18 and name HA) 4.0 2.2 1.5 !#B2651 3.5E7


! r21 added

! Y2

assign (resid 2 and name HB#) (resid 3 and name HN) 4.0 2.2 1.5 !#B2 2.5E6

! G3

assign (resid 3 and name HA#) (resid 4 and name HN) 4.0 2.2 1.5 !#B8 1.6E7
assign (resid 3 and name HA#) (resid 4 and name HN) 3.0 1.2 0.8 !#B9 2E7

! K4

assign (resid 4 and name HA) (resid 7 and name HN) 4.0 2.2 1.5 !#B14 3.2E7
assign (resid 4 and name HA) (resid 5 and name HN) 4.0 2.2 1.5 !#B15 2.8E7
assign (resid 4 and name HA) (resid 6 and name HN) 4.0 2.2 1.5 !#B17 1.4E7

assign (resid 4 and name HB1) (resid 5 and name HN) 4.0 2.2 1.5 !#B36 2.4E6
assign (resid 4 and name HB2) (resid 5 and name HN) 4.0 2.2 1.5 !#B37 6.9E5
assign (resid 4 and name HB1) (resid 6 and name HN) 4.0 2.2 1.5 !#B38 1.3E6
assign (resid 4 and name HB2) (resid 6 and name HN) 4.0 2.2 1.5 !#B39 3.9E5
assign (resid 4 and name HB#) (resid 5 and name HD1#) 4.0 2.2 1.5 !#B50 2.6E7
assign (resid 4 and name HB#) (resid 5 and name HD2#) 4.0 2.2 1.5 !#B51 3.45E7 
assign (resid 4 and name HG#) (resid 5 and name HD1#) 4.0 2.2 1.5 !#B73 2.2E8
assign (resid 4 and name HG#) (resid 5 and name HD2#) 4.0 2.2 1.5 !#B74 2E7

! N6

assign (resid 6 and name HA) (resid 9 and name HD1#) 4.0 2.2 1.5 !#B186 1.6E7

!L9
assign (resid 9 and name HB#) (resid 96 and name HD1#) 4.0 2.2 1.5 !#B773 1.6E5
assign (resid 9 and name HB#) (resid 96 and name HD1#) 4.0 2.2 1.5 !#B774 4.8E7
assign (resid 9 and name HB#) (resid 96 and name HD2#) 4.0 2.2 1.5 !#B775 1.9E7
assign (resid 9 and name HB#) (resid 96 and name HD2#) 4.0 2.2 1.5 !#B776 2.3E6


!Q13

assign (resid 13 and name HA) (resid 89 and name HD1#) 4.0 2.2 1.5 !#B211 9.4E6
assign (resid 13 and name HA) (resid 89 and name HG1#) 4.0 2.2 1.5 !#B215 5.2E7
assign (resid 13 and name HA) (resid 89 and name HG1#) 4.0 2.2 1.5 !#B216 2.8E6

!V15

assign (resid 15 and name HA) (resid 85 and name HG2#) 4.0 2.2 1.5 !#B240 1.9E8


! L19

assign (resid 19 and name HA) (resid 30 and name HD1#) 4.0 2.2 2.0 !#B105 1.6E6
assign (resid 19 and name HA) (resid 30 and name HD2#) 4.0 2.2 1.5 !#B106 1.3E7
assign (resid 19 and name HA) (resid 82 and name HG2#) 4.0 2.2 1.5 !#B109 3.8E7

assign (resid 19 and name HB#) (resid 30 and name HD2#) 4.0 2.2 1.5 !#B881 3.8E6
assign (resid 19 and name HB#) (resid 30 and name HD2#) 4.0 2.2 1.5 !#B882 2.2E6


!H20

assign (resid 20 and name HA) (resid 30 and name HD1#) 4.0 2.2 1.5 !#B244 9.3E6
assign (resid 20 and name HA) (resid 30 and name HD2#) 4.0 2.2 1.5 !#B245 1.2E7


! D32
assign (resid 32 and name HA) (resid 33 and name HN) 4.0 2.2 1.5 !#B16 5.9E6
assign (resid 32 and name HA) (resid 34 and name HN) 4.0 2.2 1.5 !#B18 8.2E67

!V33
assign (resid 33 and name HA) (resid 67 and name HG1#) 4.0 2.2 2.0 !#B299 4.6E7
assign (resid 33 and name HA) (resid 67 and name HG2#) 4.0 2.2 1.5 !#B300 1.5E7

!H36
assign (resid 36 and name HB#) (resid 67 and name HG2#) 4.0 2.2 1.5 !#B1081 1.7E7
assign (resid 36 and name HB#) (resid 67 and name HG2#) 4.0 2.2 1.5 !#B1082 1.7E7

! L37

assign (resid 37 and name HA) (resid 67 and name HG2#) 4.0 2.2 1.5 !#B132 1.34E7
assign (resid 37 and name HA) (resid 40 and name HG2#) 4.0 2.2 1.5 !#B133 4.7E7
assign (resid 37 and name HA) (resid 40 and name HG1#) 4.0 2.2 1.5 !#B135 6.6E7

!I41

assign (resid 41 and name HA) (resid 44 and name HD1#) 4.0 2.2 1.5 !#B1314 5.5E7


!I44
assign (resid 44 and name HA) (resid 96 and name HD2#) 4.0 2.2 2 !#B379 3.7E7

!H45
assign (resid 45 and name HA) (resid 44 and name HG2#) 4.0 2.2 1.5 !#B389 3E7

!F47
assign (resid 47 and name HB#) (resid 44 and name HG2#) 4.0 2.2 1.5 !#B1201 1.2E7
assign (resid 47 and name HB#) (resid 44 and name HG2#) 4.0 2.2 1.5 !#B1203 8.2E7
assign (resid 47 and name HB#) (resid 44 and name HD1#) 4.0 2.2 1.5 !#B1202 3E7
assign (resid 47 and name HB#) (resid 44 and name HD1#) 4.0 2.2 1.5 !#B1204 3E7


!G54
assign (resid 54 and name HA#) (resid 57 and name HB#) 4.0 2.2 1.5 !#B445 1.3E7
assign (resid 54 and name HA#) (resid 57 and name HB#) 4.0 2.2 1.5 !#B446 3.3E6
assign (resid 54 and name HA#) (resid 57 and name HD2#) 4.0 2.2 1.5 !#B447 5.3E6
assign (resid 54 and name HA#) (resid 57 and name HD2#) 4.0 2.2 1.5 !#B449 2.4E6

assign (resid 54 and name HA#) (resid 100 and name HG2#) 4.0 2.2 1.5 !#B451 7.3E6
assign (resid 54 and name HA#) (resid 100 and name HG2#) 4.0 2.2 1.5 !#B452 1.4E7

!L57
assign (resid 57 and name HB#) (resid 54 and name HA#) 4.0 2.2 1.5 !#B1239 1.6E7
assign (resid 57 and name HB#) (resid 54 and name HA#) 4.0 2.2 1.5 !#B1241 1E7

!F64
assign (resid 64 and name HA) (resid 67 and name HG2#) 4.0 2.2 1.5 !#B486 8.3E6
assign (resid 64 and name HA) (resid 67 and name HG1#) 4.0 2.2 1.5 !#B488 3.4E7
assign (resid 64 and name HA) (resid 40 and name HG2#) 4.0 2.2 1.5 !#B487 1.9E7
assign (resid 64 and name HA) (resid 40 and name HG1#) 4.0 2.2 1.5 !#B489 2E7

assign (resid 64 and name HB#) (resid 40 and name HG2#) 4.0 2.2 1.5 !#B1304 1.6E6
assign (resid 64 and name HB#) (resid 40 and name HG2#) 4.0 2.2 1.5 !#B1305 8.7E6
assign (resid 64 and name HB#) (resid 89 and name HD1#) 4.0 2.2 1.5 !#B1306 1.4E6
assign (resid 64 and name HB#) (resid 89 and name HD1#) 4.0 2.2 1.5 !#B1307 4.7E6


! V67
assign (resid 67 and name HA) (resid 33 and name HG2#) 3.0 1.2 1.5 !#B507 4E7
assign (resid 67 and name HA) (resid 33 and name HG1#) 4.0 2.2 1.5 !#B505 1.9E7

 
!L68

assign (resid 68 and name HA) (resid 71 and name HD1#) 4.0 2.2 1.5 !#B165 8.7E7

!E70

assign (resid 70 and name HB#) (resid 33 and name HG2#) 4.0 2.2 1.5 !#B1387 9.3E6
assign (resid 70 and name HB#) (resid 33 and name HG2#) 4.0 2.2 1.5 !#B1388 1.1E7
assign (resid 70 and name HB#) (resid 33 and name HG1#) 4.0 2.2 1.5 !#B1389 1.1E7
assign (resid 70 and name HB#) (resid 33 and name HG1#) 4.0 2.2 1.5 !#B1390 1.4E7

!N72
assign (resid 72 and name HA) (resid 82 and name HG1#) 4.0 2.2 1.5 !#B535 2.1E7

!G78
assign (resid 78 and name HA#) (resid 75 and name HD1#) 4.0 2.2 1.5 !#B555 7E6
assign (resid 78 and name HA#) (resid 75 and name HD2#) 4.0 2.2 1.5 !#B556 1.1E7

!T81
assign (resid 81 and name HA) (resid 75 and name HD1#) 4.0 2.2 1.5 !#B581 1.1E6

!E86
assign (resid 86 and name HG#) (resid 68 and name HD2#) 3.0 1.2 1.5 !#B1847 6.4E7
assign (resid 86 and name HG#) (resid 68 and name HD2#) 4.0 2.2 1.5 !#B1848 4E7
assign (resid 86 and name HG#) (resid 68 and name HD1#) 4.0 2.2 1.5 !#B1849 1.1E7
assign (resid 86 and name HG#) (resid 68 and name HD1#) 4.0 2.2 1.5 !#B1850 6.3E6


!I89
assign (resid 89 and name HA) (resid 92 and name HD1#) 4.0 2.2 1.5 !#B630 6E7



!F93
assign (resid 93 and name HA) (resid 92 and name HG2#) 4.0 2.2 1.5 !#B666 2E7

!E97
assign (resid 97 and name HA) (resid 57 and name HD2#) 3.0 1.2 1.5 !#B694 5.9E7
assign (resid 97 and name HA) (resid 100 and name HG2#) 4.0 2.2 1.5 !#B696 3.9E7



! r22 added

! AB (I,I+3)

assign (resid 4 and name HA) (resid 7 and name HB#) 3.0 1.2 0.8 !#B26 2.5E7

assign (resid 5 and name HA) (resid 8 and name HB#) 3.0 1.2 0.8 !#B1692 3.3e7
assign (resid 5 and name HA) (resid 8 and name HB#) 3.0 1.2 0.8 !#B1694 5.5e7

assign (resid 6 and name HA) (resid 9 and name HB#) 3.0 1.2 0.8 !#B187 4.3E7

assign (resid 7 and name HA) (resid 10 and name HB#) 3.0 1.2 0.8 !#B194 4.8E6

assign (resid 8 and name HA) (resid 11 and name HB#) 3.0 1.2 0.8 !#B79 1.2E7
assign (resid 8 and name HA) (resid 11 and name HB#) 3.0 1.2 0.8 !#B81 4.1E7

assign (resid 9 and name HA) (resid 12 and name HB#) 3.0 1.2 0.8 !#B686 9.7E7
assign (resid 9 and name HA) (resid 12 and name HB#) 3.0 1.2 0.8 !#B687 1.9E7

assign (resid 11 and name HA) (resid 14 and name HB#) 3.0 1.2 0.8 !#B204 5.1E6

assign (resid 12 and name HA) (resid 15 and name HB) 3.0 1.2 0.8 !#B92 5.5E7

assign (resid 15 and name HA) (resid 18 and name HB#) 3.0 1.2 0.8 !#B244 9.3E6
assign (resid 15 and name HA) (resid 18 and name HB#) 3.0 1.2 0.8 !#B245 1.2E7

assign (resid 17 and name HA) (resid 20 and name HB#) 3.0 1.2 0.8 !#B1704 5e6

assign (resid 20 and name HA) (resid 23 and name HB#) 3.0 1.2 0.8 !#B250 4.5E6
assign (resid 20 and name HA) (resid 23 and name HB#) 3.0 1.2 0.8 !#B251 5.4E6

assign (resid 27 and name HA) (resid 30 and name HB#) 3.0 1.2 0.8 !#B1714 4.7e7

assign (resid 28 and name HA) (resid 31 and name HB#) 3.0 1.2 0.8 !#B283 5.7E6

assign (resid 30 and name HA) (resid 33 and name HB) 3.0 1.2 0.8 !#B122 1.7E7

assign (resid 31 and name HA) (resid 34 and name HB#) 3.0 1.2 0.8 !#B290 8.9E6
assign (resid 31 and name HA) (resid 34 and name HB#) 3.0 1.2 0.8 !#B291 1.1E7

assign (resid 32 and name HA) (resid 35 and name HB#) 3.0 1.2 0.8 !#B28 4E7

assign (resid 33 and name HA) (resid 36 and name HB#) 3.0 1.2 0.8 !#B303 1.2E7
assign (resid 33 and name HA) (resid 36 and name HB#) 3.0 1.2 0.8 !#B304 3.2E7

assign (resid 34 and name HA) (resid 37 and name HB#) 3.0 1.2 0.8 !#B312 
assign (resid 34 and name HA) (resid 37 and name HB#) 3.0 1.2 0.8 !#B315 

assign (resid 35 and name HA) (resid 38 and name HB#) 3.0 1.2 0.8 !#B320 1E7 

assign (resid 37 and name HA) (resid 40 and name HB) 3.0 1.2 0.8 !#B128 1.4E8

assign (resid 38 and name HA) (resid 41 and name HB) 3.0 1.2 0.8 !#B1724 1.6e7

assign (resid 39 and name HA) (resid 42 and name HB#) 3.0 1.2 0.8 !#B336 1.8E7 

assign (resid 40 and name HA) (resid 43 and name HB#) 3.0 1.2 0.8 !#B347 8.4E4
assign (resid 40 and name HA) (resid 43 and name HB#) 3.0 1.2 0.8 !#B350 2.7E7

assign (resid 42 and name HA) (resid 45 and name HB#) 3.0 1.2 0.8 !#B1764 1.9e7
assign (resid 42 and name HA) (resid 45 and name HB#) 3.0 1.2 0.8 !#B1765 2e7

assign (resid 43 and name HA) (resid 46 and name HB#) 3.0 1.2 0.8 !#B366 5.5E7

assign (resid 44 and name HA) (resid 47 and name HB#) 3.0 1.2 0.8 !#B374 2.3E7
assign (resid 44 and name HA) (resid 47 and name HB#) 3.0 1.2 0.8 !#B375 1E7
 
assign (resid 46 and name HA) (resid 49 and name HB#) 3.0 1.2 0.8 !#B400 1.11E7

assign (resid 55 and name HA#) (resid 58 and name HB#) 3.0 1.2 0.8 !#B457 1.5E7

assign (resid 56 and name HA) (resid 59 and name HB#) 3.0 1.2 0.8 !#B462 1E8
assign (resid 56 and name HA) (resid 59 and name HB#) 3.0 1.2 0.8 !#B463 4.2E7

assign (resid 57 and name HA) (resid 60 and name HB#) 3.0 1.2 0.8 !#B528 4.8E7


assign (resid 61 and name HA) (resid 64 and name HB#) 3.0 1.2 0.8 !#B141 1.4E7
assign (resid 61 and name HA) (resid 64 and name HB#) 3.0 1.2 0.8 !#B142 2.6E7

assign (resid 62 and name HA) (resid 65 and name HB#) 3.0 1.2 0.8 !#B470 1.5E8
assign (resid 62 and name HA) (resid 65 and name HB#) 3.0 1.2 0.8 !#B471 1.5E8

assign (resid 64 and name HA) (resid 67 and name HB) 3.0 1.2 0.8 !#B485 1.7E7

assign (resid 65 and name HA) (resid 68 and name HB#) 3.0 1.2 0.8 !#B495 3.3E7
assign (resid 65 and name HA) (resid 68 and name HB#) 3.0 1.2 0.8 !#B497 5.2E7

assign (resid 67 and name HA) (resid 70 and name HB#) 3.0 1.2 0.8 !#B508 9.7E6
assign (resid 67 and name HA) (resid 70 and name HB#) 3.0 1.2 0.8 !#B510 2E7


assign (resid 68 and name HA) (resid 71 and name HB#) 3.0 1.2 0.8 !#B158 3E7
assign (resid 68 and name HA) (resid 71 and name HB#) 3.0 1.2 0.8 !#B161 4.6E7

assign (resid 69 and name HA) (resid 72 and name HB#) 3.0 1.2 0.8 !#B187 4.3E7

assign (resid 70 and name HA) (resid 73 and name HB#) 3.0 1.2 0.8 !#B519 8.6E7

assign (resid 71 and name HA) (resid 74 and name HB#) 3.0 1.2 0.8 !#B1732 1.4e7
assign (resid 71 and name HA) (resid 74 and name HB#) 3.0 1.2 0.8 !#B1733 2.4e7

assign (resid 79 and name HA) (resid 82 and name HB) 3.0 1.2 0.8 !#B1752 7.5e7

assign (resid 80 and name HA) (resid 83 and name HB#) 3.0 1.2 0.8 !#B566 3.8E7

assign (resid 81 and name HA) (resid 84 and name HB#) 3.0 1.2 0.8 !#B575 1.3E7
assign (resid 81 and name HA) (resid 84 and name HB#) 3.0 1.2 0.8 !#B576 1.1E7

assign (resid 83 and name HA) (resid 86 and name HB#) 3.0 1.2 0.8 !#B569 1.8E7

assign (resid 84 and name HA) (resid 87 and name HB#) 3.0 1.2 0.8 !#B604 5.6E7

assign (resid 85 and name HA) (resid 88 and name HB#) 3.0 1.2 0.8 !#B609 1E7
assign (resid 85 and name HA) (resid 88 and name HB#) 3.0 1.2 0.8 !#B610 5.7E6

assign (resid 89 and name HA) (resid 92 and name HB) 3.0 1.2 0.8 !#B626 4.44E7

assign (resid 90 and name HA) (resid 93 and name HB#) 3.0 1.2 0.8 !#B642 3.1E7

assign (resid 91 and name HA) (resid 94 and name HB#) 3.0 1.2 0.8 !#B1766 3.4e7

assign (resid 92 and name HA) (resid 95 and name HB#) 3.0 1.2 0.8 !#B656 2.4E7

assign (resid 93 and name HA) (resid 96 and name HB#) 3.0 1.2 0.8 !#B667 6E6
assign (resid 93 and name HA) (resid 96 and name HB#) 3.0 1.2 0.8 !#B668 1.3E7

assign (resid 94 and name HA) (resid 97 and name HB#) 3.0 1.2 0.8 !#B679 3.7E7
assign (resid 94 and name HA) (resid 97 and name HB#) 3.0 1.2 0.8 !#B680 4.4E7

assign (resid 95 and name HA) (resid 98 and name HB#) 3.0 1.2 0.8 !#B1745 4.3e7


assign (resid 96 and name HA) (resid 99 and name HB#) 3.0 1.2 0.8 !#B170 8.6E7
assign (resid 96 and name HA) (resid 99 and name HB#) 3.0 1.2 0.8 !#B171 6.1E7

assign (resid 97 and name HA) (resid 100 and name HB) 3.0 1.2 0.8 !#B698 6.7E7

assign (resid 99 and name HA) (resid 102 and name HB#) 3.0 1.2 0.8 !#B180 1.6E7



!BA (I,I-3)

assign (resid 8 and name HB#) (resid 5 and name HA) 3.0 1.2 0.8 !#B759 3.8E7
assign (resid 8 and name HB#) (resid 5 and name HA) 3.0 1.2 0.8 !#B760 1.2E7

assign (resid 9 and name HB#) (resid 6 and name HA) 3.0 1.2 0.8 !#B768 2.44E7
assign (resid 9 and name HB#) (resid 6 and name HA) 3.0 1.2 0.8 !#B769 5.5E6

assign (resid 10 and name HB#) (resid 7 and name HA) 3.0 1.2 0.8 !#B781 7.4E6

assign (resid 11 and name HB#) (resid 8 and name HA) 3.0 1.2 0.8 !#B788 2.5E7
assign (resid 11 and name HB#) (resid 8 and name HA) 3.0 1.2 0.8 !#B790 3.2E7

assign (resid 12 and name HB#) (resid 9 and name HA) 3.0 1.2 0.8 !#B807 2.8E7
assign (resid 12 and name HB#) (resid 9 and name HA) 3.0 1.2 0.8 !#B808 4.3E7

assign (resid 13 and name HB#) (resid 10 and name HA) 3.0 1.2 0.8 !#B819 1.2E8
assign (resid 13 and name HB#) (resid 10 and name HA) 3.0 1.2 0.8 !#B820 1.5E7

assign (resid 14 and name HB#) (resid 11 and name HA) 3.0 1.2 0.8 !#B830 5.1E6

assign (resid 15 and name HB) (resid 12 and name HA) 3.0 1.2 0.8 !#B838 8.8E4

assign (resid 18 and name HB#) (resid 15 and name HA) 3.0 1.2 0.8 !#B863 2.4E6
assign (resid 18 and name HB#) (resid 15 and name HA) 3.0 1.2 0.8 !#B864 3.9E6

assign (resid 19 and name HB#) (resid 16 and name HA) 3.0 1.2 0.8 !#B874 1.7E7
assign (resid 19 and name HB#) (resid 16 and name HA) 3.0 1.2 0.8 !#B876 6.1E7

assign (resid 21 and name HB#) (resid 18 and name HA) 3.0 1.2 0.8 !#B903 2E7

assign (resid 22 and name HB#) (resid 19 and name HA) 3.0 1.2 0.8 !#B924 4.3E6
assign (resid 22 and name HB#) (resid 19 and name HA) 3.0 1.2 0.8 !#B925 2.6E7

assign (resid 30 and name HB#) (resid 27 and name HA) 3.0 1.2 0.8 !#B722 2.3E6
assign (resid 30 and name HB#) (resid 27 and name HA) 3.0 1.2 0.8 !#B723 1.5E7

assign (resid 32 and name HB#) (resid 29 and name HA) 3.0 1.2 0.8 !#B1011 3.6E7
assign (resid 32 and name HB#) (resid 29 and name HA) 3.0 1.2 0.8 !#B1012 1.9E7

assign (resid 33 and name HB) (resid 30 and name HA) 3.0 1.2 0.8 !#B1031 1.4E7

assign (resid 34 and name HB#) (resid 31 and name HA) 3.0 1.2 0.8 !#B1041 6E7
assign (resid 34 and name HB#) (resid 31 and name HA) 3.0 1.2 0.8 !#B1042 4.2E7

assign (resid 35 and name HB#) (resid 32 and name HA) 3.0 1.2 0.8 !#B1060 5.8E7
assign (resid 35 and name HB#) (resid 32 and name HA) 3.0 1.2 0.8 !#B1061 5.3E7

assign (resid 36 and name HB#) (resid 33 and name HA) 3.0 1.2 0.8 !#B1074 8.1E6
assign (resid 36 and name HB#) (resid 33 and name HA) 3.0 1.2 0.8 !#B1075 5.7E6

assign (resid 37 and name HB#) (resid 34 and name HA) 3.0 1.2 0.8 !#B1087 2.7E7
assign (resid 37 and name HB#) (resid 34 and name HA) 3.0 1.2 0.8 !#B1088 1.3E8

assign (resid 39 and name HB#) (resid 36 and name HA) 3.0 1.2 0.8 !#B1110 1E7
assign (resid 39 and name HB#) (resid 36 and name HA) 3.0 1.2 0.8 !#B1112 1.9E7

assign (resid 40 and name HB) (resid 37 and name HA) 3.0 1.2 0.8 !#B1122 9.7E6

assign (resid 42 and name HB#) (resid 39 and name HA) 3.0 1.2 0.8 !#B780 3.4E7

assign (resid 43 and name HB#) (resid 40 and name HA) 3.0 1.2 0.8 !#B1137 1.6E7
assign (resid 43 and name HB#) (resid 40 and name HA) 3.0 1.2 0.8 !#B1138 1.3E7

assign (resid 44 and name HB) (resid 41 and name HA) 3.0 1.2 0.8 !#B1168 1.7E7

assign (resid 45 and name HB#) (resid 42 and name HA) 3.0 1.2 0.8 !#B1177 2.2E7
assign (resid 45 and name HB#) (resid 42 and name HA) 3.0 1.2 0.8 !#B1178 2.8E7

assign (resid 46 and name HB#) (resid 43 and name HA) 3.0 1.2 0.8 !#B1187 8.3E7
assign (resid 46 and name HB#) (resid 43 and name HA) 3.0 1.2 0.8 !#B1188 7.8E7

assign (resid 47 and name HB#) (resid 44 and name HA) 3.0 1.2 0.8 !#B1196 6.8E6
assign (resid 47 and name HB#) (resid 44 and name HA) 3.0 1.2 0.8 !#B1197 1.8E7

assign (resid 49 and name HB#) (resid 46 and name HA) 3.0 1.2 0.8 !#B1209 3.6E6
assign (resid 49 and name HB#) (resid 46 and name HA) 3.0 1.2 0.8 !#B1210 1.5E7

assign (resid 60 and name HB#) (resid 57 and name HA) 3.0 1.2 0.8 !#B1259 6.9E7

assign (resid 62 and name HB#) (resid 59 and name HA) 3.0 1.2 0.8 !#B1218 1.4E8

assign (resid 63 and name HB#) (resid 60 and name HA) 3.0 1.2 0.8 !#B1275 1.2E8

assign (resid 64 and name HB#) (resid 61 and name HA) 3.0 1.2 0.8 !#B1297 2.3E7
assign (resid 64 and name HB#) (resid 61 and name HA) 3.0 1.2 0.8 !#B1299 4.8E6

assign (resid 66 and name HB#) (resid 63 and name HA) 3.0 1.2 0.8 !#B1325 5.2E7
assign (resid 66 and name HB#) (resid 63 and name HA) 3.0 1.2 0.8 !#B1326 2.4E7

assign (resid 67 and name HB) (resid 64 and name HA) 3.0 1.2 0.8 !#B1339 2.2E7

assign (resid 68 and name HB#) (resid 65 and name HA) 3.0 1.2 0.8 !#B1350 2.7E7
assign (resid 68 and name HB#) (resid 65 and name HA) 3.0 1.2 0.8 !#B1351 4E7

assign (resid 69 and name HB#) (resid 66 and name HA) 3.0 1.2 0.8 !#B1368 2.3E7

assign (resid 70 and name HB#) (resid 67 and name HA) 3.0 1.2 0.8 !#B1381 1.1E7
assign (resid 70 and name HB#) (resid 67 and name HA) 3.0 1.2 0.8 !#B1382 4.8E6

assign (resid 71 and name HB#) (resid 68 and name HA) 3.0 1.2 0.8 !#B1396 9.4E6
assign (resid 71 and name HB#) (resid 68 and name HA) 3.0 1.2 0.8 !#B1398 2.1E7

assign (resid 72 and name HB#) (resid 69 and name HA) 3.0 1.2 0.8 !#B1416 4.2E7
assign (resid 72 and name HB#) (resid 69 and name HA) 3.0 1.2 0.8 !#B1419 1E8

assign (resid 73 and name HB#) (resid 70 and name HA) 3.0 1.2 0.8 !#B1431 2.8E7
assign (resid 73 and name HB#) (resid 70 and name HA) 3.0 1.2 0.8 !#B1432 4.8E7

assign (resid 82 and name HB#) (resid 79 and name HA) 3.0 1.2 0.8 !#B1491 7.7E6

assign (resid 84 and name HB#) (resid 81 and name HA) 3.0 1.2 0.8 !#B1503 4.8E7
assign (resid 84 and name HB#) (resid 81 and name HA) 3.0 1.2 0.8 !#B1504 2.9E7

assign (resid 85 and name HB) (resid 82 and name HA) 3.0 1.2 0.8 !#B1514 2.1E7

assign (resid 90 and name HB#) (resid 87 and name HA) 3.0 1.2 0.8 !#B1553 1.8e7
assign (resid 90 and name HB#) (resid 87 and name HA) 3.0 1.2 0.8 !#B1554 1.8e7

assign (resid 92 and name HB) (resid 89 and name HA) 3.0 1.2 0.8 !#B1561 2.3e7

assign (resid 93 and name HB#) (resid 90 and name HA) 3.0 1.2 0.8 !#B1576 1.7e7
assign (resid 93 and name HB#) (resid 90 and name HA) 3.0 1.2 0.8 !#B1577 2e7

assign (resid 96 and name HB#) (resid 93 and name HA) 3.0 1.2 0.8 !#B1586 1e7
assign (resid 96 and name HB#) (resid 93 and name HA) 3.0 1.2 0.8 !#B1587 3.5e7

assign (resid 100 and name HB) (resid 97 and name HA) 3.0 1.2 0.8 !#B1626 3.3e6

assign (resid 101 and name HB#) (resid 98 and name HA) 3.0 1.2 0.8 !#B1637 1.6e7
assign (resid 101 and name HB#) (resid 98 and name HA) 3.0 1.2 0.8 !#B1638 3.1e7
 

! r23

assign (resid 1 and name HA) (resid 2 and name HN) 4.0 2.2 1.5 !#B1684 4.5E6
assign (resid 1 and name HA) (resid 2 and name HD#) 4.0 2.2 1.5 !#B1685 6.5E5


assign (resid 4 and name HA) (resid 3 and name HN) 4.0 2.2 1.5 !#B19 2E6

assign (resid 5 and name HA) (resid 6 and name HN) 4.0 2.2 1.5 !#B1697 7.6E6


assign (resid 32 and name HA) (resid 35 and name HD2#) 4.0 2.2 1.5 !#B20 4.9E6
assign (resid 32 and name HA) (resid 35 and name HD2#) 4.0 2.2 1.5 !#B22 3.2E6

assign (resid 8 and name HA) (resid 9 and name HN) 3.0 1.2 1.5 !#B77 3.2E7
assign (resid 8 and name HA) (resid 9 and name HN) 4.0 2.2 1.5 !#B78 1.5E7
assign (resid 8 and name HA) (resid 7 and name HB#) 4.0 2.2 1.5 !#B80 2.9E7

assign (resid 12 and name HA) (resid 13 and name HN) 4.0 2.2 1.5 !#B87 5E6
assign (resid 12 and name HA) (resid 14 and name HN) 4.0 2.2 1.5 !#B89 4.4E7
assign (resid 12 and name HA) (resid 15 and name HN) 4.0 2.2 1.5 !#B89 4.4E7
assign (resid 12 and name HA) (resid 11 and name HN) 4.0 2.2 1.5 !#B88 8.8E6
assign (resid 12 and name HA) (resid 15 and name HG2#) 3.9 1.2 1.5 !#B95 3.9E7

assign (resid 16 and name HA) (resid 17 and name HN) 4.0 2.2 1.5 !#B97 2.5E7
assign (resid 16 and name HA) (resid 19 and name HN) 4.0 2.2 1.5 !#B98 5.7E6

assign (resid 19 and name HA) (resid 18 and name HN) 4.0 2.2 1.5 !#B103 4E7
assign (resid 19 and name HA) (resid 20 and name HN) 3.0 1.2 1.5 !#B104 7.1E7

assign (resid 30 and name HA) (resid 31 and name HN) 4.0 2.2 1.5 !#B115 8E5
assign (resid 30 and name HA) (resid 33 and name HN) 4.0 2.2 1.5 !#B116 1.3E6
assign (resid 30 and name HA) (resid 33 and name HG2#) 4.0 2.2 1.5 !#B120 4.2E6

assign (resid 37 and name HA) (resid 39 and name HN) 4.0 2.2 1.5 !#B125 2.5E7
assign (resid 37 and name HA) (resid 38 and name HN) 3.0 1.2 0.8 !#B126 2.3E7
assign (resid 37 and name HA) (resid 40 and name HN) 3.0 1.2 0.8 !#B127 4.5E6
assign (resid 37 and name HA) (resid 41 and name HN) 4.0 2.2 1.5 !#B127 4.5E6
assign (resid 37 and name HA) (resid 12 and name HD2#) 4.0 2.2 1.5 !#B136 2.7E8 ovl 37D

assign (resid 61 and name HA) (resid 57 and name HD1#) 4.0 2.2 1.5 !#B137 4.3E7
assign (resid 61 and name HA) (resid 60 and name HB#) 4.0 2.2 1.5 !#B145 1.9E8
assign (resid 61 and name HA) (resid 63 and name HN) 4.0 2.2 1.5 !#B146 2.4E7
assign (resid 61 and name HA) (resid 65 and name HN) 4.0 2.2 1.5 !#B146 2.4E7
assign (resid 61 and name HA) (resid 62 and name HN) 4.0 2.2 1.5 !#B149 5.24E6
assign (resid 61 and name HA) (resid 64 and name HN) 4.0 2.2 1.5 !#B147 7.8E6
assign (resid 61 and name HA) (resid 64 and name HZ#) 4.0 2.2 1.5 !#B150 2.1E6
assign (resid 61 and name HA) (resid 64 and name HE#) 4.0 2.2 1.5 !#B151 1.2E7
assign (resid 61 and name HA) (resid 64 and name HD#) 4.0 2.2 1.5 !#B152 1.6E7

assign (resid 68 and name HA) (resid 72 and name HN) 4.0 2.2 1.5 !#B154 1.5E7
assign (resid 68 and name HA) (resid 69 and name HN) 4.0 2.2 1.5 !#B155 3.4E7
assign (resid 68 and name HA) (resid 71 and name HN) 4.0 2.2 1.5 !#B156 4.8E6

assign (resid 96 and name HA) (resid 99 and name HN) 4.0 2.2 1.5 !#B173 1e7
assign (resid 96 and name HA) (resid 98 and name HN) 4.0 2.2 1.5 !#B174 2.7E6
assign (resid 96 and name HA) (resid 100 and name HN) 4.0 2.2 1.5 !#B174 2.7E6

assign (resid 99 and name HA) (resid 100 and name HN) 4.0 2.2 1.5 !#B176 4.8e6

assign (resid 6 and name HA) (resid 7 and name HN) 4.0 2.2 1.5 !#B185 1.6e7

assign (resid 7 and name HA) (resid 10 and name HN) 4.0 2.2 1.5 !#B192 3.4E6
assign (resid 7 and name HA) (resid 10 and name HG#) 4.0 2.2 1.5 !#B198 6.6E6

assign (resid 11 and name HA) (resid 14 and name HN) 4.0 2.2 1.5 !#B200 8.5E6

assign (resid 13 and name HA) (resid 16 and name HN) 3.0 1.2 0.8 !#B206 4.7E7
assign (resid 13 and name HA) (resid 14 and name HN) 4.0 2.2 1.5 !#B207 4.3E6
assign (resid 13 and name HA) (resid 12 and name HD1#) 4.0 2.2 1.5 !#B214 5.8E7
assign (resid 13 and name HA) (resid 16 and name HA) 4.0 2.2 1.5 !#B226 5.6E7

!r24 added

assign (resid 15 and name HA) (resid 16 and name HN) 4.0 2.2 1.5 !#B229 1.5e7
assign (resid 15 and name HA) (resid 18 and name HN) 4.0 2.2 1.5 !#B230 7.3E6
assign (resid 15 and name HA) (resid 16 and name HA) 4.0 2.2 1.5 !#B238 3E7

assign (resid 20 and name HA) (resid 24 and name HN) 4.0 2.2 1.5 !#B243 5.3E7
assign (resid 20 and name HA) (resid 30 and name HG) 4.0 2.2 1.5 !#B246 1.6E7

assign (resid 21 and name HA) (resid 22 and name HN) 4.0 2.2 1.5 !#B254 1.1E7

assign (resid 25 and name HA#) (resid 26 and name HN) 4.0 2.2 1.5 !#B259 2E7
assign (resid 25 and name HA#) (resid 26 and name HN) 4.0 2.2 1.5 !#B265 1.4E7
assign (resid 25 and name HA#) (resid 23 and name HE1) 4.0 2.2 1.5 !#B262 1E6
assign (resid 25 and name HA#) (resid 23 and name HE1) 4.0 2.2 1.5 !#B263 1.4E6

assign (resid 26 and name HA#) (resid 27 and name HN) 3.0 1.2 0.8 !#B271 8.6E7
assign (resid 26 and name HA#) (resid 29 and name HN) 4.0 2.2 1.5 !#B272 2.4E6
assign (resid 26 and name HA#) (resid 25 and name HN) 4.0 2.2 1.5 !#B273 7E5
assign (resid 26 and name HA#) (resid 23 and name HE1) 4.0 2.2 1.5 !#B274 3.2E6
assign (resid 26 and name HA#) (resid 28 and name HN) 4.0 2.2 1.5 !#B276 1.6E6
assign (resid 26 and name HA#) (resid 27 and name HA) 4.0 2.2 1.5 !#B277 1.1E8
assign (resid 26 and name HA#) (resid 27 and name HB#) 4.0 2.2 1.5 !#B278 1.3E6

assign (resid 28 and name HA) (resid 29 and name HN) 4.0 2.2 1.5 !#B280 6.8E6
assign (resid 28 and name HA) (resid 27 and name HN) 4.0 2.2 1.5 !#B281 1.1E6

assign (resid 31 and name HA) (resid 32 and name HN) 3.0 1.2 0.8 !#B285 4.9E7
assign (resid 31 and name HA) (resid 34 and name HN) 4.0 2.2 1.5 !#B287 1.5E7
assign (resid 31 and name HA) (resid 30 and name HB#) 4.0 2.2 1.5 !#B292 1E7
assign (resid 31 and name HA) (resid 30 and name HB#) 4.0 2.2 1.5 !#B293 7.9E6

assign (resid 33 and name HA) (resid 34 and name HN) 3.0 1.2 0.8 !#B295 1.8E7
assign (resid 33 and name HA) (resid 37 and name HN) 4.0 2.2 1.5 !#B296 3.2E6

assign (resid 34 and name HA) (resid 35 and name HN) 4.0 2.2 1.5 !#B309 2E6
assign (resid 34 and name HA) (resid 37 and name HN) 4.0 2.2 1.5 !#B310 1.5E6
assign (resid 34 and name HA) (resid 37 and name HD2#) 4.0 2.2 1.5 !#B314 3.4E7

assign (resid 35 and name HA) (resid 36 and name HN) 4.0 2.2 1.5 !#B318 4.4E6
assign (resid 35 and name HA) (resid 38 and name HN) 4.0 2.2 1.5 !#B319 8E6

assign (resid 39 and name HA) (resid 40 and name HN) 4.0 2.2 1.5 !#B334 6.8E6

assign (resid 40 and name HA) (resid 43 and name HN) 4.0 2.2 1.5 !#B341 1.5E7
assign (resid 40 and name HA) (resid 41 and name HN) 3.0 1.2 0.8 !#B342 4.7E7

assign (resid 41 and name HA) (resid 43 and name HN) 4.0 2.2 1.5 !#B1308 6.8E6
assign (resid 41 and name HA) (resid 42 and name HN) 4.0 2.2 1.5 !#B1309 2.6E7
assign (resid 41 and name HA) (resid 40 and name HN) 4.0 2.2 1.5 !#B1309 2.6E7

assign (resid 44 and name HA) (resid 47 and name HN) 4.0 2.2 1.5 !#B369 1.7e7
assign (resid 44 and name HA) (resid 45 and name HN) 4.0 2.2 1.5 !#B370 4.3e6
assign (resid 44 and name HA) (resid 45 and name HB#) 4.0 2.2 1.5 !#B372 1.4E8
assign (resid 44 and name HA) (resid 96 and name HD1#) 4.0 2.2 2 !#B378 4.6E6

assign (resid 45 and name HA) (resid 48 and name HN) 4.0 2.2 1.5 !#B382 8.1E6
assign (resid 45 and name HA) (resid 46 and name HN) 4.0 2.2 1.5 !#B383 1.3E7
assign (resid 45 and name HA) (resid 48 and name HB#) 4.0 2.2 1.5 !#B387 5.3E7

assign (resid 46 and name HA) (resid 47 and name HN) 4.0 2.2 1.5 !#B394 3.1E6
assign (resid 46 and name HA) (resid 48 and name HN) 4.0 2.2 1.5 !#B394 3.1E6

assign (resid 47 and name HA) (resid 48 and name HN) 4.0 2.2 1.5 !#B403 1.7E7
assign (resid 47 and name HA) (resid 51 and name HN) 4.0 2.2 1.5 !#B404 5.6E6
assign (resid 47 and name HA) (resid 50 and name HN) 4.0 2.2 1.5 !#B405 1.4E6
assign (resid 47 and name HA) (resid 46 and name HN) 4.0 2.2 1.5 !#B407 1.4E6

assign (resid 49 and name HA) (resid 50 and name HN) 4.0 2.2 1.5 !#B410 2.1E6

assign (resid 50 and name HA#) (resid 51 and name HN) 4.0 2.2 1.5 !#B417 8.7E5
assign (resid 50 and name HA#) (resid 51 and name HN) 4.0 2.2 1.5 !#B418 2E6

assign (resid 52 and name HA#) (resid 53 and name HN) 4.0 2.2 1.5 !#B427 2.8E7
assign (resid 52 and name HA#) (resid 53 and name HN) 4.0 2.2 1.5 !#B428 2.8E7

assign (resid 54 and name HA#) (resid 55 and name HN) 4.0 2.2 1.5 !#B437 6.3E6
assign (resid 54 and name HA#) (resid 55 and name HN) 4.0 2.2 1.5 !#B441 1.4E7
assign (resid 54 and name HA#) (resid 57 and name HN) 4.0 2.2 1.5 !#B442 4.6E6

assign (resid 55 and name HA#) (resid 56 and name HN) 4.0 2.2 1.5 !#B453 2.2E7
assign (resid 55 and name HA#) (resid 58 and name HN) 4.0 2.2 1.5 !#B454 9.1E6
assign (resid 55 and name HA#) (resid 54 and name HN) 4.0 2.2 1.5 !#B456 3.9E6
assign (resid 55 and name HA#) (resid 58 and name HG#) 4.0 2.2 1.5 !#B458 6.3E6

assign (resid 56 and name HA) (resid 59 and name HN) 3.0 1.2 0.8 !#B464 4.9E7
assign (resid 56 and name HA) (resid 60 and name HN) 4.0 2.2 1.5 !#B465 1.9E7
assign (resid 56 and name HA) (resid 61 and name HN) 4.0 2.2 1.5 !#B466 1.3E7

assign (resid 62 and name HA) (resid 63 and name HN) 3.0 1.2 0.8 !#B468 6.5E7
assign (resid 62 and name HA) (resid 65 and name HG#) 4.0 2.2 1.5 !#B472 6.5E7

assign (resid 64 and name HA) (resid 65 and name HN) 4.0 2.2 1.5 !#B478 1.4E7
assign (resid 64 and name HA) (resid 67 and name HN) 4.0 2.2 1.5 !#B479 2E6

assign (resid 65 and name HA) (resid 66 and name HN) 4.0 2.2 1.5 !#B491 9.7E6
assign (resid 65 and name HA) (resid 68 and name HD1#) 4.0 2.2 2 !#B494 4.9E7

assign (resid 67 and name HA) (resid 68 and name HN) 4.0 2.2 1.5 !#B503 6.3E6

assign (resid 70 and name HA) (resid 71 and name HN) 4.0 2.2 1.5 !#B516 9E6

assign (resid 57 and name HA) (resid 60 and name HN) 4.0 2.2 1.5 !#B521 3.9E6
assign (resid 57 and name HA) (resid 58 and name HN) 4.0 2.2 1.5 !#B523 1E6
assign (resid 57 and name HA) (resid 60 and name HG#) 4.0 2.2 1.5 !#B529 1E7

assign (resid 72 and name HA) (resid 73 and name HN) 4.0 2.2 1.5 !#B531 1.2E7
assign (resid 72 and name HA) (resid 82 and name HG2#) 4.0 2.2 1.5 !#B536 1.25E7

assign (resid 76 and name HA) (resid 77 and name HN) 4.0 2.2 1.5 !#B539 1.7E7

assign (resid 77 and name HA#) (resid 78 and name HN) 4.0 2.2 1.5 !#B549 5.9E6
assign (resid 77 and name HA#) (resid 78 and name HN) 4.0 2.2 1.5 !#B550 5.9E6

assign (resid 78 and name HA#) (resid 79 and name HN) 4.0 2.2 1.5 !#B555 7E6
assign (resid 78 and name HA#) (resid 79 and name HN) 4.0 2.2 1.5 !#B556 1.1E7

assign (resid 83 and name HA) (resid 82 and name HG2#) 4.0 2.2 1.5 !#B570 5.4E7

assign (resid 81 and name HA) (resid 82 and name HN) 4.0 2.2 1.5 !#B572 8.6E5
assign (resid 81 and name HA) (resid 84 and name HN) 4.0 2.2 1.5 !#B573 5.2E6

assign (resid 82 and name HA) (resid 83 and name HN) 4.0 2.2 1.5 !#B585 1.5E7
assign (resid 82 and name HA) (resid 85 and name HD1#) 3.0 1.2 0.8 !#B591 1.44E8

assign (resid 84 and name HA) (resid 85 and name HN) 4.0 2.2 1.5 !#B595 1.5E7
assign (resid 84 and name HA) (resid 87 and name HN) 4.0 2.2 1.5 !#B595 1.5E7
assign (resid 84 and name HA) (resid 86 and name HN) 4.0 2.2 1.5 !#B596 6.5E6
assign (resid 84 and name HA) (resid 83 and name HA) 4.0 2.2 1.5 !#B602 2E6

assign (resid 85 and name HA) (resid 86 and name HN) 4.0 2.2 1.5 !#B606 6.8E6
assign (resid 85 and name HA) (resid 88 and name HN) 4.0 2.2 1.5 !#B607 3.9E6

assign (resid 87 and name HA) (resid 88 and name HN) 4.0 2.2 1.5 !#B619 7.5E6

assign (resid 89 and name HA) (resid 91 and name HN) 4.0 2.2 1.5 !#B622 1.8E6
assign (resid 89 and name HA) (resid 92 and name HN) 4.0 2.2 1.5 !#B623 1.1E7
assign (resid 89 and name HA) (resid 90 and name HN) 4.0 2.2 1.5 !#B624 6.2E6
assign (resid 89 and name HA) (resid 93 and name HN) 4.0 2.2 1.5 !#B625 3.8E6

assign (resid 90 and name HA) (resid 91 and name HN) 4.0 2.2 1.5 !#B633 2.6E6
assign (resid 90 and name HA) (resid 93 and name HN) 4.0 2.2 1.5 !#B635 5.1E6

assign (resid 92 and name HA) (resid 95 and name HN) 4.0 2.2 1.5 !#B647 5.6E6
assign (resid 92 and name HA) (resid 96 and name HN) 4.0 2.2 1.5 !#B648 2.5E6
assign (resid 92 and name HA) (resid 93 and name HN) 4.0 2.2 1.5 !#B649 4.7E6
assign (resid 92 and name HA) (resid 89 and name HG1#) 4.0 2.2 1.5 !#B654 2.3E7
assign (resid 92 and name HA) (resid 89 and name HA) 4.0 2.2 1.5 !#B657 5.4E6

assign (resid 93 and name HA) (resid 96 and name HN) 4.0 2.2 1.5 !#B662 9.9E6
assign (resid 93 and name HA) (resid 94 and name HN) 4.0 2.2 1.5 !#B663 7.3E6
assign (resid 93 and name HA) (resid 96 and name HD1#) 4.0 2.2 1.5 !#B664 1.6E7
assign (resid 93 and name HA) (resid 96 and name HD2#) 4.0 2.2 1.5 !#B665 2E7 

assign (resid 94 and name HA) (resid 95 and name HN) 4.0 2.2 1.5 !#B670 2.2E7
assign (resid 94 and name HA) (resid 97 and name HN) 4.0 2.2 1.5 !#B670 2.2E7
assign (resid 94 and name HA) (resid 98 and name HN) 4.0 2.2 1.5 !#B671 5.3E6
assign (resid 94 and name HA) (resid 95 and name HA) 4.0 2.2 1.5 !#B675 3.4E8

assign (resid 9 and name HA) (resid 10 and name HN) 4.0 2.2 1.5 !#B682 5.7E6
assign (resid 9 and name HA) (resid 12 and name HN) 4.0 2.2 1.5 !#B683 1.2E7
assign (resid 9 and name HA) (resid 13 and name HN) 4.0 2.2 1.5 !#B684 1.1E7
assign (resid 9 and name HA) (resid 96 and name HD2#) 3.0 1.2 0.8 !#B689 5.7E7

assign (resid 97 and name HA) (resid 98 and name HN) 4.0 2.2 1.5 !#B691 9.8E6
assign (resid 97 and name HA) (resid 100 and name HN) 4.0 2.2 1.5 !#B691 9.8E6
assign (resid 97 and name HA) (resid 99 and name HN) 4.0 2.2 1.5 !#B692 5E6

assign (resid 98 and name HA) (resid 99 and name HN) 4.0 2.2 1.5 !#B700 5.6E6

assign (resid 100 and name HA) (resid 101 and name HN) 3.0 1.2 0.8 !#B705 3.8e7
assign (resid 100 and name HA) (resid 101 and name HA) 4.0 2.2 1.5 !#B713 4.8e6

assign (resid 1 and name HA) (resid 2 and name HN) 4.0 2.2 1.5 !#B1684 4.5E6
assign (resid 1 and name HA) (resid 2 and name HD#) 4.0 2.2 1.5 !#B1685 6.5E5

assign (resid 5 and name HA) (resid 6 and name HN) 4.0 2.2 1.5 !#B1697 7.6E6
assign (resid 5 and name HA) (resid 8 and name HN) 4.0 2.2 1.5 !#B1698 4.1E6

assign (resid 10 and name HA) (resid 11 and name HN) 3.0 1.2 0.8 !#B1700 1.1E8

assign (resid 17 and name HA) (resid 18 and name HN) 3.0 1.2 0.8 !#B1702 2.4E7

assign (resid 27 and name HA) (resid 23 and name HE1) 4.0 2.2 1.5 !#B1709 4.9E6
assign (resid 27 and name HA) (resid 28 and name HN) 3.0 1.2 0.8 !#B1711 1.8E7
assign (resid 27 and name HA) (resid 30 and name HN) 4.0 2.2 1.5 !#B1712 4E6
assign (resid 27 and name HA) (resid 30 and name HD1#) 4.0 2.2 1.5 !#B1715 1.3E7

assign (resid 38 and name HA) (resid 41 and name HN) 3.0 1.2 0.8 !#B1717 3.6E7
assign (resid 38 and name HA) (resid 39 and name HN) 3.0 1.2 0.8 !#B1718 2.4E6
assign (resid 38 and name HA) (resid 41 and name HD1#) 3.0 1.2 1.5 !#B1719 9.1E7

assign (resid 71 and name HA) (resid 72 and name HN) 3.0 1.2 0.8 !#B1726 8.1E6

assign (resid 95 and name HA) (resid 96 and name HN) 3.0 1.2 0.8 !#B1737 6.6E6
assign (resid 95 and name HA) (resid 98 and name HN) 3.0 1.2 0.8 !#B1738 7.1E6
assign (resid 95 and name HA) (resid 98 and name HG#) 4.0 2.2 1.5 !#B1743 8.5E6
assign (resid 95 and name HA) (resid 98 and name HG#) 4.0 2.2 1.5 !#B1744 1.3E7

assign (resid 79 and name HA) (resid 80 and name HN) 3.0 1.2 0.8 !#B1746 1.6E7

assign (resid 86 and name HA) (resid 87 and name HN) 3.0 1.2 0.8 !#B1754 1.5E7

assign (resid 42 and name HA) (resid 43 and name HN) 3.0 1.2 0.8 !#B1758 1.3E7

assign (resid 91 and name HA) (resid 94 and name HN) 3.0 1.2 0.8 !#B1771 1.1E7

assign (resid 60 and name HA) (resid 61 and name HN) 3.0 1.2 0.8 !#B1774 2.7E7
assign (resid 60 and name HA) (resid 59 and name HN) 4.0 2.2 1.5 !#B1775 4.3E7

assign (resid 59 and name HA) (resid 60 and name HN) 3.0 1.2 0.8 !#B1777 1.6E7
assign (resid 59 and name HA) (resid 62 and name HN) 3.0 1.2 0.8 !#B1778 3.1E7

assign (resid 58 and name HA) (resid 59 and name HN) 3.0 1.2 0.8 !#B1789 4.4E6

assign (resid 63 and name HA) (resid 64 and name HN) 3.0 1.2 0.8 !#B1795 1.2E7
assign (resid 63 and name HA) (resid 40 and name HG2#) 4.0 2.2 1.5 !#B1801 2.8E7
assign (resid 63 and name HA) (resid 40 and name HG1#) 4.0 2.2 1.5 !#B1802 2.8E7

! r25 add, CBs

assign (resid 30 and name HB#) (resid 31 and name HN) 4.0 2.2 1.5 !#B726 9.6E5
assign (resid 30 and name HB#) (resid 31 and name HN) 4.0 2.2 1.5 !#B727 1E7
assign (resid 30 and name HB#) (resid 23 and name HE1) 4.0 2.2 1.5 !#B728 6.2E5
assign (resid 30 and name HB#) (resid 23 and name HE1) 4.0 2.2 1.5 !#B729 3.7E6
assign (resid 30 and name HB#) (resid 27 and name HB#) 4.0 2.2 1.5 !#B719 7.2E7

assign (resid 6 and name HB#) (resid 7 and name HN) 4.0 2.2 1.5 !#B732 1.1E7
assign (resid 6 and name HB#) (resid 7 and name HN) 4.0 2.2 1.5 !#B733 1.6E7
assign (resid 6 and name HB#) (resid 9 and name HD1#) 3.0 1.2 1.5 !#B745 7.8E7
assign (resid 6 and name HB#) (resid 9 and name HD1#) 3.0 1.2 1.5 !#B746 4.8E7
assign (resid 6 and name HB#) (resid 9 and name HG) 4.0 2.2 2 !#B747 2.6E7
assign (resid 6 and name HB#) (resid 9 and name HG) 4.0 2.2 2 !#B748 3.2E7

assign (resid 7 and name HB#) (resid 8 and name HN) 4.0 2.2 1.5 !#B750 5.1E7
assign (resid 7 and name HB#) (resid 4 and name HD#) 2.5 0.7 0.9 !#B754 4.3E7

assign (resid 8 and name HB#) (resid 9 and name HN) 4.0 2.2 1.5 !#B757 3.5E6
assign (resid 8 and name HB#) (resid 9 and name HN) 4.0 2.2 1.5 !#B758 6.8E6
assign (resid 8 and name HB#) (resid 96 and name HD2#) 4.0 2.2 1.5 !#B761 1.9E7

assign (resid 9 and name HB#) (resid 10 and name HN) 4.0 2.2 1.5 !#B762 6.2E6
assign (resid 9 and name HB#) (resid 10 and name HN) 4.0 2.2 1.5 !#B763 8.5E6

assign (resid 10 and name HB#) (resid 11 and name HN) 2.5 0.7 0.9 !#B778 1.2E8

assign (resid 11 and name HB#) (resid 12 and name HN) 4.0 2.2 1.5 !#B785 8.5E6
assign (resid 11 and name HB#) (resid 12 and name HN) 4.0 2.2 1.5 !#B787 9.6E6

assign (resid 12 and name HB#) (resid 13 and name HN) 4.0 2.2 1.5 !#B804 1.8E6
assign (resid 12 and name HB#) (resid 13 and name HN) 4.0 2.2 1.5 !#B806 3.1E6

assign (resid 13 and name HB#) (resid 14 and name HN) 4.0 2.2 1.5 !#B815 3e7
assign (resid 13 and name HB#) (resid 14 and name HN) 2.5 0.7 0.9 !#B824 1.3e8

assign (resid 14 and name HB#) (resid 15 and name HN) 4.0 2.2 1.5 !#B829 7.3e7

assign (resid 15 and name HB) (resid 16 and name HN) 4.0 2.2 1.5 !#B837 1.5e7

assign (resid 16 and name HB#) (resid 17 and name HN) 4.0 2.2 1.5 !#B843 5.1e7
assign (resid 16 and name HB#) (resid 17 and name HN) 4.0 2.2 1.5 !#B844 5.1e7

assign (resid 18 and name HB#) (resid 19 and name HN) 4.0 2.2 1.5 !#B859 3e6
assign (resid 18 and name HB#) (resid 19 and name HN) 4.0 2.2 1.5 !#B860 8.8e6

assign (resid 19 and name HB#) (resid 20 and name HN) 4.0 2.2 1.5 !#B869 1.3e7
assign (resid 19 and name HB#) (resid 20 and name HN) 4.0 2.2 1.5 !#B870 1e7

assign (resid 20 and name HB#) (resid 30 and name HD2#) 4.0 2.2 2 !#B887 5.5E5
assign (resid 20 and name HB#) (resid 30 and name HD2#) 4.0 2.2 2 !#B889 3.7E5
assign (resid 20 and name HB#) (resid 30 and name HD1#) 4.0 2.2 2 !#B888 1E6
assign (resid 20 and name HB#) (resid 30 and name HD1#) 4.0 2.2 2 !#B890 7.4E4
assign (resid 20 and name HB#) (resid 21 and name HN) 4.0 2.2 1.5 !#B893 4E7

assign (resid 21 and name HB#) (resid 22 and name HN) 4.0 2.2 1.5 !#B898 1.4E7

assign (resid 22 and name HB#) (resid 23 and name HN) 4.0 2.2 1.5 !#B918 4.1E7
assign (resid 22 and name HB#) (resid 23 and name HN) 4.0 2.2 1.5 !#B919 1.2E6

assign (resid 23 and name HB#) (resid 24 and name HN) 4.0 2.2 1.5 !#B937 1.2E6
assign (resid 23 and name HB#) (resid 24 and name HN) 4.0 2.2 1.5 !#B938 4.5E6
assign (resid 23 and name HB#) (resid 30 and name HG) 4.0 2.2 1.5 !#B946 2.1E7
assign (resid 23 and name HB#) (resid 30 and name HG) 4.0 2.2 1.5 !#B951 2E7
assign (resid 23 and name HB#) (resid 30 and name HD1#) 4.0 2.2 2 !#B947 3.9E6
assign (resid 23 and name HB#) (resid 30 and name HD1#) 4.0 2.2 2 !#B950 4.4E6
assign (resid 23 and name HB#) (resid 30 and name HD2#) 4.0 2.2 2 !#B948 2.6E6
assign (resid 23 and name HB#) (resid 30 and name HD2#) 4.0 2.2 2 !#B949 4E6

assign (resid 24 and name HB#) (resid 25 and name HN) 4.0 2.2 1.5 !#B957 1.4E6
assign (resid 24 and name HB#) (resid 25 and name HN) 4.0 2.2 1.5 !#B958 1.3E6

assign (resid 27 and name HB#) (resid 28 and name HN) 4.0 2.2 1.5 !#B970 5.5E6
assign (resid 27 and name HB#) (resid 30 and name HB#) 4.0 2.2 1.5 !#B978 3.2E6

assign (resid 28 and name HB#) (resid 29 and name HN) 4.0 2.2 1.5 !#B982 4.2E7
assign (resid 28 and name HB#) (resid 29 and name HN) 4.0 2.2 1.5 !#B983 2.4E7

assign (resid 29 and name HB#) (resid 30 and name HN) 4.0 2.2 1.5 !#B989 6.6E6
assign (resid 29 and name HB#) (resid 30 and name HN) 4.0 2.2 1.5 !#B990 5.2E6

assign (resid 31 and name HB#) (resid 32 and name HN) 3.0 1.2 1.5 !#B1001 5.6E7
assign (resid 31 and name HB#) (resid 32 and name HN) 3.0 1.2 1.5 !#B1002 5.1E7

assign (resid 32 and name HB#) (resid 33 and name HN) 3.0 1.2 1.5 !#B1009 4.4E7
assign (resid 32 and name HB#) (resid 33 and name HN) 3.0 1.2 1.5 !#B1010 4.1E7

assign (resid 33 and name HB) (resid 34 and name HN) 4.0 2.2 1.5 !#B1021 1.5E7
assign (resid 33 and name HB) (resid 30 and name HD2#) 4.0 2.2 2 !#B1023 3.6E6
assign (resid 33 and name HB) (resid 30 and name HD1#) 4.0 2.2 2 !#B1024 2.7E6

assign (resid 34 and name HB#) (resid 35 and name HN) 4.0 2.2 1.5 !#B1037 3.2E7
assign (resid 34 and name HB#) (resid 35 and name HN) 4.0 2.2 1.5 !#B1038 4.6E7

assign (resid 35 and name HB#) (resid 36 and name HN) 4.0 2.2 1.5 !#B1052 1E7
assign (resid 35 and name HB#) (resid 36 and name HN) 4.0 2.2 1.5 !#B1053 1.9E7

assign (resid 36 and name HB#) (resid 37 and name HN) 4.0 2.2 1.5 !#B1067 6.2E6
assign (resid 36 and name HB#) (resid 37 and name HN) 4.0 2.2 1.5 !#B1068 3.1E6

assign (resid 37 and name HB#) (resid 38 and name HN) 4.0 2.2 1.5 !#B1085 4E6
assign (resid 37 and name HB#) (resid 38 and name HN) 4.0 2.2 1.5 !#B1086 8.9E6

assign (resid 38 and name HB#) (resid 39 and name HN) 4.0 2.2 1.5 !#B1098 4.7E7

assign (resid 39 and name HB#) (resid 40 and name HN) 3.0 1.2 1.5 !#B1103 4.4E7
assign (resid 39 and name HB#) (resid 40 and name HN) 4.0 2.2 1.5 !#B1104 2.3E7

assign (resid 40 and name HB) (resid 41 and name HN) 3.0 1.2 1.5 !#B1117 3.6E7

assign (resid 41 and name HB#) (resid 42 and name HN) 4.0 2.2 1.5 !#B1124 5.1E7

assign (resid 42 and name HB#) (resid 43 and name HN) 4.0 2.2 1.5 !#B1129 2.3E7

assign (resid 43 and name HB#) (resid 44 and name HN) 4.0 2.2 1.5 !#B1133 2E7
assign (resid 43 and name HB#) (resid 44 and name HN) 4.0 2.2 1.5 !#B1134 2.4E7

assign (resid 44 and name HB) (resid 45 and name HN) 4.0 2.2 1.5 !#B1160 8.9E6

assign (resid 45 and name HB#) (resid 46 and name HN) 4.0 2.2 1.5 !#B1169 3.8E6
assign (resid 45 and name HB#) (resid 46 and name HN) 3.0 1.2 1.5 !#B1170 3E7

assign (resid 46 and name HB#) (resid 47 and name HN) 4.0 2.2 1.5 !#B1184 8.4E6
assign (resid 46 and name HB#) (resid 47 and name HN) 3.0 1.2 1.5 !#B1185 3.6E7

assign (resid 47 and name HB#) (resid 48 and name HN) 4.0 2.2 1.5 !#B1192 2.7E7
assign (resid 47 and name HB#) (resid 48 and name HN) 3.0 1.2 1.5 !#B1193 3.5E7

assign (resid 48 and name HB#) (resid 49 and name HA) 4.0 2.2 1.5 !#B2010 5.8E6
assign (resid 48 and name HB#) (resid 49 and name HA) 4.0 2.2 1.5 !#B2011 2.3E6

assign (resid 49 and name HB#) (resid 50 and name HN) 3.0 1.2 1.5 !#B1206 3.1E7
assign (resid 49 and name HB#) (resid 50 and name HN) 4.0 2.2 1.5 !#B1208 1.4E6

assign (resid 53 and name HB#) (resid 55 and name HN) 4.0 2.2 1.5 !#B1670 3.7E6
assign (resid 53 and name HB#) (resid 55 and name HN) 4.0 2.2 1.5 !#B1671 6.6E5
assign (resid 53 and name HB#) (resid 54 and name HN) 4.0 2.2 1.5 !#B1673 9.9E6
assign (resid 53 and name HB#) (resid 54 and name HN) 4.0 2.2 1.5 !#B1674 7.1E6

assign (resid 56 and name HB#) (resid 57 and name HN) 4.0 2.2 1.5 !#B1216 5.1E7
assign (resid 62 and name HB#) (resid 63 and name HN) 4.0 2.2 1.5 !#B1216 5.1E7

assign (resid 57 and name HB#) (resid 58 and name HN) 4.0 2.2 1.5 !#B1232 4.5e6
assign (resid 57 and name HB#) (resid 58 and name HN) 4.0 2.2 1.5 !#B1233 1.2e7

assign (resid 58 and name HB#) (resid 59 and name HN) 4.0 2.2 1.5 !#B1248 6.4e7

assign (resid 60 and name HB#) (resid 61 and name HN) 4.0 2.2 1.5 !#B1253 1.2e7

assign (resid 61 and name HB#) (resid 62 and name HN) 3.0 1.2 1.5 !#B1262 3.4e7
assign (resid 61 and name HB#) (resid 62 and name HN) 4.0 2.2 1.5 !#B1263 3.9e6

assign (resid 62 and name HB#) (resid 63 and name HN) 4.0 2.2 1.5 !#B1271 5.7e7

assign (resid 63 and name HB#) (resid 64 and name HN) 4.0 2.2 1.5 !#B1273 1.1e7

assign (resid 64 and name HB#) (resid 65 and name HN) 4.0 2.2 1.5 !#B1287 2.6e7
assign (resid 64 and name HB#) (resid 65 and name HN) 4.0 2.2 1.5 !#B1288 6.3E6

assign (resid 65 and name HB#) (resid 66 and name HN) 4.0 2.2 1.5 !#B1315 6.2E6
assign (resid 65 and name HB#) (resid 66 and name HN) 4.0 2.2 1.5 !#B1316 3.7E6

assign (resid 66 and name HB#) (resid 67 and name HN) 4.0 2.2 1.5 !#B1323 1.8E6
assign (resid 66 and name HB#) (resid 67 and name HN) 4.0 2.2 1.5 !#B1324 7.9E6

assign (resid 67 and name HB) (resid 68 and name HN) 4.0 2.2 1.5 !#B1336 3E7

assign (resid 68 and name HB#) (resid 69 and name HN) 4.0 2.2 1.5 !#B1346 2.2E7
assign (resid 68 and name HB#) (resid 69 and name HN) 4.0 2.2 1.5 !#B1347 9.4E6

assign (resid 69 and name HB#) (resid 70 and name HN) 4.0 2.2 1.5 !#B1366 2.3E7
assign (resid 69 and name HB#) (resid 70 and name HN) 4.0 2.2 1.5 !#B1367 1E7

assign (resid 70 and name HB#) (resid 71 and name HN) 4.0 2.2 1.5 !#B1377 6.24E6
assign (resid 70 and name HB#) (resid 71 and name HN) 4.0 2.2 1.5 !#B1378 6.8E6

assign (resid 71 and name HB#) (resid 72 and name HN) 4.0 2.2 1.5 !#B1393 8.2E6
assign (resid 71 and name HB#) (resid 72 and name HN) 4.0 2.2 1.5 !#B1394 6.8E6

assign (resid 72 and name HB#) (resid 73 and name HN) 4.0 2.2 1.5 !#B1414 5.1E6
assign (resid 72 and name HB#) (resid 73 and name HN) 4.0 2.2 1.5 !#B1415 1.1E7

assign (resid 73 and name HB#) (resid 74 and name HN) 4.0 2.2 1.5 !#B1423 1.2E7
assign (resid 73 and name HB#) (resid 74 and name HN) 4.0 2.2 1.5 !#B1424 1.4E7

assign (resid 75 and name HB#) (resid 76 and name HN) 4.0 2.2 1.5 !#B1450 1.9E6
assign (resid 75 and name HB#) (resid 76 and name HN) 4.0 2.2 1.5 !#B1451 2.7E6

assign (resid 76 and name HB#) (resid 77 and name HN) 4.0 2.2 1.5 !#B1465 8E6
assign (resid 76 and name HB#) (resid 77 and name HN) 4.0 2.2 1.5 !#B1466 9.1E6

assign (resid 79 and name HB#) (resid 80 and name HN) 4.0 2.2 1.5 !#B1475 3.5E6
assign (resid 79 and name HB#) (resid 80 and name HN) 4.0 2.2 1.5 !#B1476 9.6E5

assign (resid 80 and name HB#) (resid 81 and name HN) 4.0 2.2 1.5 !#B1485 1.7E7

assign (resid 81 and name HB#) (resid 82 and name HN) 4.0 2.2 1.5 !#B1805 1.3E7

assign (resid 82 and name HB) (resid 83 and name HN) 4.0 2.2 1.5 !#B1489 1.9E7
assign (resid 82 and name HB) (resid 83 and name HA) 4.0 2.2 1.5 !#B1492 4.1E5

assign (resid 84 and name HB#) (resid 85 and name HN) 4.0 2.2 1.5 !#B1497 7.2E6
assign (resid 84 and name HB#) (resid 85 and name HN) 4.0 2.2 1.5 !#B1498 1.5E7

assign (resid 85 and name HB) (resid 86 and name HN) 4.0 2.2 1.5 !#B1511 1.7E7

assign (resid 87 and name HB#) (resid 88 and name HN) 4.0 2.2 1.5 !#B1526 1.2E7

assign (resid 88 and name HB#) (resid 89 and name HN) 4.0 2.2 1.5 !#B1536 1.5E7
assign (resid 88 and name HB#) (resid 89 and name HN) 4.0 2.2 1.5 !#B1537 3.2E7

assign (resid 89 and name HB) (resid 90 and name HN) 4.0 2.2 1.5 !#B1541 8.8E6

assign (resid 90 and name HB#) (resid 91 and name HN) 4.0 2.2 1.5 !#B1551 6.7E6
assign (resid 90 and name HB#) (resid 91 and name HN) 4.0 2.2 1.5 !#B1552 2.9E7

assign (resid 91 and name HB#) (resid 92 and name HN) 4.0 2.2 1.5 !#B1557 4.9E7

assign (resid 92 and name HB) (resid 93 and name HN) 4.0 2.2 1.5 !#B1558 1.7E7
assign (resid 92 and name HB) (resid 89 and name HD1#) 4.0 2.2 2 !#B1565 8.9E6

assign (resid 93 and name HB#) (resid 94 and name HN) 4.0 2.2 1.5 !#B1570 1.4E7
assign (resid 93 and name HB#) (resid 94 and name HN) 4.0 2.2 1.5 !#B1571 2.1E7

assign (resid 96 and name HB#) (resid 97 and name HN) 4.0 2.2 1.5 !#B1583 4.8E6

assign (resid 97 and name HB#) (resid 98 and name HN) 4.0 2.2 1.5 !#B1598 5.7E6
assign (resid 97 and name HB#) (resid 98 and name HN) 4.0 2.2 1.5 !#B1599 1E7

assign (resid 98 and name HB#) (resid 99 and name HN) 4.0 2.2 1.5 !#B1611 2.1E6
assign (resid 98 and name HB#) (resid 99 and name HN) 4.0 2.2 1.5 !#B1612 4.5E6

assign (resid 99 and name HB#) (resid 100 and name HN) 4.0 2.2 1.5 !#B1616 3.3E6
assign (resid 99 and name HB#) (resid 100 and name HN) 4.0 2.2 1.5 !#B1617 5.9E6

assign (resid 100 and name HB) (resid 101 and name HN) 4.0 2.2 1.5 !#B1624 2.22E7

assign (resid 101 and name HB#) (resid 102 and name HN) 4.0 2.2 1.5 !#B1631 2.8E7
assign (resid 101 and name HB#) (resid 102 and name HN) 4.0 2.2 1.5 !#B1631 2.1E7

assign (resid 48 and name HG#) (resid 45 and name HA) 4.0 2.2 1.5 !#B1657 3.3E6
assign (resid 48 and name HG#) (resid 45 and name HA) 4.0 2.2 1.5 !#B1658 3.9E6


assign (resid 13 and name HB#) (resid 11 and name HA) 4.0 2.2 1.5 !#B821 3.6E6
assign (resid 13 and name HB#) (resid 11 and name HA) 4.0 2.2 1.5 !#B822 7.5E6
assign (resid 13 and name HB#) (resid 9 and name HD1#) 4.0 2.2 2 !#B828 1.4E7

assign (resid 14 and name HB#) (resid 15 and name HG2#) 4.0 2.2 2 !#B835 1.7E6

assign (resid 16 and name HB#) (resid 17 and name HA) 4.0 2.2 1.5 !#B846 5.2E7

assign (resid 19 and name HB#) (resid 20 and name HD2) 4.0 2.2 1.5 !#B871 4.1E6
assign (resid 19 and name HB#) (resid 20 and name HD2) 4.0 2.2 1.5 !#B872 3E5
assign (resid 19 and name HB#) (resid 85 and name HD1#) 4.0 2.2 2 !#B883 4.5E6
assign (resid 19 and name HB#) (resid 85 and name HD1#) 4.0 2.2 2 !#B886 6.7E7

assign (resid 21 and name HB#) (resid 23 and name HN) 4.0 2.2 1.5 !#B899 8.7E6
assign (resid 21 and name HB#) (resid 22 and name HD2#) 4.0 2.2 1.5 !#B900 4E6
assign (resid 21 and name HB#) (resid 22 and name HD2#) 4.0 2.2 1.5 !#B902 2.4E6
assign (resid 21 and name HB#) (resid 20 and name HB#) 4.0 2.2 1.5 !#B905 7.7E6

assign (resid 22 and name HB#) (resid 76 and name HN) 4.0 2.2 1.5 !#B920 5.6E6
assign (resid 22 and name HB#) (resid 76 and name HN) 4.0 2.2 1.5 !#B921 2.5E7
assign (resid 22 and name HB#) (resid 75 and name HD1#) 4.0 2.2 1.5 !#B929 4.5E7
assign (resid 22 and name HB#) (resid 75 and name HD2#) 4.0 2.2 1.5 !#B930 3E7

assign (resid 24 and name HB#) (resid 74 and name HA) 4.0 2.2 1.5 !#B963 2.5E6
assign (resid 24 and name HB#) (resid 74 and name HA) 4.0 2.2 1.5 !#B964 1.2E7

assign (resid 27 and name HB#) (resid 28 and name HA) 4.0 2.2 1.5 !#B972 6.1E7

!r26 added

assign (resid 33 and name HB) (resid 19 and name HD1#) 4.0 2.2 2 !#B1025 1.6E6

assign (resid 88 and name HB#) (resid 85 and name HA) 4.0 2.2 1.5 !#B1043 8.5E6
assign (resid 88 and name HB#) (resid 85 and name HA) 4.0 2.2 1.5 !#B1044 3.3E6

assign (resid 34 and name HB#) (resid 85 and name HD1#) 4.0 2.2 1.5 !#B1049 1.2E8
assign (resid 34 and name HB#) (resid 85 and name HD1#) 4.0 2.2 1.5 !#B1050 1.1E8

assign (resid 36 and name HB#) (resid 67 and name HB) 4.0 2.2 1.5 !#B1079 3E6
assign (resid 36 and name HB#) (resid 67 and name HB) 4.0 2.2 1.5 !#B1080 4.5E6

assign (resid 40 and name HB) (resid 37 and name HD2#) 4.0 2.2 1.5 !#B1123 1E7

assign (resid 41 and name HB) (resid 38 and name HA) 4.0 2.2 1.5 !#B1126 1.3E7

assign (resid 43 and name HB#) (resid 56 and name HD#) 4.0 2.2 1.5 !#B1148 2E7
assign (resid 43 and name HB#) (resid 56 and name HD#) 4.0 2.2 1.5 !#B1149 1.4E7
assign (resid 43 and name HB#) (resid 40 and name HG1#) 4.0 2.2 1.5 !#B1150 3.3e7
assign (resid 43 and name HB#) (resid 40 and name HG1#) 4.0 2.2 1.5 !#B1151 1.2e7
assign (resid 43 and name HB#) (resid 40 and name HB) 4.0 2.2 1.5 !#B1152 2.9e7
assign (resid 43 and name HB#) (resid 40 and name HB) 4.0 2.2 1.5 !#B1153 9.3E6
assign (resid 43 and name HB#) (resid 44 and name HA) 4.0 2.2 1.5 !#B1155 6.2e6
assign (resid 43 and name HB#) (resid 44 and name HA) 4.0 2.2 1.5 !#B1156 3.7e5

assign (resid 44 and name HB) (resid 56 and name HD#) 4.0 2.2 1.5 !#B1163 3.1e7

assign (resid 45 and name HB#) (resid 44 and name HG2#) 4.0 2.2 1.5 !#B1179 2.2e7
assign (resid 45 and name HB#) (resid 44 and name HG2#) 4.0 2.2 1.5 !#B1180 1.3e7

assign (resid 56 and name HB#) (resid 57 and name HD1#) 4.0 2.2 1.5 !#B1229 1.5e7

assign (resid 63 and name HB#) (resid 40 and name HG2#) 4.0 2.2 1.5 !#B1282 2.3E7
assign (resid 63 and name HB#) (resid 40 and name HG1#) 4.0 2.2 1.5 !#B1284 1E7

assign (resid 41 and name HA) (resid 40 and name HB) 4.0 2.2 1.5 !#B1310 1E7

assign (resid 67 and name HB) (resid 64 and name HD#) 4.0 2.2 2 !#B1338 3.5E6
assign (resid 67 and name HB) (resid 36 and name HB#) 4.0 2.2 1.5 !#B1341 2.3E6

assign (resid 68 and name HB#) (resid 69 and name HA) 4.0 2.2 1.5 !#B1352 1.8E7
assign (resid 68 and name HB#) (resid 69 and name HA) 4.0 2.2 1.5 !#B1353 5.3E6
assign (resid 68 and name HB#) (resid 16 and name HD1#) 4.0 2.2 1.5 !#B1359 5.2E7

assign (resid 76 and name HB#) (resid 22 and name HA) 4.0 2.2 1.5 !#B1467 2.7E6
assign (resid 76 and name HB#) (resid 22 and name HA) 4.0 2.2 1.5 !#B1468 4.3E6

assign (resid 93 and name HB#) (resid 96 and name HD2#) 4.0 2.2 2 !#B1579 7.6E6

assign (resid 97 and name HB#) (resid 57 and name HD2#) 4.0 2.2 1.5 !#B1608 5.8E6
assign (resid 97 and name HB#) (resid 57 and name HD2#) 4.0 2.2 1.5 !#B1609 1.4E7

assign (resid 100 and name HB) (resid 57 and name HD2#) 3.0 1.2 1.5 !#B1630 9.3E7

assign (resid 48 and name HG#) (resid 44 and name HG2#) 4.0 2.2 1.5 !#B1664 3.4E7
assign (resid 48 and name HG#) (resid 44 and name HG2#) 4.0 2.2 1.5 !#B1665 5.7E7

assign (resid 63 and name HG#) (resid 40 and name HG2#) 4.0 2.2 2 !#B1832 1.1E7
assign (resid 63 and name HG#) (resid 40 and name HG2#) 4.0 2.2 2 !#B1834 8.7E6

assign (resid 97 and name HG#) (resid 57 and name HD2#) 4.0 2.2 1.5 !#B1872 2.6E7
assign (resid 97 and name HG#) (resid 57 and name HD2#) 3.0 1.2 1.5 !#B1873 4.3E7
assign (resid 97 and name HG#) (resid 100 and name HG2#) 4.0 2.2 1.5 !#B1874 1.8E7
assign (resid 97 and name HG#) (resid 100 and name HG2#) 4.0 2.2 1.5 !#B1875 1.8E7

assign (resid 70 and name HG#) (resid 33 and name HG2#) 4.0 2.2 1.5 !#B1899 1.5E7 

assign (resid 60 and name HG#) (resid 40 and name HG2#) 4.0 2.2 2 !#B1994 6.7E6
assign (resid 60 and name HG#) (resid 40 and name HG2#) 4.0 2.2 2 !#B1999 7.2E6


!r27 added

assign (resid 100 and name HG1#) (resid 101 and name HN) 4.0 2.2 2 !#B2022 2.4E6
assign (resid 100 and name HG2#) (resid 101 and name HN) 4.0 2.2 2 !#B2027 9E6
assign (resid 100 and name HG1#) (resid 99 and name HB#) 4.0 2.2 2 !#B2038 -3E6

assign (resid 67 and name HG1#) (resid 68 and name HN) 4.0 2.2 1.5 !#B2040 5E6
assign (resid 67 and name HG1#) (resid 64 and name HD#) 4.0 2.2 2 !#B2042 2E6
assign (resid 67 and name HG1#) (resid 66 and name HB#) 4.0 2.2 2 !#B2047 1.3E6

assign (resid 40 and name HG1#) (resid 64 and name HN) 4.0 2.2 2 !#B2051 1.7E6
assign (resid 40 and name HG1#) (resid 44 and name HN) 4.0 2.2 2 !#B2052 2.5E6
assign (resid 40 and name HG1#) (resid 41 and name HN) 4.0 2.2 2 !#B2053 8E6
assign (resid 40 and name HG1#) (resid 64 and name HD#) 4.0 2.2 2 !#B2054 2.4E6
assign (resid 40 and name HG1#) (resid 64 and name HE#) 4.0 2.2 2 !#B2055 2E6
assign (resid 40 and name HG1#) (resid 60 and name HG#) 4.0 2.2 1.5 !#B2062 8.9E6
assign (resid 40 and name HG1#) (resid 60 and name HG#) 4.0 2.2 1.5 !#B2063 8.1E6
assign (resid 40 and name HG1#) (resid 43 and name HB#) 4.0 2.2 1.5 !#B2061 1.2E7
assign (resid 40 and name HG1#) (resid 60 and name HB#) 4.0 2.2 1.5 !#B2064 1.3E7

assign (resid 33 and name HG1#) (resid 34 and name HN) 4.0 2.2 2 !#B2071 3.2E6
assign (resid 33 and name HG1#) (resid 70 and name HB#) 4.0 2.2 1.5 !#B2077 9.3E6
assign (resid 33 and name HG1#) (resid 70 and name HB#) 4.0 2.2 2 !#B2078 4.6E6
assign (resid 33 and name HG1#) (resid 36 and name HB#) 4.0 2.2 1.5 !#B2086 1.2E7

assign (resid 82 and name HG1#) (resid 83 and name HN) 4.0 2.2 2 !#B2087 3.8E6
assign (resid 82 and name HG1#) (resid 18 and name HB#) 4.0 2.2 2 !#B2094 1.9E7
assign (resid 82 and name HG1#) (resid 18 and name HB#) 4.0 2.2 2 !#B2095 9.3E6
assign (resid 82 and name HG1#) (resid 86 and name HG#) 3.0 1.2 1.5 !#B2096 4.9E7
assign (resid 82 and name HG1#) (resid 86 and name HG#) 4.0 2.2 2 !#B2097 1.3E7



assign (resid 15 and name HG1#) (resid 85 and name HD1#) 3.0 1.2 1.5 !#B2110 1.3E8
assign (resid 15 and name HG1#) (resid 16 and name HN) 4.0 2.2 1.5 !#B2102 4.6E6

assign (resid 81 and name HG2#) (resid 82 and name HN) 4.0 2.2 1.5 !#B2113 4.8E6

assign (resid 12 and name HD2#) (resid 64 and name HE#) 4.0 2.2 2 !#B2141 5.5E6
assign (resid 12 and name HD2#) (resid 11 and name HB#) 4.0 2.2 2 !#B2144 7.8E6

assign (resid 68 and name HD2#) (resid 86 and name HG#) 4.0 2.2 1.5 !#B2153 1.2E7
assign (resid 68 and name HD2#) (resid 86 and name HG#) 4.0 2.2 1.5 !#B2154 8.3E6

assign (resid 40 and name HG2#) (resid 64 and name HD#) 4.0 2.2 2 !#B2165 2.4E6
assign (resid 40 and name HG2#) (resid 41 and name HN) 4.0 2.2 1.5 !#B2166 3.4E7
assign (resid 40 and name HG2#) (resid 64 and name HN) 4.0 2.2 1.5 !#B2167 2.9E6
assign (resid 40 and name HG2#) (resid 63 and name HA) 3.0 1.2 1.5 !#B2169 5.1E7
assign (resid 40 and name HG2#) (resid 39 and name HA) 4.0 2.2 1.5 !#B2171 1.7E7
assign (resid 40 and name HG2#) (resid 36 and name HA) 4.0 2.2 1.5 !#B2172 1.5E7
assign (resid 40 and name HG2#) (resid 64 and name HB#) 4.0 2.2 1.5 !#B2174 1.7E7
assign (resid 40 and name HG2#) (resid 64 and name HB#) 4.0 2.2 1.5 !#B2175 2.8E7
assign (resid 40 and name HG2#) (resid 39 and name HB#) 4.0 2.2 1.5 !#B2176 1.2E7
assign (resid 40 and name HG2#) (resid 63 and name HG#) 4.0 2.2 1.5 !#B2178 1.7E7
assign (resid 40 and name HG2#) (resid 63 and name HG#) 3.0 1.2 1.5 !#B2179 4.8E7
assign (resid 40 and name HG2#) (resid 63 and name HB#) 3.0 1.2 1.5 !#B2180 7.2E7

assign (resid 15 and name HG2#) (resid 85 and name HD1#) 4.0 2.2 1.5 !#B2182 1.3E7
assign (resid 15 and name HG2#) (resid 12 and name HA) 4.0 2.2 1.5 !#B2189 3.6E7
assign (resid 15 and name HG2#) (resid 16 and name HN) 4.0 2.2 1.5 !#B2194 7E6

assign (resid 99 and name HD1#) (resid 95 and name HA) 4.0 2.2 1.5 !#B2197 5.2E6

assign (resid 96 and name HD2#) (resid 9 and name HA) 4.0 2.2 1.5 !#B2208 3.8E7
assign (resid 96 and name HD2#) (resid 93 and name HA) 4.0 2.2 1.5 !#B2209 6.8E6
assign (resid 96 and name HD2#) (resid 93 and name HB#) 4.0 2.2 1.5 !#B2211 1.7E7
assign (resid 96 and name HD2#) (resid 8 and name HD1#) 3.0 1.2 1.5 !#B2216 5.1E7

assign (resid 71 and name HD1#) (resid 68 and name HA) 4.0 2.2 1.5 !#B2230 1.6E7

assign (resid 33 and name HG2#) (resid 34 and name HN) 4.0 2.2 2 !#B2243 1.6E6
assign (resid 33 and name HG2#) (resid 70 and name HG#) 4.0 2.2 1.5 !#B2246 2.8E7
assign (resid 33 and name HG2#) (resid 70 and name HG#) 4.0 2.2 1.5 !#B2247 1.6E7
assign (resid 33 and name HG2#) (resid 70 and name HB#) 4.0 2.2 1.5 !#B2248 1.4E7

assign (resid 57 and name HD1#) (resid 97 and name HA) 4.0 2.2 1.5 !#B2257 1E7
assign (resid 57 and name HD1#) (resid 56 and name HB#) 4.0 2.2 2 !#B2261 3.1E6

assign (resid 67 and name HG2#) (resid 68 and name HN) 4.0 2.2 1.5 !#B2267 4.4E6
assign (resid 67 and name HG2#) (resid 37 and name HN) 4.0 2.2 1.5 !#B2268 2.5E6
assign (resid 67 and name HG2#) (resid 37 and name HA) 4.0 2.2 1.5 !#B2271 1.9E7
assign (resid 67 and name HG2#) (resid 36 and name HB#) 4.0 2.2 1.5 !#B2274 2.2E7
assign (resid 67 and name HG2#) (resid 36 and name HB#) 4.0 2.2 1.5 !#B2275 2.5E7

assign (resid 30 and name HD1#) (resid 27 and name HA) 4.0 2.2 1.5 !#B2281 1.4E7
assign (resid 30 and name HD1#) (resid 27 and name HD#) 4.0 2.2 1.5 !#B2288 9.6E6

assign (resid 75 and name HD1#) (resid 76 and name HN) 4.0 2.2 2 !#B2292 2.45E6
assign (resid 75 and name HD1#) (resid 23 and name HA) 4.0 2.2 1.5 !#B2296 1.6E7
assign (resid 75 and name HD1#) (resid 81 and name HA) 4.0 2.2 2 !#B2298 2.6E7
assign (resid 75 and name HD1#) (resid 22 and name HB#) 4.0 2.2 1.5 !#B2299 1E7
assign (resid 75 and name HD1#) (resid 22 and name HB#) 4.0 2.2 1.5 !#B2300 1.5E7

assign (resid 71 and name HD1#) (resid 30 and name HD1#) 3.0 1.2 1.5 !#B2315 6.4E7
assign (resid 71 and name HD1#) (resid 68 and name HA) 4.0 2.2 1.5 !#B2325 4.4E7

assign (resid 75 and name HD2#) (resid 76 and name HN) 4.0 2.2 2 !#B2327 1.9E6
assign (resid 75 and name HD2#) (resid 22 and name HB#) 4.0 2.2 1.5 !#B2332 8.5E6
assign (resid 75 and name HD2#) (resid 22 and name HB#) 4.0 2.2 1.5 !#B2334 7.2E6

assign (resid 96 and name HD1#) (resid 64 and name HZ) 4.0 2.2 2 !#B2340 2.9E6
assign (resid 96 and name HD1#) (resid 64 and name HE#) 4.0 2.2 2 !#B2341 2E6
assign (resid 96 and name HD1#) (resid 93 and name HA) 4.0 2.2 1.5 !#B2343 2.2E7

assign (resid 68 and name HD1#) (resid 86 and name HG#) 4.0 2.2 1.5 !#B2357 1.5E7
assign (resid 68 and name HD1#) (resid 86 and name HG#) 4.0 2.2 1.5 !#B2358 8E6
assign (resid 68 and name HD1#) (resid 64 and name HE#) 4.0 2.2 2 !#B2360 2.6E6
assign (resid 68 and name HD1#) (resid 64 and name HD#) 4.0 2.2 2 !#B2361 1.8E6

assign (resid 57 and name HD2#) (resid 97 and name HA) 4.0 2.2 1.5 !#B2367 1.3E7
assign (resid 57 and name HD2#) (resid 97 and name HG#) 4.0 2.2 1.5 !#B2368 1.3E7
assign (resid 57 and name HD2#) (resid 97 and name HG#) 4.0 2.2 1.5 !#B2370 1.2E7

assign (resid 9 and name HD1#) (resid 6 and name HA) 4.0 2.2 1.5 !#B2377 5.4E7


assign (resid 19 and name HD1#) (resid 89 and name HG2#) 4.0 2.2 1.5 !#B2400 6.1E7

assign (resid 37 and name HD2#) (resid 34 and name HA) 3.0 1.2 1.5 !#B2402 5.6E7
assign (resid 37 and name HD2#) (resid 36 and name HB#) 3.0 1.2 1.5 !#B2410 3.8E7
assign (resid 37 and name HD2#) (resid 36 and name HB#) 3.0 1.2 1.5 !#B2411 5E7

assign (resid 16 and name HD1#) (resid 15 and name HB) 4.0 2.2 1.5 !#B2417 2.8E7

assign (resid 19 and name HD2#) (resid 23 and name HE1) 4.0 2.2 1.5 !#B2432 5E6
assign (resid 19 and name HD2#) (resid 23 and name HA) 4.0 2.2 1.5 !#B2436 1.1E8
assign (resid 19 and name HD2#) (resid 23 and name HB#) 3.0 1.2 1.5 !#B2437 3.7E7
assign (resid 19 and name HD2#) (resid 23 and name HB#) 2.5 0.7 0.9 !#B2438 9.7E7

assign (resid 8 and name HD1#) (resid 9 and name HA) 3.0 1.2 1.5 !#B2472 2.2E8

assign (resid 85 and name HG1#) (resid 88 and name HB#) 4.0 2.2 2 !#B2490 2.2E6

assign (resid 92 and name HG1#) (resid 89 and name HA) 4.0 2.2 1.5 !#B2496 4.9E6

assign (resid 41 and name HG1#) (resid 9 and name HB#) 4.0 2.2 1.5 !#B2514 3.2E7
assign (resid 41 and name HG1#) (resid 9 and name HB#) 4.0 2.2 2 !#B2515 2.7E6
assign (resid 41 and name HD1#) (resid 9 and name HB#) 4.0 2.2 1.5 !#B2534 9.8E7
assign (resid 41 and name HD1#) (resid 9 and name HG) 4.0 2.2 1.5 !#B2535 1.2E7
assign (resid 41 and name HD1#) (resid 12 and name HB#) 4.0 2.2 1.5 !#B2536 2.4E6
assign (resid 41 and name HD1#) (resid 13 and name HG#) 4.0 2.2 1.5 !#B2537 9.4E6
assign (resid 41 and name HD1#) (resid 13 and name HG#) 4.0 2.2 1.5 !#B2538 1.3E7

assign (resid 92 and name HD1#) (resid 93 and name HD#) 4.0 2.2 1.5 !#B2555 1.1E6
assign (resid 92 and name HD1#) (resid 88 and name HB#) 4.0 2.2 1.5 !#B2564 1.5E7
assign (resid 92 and name HD1#) (resid 88 and name HB#) 4.0 2.2 1.5 !#B2565 1.4E7

assign (resid 85 and name HD1#) (resid 82 and name HA) 4.0 2.2 1.5 !#B2573 1.1E7
assign (resid 85 and name HD1#) (resid 88 and name HB#) 4.0 2.2 1.5 !#B2575 7E6
assign (resid 85 and name HD1#) (resid 15 and name HG1#) 4.0 2.2 1.5 !#B2579 -5.7E7
assign (resid 85 and name HD1#) (resid 68 and name HD1#) 4.0 2.2 1.5 !#B2580 7.3E6

assign (resid 41 and name HG2#) (resid 13 and name HG#) 4.0 2.2 1.5 !#B2589 4.9E6
assign (resid 41 and name HG2#) (resid 13 and name HG#) 4.0 2.2 1.5 !#B2590 3.3E6
assign (resid 41 and name HG2#) (resid 9 and name HB#) 4.0 2.2 1.5 !#B2593 -8E6

assign (resid 44 and name HG2#) (resid 9 and name HB#) 4.0 2.2 1.5 !#B2605 1.3E7
assign (resid 44 and name HG2#) (resid 48 and name HB#) 4.0 2.2 1.5 !#B2607 2.1E6
assign (resid 44 and name HG2#) (resid 48 and name HG#) 4.0 2.2 1.5 !#B2608 4.6E6
assign (resid 44 and name HG2#) (resid 48 and name HG#) 4.0 2.2 1.5 !#B2609 1.5E7
assign (resid 44 and name HG2#) (resid 64 and name HB#) 4.0 2.2 1.5 !#B2610 7.4E6
assign (resid 44 and name HG2#) (resid 64 and name HB#) 4.0 2.2 1.5 !#B2611 6.1E6
assign (resid 44 and name HG2#) (resid 45 and name HB#) 4.0 2.2 1.5 !#B2612 7.5E6
assign (resid 44 and name HG2#) (resid 45 and name HB#) 4.0 2.2 1.5 !#B2613 4.2E6
assign (resid 44 and name HG2#) (resid 45 and name HA) 4.0 2.2 1.5 !#B2615 1E7
assign (resid 44 and name HG2#) (resid 45 and name HN) 4.0 2.2 1.5 !#B2616 2E6
assign (resid 44 and name HG2#) (resid 47 and name HN) 4.0 2.2 1.5 !#B2617 9.3E6

assign (resid 89 and name HG2#) (resid 90 and name HN) 4.0 2.2 1.5 !#B2620 8E6
assign (resid 89 and name HG2#) (resid 90 and name HA) 4.0 2.2 1.5 !#B2623 7.7E6
assign (resid 89 and name HG2#) (resid 90 and name HB#) 4.0 2.2 1.5 !#B2628 5.2E6

assign (resid 92 and name HG2#) (resid 93 and name HN) 4.0 2.2 1.5 !#B2631 4.4E6
assign (resid 92 and name HG2#) (resid 93 and name HD#) 4.0 2.2 1.5 !#B2633 8E6
assign (resid 92 and name HG2#) (resid 93 and name HA) 4.0 2.2 1.5 !#B2635 2.9E6
assign (resid 92 and name HG2#) (resid 89 and name HG1#) 4.0 2.2 1.5 !#B2645 -2E7

assign (resid 85 and name HG2#) (resid 86 and name HN) 4.0 2.2 1.5 !#B2649 6.8E6
assign (resid 85 and name HG2#) (resid 15 and name HA) 4.0 2.2 1.5 !#B2650 2.4E7
assign (resid 85 and name HG2#) (resid 68 and name HA) 4.0 2.2 2.0 !#B2652 8.5E6
assign (resid 85 and name HG2#) (resid 82 and name HG1#) 2.5 0.7 1.4 !#B2654 6.9E8
assign (resid 85 and name HG2#) (resid 68 and name HD1#) 3.0 1.2 1.5 !#B2655 6.4E7

assign (resid 33 and name HG2#) (resid 30 and name HD2#) 4.0 2.2 2 !#B2716 5.2E6
assign (resid 33 and name HG2#) (resid 30 and name HD1#) 4.0 2.2 2 !#B2717 -1.9E6

assign (resid 71 and name HG) (resid 68 and name HA) 4.0 2.2 1.5 !#B2721 2.4E6

assign (resid 75 and name HG) (resid 76 and name HN) 4.0 2.2 1.5 !#B2736 3.9E6

assign (resid 99 and name HG) (resid 100 and name HN) 4.0 2.2 1.5 !#B2747 2.7E6

assign (resid 16 and name HG) (resid 12 and name HD1#) 4.0 2.2 1.5 !#B2754 3.7E7

assign (resid 37 and name HG) (resid 67 and name HG2#) 4.0 2.2 1.5 !#B2772 1.3E7

assign (resid 8 and name HG) (resid 9 and name HN) 4.0 2.2 2 !#B2775 2.6E6
assign (resid 8 and name HG) (resid 9 and name HA) 4.0 2.2 1.5 !#B2780 1.6E7

assign (resid 19 and name HG) (resid 68 and name HA) 4.0 2.2 1.5 !#B2784 3E7

assign (resid 57 and name HG) (resid 58 and name HN) 4.0 2.2 2 !#B2789 2.4E6

assign (resid 5 and name HG) (resid 2 and name HD#) 4.0 2.2 2 !#B2794 3.6E6


! R31 added


assign (resid 82 and name HG1#) (resid 89 and name HD1#) 4.0 2.2 2 !#B2100 1.6E7

assign (resid 92 and name HN) (resid 89 and name HD1#) 4.0 2.2 2 !#A1010 1.6E6

assign (resid 30 and name HD2#) (resid 23 and name HE3) 4.0 2.2 2 !#B2124 1.4E6
assign (resid 30 and name HD1#) (resid 23 and name HD1) 4.0 2.2 2 !#B2291 9.8E5

! r32

assign (resid 37 and name HD2#) (resid 89 and name HG2#) 3.0 1.2 1.5 !#B2412 9.9E7 

assign (resid 40 and name HG2#) (resid 37 and name HA) 2.5 0.7 0.9 !#B2169 5E7 

assign (resid 75 and name HD1#) (resid 19 and name HA) 4.0 2.2 2 !#B2297 9.9E6 
assign (resid 2 and name HB#) (resid 100 and name HG2#) 3.0 1.2 1.5 !#B7 7.7E7

assign (resid 71 and name HD1#) (resid 23 and name HE3) 4.0 2.2 2.0 !#B2228 9.4E5 
assign (resid 67 and name HG2#) (resid 66 and name HE2#) 4.0 2.2 2.0 !#B2269 1.3E6 
assign (resid 75 and name HD1#) (resid 23 and name HE3) 4.0 2.2 2.0 !#B2294 2.6E6
assign (resid 12 and name HD1#) (resid 64 and name HD#) 4.0 2.2 2.0 !#B2311 2.1E6 
assign (resid 12 and name HD1#) (resid 64 and name HZ) 4.0 2.2 2.0 !#B2311 2.1E6 

assign (resid 75 and name HD2#) (resid 82 and name HA) 4.0 2.2 1.5 !#B2337 3E6 
assign (resid 96 and name HD1#) (resid 5 and name HG) 4.0 2.2 1.5 !#B2346 1.4E7 

assign (resid 9 and name HD1#) (resid 41 and name HA) 4.0 2.2 2.0 !#B2379 3.9E7 
assign (resid 9 and name HD1#) (resid 45 and name HB#) 4.0 2.2 2.0 !#B2379 3.9E7 
assign (resid 9 and name HD1#) (resid 45 and name HD2) 4.0 2.2 2.5 !#B2375 -1E6

assign (resid 99 and name HD2#) (resid 2 and name HA) 3.0 1.2 1.5 !#B2382 1.2E8 
assign (resid 99 and name HD2#) (resid 2 and name HB#) 3.0 1.2 1.5 !#B2383 4.4E7

assign (resid 89 and name HD1#) (resid 64 and name HD#) 4.0 2.2 2 !#B2518 5.9E6
assign (resid 89 and name HD1#) (resid 90 and name HN) 4.0 2.2 2 !#B2519 8.9E5

assign (resid 44 and name HD1#) (resid 64 and name HD#) 3.0 1.2 1.5 !#B2552 6.9E4
assign (resid 44 and name HD1#) (resid 96 and name HB#) 4.0 2.2 1.5 !#B2547 1.45E7
assign (resid 44 and name HD1#) (resid 57 and name HB#) 4.0 2.2 2 !#B2548 9.7E6

assign (resid 41 and name HG2#) (resid 45 and name HD2) 4.0 2.2 2 !#B2586 4E6
assign (resid 89 and name HG2#) (resid 64 and name HD#) 4.0 2.2 2 !#B2622 7.9E6


assign (resid 44 and name HD1#) (resid 96 and name HB#) 4.0 2.2 1.5 !#B2547 1.45E7

assign (resid 60 and name HG#) (resid 40 and name HA) 4.0 2.2 1.5 !#B1982 4E6
assign (resid 60 and name HG#) (resid 40 and name HA) 4.0 2.2 1.5 !#B1983 3.5E6
assign (resid 60 and name HG#) (resid 43 and name HB#) 4.0 2.2 1.5 !#B1984 1.1E6
assign (resid 60 and name HG#) (resid 43 and name HB#) 4.0 2.2 1.5 !#B1985 7.4E6
assign (resid 60 and name HG#) (resid 56 and name HD#) 3.0 1.2 1.5 !#B1992 1.3E7
assign (resid 60 and name HG#) (resid 56 and name HD#) 4.0 2.2 1.5 !#B1993 5.6E6
assign (resid 60 and name HG#) (resid 40 and name HG2#) 4.0 2.2 1.5 !#B1996 1.2E7
assign (resid 60 and name HG#) (resid 40 and name HG2#) 4.0 2.2 1.5 !#B1997 2.2E7

assign (resid 61 and name HG#) (resid 64 and name HE#) 4.0 2.2 1.5 !#B2001 3.4E6
assign (resid 61 and name HG#) (resid 64 and name HZ) 4.0 2.2 1.5 !#B2002 2.4E6


! r33

assign (resid 4 and name HA) (resid 6 and name HA) 4.0 2.2 1.5 !#B25 3.6E8
assign (resid 8 and name HA) (resid 5 and name HD1#) 4.0 2.2 2 !#B84 1.2E8
assign (resid 8 and name HA) (resid 9 and name HB#) 4.0 2.2 1.5 !#B82 2.1E7

assign (resid 61 and name HA) (resid 96 and name HB#) 4.0 2.2 1.5 !#B143 2.9E7
assign (resid 61 and name HA) (resid 57 and name HB#) 4.0 2.2 1.5 !#B144 1E8

assign (resid 68 and name HA) (resid 71 and name HG) 3.0 1.2 1.5 !#B157 4.5E7
assign (resid 68 and name HA) (resid 82 and name HG2#) 4.0 2.2 1.5 !#B162 1.4E7

assign (resid 69 and name HA) (resid 71 and name HB#) 4.0 2.2 1.5 !#B190 9.9E5
assign (resid 7 and name HA) (resid 4 and name HE#) 4.0 2.2 1.5 !#B196 9.4E6

assign (resid 13 and name HA) (resid 12 and name HB#) 4.0 2.2 1.5 !#B217 1.6E7
assign (resid 13 and name HA) (resid 12 and name HB#) 4.0 2.2 1.5 !#B219 4E7

assign (resid 15 and name HA) (resid 16 and name HB#) 4.0 2.2 1.5 !#B234 1e7

assign (resid 20 and name HA) (resid 19 and name HG) 3.0 1.2 1.0 !#B247 3.6E7
assign (resid 20 and name HA) (resid 19 and name HB3) 4.0 2.2 1.0 !#B248 1.7E7
assign (resid 20 and name HA) (resid 27 and name HB#) 4.0 2.2 1.5 !#B249 2.6E7

assign (resid 26 and name HA#) (resid 29 and name HD2#) 4.0 2.2 2 !#B275 1.6E7
assign (resid 33 and name HA) (resid 36 and name HD2) 4.0 2.2 1.0 !#B297 8.2E6
assign (resid 33 and name HA) (resid 67 and name HA) 3.0 1.2 1.0 !#B307 4.2E8

assign (resid 34 and name HA) (resid 19 and name HD1#) 4.0 2.2 1.5 !#B311 2.4E7

assign (resid 13 and name HA) (resid 68 and name HD1#) 4.0 2.2 2.0 !#B212 4.7E7

! r34
assign (resid 39 and name HA) (resid 38 and name HB#) 4.0 2.2 1.5 !#B335 2.4E6
assign (resid 39 and name HA) (resid 42 and name HG#) 3.0 1.2 0.8 !#B337 1.2E7

assign (resid 40 and name HA) (resid 60 and name HG#) 4.0 2.2 1.5 !#B348 1E6
assign (resid 40 and name HA) (resid 60 and name HG#) 4.0 2.2 1.5 !#B349 8.5E6

assign (resid 43 and name HA) (resid 42 and name HB#) 4.0 2.2 1.5 !#B367 2.1E7

assign (resid 44 and name HA) (resid 45 and name HD2) 4.0 2.2 1.5 !#B371 7.3E6
assign (resid 44 and name HA) (resid 56 and name HD#) 3.0 1.2 1.5 !#B377 1.7E7

assign (resid 45 and name HA) (resid 44 and name HB) 4.0 2.2 1.0 !#B388 1.3E7

assign (resid 46 and name HA) (resid 45 and name HN) 4.0 2.2 1.5 !#B391 5.4E6
assign (resid 46 and name HA) (resid 51 and name HN) 4.0 2.2 1.5 !#B392 9.8E6
assign (resid 46 and name HA) (resid 49 and name HG#) 4.0 2.2 1.5 !#B399 1.7E7

assign (resid 54 and name HA2) (resid 100 and name HG1#) 3.0 1.2 1.5 !#B448 1E7
assign (resid 54 and name HA1) (resid 100 and name HG1#) 4.0 2.2 1.5 !#B450 6E6

assign (resid 65 and name HA) (resid 89 and name HB) 4.0 2.2 1.5 !#B496 4.6E7
assign (resid 65 and name HA) (resid 90 and name HD#) 4.0 2.2 1.5 !#B496 4.6E7
assign (resid 65 and name HA) (resid 66 and name HA) 4.0 2.2 1.0 !#B501 3.8E6

assign (resid 67 and name HA) (resid 71 and name HB#) 4.0 2.2 1.5 !#B511 2.5E6

assign (resid 70 and name HA) (resid 74 and name HD2) 4.0 2.2 1.5 !#B515 6.2E6

assign (resid 57 and name HA) (resid 64 and name HE#) 4.0 2.2 1.5 !#B524 1.3E7

assign (resid 76 and name HA) (resid 75 and name HD1#) 4.0 2.2 2 !#B543 4.4E6
assign (resid 76 and name HA) (resid 75 and name HA) 4.0 2.2 1.0 !#B545 1.8E6
assign (resid 76 and name HA) (resid 74 and name HA) 4.0 2.2 1.0 !#B544 2.6E6

assign (resid 83 and name HA) (resid 82 and name HB) 4.0 2.2 1.0 !#B567 3.9E7
assign (resid 83 and name HA) (resid 86 and name HG#) 3.0 1.2 1.2 !#B568 2.5E7

assign (resid 81 and name HA) (resid 85 and name HG2#) 4.0 2.2 2.0 !#B582 9.1E5
assign (resid 81 and name HA) (resid 85 and name HG1#) 4.0 2.2 2.0 !#B583 5.7E5

assign (resid 82 and name HA) (resid 84 and name HB#) 4.0 2.2 1.5 !#B586 2.5E7
assign (resid 82 and name HA) (resid 86 and name HA) 4.0 2.2 1.5 !#B587 2.3E7
assign (resid 82 and name HA) (resid 85 and name HA) 4.0 2.2 1.5 !#B588 2.2E7
assign (resid 82 and name HA) (resid 81 and name HG2#) 4.0 2.2 2 !#B590 2.5E6

assign (resid 84 and name HA) (resid 87 and name HG#) 4.0 2.2 1.5 !#B601 3.3E7

assign (resid 85 and name HA) (resid 68 and name HD2#) 4.0 2.2 2 !#B616 9.5E6


assign (resid 90 and name HA) (resid 64 and name HZ) 4.0 2.2 1.0 !#B634 5.2E6
assign (resid 90 and name HA) (resid 89 and name HG2#) 4.0 2.2 1.5 !#B636 1.2E7
assign (resid 90 and name HA) (resid 89 and name HG1#) 4.0 2.2 1.0 !#B637 5.3E7
assign (resid 90 and name HA) (resid 91 and name HA) 4.0 2.2 1.0 !#B643 2E6
assign (resid 90 and name HA) (resid 86 and name HA) 4.0 2.2 1.0 !#B644 4.2E8

assign (resid 93 and name HA) (resid 64 and name HZ) 2.5 0.7 1.0 !#B660 2E7

assign (resid 94 and name HA) (resid 95 and name HB#) 4.0 2.2 1.5 !#B677 2E7
assign (resid 94 and name HA) (resid 98 and name HG#) 4.0 2.2 1.5 !#B678 2.9E7

assign (resid 9 and name HA) (resid 8 and name HB#) 4.0 2.2 1.5 !#B690 8.7E7

! R35

assign (resid 6 and name HB#) (resid 44 and name HB) 4.0 2.2 1.5 !#B743 1.2E7
assign (resid 6 and name HB#) (resid 44 and name HB) 4.0 2.2 1.5 !#B744 9.4E6

assign (resid 12 and name HB#) (resid 11 and name HB#) 4.0 2.2 1.5 !#B809 7.1e6
assign (resid 13 and name HB#) (resid 12 and name HA) 4.0 2.2 1.5 !#818 6.3E7

assign (resid 24 and name HB#) (resid 75 and name HA) 4.0 2.2 1.5 !#B961 1.9E7
assign (resid 24 and name HB#) (resid 75 and name HA) 4.0 2.2 1.5 !#B962 7E5

assign (resid 27 and name HB#) (resid 20 and name HA) 3.0 1.2 1.5 !#B971 5.8E7

assign (resid 33 and name HB) (resid 36 and name HB#) 4.0 2.2 1.5 !#B1032 5.9E6
assign (resid 33 and name HB) (resid 32 and name HA) 4.0 2.2 1.5 !#B1034 9.6E5

assign (resid 88 and name HB#) (resid 85 and name HG2#) 3.0 1.2 1.5 !#B1048 5.1E7
assign (resid 88 and name HB#) (resid 85 and name HG2#) 3.0 1.2 1.5 !#B1051 1.3E8

assign (resid 35 and name HB#) (resid 32 and name HB#) 4.0 2.2 2.0 !#B1062 1.7E6

assign (resid 38 and name HB#) (resid 37 and name HD1#) 4.0 2.2 2.0 !#B1099 6.9E6

assign (resid 37 and name HB#) (resid 16 and name HG) 3.0 1.2 1.5 !#B1089 3.2E8
assign (resid 37 and name HB#) (resid 16 and name HB#) 4.0 2.2 1.5 !#B1093 2.6E8

assign (resid 41 and name HB) (resid 9 and name HB#) 4.0 2.2 1.5 !#B1127 2.3E6

assign (resid 42 and name HB#) (resid 41 and name HG2#) 4.0 2.2 2.0 !#B1130 4.2E7

assign (resid 43 and name HB#) (resid 39 and name HB#) 4.0 2.2 2.0 !#B1141 9.7E6
assign (resid 43 and name HB#) (resid 60 and name HG#) 4.0 2.2 1.5 !#B1142 2.3E7
assign (resid 43 and name HB#) (resid 60 and name HB#) 4.0 2.2 1.5 !#B1143 2.1E7
assign (resid 43 and name HB#) (resid 60 and name HB#) 4.0 2.2 1.5 !#B1144 1.2E7
assign (resid 43 and name HB#) (resid 60 and name HG#) 4.0 2.2 1.5 !#B1145 1.1E7
assign (resid 43 and name HB#) (resid 56 and name HB#) 4.0 2.2 1.5 !#B1146 6.6E6
assign (resid 43 and name HB#) (resid 56 and name HB#) 4.0 2.2 1.5 !#B1147 1.2E7
assign (resid 43 and name HB#) (resid 42 and name HA) 4.0 2.2 1.5 !#B1157 1.9E7
assign (resid 43 and name HB#) (resid 42 and name HA) 4.0 2.2 1.5 !#B1158 4.9E6

assign (resid 44 and name HB) (resid 9 and name HB#) 4.0 2.2 1.5 !#B1164 1E7
 
assign (resid 56 and name HB#) (resid 43 and name HB#) 4.0 2.2 1.5 !#B1222 6.8E6
assign (resid 62 and name HB#) (resid 59 and name HG#) 4.0 2.2 1.5 !#B1223 1E8

assign (resid 57 and name HB#) (resid 56 and name HE#) 4.0 2.2 1.5 !#B1242 -6.8e7

assign (resid 58 and name HB#) (resid 60 and name HN) 4.0 2.2 1.5 !#B1250 1.8E7

assign (resid 60 and name HB#) (resid 40 and name HG1#) 4.0 2.2 2 !#B1255 1.9E7
assign (resid 60 and name HB#) (resid 56 and name HD#) 4.0 2.2 1.5 !#B1256 4.7E7
assign (resid 60 and name HB#) (resid 61 and name HB#) 4.0 2.2 1.5 !#B1257 1.5E8
assign (resid 60 and name HB#) (resid 56 and name HB#) 4.0 2.2 1.5 !#B1261 5.7E7

assign (resid 63 and name HB#) (resid 36 and name HA) 4.0 2.2 1.5 !#B1276 3.7E6
assign (resid 63 and name HB#) (resid 36 and name HB#) 4.0 2.2 1.5 !#B1279 4.4E6
assign (resid 63 and name HB#) (resid 37 and name HD1#) 4.0 2.2 2 !#B1283 4.9E7

assign (resid 41 and name HA) (resid 9 and name HB#) 4.0 2.2 1.5 !#B1312 4.3E7

assign (resid 66 and name HB#) (resid 62 and name HD#) 4.0 2.2 1.5 !#B1333 -5E7
assign (resid 66 and name HB#) (resid 62 and name HD#) 4.0 2.2 1.5 !#B1335 -2.3E7

assign (resid 68 and name HB#) (resid 65 and name HE2#) 4.0 2.2 2 !#B1348 7.6E5
assign (resid 68 and name HB#) (resid 65 and name HE2#) 4.0 2.2 2 !#B1349 9.5E5

assign (resid 74 and name HB#) (resid 75 and name HA) 4.0 2.2 1.5 !#B1444 2.6E6
assign (resid 74 and name HB#) (resid 75 and name HA) 4.0 2.2 1.5 !#B1445 7.5E6

assign (resid 75 and name HB#) (resid 79 and name HD#) 4.0 2.2 1.5 !#B1459 4.7E7

assign (resid 76 and name HB#) (resid 75 and name HA) 4.0 2.2 1.5 !#B1469 3.9E6
assign (resid 76 and name HB#) (resid 75 and name HA) 4.0 2.2 1.5 !#B1470 1.5E7

assign (resid 85 and name HB) (resid 82 and name HG2#) 4.0 2.2 2 !#B1518 9.7E7
assign (resid 85 and name HB) (resid 16 and name HB#) 4.0 2.2 1.5 !#B1516 4.8E6

! r36

assign (resid 86 and name HB#) (resid 82 and name HB) 4.0 2.2 1.5 !#B1524 9.4E7 
assign (resid 86 and name HB#) (resid 82 and name HG1#) 4.0 2.2 1.5 !#B1525 1.5E7 

assign (resid 89 and name HB) (resid 65 and name HA) 4.0 2.2 1.5 !#B1542 1.4E7 
assign (resid 89 and name HB) (resid 91 and name HN) 4.0 2.2 1.5 !#B1548 1.9E7 

assign (resid 92 and name HB) (resid 64 and name HE#) 4.0 2.2 1.5 !#B1560 1.2E6 

assign (resid 93 and name HB#) (resid 64 and name Hz) 3.0 1.2 1.5 !#B1572 7.3E6 
assign (resid 93 and name HB#) (resid 64 and name Hz) 3.0 1.2 1.5 !#B1573 9.8E6 
assign (resid 93 and name HB#) (resid 96 and name HB#) 4.0 2.2 1.5 !#B1578 1.3E7 

assign (resid 97 and name HB#) (resid 96 and name HB#) 4.0 2.2 1.5 !#B1605 3.4E7 

assign (resid 53 and name HB#) (resid 56 and name HN) 4.0 2.2 1.5 !#B1668 7.5E5 
assign (resid 53 and name HB#) (resid 56 and name HN) 4.0 2.2 1.5 !#B1669 9.6E5 

assign (resid 53 and name HB#) (resid 49 and name HA) 4.0 2.2 1.5 !#B1677 1.8E8 
assign (resid 53 and name HB#) (resid 49 and name HA) 4.0 2.2 1.5 !#B1678 2.8E7 

assign (resid 38 and name HA) (resid 41 and name HG2#) 4.0 2.2 1.5 !#B1720 1.4E8 

assign (resid 71 and name HA) (resid 75 and name HN) 4.0 2.2 1.5 !#B1727 2E7 
assign (resid 71 and name HA) (resid 23 and name HD1) 4.0 2.2 1.5 !#B1729 5.7E6 
assign (resid 71 and name HA) (resid 23 and name HE3) 4.0 2.2 1.5 !#B1730 4.3E6 

assign (resid 79 and name HA) (resid 82 and name HG2#) 4.0 2.2 1.5 !#B1751 8.2E7 

assign (resid 86 and name HA) (resid 88 and name HB#) 4.0 2.2 1.5 !#B1755 3.7E7 

assign (resid 42 and name HA) (resid 47 and name HN) 4.0 2.2 1.5 !#B1759 4E7 

assign (resid 58 and name HA) (resid 57 and name HB#) 4.0 2.2 1.5 !#B1780 4.6E7 
assign (resid 58 and name HA) (resid 97 and name HG#) 4.0 2.2 1.5 !#B1783 7E7 

assign (resid 48 and name HA) (resid 50 and name HN) 4.0 2.2 1.0 !#B1790 4E6 
assign (resid 48 and name HA) (resid 5 and name HB#) 4.0 2.2 1.5 !#B1791 1.2E8 
assign (resid 48 and name HA) (resid 99 and name HB#) 4.0 2.2 1.5 !#B1792 1E8 

assign (resid 63 and name HA) (resid 60 and name HG#) 4.0 2.2 1.5 !#B1798 3E7 
assign (resid 81 and name HB) (resid 75 and name HD2#) 4.0 2.2 2.0 !#B1807 1E7 
assign (resid 81 and name HB) (resid 75 and name HD1#) 3.0 1.2 1.5 !#B1809 1.1E7 
assign (resid 81 and name HB) (resid 82 and name HG2#) 3.0 1.2 1.5 !#B1809 1.1E7 
assign (resid 81 and name HB) (resid 82 and name HG1#) 4.0 2.2 2.0 !#B1808 6.7E6 
assign (resid 81 and name HB) (resid 75 and name HA) 4.0 2.2 2.0 !#B1812 9.6E6 

! r37

assign (resid 63 and name HG#) (resid 36 and name HB#) 4.0 2.2 1.5 !#B1824 1.7E6 
assign (resid 63 and name HG#) (resid 36 and name HB#) 4.0 2.2 1.5 !#B1825 4.8E6 
assign (resid 63 and name HG#) (resid 40 and name HB) 4.0 2.2 1.5 !#B1827 7.1E7 
assign (resid 63 and name HG#) (resid 40 and name HB) 4.0 2.2 1.5 !#B1830 3E8 
assign (resid 91 and name HG#) (resid 8 and name HD1#) 4.0 2.2 2 !#B1833 1.4E8 
assign (resid 91 and name HG#) (resid 8 and name HD2#) 4.0 2.2 2 !#B1835 8.5E7 

assign (resid 86 and name HG#) (resid 87 and name HB#) 3.0 1.2 1.5 !#B1841 2.3E8 
assign (resid 86 and name HG#) (resid 83 and name HA) 3.0 1.2 0.8 !#B1844 5.7E7 
assign (resid 86 and name HG#) (resid 82 and name HG2#) 3.0 1.2 1.5 !#B1845 1E8 
assign (resid 86 and name HG#) (resid 82 and name HG2#) 3.0 1.2 1.5 !#B1846 5.6E7 

assign (resid 97 and name HG#) (resid 98 and name HN) 4.0 2.2 2 !#B1862 1.6E6 
assign (resid 97 and name HG#) (resid 94 and name HA) 4.0 2.2 1.5 !#B1863 2.5E7 
assign (resid 97 and name HG#) (resid 94 and name HA) 4.0 2.2 1.5 !#B1864 5.2E6 

assign (resid 59 and name HG#) (resid 56 and name HA) 4.0 2.2 1.5 !#B1884 5.3E7 
assign (resid 59 and name HG#) (resid 56 and name HA) 4.0 2.2 1.5 !#B1885 4.9E7 

assign (resid 70 and name HG#) (resid 71 and name HN) 4.0 2.2 1.5 !#B1891 1.5E6 
assign (resid 70 and name HG#) (resid 67 and name HA) 4.0 2.2 1.5 !#B1895 1.2E7 

assign (resid 13 and name HG#) (resid 16 and name HN) 4.0 2.2 1.5 !#B1905 1.5E7 
assign (resid 13 and name HG#) (resid 16 and name HN) 4.0 2.2 1.5 !#B1906 4.3E6 
assign (resid 13 and name HG#) (resid 14 and name HA) 4.0 2.2 1.5 !#B1907 6.3E7 
assign (resid 13 and name HG#) (resid 14 and name HA) 4.0 2.2 1.5 !#B1908 2.2E7 
assign (resid 13 and name HG#) (resid 41 and name HD1#) 4.0 2.2 1.5 !#B1912 8.1E7 
assign (resid 13 and name HG#) (resid 41 and name HD1#) 4.0 2.2 1.5 !#B1913 6.4E7 

assign (resid 38 and name HG#) (resid 37 and name HD1#) 4.0 2.2 1.5 !#B1935 6E7 
assign (resid 38 and name HG#) (resid 37 and name HD1#) 4.0 2.2 1.5 !#B1942 9.3E7 

assign (resid 87 and name HG#) (resid 84 and name HA) 3.0 1.2 1.5 !#B1973 7.1E7 

assign (resid 60 and name HG#) (resid 64 and name HD#) 4.0 2.2 1.5 !#B1978 5E5
assign (resid 60 and name HG#) (resid 64 and name HD#) 4.0 2.2 1.5 !#B1979 1.3E6
assign (resid 60 and name HG#) (resid 44 and name HG2#) 3.0 1.2 1.5 !#B1995 7.8E7

assign (resid 61 and name HG#) (resid 57 and name HA) 4.0 2.2 1.5 !#B2003 -1E7
assign (resid 61 and name HG#) (resid 57 and name HG) 4.0 2.2 1.5 !#B2006 1E7
assign (resid 61 and name HG#) (resid 57 and name HD1#) 4.0 2.2 1.5 !#B2007 1.8E7

assign (resid 83 and name HB#) (resid 80 and name HN) 4.0 2.2 1.5 !#B2016 1E7
assign (resid 83 and name HB#) (resid 80 and name HN) 4.0 2.2 1.5 !#B2017 1.1E7
                                                           
assign (resid 67 and name HG1#) (resid 68 and name HD2#) 4.0 2.2 2 !#B2050 8.6E8 

assign (resid 40 and name HG1#) (resid 44 and name HB) 4.0 2.2 1.5 !#B2066 6.3E6
assign (resid 40 and name HG1#) (resid 56 and name HD#) 4.0 2.2 2 !#B2067 4E6

assign (resid 33 and name HG1#) (resid 32 and name HB#) 4.0 2.2 1.5 !#B2084 1.2E7

assign (resid 82 and name HG1#) (resid 83 and name HA) 4.0 2.2 1.5 !#B2089 1.7E7

assign (resid 15 and name HG1#) (resid 16 and name HA) 4.0 2.2 1.5 !#B2105 2.3E7
assign (resid 15 and name HG1#) (resid 12 and name HB#) 4.0 2.2 1.5 !#B2109 1.9E7

assign (resid 81 and name HG2#) (resid 22 and name HB#) 4.0 2.2 1.5 !#B2118 9.5E6

assign (resid 30 and name HD2#) (resid 20 and name HD2) 4.0 2.2 1.5 !#B2123 1.6E6
assign (resid 30 and name HD2#) (resid 34 and name HB#) 4.0 2.2 1.5 !#B2139 6.2E6

assign (resid 12 and name HD2#) (resid 37 and name HG) 4.0 2.2 1.5 !#B2146 2.6E6

assign (resid 68 and name HD2#) (resid 85 and name HB) 4.0 2.2 1.5 !#B2157 2.1E5
assign (resid 68 and name HD2#) (resid 19 and name HB#) 4.0 2.2 1.5 !#B2157 2.1E5
assign (resid 68 and name HD2#) (resid 86 and name HA) 4.0 2.2 1.5 !#B2161 9.2E6

assign (resid 40 and name HG2#) (resid 60 and name HG#) 4.0 2.2 1.5 !#B2177 9.4E6

assign (resid 15 and name HG2#) (resid 12 and name HB#) 4.0 2.2 1.5 !#B2186 1.2E6
assign (resid 15 and name HG2#) (resid 88 and name HB#) 4.0 2.2 1.5 !#B2187 8.1E6

assign (resid 99 and name HD1#) (resid 48 and name HA) 4.0 2.2 1.5 !#B2198 7.5E6
! assign (resid 99 and name HD1#) (resid 47 and name HB#) 4.0 2.2 2 !#B2199 7E6 
! assign (resid 99 and name HD1#) (resid 47 and name HB#) 4.0 2.2 2 !#B2200 8.4E6 
assign (resid 99 and name HD1#) (resid 96 and name HD2#) 4.0 2.2 2.5 !#B2204 -4.6E4 

assign (resid 96 and name HD2#) (resid 64 and name HD#) 4.0 2.2 1.5 !#B2207 1.5E6
assign (resid 96 and name HD2#) (resid 5 and name HG) 4.0 2.2 1.5 !#B2214 6.3E6

assign (resid 82 and name HG2#) (resid 72 and name HN) 4.0 2.2 1.5 !#B2220 4E6
assign (resid 82 and name HG2#) (resid 83 and name HN) 4.0 2.2 1.5 !#B2221 5.7E6

assign (resid 71 and name HD1#) (resid 23 and name HD1) 4.0 2.2 2 !#B2227 5.2E6 
assign (resid 71 and name HD1#) (resid 23 and name HE3) 4.0 2.2 2 !#B2228 9.4E5 
assign (resid 71 and name HD1#) (resid 23 and name HZ3) 4.0 2.2 2 !#B2226 1E7

assign (resid 71 and name HD1#) (resid 68 and name HG) 3.0 1.2 1.5 !#B2234 5.7E6
assign (resid 71 and name HD1#) (resid 68 and name HB#) 4.0 2.2 1.5 !#B2235 4.2E6
assign (resid 71 and name HD1#) (resid 68 and name HD1#) 4.0 2.2 2 !#B2236 3.6E6

assign (resid 33 and name HG2#) (resid 23 and name HD1) 4.0 2.2 2.0 !#B2239  1.4E7
assign (resid 33 and name HG2#) (resid 23 and name HZ3) 4.0 2.2 2 !#B2240 3.4E6
assign (resid 33 and name HG2#) (resid 23 and name HZ2) 4.0 2.2 2 !#B2241 2.6E6

assign (resid 57 and name HD1#) (resid 64 and name HD#) 4.0 2.2 1.5 !#B2253 6.3E6
assign (resid 57 and name HD1#) (resid 64 and name HE#) 4.0 2.2 1.5 !#B2253 6.3E6
assign (resid 57 and name HD1#) (resid 64 and name HZ) 4.0 2.2 1.5 !#B2255 1.7E6
assign (resid 57 and name HD1#) (resid 61 and name HG#) 4.0 2.2 1.5 !#B2258 1.9E7
assign (resid 57 and name HD1#) (resid 60 and name HB#) 4.0 2.2 1.5 !#B2259 2E7
assign (resid 57 and name HD1#) (resid 96 and name HB#) 3.0 1.2 1.5 !#B2262 1.2E7
assign (resid 57 and name HD1#) (resid 56 and name HD#) 4.0 2.2 1.5 !#B2263 3E7

assign (resid 67 and name HG2#) (resid 33 and name HG2#) 4.0 2.2 1.5 !#B2277 1.4E7

assign (resid 30 and name HD1#) (resid 20 and name HB#) 4.0 2.2 1.5 !#B2284 1.9E7

assign (resid 75 and name HD1#) (resid 79 and name HA) 4.0 2.2 1.5 !#B2297 9.9E6

assign (resid 12 and name HD1#) (resid 16 and name HG) 4.0 2.2 1.5 !#B2304 2.2E7

assign (resid 71 and name HD1#) (resid 68 and name HD1#) 4.0 2.2 2 !#B2318 2.1E7 
assign (resid 71 and name HD1#) (resid 72 and name HB#) 4.0 2.2 1.5 !#B2324 1.4E7 

assign (resid 75 and name HD2#) (resid 23 and name HE3) 4.0 2.2 2 !#B2329 1.9E6 
assign (resid 75 and name HD2#) (resid 79 and name HA) 3.0 1.2 1.5 !#B2331 1.2E7
assign (resid 75 and name HD2#) (resid 79 and name HE#) 4.0 2.2 1.5 !#B2333 3.8E7`

assign (resid 96 and name HD1#) (resid 92 and name HA) 4.0 2.2 1.5 !#B2350 1.2E7
assign (resid 96 and name HD1#) (resid 56 and name HE#) 4.0 2.2 2 !#B2351 7.9E6 

assign (resid 57 and name HD2#) (resid 64 and name HD#) 4.0 2.2 2 !#B2364 1.7E6
assign (resid 57 and name HD2#) (resid 64 and name HE#) 4.0 2.2 2 !#B2364 1.7E6
assign (resid 57 and name HD2#) (resid 96 and name HA) 4.0 2.2 1.5 !#B2366 2.5E7
assign (resid 57 and name HD2#) (resid 96 and name HB#) 4.0 2.2 1.5 !#B2372 1.6E6

assign (resid 9 and name HD1#) (resid 44 and name HB) 2.5 0.7 1.0 !#B2380 7E7

assign (resid 99 and name HD2#) (resid 95 and name HB#) 4.0 2.2 1.5 !#B2384 4.8E7

assign (resid 19 and name HD1#) (resid 20 and name HA) 4.0 2.2 1.5 !#B2389 3.4E7
assign (resid 19 and name HD1#) (resid 16 and name HA) 3.0 1.2 1.5 !#B2391 3.7E7
assign (resid 19 and name HD1#) (resid 34 and name HB#) 4.0 2.2 1.5 !#B2393 1.1E7

assign (resid 37 and name HD2#) (resid 13 and name HG#) 4.0 2.2 1.5 !#B2408 1.3E7
assign (resid 37 and name HD2#) (resid 12 and name HD2#) 3.0 1.2 1.5 !#B2414 1.7E8

assign (resid 16 and name HD1#) (resid 34 and name HA) 4.0 2.2 1.5 !#B2416 8.8E7

assign (resid 9 and name HD2#) (resid 44 and name HB) 3.0 1.2 1.5 !#B2423 4.8E7

assign (resid 19 and name HD1#) (resid 23 and name HE3) 4.0 2.2 2 !#B2429 2.5E5
assign (resid 19 and name HD1#) (resid 68 and name HN) 4.0 2.2 2 !#B2430 5.2E5

assign (resid 5 and name HD1#) (resid 8 and name HA) 4.0 2.2 2 !#B2434 3.5E7
assign (resid 37 and name HD1#) (resid 38 and name HG#) 4.0 2.2 1.5 !#B2439 2.5E7
assign (resid 37 and name HD1#) (resid 13 and name HB#) 4.0 2.2 1.5 !#B2440 1.4E7
assign (resid 37 and name HD1#) (resid 12 and name HD2#) 4.0 2.2 1.5 !#B2449 5.7E9

assign (resid 16 and name HD2#) (resid 85 and name HA) 4.0 2.2 2 !#B2454 1.8E7
assign (resid 16 and name HD2#) (resid 13 and name HA) 4.0 2.2 2 !#B2455 1.7E7
assign (resid 16 and name HD2#) (resid 15 and name HB) 4.0 2.2 2 !#B2460 8.3E6
assign (resid 16 and name HD2#) (resid 12 and name HG) 4.0 2.2 2 !#B2461 7.9E7

assign (resid 5 and name HD2#) (resid 95 and name HB#) 4.0 2.2 2 !#B2456 2.7E7
assign (resid 5 and name HD2#) (resid 96 and name HD2#) 4.0 2.2 2 !#B2464 1.3E8

assign (resid 8 and name HD2#) (resid 11 and name HB#) 4.0 2.2 2 !#B2457 2E7
assign (resid 8 and name HD2#) (resid 7 and name HB#) 4.0 2.2 2 !#B2458 1.2E7
assign (resid 8 and name HD2#) (resid 11 and name HB#) 4.0 2.2 2 !#B2459 1.6E7
assign (resid 8 and name HD2#) (resid 92 and name HG2#) 4.0 2.2 2 !#B2463 2.3E8


! R38

assign (resid 44 and name HG1#) (resid 56 and name HD#) 4.0 2.2 2.0 !#B2503 1.4E7

assign (resid 41 and name HG1#) (resid 44 and name HG1#) 4.0 2.2 2.0 !#B2517 1.6E6

assign (resid 89 and name HD1#) (resid 12 and name HG) 4.0 2.2 2.0 !#B2522 1.3E7
assign (resid 89 and name HD1#) (resid 85 and name HD1#) 4.0 2.2 2.0 !#B2526 6.7E7

assign (resid 44 and name HD1#) (resid 56 and name HD#) 4.0 2.2 2.0 !#B2549 5.8E6
assign (resid 44 and name HD1#) (resid 41 and name HD1#) 4.0 2.2 2.0 !#B2550 3.8E8

assign (resid 92 and name HD1#) (resid 12 and name HA) 3.0 1.2 1.5 !#B2559 4.7E7

assign (resid 41 and name HG2#) (resid 44 and name HN) 4.0 2.2 2.0 !#B2587 2.7E6
assign (resid 41 and name HG2#) (resid 38 and name HG#) 4.0 2.2 2.0 !#B2591 4.7E5
assign (resid 41 and name HG2#) (resid 13 and name HB#) 4.0 2.2 2.0 !#B2594 1.4E6
assign (resid 41 and name HG2#) (resid 38 and name HA) 4.0 2.2 2.0 !#B2595 2.8E6
assign (resid 41 and name HG2#) (resid 42 and name HA) 4.0 2.2 2.0 !#B2596 2.9E6

assign (resid 44 and name HG2#) (resid 56 and name HD#) 4.0 2.2 2.0 !#B2604 4.5E5

assign (resid 89 and name HG2#) (resid 93 and name HB#) 4.0 2.2 2.0 !#B2626 4.5E6

assign (resid 92 and name HG2#) (resid 64 and name HB#) 4.0 2.2 2.0 !#B2638 6E6
assign (resid 92 and name HG2#) (resid 93 and name HB#) 4.0 2.2 2.0 !#B2639 4.4E6
assign (resid 92 and name HG2#) (resid 96 and name HB#) 4.0 2.2 2.0 !#B2640 1.9E7

assign (resid 85 and name HG2#) (resid 18 and name HD2#) 4.0 2.2 2.0 !#B2647 1.4E7

assign (resid 56 and name HG#) (resid 53 and name HN) 4.0 2.2 2.0 !#B2672 7.7E6
assign (resid 56 and name HG#) (resid 43 and name HA) 4.0 2.2 2.0 !#B2682 1.4E7

assign (resid 27 and name HG#) (resid 28 and name HA) 4.0 2.2 2.0 !#B2712 1.6E7
assign (resid 27 and name HG#) (resid 28 and name HA) 4.0 2.2 2.0 !#B2713 1.9E7

assign (resid 30 and name HG) (resid 19 and name HG) 2.5 0.7 0.9 !#B2727 2.4E7

assign (resid 12 and name HG) (resid 15 and name HG1#) 4.0 2.2 2.0 !#B2732 5.6E6

assign (resid 96 and name HG) (resid 92 and name HG2#) 4.0 2.2 2.0 !#B2739 1.8E6
assign (resid 96 and name HG) (resid 5 and name HD1#) 4.0 2.2 2.0 !#B2740 3.2E7
assign (resid 96 and name HG) (resid 93 and name HA) 3.0 1.2 1.0 !#B2744 1.4E7

assign (resid 99 and name HG) (resid 96 and name HA) 4.0 2.2 2.0 !#B2749 1.1E6

assign (resid 16 and name HG) (resid 34 and name HA) 4.0 2.2 2.0 !#B2753 4.8E6

assign (resid 68 and name HG) (resid 19 and name HB#) 4.0 2.2 2.0 !#B2759 1.1E7
assign (resid 68 and name HG) (resid 71 and name HB#) 4.0 2.2 2.0 !#B2759 1.1E7
assign (resid 68 and name HG) (resid 85 and name HB) 4.0 2.2 2.0 !#B2759 1.1E7

assign (resid 37 and name HG) (resid 12 and name HD1#) 4.0 2.2 2.0 !#B2773 2E7
assign (resid 37 and name HG) (resid 41 and name HD1#) 4.0 2.2 2.0 !#B2773 2E7

assign (resid 19 and name HG) (resid 16 and name HB#) 4.0 2.2 2.0 !#B2787 3.2E7

assign (resid 57 and name HG) (resid 64 and name HE#) 4.0 2.2 2.0 !#B2790 2.8E6

! r39

assign (resid 4 and name HN) (resid 5 and name HB#) 4.0 2.2 1.0 !#A290 4.7e6 
assign (resid 4 and name HN) (resid 48 and name HG#) 4.0 2.2 1.0 !#A291 6.7e7
assign (resid 4 and name HN) (resid 2 and name HB#) 4.0 2.2 1.5 !#A292 3.7e6

assign (resid 6 and name HN) (resid 3 and name HN) 4.0 2.2 1.5 !#A302 7.7E6

assign (resid 10 and name HN) (resid 12 and name HB#) 4.0 2.2 1.5 !#A334 1.7E7

assign (resid 12 and name HN) (resid 15 and name HG2#) 4.0 2.2 1.5 !#A347 5.8E6

assign (resid 13 and name HN) (resid 16 and name HB#) 4.0 2.2 1.5 !#A364 2.5E7 
assign (resid 13 and name HN) (resid 89 and name HG1#) 4.0 2.2 1.5 !#A366 2.4E6 

assign (resid 86 and name HN) (resid 85 and name HD1#) 4.0 2.2 1.5 !#A367 3.6E7
assign (resid 86 and name HN) (resid 82 and name HB) 4.0 2.2 1.5 !#A369 7.8E7

assign (resid 48 and name HN) (resid 45 and name HA) 4.0 2.2 1.5 !#A370 1.4E7

assign (resid 14 and name HN) (resid 15 and name HG2#) 4.0 2.2 1.5 !A#378 7.7E7

assign (resid 16 and name HN) (resid 19 and name HB#) 4.0 2.2 1.5 !A#400 1.1E8

assign (resid 18 and name HN) (resid 19 and name HB#) 4.0 2.2 1.0 !A#415 5.7E6

assign (resid 19 and name HN) (resid 85 and name HD1#) 4.0 2.2 1.5 !#A428 9.4E6

assign (resid 22 and name HN) (resid 19 and name HN) 4.0 2.2 1.5 !#A451 7.9E6
assign (resid 22 and name HN) (resid 19 and name HB#) 4.0 2.2 2.0 !#A456 5.8E6
assign (resid 22 and name HN) (resid 75 and name HD1#) 4.0 2.2 2.0 !#A458 2E6

assign (resid 23 and name HN) (resid 75 and name HD1#) 4.0 2.2 2.0 !#A468 2.9E6
assign (resid 23 and name HN) (resid 23 and name HD1) 3.0 1.2 0.8 !#A469 7.3E6

! R40
assign (resid 27 and name HN) (resid 27 and name HD#) 4.0 2.2 1.0 !#A487 1.4E6

assign (resid 29 and name HN) (resid 26 and name HA#) 4.0 2.2 1.0 !#A510 3.8E7

assign (resid 24 and name HN) (resid 75 and name HD1#) 4.0 2.2 2.0 !#A517 4.9E6
assign (resid 24 and name HN) (resid 76 and name HB#) 4.0 2.2 2.0 !#A519 2.9E6

assign (resid 33 and name HN) (resid 34 and name HA) 4.0 2.2 1.5 !#A544 2.3E7
assign (resid 33 and name HN) (resid 36 and name HB#) 4.0 2.2 1.5 !#A545 1.3E7

assign (resid 31 and name HN) (resid 27 and name HB#) 4.0 2.2 1.5 !#A561 4.6E6

assign (resid 36 and name HN) (resid 67 and name HG2#) 4.0 2.2 2 !#A573 4E6
assign (resid 36 and name HN) (resid 37 and name HB#) 4.0 2.2 1.5 !#A574 1E7

assign (resid 37 and name HN) (resid 67 and name HG2#) 3.0 1.2 1.0 !#A580 6E6

assign (resid 39 and name HN) (resid 37 and name HB#) 4.0 2.2 2 !#A608 8.1E6
assign (resid 39 and name HN) (resid 40 and name HG2#) 4.0 2.2 2 !#A609 7.4E6
assign (resid 39 and name HN) (resid 36 and name HN) 4.0 2.2 2 !#A610 2.2E7

assign (resid 41 and name HN) (resid 37 and name HG) 4.0 2.2 2 !#A626 1.1E8

assign (resid 42 and name HN) (resid 41 and name HG1#) 4.0 2.2 2 !#A638 5.4E7
assign (resid 42 and name HN) (resid 41 and name HG2#) 4.0 2.2 2 !#A637 4.9E7

assign (resid 43 and name HN) (resid 44 and name HA) 4.0 2.2 1.5 !#A642 2.4E6
assign (resid 43 and name HN) (resid 60 and name HG#) 4.0 2.2 2 !#A644 6.1E6

assign (resid 44 and name HN) (resid 56 and name HD#) 4.0 2.2 1.5 !#A655 3.7E6
assign (resid 44 and name HN) (resid 46 and name HB#) 4.0 2.2 1.5 !#A657 4.7E6
assign (resid 44 and name HN) (resid 43 and name HB#) 3.0 1.2 1.5 !#A660 2.6E7

assign (resid 45 and name HN) (resid 46 and name HB#) 4.0 2.2 1.5 !#A674 2.3E7

assign (resid 47 and name HN) (resid 44 and name HG1#) 4.0 2.2 2 !#A687 2.2E6

assign (resid 50 and name HN) (resid 3 and name HA#) 4.0 2.2 2 !#A700 1.2E6

assign (resid 55 and name HN) (resid 57 and name HB#) 4.0 2.2 2 !#A720 3.3e6
assign (resid 55 and name HN) (resid 56 and name HB#) 4.0 2.2 2 !#A721 8.3e5
assign (resid 55 and name HN) (resid 100 and name HG2#) 4.0 2.2 2 !#A722 1.3E6
assign (resid 55 and name HN) (resid 53 and name HA) 4.0 2.2 2 !#A724 4.2E6
assign (resid 55 and name HN) (resid 58 and name HN) 4.0 2.2 2 !#A728 6.3E6

assign (resid 68 and name HN) (resid 64 and name HD#) 4.0 2.2 1.5 !#A738 1.5E7
assign (resid 68 and name HN) (resid 67 and name HB#) 2.5 0.7 0.4 !#A741 7.4E7

assign (resid 59 and name HN) (resid 56 and name HD#) 4.0 2.2 2 !#A756 1.4E7

assign (resid 64 and name HN) (resid 63 and name HG#) 4.0 2.2 1.5 !#A795 1.1E6

assign (resid 66 and name HN) (resid 67 and name HG2#) 4.0 2.2 2 !#A818 1.6E6

assign (resid 67 and name HN) (resid 36 and name HB#) 4.0 2.2 1.0 !#A827 2.6E6

assign (resid 69 and name HN) (resid 72 and name HN) 4.0 2.2 1.5 !#A832 4.9E7
assign (resid 69 and name HN) (resid 70 and name HB#) 4.0 2.2 1.5 !#A838 1.3E7
assign (resid 69 and name HN) (resid 67 and name HB) 4.0 2.2 1.5 !#A839 2.8E8
assign (resid 69 and name HN) (resid 67 and name HG1#) 4.0 2.2 2 !#A842 2.2E7
assign (resid 69 and name HN) (resid 33 and name HG2#) 4.0 2.2 2 !#A843 9.8E6
assign (resid 69 and name HN) (resid 68 and name HD1#) 4.0 2.2 2 !#A844 1.9E7
assign (resid 69 and name HN) (resid 68 and name HD2#) 4.0 2.2 2 !#A845 1.5E7

assign (resid 72 and name HN) (resid 73 and name HB#) 4.0 2.2 2 !#A880 8.2E6

assign (resid 74 and name HN) (resid 75 and name HB#) 4.0 2.2 2 !#A890 4.1E6
assign (resid 74 and name HN) (resid 75 and name HB#) 4.0 2.2 2 !#A891 8E6

assign (resid 76 and name HN) (resid 22 and name HB#) 4.0 2.2 2 !#A904 5.3E6

assign (resid 77 and name HN) (resid 75 and name HD1#) 4.0 2.2 2 !#A910 3.3E6
assign (resid 77 and name HN) (resid 75 and name HB#) 3.0 1.2 1.5 !#A912 1.1E7
assign (resid 77 and name HN) (resid 22 and name HB#) 4.0 2.2 2 !#A914 5.5E6 6.6A

assign (resid 79 and name HN) (resid 80 and name HB#) 4.0 2.2 2 !#A928 2.8E6

assign (resid 80 and name HN) (resid 79 and name HB#) 4.0 2.2 2 !#A934 7.6E6
assign (resid 80 and name HN) (resid 75 and name HD2#) 4.0 2.2 2 !#A936 8.7E6

assign (resid 81 and name HN) (resid 75 and name HD1#) 4.0 2.2 2 !#A944 9.2E6
assign (resid 81 and name HN) (resid 75 and name HD2#) 4.0 2.2 2 !#A944 9.2E6

assign (resid 83 and name HN) (resid 84 and name HA) 4.0 2.2 2 !#A948 2.3E7

assign (resid 84 and name HN) (resid 85 and name HB) 4.0 2.2 2 !#A956 1E8

assign (resid 88 and name HN) (resid 89 and name HB) 4.0 2.2 2 !#A971 4.9E6
assign (resid 88 and name HN) (resid 89 and name HG2#) 4.0 2.2 2 !#A973 1.2E6

assign (resid 89 and name HN) (resid 86 and name HN) 4.0 2.2 1.5 !#A977 3E6
assign (resid 89 and name HN) (resid 90 and name HB#) 4.0 2.2 2 !#A984 3.2E7

assign (resid 90 and name HN) (resid 89 and name HB) 4.0 2.2 2 !#A994 8.3E7

assign (resid 92 and name HN) (resid 93 and name HB#) 4.0 2.2 2 !#A1012 3.2E6

assign (resid 94 and name HN) (resid 96 and name HB#) 4.0 2.2 2 !#A1018 1.5E7

assign (resid 95 and name HN) (resid 92 and name HG2#) 4.0 2.2 2 !#A1026 2.8E7
assign (resid 92 and name HN) (resid 96 and name HB#) 4.0 2.2 2 !#A1027 7.9E7

assign (resid 96 and name HN) (resid 99 and name HN) 4.0 2.2 2 !#A1031 4E6
assign (resid 96 and name HN) (resid 93 and name HE#) 4.0 2.2 2 !#A1033 3.2E6
assign (resid 96 and name HN) (resid 93 and name HD#) 4.0 2.2 2 !#A1034 1.7E6
assign (resid 96 and name HN) (resid 95 and name HB#) 4.0 2.2 2 !#A1038 4.9E7
assign (resid 96 and name HN) (resid 97 and name HB#) 4.0 2.2 2 !#A1039 1.1E7
assign (resid 96 and name HN) (resid 5 and name HD1#) 4.0 2.2 2 !#A1040 1.5E7

assign (resid 92 and name HA) (resid 93 and name HD#) 4.0 2.2 2 !#B651 4.3E6 6.8A

assign (resid 94 and name HA) (resid 93 and name HE#) 4.0 2.2 2 !#B672 3.8E6 6.2A

assign (resid 57 and name HB#) (resid 47 and name HD#) 4.0 2.2 2 !#B1235 4.1E6
assign (resid 57 and name HB#) (resid 47 and name HD#) 4.0 2.2 2 !#B1236 7.2E6

assign (resid 60 and name HB#) (resid 47 and name HD#) 4.0 2.2 2 !#B1254 7E6

assign (resid 70 and name HB#) (resid 23 and name HD1) 4.0 2.2 2 !#B1379 1.1E7
assign (resid 70 and name HB#) (resid 23 and name HD1) 4.0 2.2 2 !#B1380 2.1E6
assign (resid 70 and name HG#) (resid 23 and name HD1) 4.0 2.2 2 !#B1900 1.7E6

assign (resid 33 and name HG1#) (resid 23 and name HD1) 4.0 2.2 2 !#B2073 4.2E6
assign (resid 33 and name HG1#) (resid 23 and name HZ3) 4.0 2.2 2 !#B2074 4E6






































  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1           HT1      MET   1  -2.419 -22.761   5.389
    2   2H    MET   1           HT2      MET   1  -1.976 -21.942   3.947
    3   3H    MET   1           HT3      MET   1  -2.863 -21.120   5.166
    4    HA   MET   1           HA       MET   1  -0.951 -21.580   6.669
    5   1HB   MET   1          HB2       MET   1   0.296 -22.152   3.971
    6   2HB   MET   1          HB1       MET   1   1.197 -21.931   5.466
    7   1HG   MET   1          HG2       MET   1   0.132 -23.889   6.424
    8   2HG   MET   1          HG1       MET   1  -0.830 -24.098   4.962
    9   1HE   MET   1          HE1       MET   1   1.223 -25.254   2.313
   10   2HE   MET   1          HE2       MET   1   2.086 -23.738   2.576
   11   3HE   MET   1          HE3       MET   1   0.332 -23.796   2.748
   12    H    TYR   2           HN       TYR   2  -0.901 -20.194   3.383
   13    HA   TYR   2           HA       TYR   2   0.557 -17.887   4.016
   14   1HB   TYR   2          HB2       TYR   2  -1.580 -18.090   1.888
   15   2HB   TYR   2          HB1       TYR   2  -0.199 -16.998   1.911
   16    HD1  TYR   2           HD1      TYR   2  -1.376 -20.326   1.088
   17    HD2  TYR   2           HD2      TYR   2   2.087 -17.897   1.544
   18    HE1  TYR   2           HE1      TYR   2  -0.061 -21.972  -0.180
   19    HE2  TYR   2           HE2      TYR   2   3.411 -19.537   0.277
   20    HH   TYR   2           HH       TYR   2   3.058 -21.315  -1.364
   21    H    GLY   3           HN       GLY   3   0.053 -16.200   5.249
   22   1HA   GLY   3          HA2       GLY   3  -2.394 -14.824   5.145
   23   2HA   GLY   3          HA1       GLY   3  -2.427 -15.902   6.530
   24    H    LYS   4           HN       LYS   4   0.342 -15.701   7.202
   25    HA   LYS   4           HA       LYS   4   0.258 -13.406   8.833
   26   1HB   LYS   4          HB2       LYS   4   1.591 -15.527   9.255
   27   2HB   LYS   4          HB1       LYS   4   2.755 -14.926   8.082
   28   1HG   LYS   4          HG2       LYS   4   3.602 -14.362  10.204
   29   2HG   LYS   4          HG1       LYS   4   2.965 -12.867   9.517
   30   1HD   LYS   4          HD2       LYS   4   0.868 -13.245  10.804
   31   2HD   LYS   4          HD1       LYS   4   1.641 -14.632  11.574
   32   1HE   LYS   4          HE2       LYS   4   3.471 -13.034  12.292
   33   2HE   LYS   4          HE1       LYS   4   2.407 -11.729  11.773
   34   1HZ   LYS   4          HZ1       LYS   4   2.108 -12.067  14.097
   35   2HZ   LYS   4          HZ2       LYS   4   1.872 -13.730  13.898
   36   3HZ   LYS   4          HZ3       LYS   4   0.717 -12.638  13.321
   37    H    LEU   5           HN       LEU   5   1.149 -13.763   5.557
   38    HA   LEU   5           HA       LEU   5   3.086 -11.792   5.265
   39   1HB   LEU   5          HB2       LEU   5   1.765 -13.346   3.520
   40   2HB   LEU   5          HB1       LEU   5   0.889 -11.848   3.265
   41    HG   LEU   5           HG       LEU   5   2.578 -11.843   1.632
   42   1HD1  LEU   5          HD11      LEU   5   2.370  -9.740   2.954
   43   2HD1  LEU   5          HD12      LEU   5   3.938  -9.958   2.177
   44   3HD1  LEU   5          HD13      LEU   5   3.760 -10.263   3.905
   45   1HD2  LEU   5          HD21      LEU   5   3.886 -13.615   3.201
   46   2HD2  LEU   5          HD22      LEU   5   4.882 -12.178   3.433
   47   3HD2  LEU   5          HD23      LEU   5   4.608 -12.808   1.809
   48    H    ASN   6           HN       ASN   6  -0.236 -11.593   6.152
   49    HA   ASN   6           HA       ASN   6  -0.793  -8.957   5.459
   50   1HB   ASN   6          HB2       ASN   6  -2.554  -9.056   7.176
   51   2HB   ASN   6          HB1       ASN   6  -2.558 -10.473   6.130
   52   1HD2  ASN   6          HD21      ASN   6  -3.810 -10.526   8.553
   53   2HD2  ASN   6          HD22      ASN   6  -2.955 -11.569   9.634
   54    H    ASP   7           HN       ASP   7   0.751 -10.340   8.304
   55    HA   ASP   7           HA       ASP   7   0.841  -8.154   9.983
   56   1HB   ASP   7          HB2       ASP   7   1.802 -10.581  10.251
   57   2HB   ASP   7          HB1       ASP   7   3.289  -9.854   9.650
   58    H    LEU   8           HN       LEU   8   2.591  -8.755   7.046
   59    HA   LEU   8           HA       LEU   8   4.380  -6.503   7.434
   60   1HB   LEU   8          HB2       LEU   8   5.311  -8.433   6.354
   61   2HB   LEU   8          HB1       LEU   8   4.009  -8.477   5.185
   62    HG   LEU   8           HG       LEU   8   6.284  -7.610   4.404
   63   1HD1  LEU   8          HD11      LEU   8   4.315  -5.516   3.780
   64   2HD1  LEU   8          HD12      LEU   8   3.788  -7.176   3.504
   65   3HD1  LEU   8          HD13      LEU   8   5.239  -6.568   2.708
   66   1HD2  LEU   8          HD21      LEU   8   6.092  -5.964   6.569
   67   2HD2  LEU   8          HD22      LEU   8   5.570  -4.905   5.258
   68   3HD2  LEU   8          HD23      LEU   8   7.144  -5.695   5.180
   69    H    LEU   9           HN       LEU   9   1.413  -7.303   5.787
   70    HA   LEU   9           HA       LEU   9   1.378  -5.127   3.972
   71   1HB   LEU   9          HB2       LEU   9  -0.595  -7.086   5.011
   72   2HB   LEU   9          HB1       LEU   9  -1.233  -5.621   4.292
   73    HG   LEU   9           HG       LEU   9   0.693  -7.463   2.882
   74   1HD1  LEU   9          HD11      LEU   9  -1.660  -8.367   3.537
   75   2HD1  LEU   9          HD12      LEU   9  -1.056  -8.588   1.895
   76   3HD1  LEU   9          HD13      LEU   9  -2.217  -7.307   2.243
   77   1HD2  LEU   9          HD21      LEU   9  -0.627  -6.159   0.954
   78   2HD2  LEU   9          HD22      LEU   9   0.871  -5.560   1.667
   79   3HD2  LEU   9          HD23      LEU   9  -0.682  -4.932   2.219
   80    H    GLU  10           HN       GLU  10   0.327  -5.551   7.296
   81    HA   GLU  10           HA       GLU  10  -1.289  -3.354   7.676
   82   1HB   GLU  10          HB2       GLU  10  -0.058  -5.264   9.296
   83   2HB   GLU  10          HB1       GLU  10   0.494  -3.722   9.932
   84   1HG   GLU  10          HG2       GLU  10  -1.499  -3.235  10.801
   85   2HG   GLU  10          HG1       GLU  10  -2.363  -3.780   9.364
   86    H    ASP  11           HN       ASP  11   2.256  -3.486   7.954
   87    HA   ASP  11           HA       ASP  11   2.786  -0.933   8.814
   88   1HB   ASP  11          HB2       ASP  11   4.308  -3.024   7.940
   89   2HB   ASP  11          HB1       ASP  11   4.576  -1.846   6.659
   90    H    LEU  12           HN       LEU  12   2.270  -1.988   5.471
   91    HA   LEU  12           HA       LEU  12   2.749   0.409   4.179
   92   1HB   LEU  12          HB2       LEU  12   2.365  -0.926   2.444
   93   2HB   LEU  12          HB1       LEU  12   1.719  -2.148   3.513
   94    HG   LEU  12           HG       LEU  12  -0.243  -0.071   2.839
   95   1HD1  LEU  12          HD11      LEU  12  -0.414  -1.476   0.532
   96   2HD1  LEU  12          HD12      LEU  12   1.333  -1.313   0.709
   97   3HD1  LEU  12          HD13      LEU  12   0.310   0.124   0.685
   98   1HD2  LEU  12          HD21      LEU  12  -0.076  -3.030   3.054
   99   2HD2  LEU  12          HD22      LEU  12  -1.376  -2.333   2.089
  100   3HD2  LEU  12          HD23      LEU  12  -1.218  -1.907   3.792
  101    H    GLN  13           HN       GLN  13  -0.421  -0.894   5.144
  102    HA   GLN  13           HA       GLN  13  -1.932   1.335   4.473
  103   1HB   GLN  13          HB2       GLN  13  -2.882  -0.865   5.078
  104   2HB   GLN  13          HB1       GLN  13  -2.437  -0.587   6.756
  105   1HG   GLN  13          HG2       GLN  13  -3.901   1.451   6.698
  106   2HG   GLN  13          HG1       GLN  13  -4.469   0.904   5.122
  107   1HE2  GLN  13          HE21      GLN  13  -5.695   1.197   7.893
  108   2HE2  GLN  13          HE22      GLN  13  -6.499  -0.311   8.148
  109    H    GLU  14           HN       GLU  14  -0.128   0.663   7.428
  110    HA   GLU  14           HA       GLU  14  -1.109   2.989   8.805
  111   1HB   GLU  14          HB2       GLU  14   1.203   1.124   9.367
  112   2HB   GLU  14          HB1       GLU  14   0.746   2.454  10.421
  113   1HG   GLU  14          HG2       GLU  14  -1.527   1.397  10.590
  114   2HG   GLU  14          HG1       GLU  14  -0.850  -0.003   9.759
  115    H    VAL  15           HN       VAL  15   1.474   2.251   6.628
  116    HA   VAL  15           HA       VAL  15   3.091   4.502   7.246
  117    HB   VAL  15           HB       VAL  15   3.621   2.300   5.876
  118   1HG1  VAL  15          HG11      VAL  15   3.934   3.479   3.415
  119   2HG1  VAL  15          HG12      VAL  15   2.305   3.957   3.878
  120   3HG1  VAL  15          HG13      VAL  15   2.744   2.255   3.833
  121   1HG2  VAL  15          HG21      VAL  15   4.916   4.902   5.121
  122   2HG2  VAL  15          HG22      VAL  15   5.647   3.294   5.190
  123   3HG2  VAL  15          HG23      VAL  15   5.148   4.099   6.676
  124    H    LEU  16           HN       LEU  16   0.269   3.984   5.305
  125    HA   LEU  16           HA       LEU  16   0.465   6.221   3.615
  126   1HB   LEU  16          HB2       LEU  16  -1.792   4.523   4.595
  127   2HB   LEU  16          HB1       LEU  16  -2.155   6.012   3.746
  128    HG   LEU  16           HG       LEU  16  -2.238   4.310   2.115
  129   1HD1  LEU  16          HD11      LEU  16   0.540   5.420   1.831
  130   2HD1  LEU  16          HD12      LEU  16  -0.919   6.360   1.525
  131   3HD1  LEU  16          HD13      LEU  16  -0.570   4.932   0.551
  132   1HD2  LEU  16          HD21      LEU  16  -0.996   2.656   3.552
  133   2HD2  LEU  16          HD22      LEU  16   0.493   3.355   2.923
  134   3HD2  LEU  16          HD23      LEU  16  -0.653   2.585   1.825
  135    H    LYS  17           HN       LYS  17  -0.848   5.802   6.871
  136    HA   LYS  17           HA       LYS  17  -2.192   8.105   7.352
  137   1HB   LYS  17          HB2       LYS  17  -1.798   6.373   9.055
  138   2HB   LYS  17          HB1       LYS  17  -0.122   6.887   9.192
  139   1HG   LYS  17          HG2       LYS  17  -2.000   9.074   9.573
  140   2HG   LYS  17          HG1       LYS  17  -2.226   7.763  10.732
  141   1HD   LYS  17          HD2       LYS  17  -0.447   8.445  11.877
  142   2HD   LYS  17          HD1       LYS  17   0.570   8.254  10.447
  143   1HE   LYS  17          HE2       LYS  17  -0.443  10.547   9.752
  144   2HE   LYS  17          HE1       LYS  17  -0.835  10.691  11.465
  145   1HZ   LYS  17          HZ1       LYS  17   1.320  10.938  12.030
  146   2HZ   LYS  17          HZ2       LYS  17   1.469  11.487  10.438
  147   3HZ   LYS  17          HZ3       LYS  17   1.889   9.895  10.826
  148    H    ASN  18           HN       ASN  18   1.299   7.730   7.149
  149    HA   ASN  18           HA       ASN  18   1.924  10.439   7.841
  150   1HB   ASN  18          HB2       ASN  18   3.370   8.043   7.143
  151   2HB   ASN  18          HB1       ASN  18   3.985   9.394   6.196
  152   1HD2  ASN  18          HD21      ASN  18   4.979   7.772   8.566
  153   2HD2  ASN  18          HD22      ASN  18   5.504   8.971   9.694
  154    H    LEU  19           HN       LEU  19   1.657   8.637   4.834
  155    HA   LEU  19           HA       LEU  19   2.353  10.496   2.963
  156   1HB   LEU  19          HB2       LEU  19   1.875   8.646   1.816
  157   2HB   LEU  19          HB1       LEU  19   0.834   8.051   3.085
  158    HG   LEU  19           HG       LEU  19  -0.274  10.108   1.237
  159   1HD1  LEU  19          HD11      LEU  19   0.499   8.808  -0.480
  160   2HD1  LEU  19          HD12      LEU  19  -1.008   7.977  -0.121
  161   3HD1  LEU  19          HD13      LEU  19   0.518   7.341   0.488
  162   1HD2  LEU  19          HD21      LEU  19  -1.246   7.895   2.958
  163   2HD2  LEU  19          HD22      LEU  19  -2.183   8.322   1.531
  164   3HD2  LEU  19          HD23      LEU  19  -1.860   9.536   2.768
  165    H    HIS  20           HN       HIS  20  -0.760  10.201   4.621
  166    HA   HIS  20           HA       HIS  20  -2.293  11.987   3.176
  167   1HB   HIS  20          HB2       HIS  20  -2.253  11.429   6.144
  168   2HB   HIS  20          HB1       HIS  20  -3.471  12.437   5.379
  169    HD1  HIS  20           HD1      HIS  20  -5.433  11.268   4.338
  170    HD2  HIS  20           HD2      HIS  20  -2.399   8.653   5.423
  171    HE1  HIS  20           HE1      HIS  20  -6.425   8.967   4.134
  172    HE2  HIS  20           HE2      HIS  20  -4.595   7.406   4.881
  173    H    LYS  21           HN       LYS  21   0.061  12.686   5.710
  174    HA   LYS  21           HA       LYS  21  -0.554  15.509   5.662
  175   1HB   LYS  21          HB2       LYS  21   1.762  14.258   7.101
  176   2HB   LYS  21          HB1       LYS  21   0.874  15.720   7.511
  177   1HG   LYS  21          HG2       LYS  21  -0.259  12.935   7.619
  178   2HG   LYS  21          HG1       LYS  21   0.385  13.822   9.003
  179   1HD   LYS  21          HD2       LYS  21  -1.888  14.250   9.167
  180   2HD   LYS  21          HD1       LYS  21  -1.305  15.663   8.287
  181   1HE   LYS  21          HE2       LYS  21  -2.313  15.034   6.334
  182   2HE   LYS  21          HE1       LYS  21  -2.158  13.317   6.692
  183   1HZ   LYS  21          HZ1       LYS  21  -3.937  14.808   8.430
  184   2HZ   LYS  21          HZ2       LYS  21  -4.121  13.268   7.756
  185   3HZ   LYS  21          HZ3       LYS  21  -4.454  14.641   6.828
  186    H    ASN  22           HN       ASN  22   1.128  13.755   3.495
  187    HA   ASN  22           HA       ASN  22   2.685  16.085   2.765
  188   1HB   ASN  22          HB2       ASN  22   3.934  13.544   3.710
  189   2HB   ASN  22          HB1       ASN  22   4.733  14.474   2.445
  190   1HD2  ASN  22          HD21      ASN  22   4.814  13.949   5.601
  191   2HD2  ASN  22          HD22      ASN  22   5.325  15.494   6.180
  192    H    TRP  23           HN       TRP  23   0.497  14.218   1.669
  193    HA   TRP  23           HA       TRP  23   1.796  13.210  -0.718
  194   1HB   TRP  23          HB2       TRP  23  -0.085  11.989  -1.105
  195   2HB   TRP  23          HB1       TRP  23  -0.308  12.253   0.614
  196    HD1  TRP  23           HD1      TRP  23  -2.543  13.265   1.289
  197    HE1  TRP  23           HE1      TRP  23  -4.498  14.393   0.090
  198    HE3  TRP  23           HE3      TRP  23  -0.499  13.526  -3.327
  199    HZ2  TRP  23           HZ2      TRP  23  -5.098  15.266  -2.558
  200    HZ3  TRP  23           HZ3      TRP  23  -1.802  14.475  -5.146
  201    HH2  TRP  23           HH2      TRP  23  -4.061  15.345  -4.787
  202    H    HIS  24           HN       HIS  24  -0.099  15.960   0.260
  203    HA   HIS  24           HA       HIS  24   0.733  17.557  -1.878
  204   1HB   HIS  24          HB2       HIS  24  -0.699  16.195  -3.285
  205   2HB   HIS  24          HB1       HIS  24  -2.056  16.426  -2.190
  206    HD1  HIS  24           HD1      HIS  24   0.206  18.559  -4.387
  207    HD2  HIS  24           HD2      HIS  24  -3.680  18.471  -2.915
  208    HE1  HIS  24           HE1      HIS  24  -0.965  20.506  -5.463
  209    HE2  HIS  24           HE2      HIS  24  -3.330  20.400  -4.602
  210    H    GLY  25           HN       GLY  25  -2.153  16.978   0.117
  211   1HA   GLY  25          HA2       GLY  25  -1.828  19.700   1.207
  212   2HA   GLY  25          HA1       GLY  25  -3.407  19.133   0.677
  213    H    GLY  26           HN       GLY  26  -4.453  17.469   1.859
  214   1HA   GLY  26          HA2       GLY  26  -3.258  16.839   4.463
  215   2HA   GLY  26          HA1       GLY  26  -4.886  17.500   4.383
  216    H    LYS  27           HN       LYS  27  -5.913  15.740   5.214
  217    HA   LYS  27           HA       LYS  27  -5.565  13.158   3.905
  218   1HB   LYS  27          HB2       LYS  27  -5.572  13.056   6.296
  219   2HB   LYS  27          HB1       LYS  27  -7.065  13.980   6.389
  220   1HG   LYS  27          HG2       LYS  27  -8.332  12.166   6.124
  221   2HG   LYS  27          HG1       LYS  27  -7.331  11.554   4.803
  222   1HD   LYS  27          HD2       LYS  27  -6.886   9.934   6.336
  223   2HD   LYS  27          HD1       LYS  27  -5.659  11.100   6.836
  224   1HE   LYS  27          HE2       LYS  27  -7.824  11.950   8.247
  225   2HE   LYS  27          HE1       LYS  27  -8.095  10.208   8.209
  226   1HZ   LYS  27          HZ1       LYS  27  -6.031  11.734   9.565
  227   2HZ   LYS  27          HZ2       LYS  27  -5.516  10.293   8.845
  228   3HZ   LYS  27          HZ3       LYS  27  -6.754  10.266   9.996
  229    H    ASP  28           HN       ASP  28  -7.727  15.829   3.933
  230    HA   ASP  28           HA       ASP  28 -10.164  14.698   3.326
  231   1HB   ASP  28          HB2       ASP  28  -8.891  17.272   2.421
  232   2HB   ASP  28          HB1       ASP  28 -10.534  16.839   1.958
  233    H    ASN  29           HN       ASN  29  -7.677  15.709   0.973
  234    HA   ASN  29           HA       ASN  29  -9.116  14.488  -1.199
  235   1HB   ASN  29          HB2       ASN  29  -6.361  15.725  -1.059
  236   2HB   ASN  29          HB1       ASN  29  -7.107  15.136  -2.542
  237   1HD2  ASN  29          HD21      ASN  29  -7.152  17.580  -0.081
  238   2HD2  ASN  29          HD22      ASN  29  -8.190  18.684  -0.909
  239    H    LEU  30           HN       LEU  30  -6.569  13.542   0.977
  240    HA   LEU  30           HA       LEU  30  -5.642  11.355  -0.631
  241   1HB   LEU  30          HB2       LEU  30  -4.389  12.585   1.249
  242   2HB   LEU  30          HB1       LEU  30  -5.319  11.596   2.348
  243    HG   LEU  30           HG       LEU  30  -3.014  10.751   1.892
  244   1HD1  LEU  30          HD11      LEU  30  -4.383   8.477   0.904
  245   2HD1  LEU  30          HD12      LEU  30  -5.455   9.338   2.004
  246   3HD1  LEU  30          HD13      LEU  30  -3.865   8.827   2.550
  247   1HD2  LEU  30          HD21      LEU  30  -4.122  10.231  -0.862
  248   2HD2  LEU  30          HD22      LEU  30  -2.629   9.533  -0.230
  249   3HD2  LEU  30          HD23      LEU  30  -2.769  11.275  -0.448
  250    H    HIS  31           HN       HIS  31  -8.131  11.869   1.752
  251    HA   HIS  31           HA       HIS  31  -8.656   9.334   2.666
  252   1HB   HIS  31          HB2       HIS  31  -9.961  11.785   2.744
  253   2HB   HIS  31          HB1       HIS  31 -11.116  10.728   1.942
  254    HD1  HIS  31           HD1      HIS  31 -10.147  11.793   5.201
  255    HD2  HIS  31           HD2      HIS  31 -11.468   8.208   3.568
  256    HE1  HIS  31           HE1      HIS  31 -10.978  10.436   7.147
  257    HE2  HIS  31           HE2      HIS  31 -11.693   8.237   6.145
  258    H    ASP  32           HN       ASP  32  -9.502  10.748  -0.449
  259    HA   ASP  32           HA       ASP  32 -11.040   8.478  -1.297
  260   1HB   ASP  32          HB2       ASP  32 -10.073  11.001  -2.573
  261   2HB   ASP  32          HB1       ASP  32 -10.587   9.676  -3.615
  262    H    VAL  33           HN       VAL  33  -7.715   9.349  -1.289
  263    HA   VAL  33           HA       VAL  33  -6.970   7.404  -3.303
  264    HB   VAL  33           HB       VAL  33  -5.670   9.638  -1.936
  265   1HG1  VAL  33          HG11      VAL  33  -4.068   7.169  -2.553
  266   2HG1  VAL  33          HG12      VAL  33  -4.224   7.970  -0.991
  267   3HG1  VAL  33          HG13      VAL  33  -3.371   8.770  -2.314
  268   1HG2  VAL  33          HG21      VAL  33  -4.699   9.991  -4.054
  269   2HG2  VAL  33          HG22      VAL  33  -6.355   9.451  -4.339
  270   3HG2  VAL  33          HG23      VAL  33  -5.012   8.324  -4.545
  271    H    ASP  34           HN       ASP  34  -6.144   7.919   0.160
  272    HA   ASP  34           HA       ASP  34  -4.963   5.392   0.482
  273   1HB   ASP  34          HB2       ASP  34  -4.425   6.787   2.239
  274   2HB   ASP  34          HB1       ASP  34  -6.058   7.440   2.365
  275    H    ASN  35           HN       ASN  35  -8.267   6.396   0.279
  276    HA   ASN  35           HA       ASN  35  -9.556   4.281   1.590
  277   1HB   ASN  35          HB2       ASN  35 -10.279   6.309  -0.392
  278   2HB   ASN  35          HB1       ASN  35 -11.135   4.792  -0.642
  279   1HD2  ASN  35          HD21      ASN  35 -13.072   4.922   0.206
  280   2HD2  ASN  35          HD22      ASN  35 -13.471   5.605   1.743
  281    H    HIS  36           HN       HIS  36  -8.309   4.632  -1.690
  282    HA   HIS  36           HA       HIS  36  -9.069   2.135  -2.718
  283   1HB   HIS  36          HB2       HIS  36  -7.221   4.289  -3.436
  284   2HB   HIS  36          HB1       HIS  36  -6.598   2.701  -3.876
  285    HD1  HIS  36           HD1      HIS  36  -8.442   1.206  -5.309
  286    HD2  HIS  36           HD2      HIS  36  -8.878   5.338  -5.291
  287    HE1  HIS  36           HE1      HIS  36  -9.902   1.736  -7.285
  288    HE2  HIS  36           HE2      HIS  36 -10.242   4.230  -7.189
  289    H    LEU  37           HN       LEU  37  -6.108   3.218  -1.102
  290    HA   LEU  37           HA       LEU  37  -4.751   0.768  -1.042
  291   1HB   LEU  37          HB2       LEU  37  -3.960   3.127  -0.367
  292   2HB   LEU  37          HB1       LEU  37  -4.655   2.772   1.197
  293    HG   LEU  37           HG       LEU  37  -2.566   2.103   1.669
  294   1HD1  LEU  37          HD11      LEU  37  -3.779   0.027   1.823
  295   2HD1  LEU  37          HD12      LEU  37  -2.144  -0.287   1.245
  296   3HD1  LEU  37          HD13      LEU  37  -3.497  -0.302   0.114
  297   1HD2  LEU  37          HD21      LEU  37  -2.282   1.989  -1.272
  298   2HD2  LEU  37          HD22      LEU  37  -1.151   1.031  -0.317
  299   3HD2  LEU  37          HD23      LEU  37  -1.266   2.772  -0.063
  300    H    GLN  38           HN       GLN  38  -6.430   2.260   1.713
  301    HA   GLN  38           HA       GLN  38  -6.463   0.166   3.454
  302   1HB   GLN  38          HB2       GLN  38  -7.511   2.643   3.491
  303   2HB   GLN  38          HB1       GLN  38  -8.989   1.706   3.310
  304   1HG   GLN  38          HG2       GLN  38  -8.958   1.084   5.436
  305   2HG   GLN  38          HG1       GLN  38  -7.272   0.579   5.338
  306   1HE2  GLN  38          HE21      GLN  38  -9.409   2.759   6.673
  307   2HE2  GLN  38          HE22      GLN  38  -8.275   3.927   7.251
  308    H    ASN  39           HN       ASN  39  -8.775   0.751   0.830
  309    HA   ASN  39           HA       ASN  39 -10.468  -1.442   1.495
  310   1HB   ASN  39          HB2       ASN  39 -10.786   0.651  -0.147
  311   2HB   ASN  39          HB1       ASN  39 -10.285  -0.545  -1.338
  312   1HD2  ASN  39          HD21      ASN  39 -12.885   0.838  -0.020
  313   2HD2  ASN  39          HD22      ASN  39 -14.039  -0.437  -0.184
  314    H    VAL  40           HN       VAL  40  -7.490  -1.145  -0.240
  315    HA   VAL  40           HA       VAL  40  -7.702  -3.664  -1.600
  316    HB   VAL  40           HB       VAL  40  -5.380  -1.789  -1.148
  317   1HG1  VAL  40          HG11      VAL  40  -4.759  -3.519  -3.258
  318   2HG1  VAL  40          HG12      VAL  40  -5.314  -4.553  -1.942
  319   3HG1  VAL  40          HG13      VAL  40  -3.981  -3.429  -1.680
  320   1HG2  VAL  40          HG21      VAL  40  -6.445  -2.426  -3.830
  321   2HG2  VAL  40          HG22      VAL  40  -5.840  -0.901  -3.182
  322   3HG2  VAL  40          HG23      VAL  40  -7.468  -1.450  -2.779
  323    H    ILE  41           HN       ILE  41  -6.238  -2.482   1.394
  324    HA   ILE  41           HA       ILE  41  -4.639  -4.597   2.105
  325    HB   ILE  41           HB       ILE  41  -5.240  -2.383   3.390
  326   1HG1  ILE  41          HG12      ILE  41  -4.221  -3.333   5.425
  327   2HG1  ILE  41          HG11      ILE  41  -4.518  -4.955   4.807
  328   1HG2  ILE  41          HG21      ILE  41  -6.810  -4.267   5.105
  329   2HG2  ILE  41          HG22      ILE  41  -7.600  -3.346   3.827
  330   3HG2  ILE  41          HG23      ILE  41  -6.766  -2.504   5.131
  331   1HD1  ILE  41          HD11      ILE  41  -2.967  -3.103   3.097
  332   2HD1  ILE  41          HD12      ILE  41  -2.814  -4.846   3.316
  333   3HD1  ILE  41          HD13      ILE  41  -2.186  -3.745   4.542
  334    H    GLU  42           HN       GLU  42  -8.141  -4.367   2.272
  335    HA   GLU  42           HA       GLU  42  -8.484  -6.888   3.612
  336   1HB   GLU  42          HB2       GLU  42 -10.520  -5.308   2.025
  337   2HB   GLU  42          HB1       GLU  42 -10.852  -6.550   3.228
  338   1HG   GLU  42          HG2       GLU  42  -9.505  -3.924   3.804
  339   2HG   GLU  42          HG1       GLU  42 -11.224  -4.245   4.035
  340    H    ASP  43           HN       ASP  43  -8.641  -5.701   0.298
  341    HA   ASP  43           HA       ASP  43  -9.520  -8.088  -0.898
  342   1HB   ASP  43          HB2       ASP  43  -7.996  -5.694  -1.882
  343   2HB   ASP  43          HB1       ASP  43  -8.175  -7.101  -2.925
  344    H    ILE  44           HN       ILE  44  -6.429  -7.007   0.269
  345    HA   ILE  44           HA       ILE  44  -4.999  -9.231  -0.924
  346    HB   ILE  44           HB       ILE  44  -3.894  -7.353   1.157
  347   1HG1  ILE  44          HG12      ILE  44  -3.404  -6.816  -1.727
  348   2HG1  ILE  44          HG11      ILE  44  -4.972  -6.342  -1.085
  349   1HG2  ILE  44          HG21      ILE  44  -2.617  -9.387   0.583
  350   2HG2  ILE  44          HG22      ILE  44  -1.765  -7.899   0.169
  351   3HG2  ILE  44          HG23      ILE  44  -2.557  -8.842  -1.093
  352   1HD1  ILE  44          HD11      ILE  44  -2.756  -5.526   0.611
  353   2HD1  ILE  44          HD12      ILE  44  -4.113  -4.589  -0.016
  354   3HD1  ILE  44          HD13      ILE  44  -2.682  -4.845  -1.014
  355    H    HIS  45           HN       HIS  45  -6.095  -8.137   2.252
  356    HA   HIS  45           HA       HIS  45  -4.966 -10.219   3.770
  357   1HB   HIS  45          HB2       HIS  45  -7.286  -8.358   4.220
  358   2HB   HIS  45          HB1       HIS  45  -6.901  -9.623   5.383
  359    HD1  HIS  45           HD1      HIS  45  -6.480  -7.457   6.969
  360    HD2  HIS  45           HD2      HIS  45  -3.733  -8.119   3.923
  361    HE1  HIS  45           HE1      HIS  45  -4.452  -6.105   7.590
  362    HE2  HIS  45           HE2      HIS  45  -2.836  -6.450   5.687
  363    H    ASP  46           HN       ASP  46  -8.126  -9.873   2.199
  364    HA   ASP  46           HA       ASP  46  -9.060 -12.437   3.073
  365   1HB   ASP  46          HB2       ASP  46 -10.044 -10.323   1.204
  366   2HB   ASP  46          HB1       ASP  46 -10.714 -11.945   1.055
  367    H    PHE  47           HN       PHE  47  -6.841 -11.419   0.771
  368    HA   PHE  47           HA       PHE  47  -7.312 -13.562  -1.126
  369   1HB   PHE  47          HB2       PHE  47  -6.247 -12.147  -2.500
  370   2HB   PHE  47          HB1       PHE  47  -5.923 -11.068  -1.150
  371    HD1  PHE  47           HD1      PHE  47  -3.731 -10.513  -0.770
  372    HD2  PHE  47           HD2      PHE  47  -4.598 -14.259  -2.566
  373    HE1  PHE  47           HE1      PHE  47  -1.326 -10.950  -0.987
  374    HE2  PHE  47           HE2      PHE  47  -2.190 -14.711  -2.792
  375    HZ   PHE  47           HZ       PHE  47  -0.550 -13.054  -1.999
  376    H    MET  48           HN       MET  48  -4.959 -12.713   1.359
  377    HA   MET  48           HA       MET  48  -3.016 -14.581   1.025
  378   1HB   MET  48          HB2       MET  48  -3.867 -12.881   3.099
  379   2HB   MET  48          HB1       MET  48  -3.679 -14.473   3.822
  380   1HG   MET  48          HG2       MET  48  -1.623 -13.284   4.044
  381   2HG   MET  48          HG1       MET  48  -1.395 -14.581   2.873
  382   1HE   MET  48          HE1       MET  48  -1.661 -11.150   3.814
  383   2HE   MET  48          HE2       MET  48  -2.201 -10.297   2.368
  384   3HE   MET  48          HE3       MET  48  -0.481 -10.390   2.745
  385    H    GLN  49           HN       GLN  49  -6.283 -15.180   2.095
  386    HA   GLN  49           HA       GLN  49  -5.593 -17.916   2.835
  387   1HB   GLN  49          HB2       GLN  49  -7.684 -16.056   3.576
  388   2HB   GLN  49          HB1       GLN  49  -8.360 -17.606   3.093
  389   1HG   GLN  49          HG2       GLN  49  -6.181 -18.194   4.755
  390   2HG   GLN  49          HG1       GLN  49  -7.052 -16.872   5.531
  391   1HE2  GLN  49          HE21      GLN  49  -7.254 -20.158   4.382
  392   2HE2  GLN  49          HE22      GLN  49  -8.679 -20.588   5.259
  393    H    GLY  50           HN       GLY  50  -5.707 -16.784   0.022
  394   1HA   GLY  50          HA2       GLY  50  -6.110 -17.790  -2.016
  395   2HA   GLY  50          HA1       GLY  50  -6.856 -19.131  -1.158
  396    H    GLY  51           HN       GLY  51  -7.858 -15.780  -0.848
  397   1HA   GLY  51          HA2       GLY  51 -10.502 -16.520  -1.885
  398   2HA   GLY  51          HA1       GLY  51 -10.125 -15.073  -0.950
  399    H    GLY  52           HN       GLY  52  -8.421 -16.379  -3.694
  400   1HA   GLY  52          HA2       GLY  52  -8.916 -15.494  -5.977
  401   2HA   GLY  52          HA1       GLY  52  -8.990 -13.911  -5.208
  402    H    SER  53           HN       SER  53  -6.678 -16.165  -4.019
  403    HA   SER  53           HA       SER  53  -4.492 -14.484  -4.423
  404   1HB   SER  53          HB2       SER  53  -3.179 -16.223  -3.478
  405   2HB   SER  53          HB1       SER  53  -4.766 -16.386  -2.721
  406    HG   SER  53           HG       SER  53  -3.444 -18.225  -4.027
  407    H    GLY  54           HN       GLY  54  -2.483 -15.123  -5.573
  408   1HA   GLY  54          HA2       GLY  54  -1.409 -15.349  -7.591
  409   2HA   GLY  54          HA1       GLY  54  -2.308 -16.853  -7.714
  410    H    GLY  55           HN       GLY  55  -3.266 -13.410  -7.874
  411   1HA   GLY  55          HA2       GLY  55  -3.663 -13.246 -10.608
  412   2HA   GLY  55          HA1       GLY  55  -5.148 -13.915  -9.950
  413    H    LYS  56           HN       LYS  56  -5.002 -12.398  -7.458
  414    HA   LYS  56           HA       LYS  56  -6.073  -9.909  -8.507
  415   1HB   LYS  56          HB2       LYS  56  -6.873  -9.520  -6.210
  416   2HB   LYS  56          HB1       LYS  56  -7.405 -11.063  -6.852
  417   1HG   LYS  56          HG2       LYS  56  -6.802 -11.565  -4.676
  418   2HG   LYS  56          HG1       LYS  56  -5.395 -12.062  -5.612
  419   1HD   LYS  56          HD2       LYS  56  -4.952 -10.779  -3.465
  420   2HD   LYS  56          HD1       LYS  56  -4.140 -10.196  -4.911
  421   1HE   LYS  56          HE2       LYS  56  -5.703  -8.400  -5.142
  422   2HE   LYS  56          HE1       LYS  56  -6.725  -9.058  -3.866
  423   1HZ   LYS  56          HZ1       LYS  56  -4.290  -8.762  -2.681
  424   2HZ   LYS  56          HZ2       LYS  56  -5.607  -7.714  -2.514
  425   3HZ   LYS  56          HZ3       LYS  56  -4.410  -7.391  -3.665
  426    H    LEU  57           HN       LEU  57  -3.241 -11.007  -6.827
  427    HA   LEU  57           HA       LEU  57  -2.498  -8.473  -5.782
  428   1HB   LEU  57          HB2       LEU  57  -1.634 -10.696  -5.006
  429   2HB   LEU  57          HB1       LEU  57  -0.648 -10.746  -6.454
  430    HG   LEU  57           HG       LEU  57   0.390  -8.570  -5.686
  431   1HD1  LEU  57          HD11      LEU  57  -0.407  -9.182  -2.916
  432   2HD1  LEU  57          HD12      LEU  57  -1.642  -8.444  -3.934
  433   3HD1  LEU  57          HD13      LEU  57  -0.095  -7.631  -3.695
  434   1HD2  LEU  57          HD21      LEU  57   0.997 -11.199  -5.092
  435   2HD2  LEU  57          HD22      LEU  57   1.103 -10.380  -3.533
  436   3HD2  LEU  57          HD23      LEU  57   2.063  -9.808  -4.897
  437    H    GLN  58           HN       GLN  58  -2.638  -9.544  -8.960
  438    HA   GLN  58           HA       GLN  58  -0.334  -8.029  -9.839
  439   1HB   GLN  58          HB2       GLN  58  -0.738  -8.873 -12.010
  440   2HB   GLN  58          HB1       GLN  58  -1.107 -10.201 -10.920
  441   1HG   GLN  58          HG2       GLN  58  -3.517  -9.556 -11.098
  442   2HG   GLN  58          HG1       GLN  58  -3.051  -8.419 -12.361
  443   1HE2  GLN  58          HE21      GLN  58  -2.508  -9.172 -14.369
  444   2HE2  GLN  58          HE22      GLN  58  -2.722 -10.816 -14.855
  445    H    GLU  59           HN       GLU  59  -3.860  -7.848 -10.232
  446    HA   GLU  59           HA       GLU  59  -3.639  -5.194 -11.384
  447   1HB   GLU  59          HB2       GLU  59  -6.061  -6.877 -10.712
  448   2HB   GLU  59          HB1       GLU  59  -6.115  -5.320 -11.528
  449   1HG   GLU  59          HG2       GLU  59  -4.315  -6.817 -13.017
  450   2HG   GLU  59          HG1       GLU  59  -5.594  -7.952 -12.594
  451    H    MET  60           HN       MET  60  -4.562  -6.724  -8.372
  452    HA   MET  60           HA       MET  60  -5.628  -4.345  -7.195
  453   1HB   MET  60          HB2       MET  60  -6.152  -6.747  -6.510
  454   2HB   MET  60          HB1       MET  60  -4.598  -6.743  -5.689
  455   1HG   MET  60          HG2       MET  60  -5.875  -6.107  -3.947
  456   2HG   MET  60          HG1       MET  60  -5.606  -4.513  -4.651
  457   1HE   MET  60          HE1       MET  60  -9.128  -7.242  -4.716
  458   2HE   MET  60          HE2       MET  60  -7.509  -7.595  -5.319
  459   3HE   MET  60          HE3       MET  60  -8.735  -6.951  -6.411
  460    H    MET  61           HN       MET  61  -2.459  -5.817  -7.446
  461    HA   MET  61           HA       MET  61  -1.165  -4.528  -5.329
  462   1HB   MET  61          HB2       MET  61   0.197  -6.088  -6.339
  463   2HB   MET  61          HB1       MET  61  -0.289  -5.624  -7.963
  464   1HG   MET  61          HG2       MET  61   1.102  -3.638  -7.831
  465   2HG   MET  61          HG1       MET  61   1.554  -4.048  -6.178
  466   1HE   MET  61          HE1       MET  61   3.557  -7.197  -6.433
  467   2HE   MET  61          HE2       MET  61   2.018  -7.660  -7.157
  468   3HE   MET  61          HE3       MET  61   2.046  -6.583  -5.760
  469    H    LYS  62           HN       LYS  62  -1.565  -3.455  -8.700
  470    HA   LYS  62           HA       LYS  62  -0.274  -0.986  -8.438
  471   1HB   LYS  62          HB2       LYS  62  -2.088  -2.255 -10.371
  472   2HB   LYS  62          HB1       LYS  62  -2.181  -0.499 -10.343
  473   1HG   LYS  62          HG2       LYS  62   0.501  -0.868 -10.370
  474   2HG   LYS  62          HG1       LYS  62  -0.045  -2.264 -11.301
  475   1HD   LYS  62          HD2       LYS  62  -1.383  -0.715 -12.718
  476   2HD   LYS  62          HD1       LYS  62  -0.661   0.638 -11.844
  477   1HE   LYS  62          HE2       LYS  62   0.907  -1.448 -13.354
  478   2HE   LYS  62          HE1       LYS  62   0.445   0.120 -14.015
  479   1HZ   LYS  62          HZ1       LYS  62   2.754  -0.299 -12.809
  480   2HZ   LYS  62          HZ2       LYS  62   1.838   0.136 -11.455
  481   3HZ   LYS  62          HZ3       LYS  62   1.966   1.199 -12.763
  482    H    GLU  63           HN       GLU  63  -3.336  -2.048  -7.289
  483    HA   GLU  63           HA       GLU  63  -4.606   0.497  -7.151
  484   1HB   GLU  63          HB2       GLU  63  -5.516  -2.021  -6.917
  485   2HB   GLU  63          HB1       GLU  63  -5.371  -1.608  -5.214
  486   1HG   GLU  63          HG2       GLU  63  -7.193  -0.353  -5.269
  487   2HG   GLU  63          HG1       GLU  63  -6.644   0.506  -6.706
  488    H    PHE  64           HN       PHE  64  -2.497  -1.324  -5.015
  489    HA   PHE  64           HA       PHE  64  -2.903   0.526  -2.831
  490   1HB   PHE  64          HB2       PHE  64  -1.592  -0.917  -1.521
  491   2HB   PHE  64          HB1       PHE  64  -2.448  -1.997  -2.613
  492    HD1  PHE  64           HD1      PHE  64   0.804  -0.150  -2.434
  493    HD2  PHE  64           HD2      PHE  64  -1.292  -3.666  -3.595
  494    HE1  PHE  64           HE1      PHE  64   2.927  -1.190  -3.113
  495    HE2  PHE  64           HE2      PHE  64   0.826  -4.707  -4.280
  496    HZ   PHE  64           HZ       PHE  64   2.935  -3.468  -4.037
  497    H    GLN  65           HN       GLN  65  -0.768   0.080  -5.495
  498    HA   GLN  65           HA       GLN  65   1.278   1.850  -4.479
  499   1HB   GLN  65          HB2       GLN  65   1.582  -0.133  -6.124
  500   2HB   GLN  65          HB1       GLN  65   1.011   0.993  -7.348
  501   1HG   GLN  65          HG2       GLN  65   3.049   2.251  -5.793
  502   2HG   GLN  65          HG1       GLN  65   3.622   0.679  -6.350
  503   1HE2  GLN  65          HE21      GLN  65   3.252   0.233  -8.691
  504   2HE2  GLN  65          HE22      GLN  65   3.490   1.538  -9.797
  505    H    GLN  66           HN       GLN  66  -1.472   1.975  -6.660
  506    HA   GLN  66           HA       GLN  66  -1.021   4.413  -7.918
  507   1HB   GLN  66          HB2       GLN  66  -3.258   2.629  -7.519
  508   2HB   GLN  66          HB1       GLN  66  -3.785   4.301  -7.411
  509   1HG   GLN  66          HG2       GLN  66  -4.038   3.711  -9.658
  510   2HG   GLN  66          HG1       GLN  66  -2.569   4.684  -9.595
  511   1HE2  GLN  66          HE21      GLN  66  -0.529   3.565  -9.633
  512   2HE2  GLN  66          HE22      GLN  66  -0.401   2.042 -10.438
  513    H    VAL  67           HN       VAL  67  -2.156   3.694  -4.701
  514    HA   VAL  67           HA       VAL  67  -3.190   6.192  -3.968
  515    HB   VAL  67           HB       VAL  67  -1.767   4.117  -2.280
  516   1HG1  VAL  67          HG11      VAL  67  -3.766   5.883  -1.032
  517   2HG1  VAL  67          HG12      VAL  67  -2.231   6.641  -1.451
  518   3HG1  VAL  67          HG13      VAL  67  -2.258   5.237  -0.386
  519   1HG2  VAL  67          HG21      VAL  67  -4.590   4.233  -1.881
  520   2HG2  VAL  67          HG22      VAL  67  -3.602   2.891  -2.457
  521   3HG2  VAL  67          HG23      VAL  67  -4.255   4.061  -3.604
  522    H    LEU  68           HN       LEU  68   0.084   4.923  -4.003
  523    HA   LEU  68           HA       LEU  68   1.259   7.287  -2.828
  524   1HB   LEU  68          HB2       LEU  68   2.187   4.666  -3.824
  525   2HB   LEU  68          HB1       LEU  68   3.339   5.987  -3.928
  526    HG   LEU  68           HG       LEU  68   2.442   6.313  -1.387
  527   1HD1  LEU  68          HD11      LEU  68   2.854   3.590  -0.880
  528   2HD1  LEU  68          HD12      LEU  68   1.641   3.663  -2.158
  529   3HD1  LEU  68          HD13      LEU  68   1.375   4.519  -0.638
  530   1HD2  LEU  68          HD21      LEU  68   4.793   5.324  -2.721
  531   2HD2  LEU  68          HD22      LEU  68   4.558   4.473  -1.194
  532   3HD2  LEU  68          HD23      LEU  68   4.660   6.232  -1.216
  533    H    ASP  69           HN       ASP  69  -0.078   6.634  -5.793
  534    HA   ASP  69           HA       ASP  69   1.802   7.982  -7.492
  535   1HB   ASP  69          HB2       ASP  69  -0.257   6.269  -7.984
  536   2HB   ASP  69          HB1       ASP  69  -1.027   7.811  -8.348
  537    H    GLU  70           HN       GLU  70  -1.474   8.754  -6.287
  538    HA   GLU  70           HA       GLU  70  -1.591  11.425  -7.109
  539   1HB   GLU  70          HB2       GLU  70  -3.320   9.831  -5.832
  540   2HB   GLU  70          HB1       GLU  70  -2.677  10.662  -4.420
  541   1HG   GLU  70          HG2       GLU  70  -4.783  11.606  -5.409
  542   2HG   GLU  70          HG1       GLU  70  -3.466  12.741  -5.149
  543    H    LEU  71           HN       LEU  71  -0.170   9.858  -4.386
  544    HA   LEU  71           HA       LEU  71   0.597  12.167  -2.923
  545   1HB   LEU  71          HB2       LEU  71   0.208  10.231  -1.708
  546   2HB   LEU  71          HB1       LEU  71   1.103   9.233  -2.829
  547    HG   LEU  71           HG       LEU  71   3.042  10.917  -1.797
  548   1HD1  LEU  71          HD11      LEU  71   2.308  10.041   0.726
  549   2HD1  LEU  71          HD12      LEU  71   0.831  10.723   0.053
  550   3HD1  LEU  71          HD13      LEU  71   2.290  11.706   0.147
  551   1HD2  LEU  71          HD21      LEU  71   3.571   8.691  -2.165
  552   2HD2  LEU  71          HD22      LEU  71   2.154   8.113  -1.292
  553   3HD2  LEU  71          HD23      LEU  71   3.517   8.785  -0.404
  554    H    ASN  72           HN       ASN  72   2.708   9.651  -4.306
  555    HA   ASN  72           HA       ASN  72   5.075  11.034  -4.186
  556   1HB   ASN  72          HB2       ASN  72   4.713   8.601  -4.822
  557   2HB   ASN  72          HB1       ASN  72   4.399   9.169  -6.458
  558   1HD2  ASN  72          HD21      ASN  72   6.341   7.517  -6.435
  559   2HD2  ASN  72          HD22      ASN  72   7.896   8.268  -6.482
  560    H    ASN  73           HN       ASN  73   2.484  11.468  -6.454
  561    HA   ASN  73           HA       ASN  73   4.123  13.017  -8.279
  562   1HB   ASN  73          HB2       ASN  73   2.047  11.479  -8.815
  563   2HB   ASN  73          HB1       ASN  73   1.141  12.947  -8.463
  564   1HD2  ASN  73          HD21      ASN  73   1.980  14.928  -9.610
  565   2HD2  ASN  73          HD22      ASN  73   2.432  14.731 -11.265
  566    H    HIS  74           HN       HIS  74   3.093  13.730  -5.330
  567    HA   HIS  74           HA       HIS  74   2.997  16.566  -5.881
  568   1HB   HIS  74          HB2       HIS  74   0.597  15.043  -4.965
  569   2HB   HIS  74          HB1       HIS  74   0.869  16.663  -4.330
  570    HD1  HIS  74           HD1      HIS  74   2.016  17.850  -7.036
  571    HD2  HIS  74           HD2      HIS  74  -1.523  15.718  -6.604
  572    HE1  HIS  74           HE1      HIS  74   0.581  18.529  -8.984
  573    HE2  HIS  74           HE2      HIS  74  -1.521  17.158  -8.750
  574    H    LEU  75           HN       LEU  75   4.817  14.830  -4.484
  575    HA   LEU  75           HA       LEU  75   4.590  14.829  -1.711
  576   1HB   LEU  75          HB2       LEU  75   6.697  14.565  -3.653
  577   2HB   LEU  75          HB1       LEU  75   7.254  15.573  -2.333
  578    HG   LEU  75           HG       LEU  75   7.898  13.415  -1.728
  579   1HD1  LEU  75          HD11      LEU  75   6.490  14.746  -0.029
  580   2HD1  LEU  75          HD12      LEU  75   6.821  13.044   0.298
  581   3HD1  LEU  75          HD13      LEU  75   5.250  13.531  -0.339
  582   1HD2  LEU  75          HD21      LEU  75   6.563  11.449  -1.924
  583   2HD2  LEU  75          HD22      LEU  75   6.510  12.296  -3.469
  584   3HD2  LEU  75          HD23      LEU  75   5.140  12.394  -2.364
  585    H    GLN  76           HN       GLN  76   3.521  16.685  -1.033
  586    HA   GLN  76           HA       GLN  76   4.256  19.295  -1.736
  587   1HB   GLN  76          HB2       GLN  76   2.794  20.018   0.080
  588   2HB   GLN  76          HB1       GLN  76   2.044  18.726  -0.848
  589   1HG   GLN  76          HG2       GLN  76   1.836  17.459   0.953
  590   2HG   GLN  76          HG1       GLN  76   3.544  17.641   1.350
  591   1HE2  GLN  76          HE21      GLN  76   3.707  20.331   1.825
  592   2HE2  GLN  76          HE22      GLN  76   2.769  20.736   3.218
  593    H    GLY  77           HN       GLY  77   6.652  18.838  -1.400
  594   1HA   GLY  77          HA2       GLY  77   8.597  19.283  -0.268
  595   2HA   GLY  77          HA1       GLY  77   7.629  20.368   0.717
  596    H    GLY  78           HN       GLY  78   6.990  16.934   0.544
  597   1HA   GLY  78          HA2       GLY  78   8.244  16.575   3.185
  598   2HA   GLY  78          HA1       GLY  78   6.561  16.130   2.951
  599    H    LYS  79           HN       LYS  79   9.387  15.677   0.857
  600    HA   LYS  79           HA       LYS  79   8.717  13.164  -0.068
  601   1HB   LYS  79          HB2       LYS  79  11.403  14.477   0.294
  602   2HB   LYS  79          HB1       LYS  79  11.219  12.910  -0.481
  603   1HG   LYS  79          HG2       LYS  79  10.672  13.859  -2.405
  604   2HG   LYS  79          HG1       LYS  79   9.389  14.795  -1.635
  605   1HD   LYS  79          HD2       LYS  79  12.310  15.557  -1.660
  606   2HD   LYS  79          HD1       LYS  79  11.085  16.212  -2.749
  607   1HE   LYS  79          HE2       LYS  79   9.822  16.949  -0.695
  608   2HE   LYS  79          HE1       LYS  79  11.252  16.516   0.241
  609   1HZ   LYS  79          HZ1       LYS  79  12.471  18.055  -1.379
  610   2HZ   LYS  79          HZ2       LYS  79  11.517  18.767  -0.177
  611   3HZ   LYS  79          HZ3       LYS  79  10.938  18.660  -1.762
  612    H    HIS  80           HN       HIS  80  10.523  14.042   2.822
  613    HA   HIS  80           HA       HIS  80  11.558  11.619   3.592
  614   1HB   HIS  80          HB2       HIS  80  11.523  14.033   4.730
  615   2HB   HIS  80          HB1       HIS  80  10.290  13.267   5.723
  616    HD1  HIS  80           HD1      HIS  80  11.816  10.415   5.629
  617    HD2  HIS  80           HD2      HIS  80  13.368  14.079   6.826
  618    HE1  HIS  80           HE1      HIS  80  13.746   9.865   7.145
  619    HE2  HIS  80           HE2      HIS  80  14.608  12.097   7.932
  620    H    THR  81           HN       THR  81   8.225  12.681   3.765
  621    HA   THR  81           HA       THR  81   7.312  10.591   5.468
  622    HB   THR  81           HB       THR  81   6.043  12.610   3.677
  623    HG1  THR  81           HG1      THR  81   6.542  12.989   5.915
  624   1HG2  THR  81          HG21      THR  81   3.831  11.505   4.742
  625   2HG2  THR  81          HG22      THR  81   4.767  10.052   4.372
  626   3HG2  THR  81          HG23      THR  81   4.391  11.215   3.091
  627    H    VAL  82           HN       VAL  82   6.424  11.083   2.082
  628    HA   VAL  82           HA       VAL  82   5.624   8.509   1.519
  629    HB   VAL  82           HB       VAL  82   7.065  10.289  -0.451
  630   1HG1  VAL  82          HG11      VAL  82   6.735   8.189  -1.444
  631   2HG1  VAL  82          HG12      VAL  82   5.373   9.156  -2.006
  632   3HG1  VAL  82          HG13      VAL  82   5.148   7.990  -0.705
  633   1HG2  VAL  82          HG21      VAL  82   4.704  11.054  -0.982
  634   2HG2  VAL  82          HG22      VAL  82   5.413  11.664   0.510
  635   3HG2  VAL  82          HG23      VAL  82   4.241  10.352   0.565
  636    H    HIS  83           HN       HIS  83   8.928   9.845   1.424
  637    HA   HIS  83           HA       HIS  83  10.247   7.776   0.162
  638   1HB   HIS  83          HB2       HIS  83  10.982   9.879   2.042
  639   2HB   HIS  83          HB1       HIS  83  11.937   8.423   2.291
  640    HD1  HIS  83           HD1      HIS  83  11.098  10.922  -0.423
  641    HD2  HIS  83           HD2      HIS  83  13.935   8.022   0.468
  642    HE1  HIS  83           HE1      HIS  83  12.880  11.162  -2.182
  643    HE2  HIS  83           HE2      HIS  83  14.549   9.347  -1.666
  644    H    HIS  84           HN       HIS  84   9.150   8.014   3.499
  645    HA   HIS  84           HA       HIS  84  10.185   5.443   4.253
  646   1HB   HIS  84          HB2       HIS  84   9.327   7.663   5.640
  647   2HB   HIS  84          HB1       HIS  84   8.011   6.522   5.899
  648    HD1  HIS  84           HD1      HIS  84   9.549   3.914   6.213
  649    HD2  HIS  84           HD2      HIS  84  10.726   7.498   7.957
  650    HE1  HIS  84           HE1      HIS  84  10.997   3.267   8.165
  651    HE2  HIS  84           HE2      HIS  84  11.635   5.450   9.250
  652    H    ILE  85           HN       ILE  85   7.211   6.679   2.928
  653    HA   ILE  85           HA       ILE  85   5.782   4.225   3.467
  654    HB   ILE  85           HB       ILE  85   3.883   5.346   3.145
  655   1HG1  ILE  85          HG12      ILE  85   4.692   7.092   0.893
  656   2HG1  ILE  85          HG11      ILE  85   4.505   5.372   0.581
  657   1HG2  ILE  85          HG21      ILE  85   4.025   7.832   3.215
  658   2HG2  ILE  85          HG22      ILE  85   5.771   7.639   3.126
  659   3HG2  ILE  85          HG23      ILE  85   4.885   6.958   4.483
  660   1HD1  ILE  85          HD11      ILE  85   2.501   7.141   0.391
  661   2HD1  ILE  85          HD12      ILE  85   2.309   6.641   2.070
  662   3HD1  ILE  85          HD13      ILE  85   2.267   5.440   0.784
  663    H    GLU  86           HN       GLU  86   7.404   5.734   0.762
  664    HA   GLU  86           HA       GLU  86   6.421   3.873  -1.186
  665   1HB   GLU  86          HB2       GLU  86   8.316   4.811  -2.588
  666   2HB   GLU  86          HB1       GLU  86   7.120   5.974  -2.042
  667   1HG   GLU  86          HG2       GLU  86   8.691   7.198  -1.118
  668   2HG   GLU  86          HG1       GLU  86   9.182   5.845  -0.103
  669    H    GLN  87           HN       GLN  87   9.383   4.200   0.740
  670    HA   GLN  87           HA       GLN  87  10.722   1.969  -0.360
  671   1HB   GLN  87          HB2       GLN  87  11.016   3.687   2.019
  672   2HB   GLN  87          HB1       GLN  87  11.621   2.050   2.225
  673   1HG   GLN  87          HG2       GLN  87  13.340   3.653   1.481
  674   2HG   GLN  87          HG1       GLN  87  13.115   2.301   0.373
  675   1HE2  GLN  87          HE21      GLN  87  12.400   2.675  -1.673
  676   2HE2  GLN  87          HE22      GLN  87  12.160   4.254  -2.331
  677    H    ASN  88           HN       ASN  88   8.212   2.370   1.989
  678    HA   ASN  88           HA       ASN  88   8.334  -0.345   2.963
  679   1HB   ASN  88          HB2       ASN  88   6.757   2.098   3.570
  680   2HB   ASN  88          HB1       ASN  88   5.959   0.557   3.872
  681   1HD2  ASN  88          HD21      ASN  88   9.202   1.936   4.324
  682   2HD2  ASN  88          HD22      ASN  88   9.384   1.405   5.958
  683    H    ILE  89           HN       ILE  89   5.911   1.594   1.187
  684    HA   ILE  89           HA       ILE  89   4.279  -0.598   0.536
  685    HB   ILE  89           HB       ILE  89   4.259   2.221  -0.022
  686   1HG1  ILE  89          HG12      ILE  89   1.845   0.778  -0.677
  687   2HG1  ILE  89          HG11      ILE  89   2.567   0.166   0.810
  688   1HG2  ILE  89          HG21      ILE  89   4.792   1.739  -2.318
  689   2HG2  ILE  89          HG22      ILE  89   3.076   2.127  -2.211
  690   3HG2  ILE  89          HG23      ILE  89   3.590   0.450  -2.370
  691   1HD1  ILE  89          HD11      ILE  89   1.567   1.843   1.869
  692   2HD1  ILE  89          HD12      ILE  89   1.097   2.606   0.351
  693   3HD1  ILE  89          HD13      ILE  89   2.679   2.944   1.056
  694    H    LYS  90           HN       LYS  90   6.702   1.117  -1.445
  695    HA   LYS  90           HA       LYS  90   6.380  -0.515  -3.683
  696   1HB   LYS  90          HB2       LYS  90   8.949   0.824  -2.800
  697   2HB   LYS  90          HB1       LYS  90   8.558   0.293  -4.429
  698   1HG   LYS  90          HG2       LYS  90   6.919   2.351  -2.987
  699   2HG   LYS  90          HG1       LYS  90   8.347   2.772  -3.935
  700   1HD   LYS  90          HD2       LYS  90   6.776   1.049  -5.529
  701   2HD   LYS  90          HD1       LYS  90   5.680   2.240  -4.827
  702   1HE   LYS  90          HE2       LYS  90   6.493   3.090  -6.917
  703   2HE   LYS  90          HE1       LYS  90   7.215   4.030  -5.611
  704   1HZ   LYS  90          HZ1       LYS  90   9.273   3.138  -5.981
  705   2HZ   LYS  90          HZ2       LYS  90   8.670   3.147  -7.561
  706   3HZ   LYS  90          HZ3       LYS  90   8.674   1.711  -6.666
  707    H    GLU  91           HN       GLU  91   8.010  -1.017  -0.681
  708    HA   GLU  91           HA       GLU  91   9.359  -3.419  -1.631
  709   1HB   GLU  91          HB2       GLU  91  10.554  -1.939  -0.071
  710   2HB   GLU  91          HB1       GLU  91   9.282  -2.165   1.121
  711   1HG   GLU  91          HG2       GLU  91   9.838  -4.471   1.379
  712   2HG   GLU  91          HG1       GLU  91  10.965  -4.403   0.027
  713    H    ILE  92           HN       ILE  92   6.312  -2.627  -0.703
  714    HA   ILE  92           HA       ILE  92   5.701  -4.855   0.982
  715    HB   ILE  92           HB       ILE  92   4.362  -2.458   0.155
  716   1HG1  ILE  92          HG12      ILE  92   3.077  -2.841   2.178
  717   2HG1  ILE  92          HG11      ILE  92   3.597  -4.523   2.219
  718   1HG2  ILE  92          HG21      ILE  92   2.677  -4.941  -0.074
  719   2HG2  ILE  92          HG22      ILE  92   3.097  -3.846  -1.392
  720   3HG2  ILE  92          HG23      ILE  92   2.078  -3.283  -0.068
  721   1HD1  ILE  92          HD11      ILE  92   5.988  -3.361   2.235
  722   2HD1  ILE  92          HD12      ILE  92   5.066  -3.670   3.707
  723   3HD1  ILE  92          HD13      ILE  92   5.047  -2.065   2.974
  724    H    PHE  93           HN       PHE  93   5.139  -3.921  -2.383
  725    HA   PHE  93           HA       PHE  93   3.695  -6.116  -3.256
  726   1HB   PHE  93          HB2       PHE  93   4.057  -5.292  -5.354
  727   2HB   PHE  93          HB1       PHE  93   4.673  -3.905  -4.458
  728    HD1  PHE  93           HD1      PHE  93   5.355  -5.780  -7.193
  729    HD2  PHE  93           HD2      PHE  93   7.235  -4.483  -3.608
  730    HE1  PHE  93           HE1      PHE  93   7.558  -6.089  -8.240
  731    HE2  PHE  93           HE2      PHE  93   9.434  -4.794  -4.638
  732    HZ   PHE  93           HZ       PHE  93   9.609  -5.589  -6.968
  733    H    HIS  94           HN       HIS  94   7.065  -5.850  -2.429
  734    HA   HIS  94           HA       HIS  94   8.028  -8.130  -3.788
  735   1HB   HIS  94          HB2       HIS  94   9.151  -6.132  -2.231
  736   2HB   HIS  94          HB1       HIS  94   9.362  -7.573  -1.243
  737    HD1  HIS  94           HD1      HIS  94   9.638  -9.280  -4.095
  738    HD2  HIS  94           HD2      HIS  94  11.983  -6.180  -2.625
  739    HE1  HIS  94           HE1      HIS  94  11.862  -9.516  -5.245
  740    HE2  HIS  94           HE2      HIS  94  13.288  -7.674  -4.284
  741    H    HIS  95           HN       HIS  95   7.393  -7.720  -0.310
  742    HA   HIS  95           HA       HIS  95   7.405 -10.471   0.271
  743   1HB   HIS  95          HB2       HIS  95   7.123  -8.078   1.717
  744   2HB   HIS  95          HB1       HIS  95   5.654  -8.991   2.038
  745    HD1  HIS  95           HD1      HIS  95   9.097 -10.488   1.585
  746    HD2  HIS  95           HD2      HIS  95   6.258  -9.882   4.557
  747    HE1  HIS  95           HE1      HIS  95   9.936 -11.760   3.585
  748    HE2  HIS  95           HE2      HIS  95   8.245 -11.307   5.398
  749    H    LEU  96           HN       LEU  96   5.189  -8.595  -1.463
  750    HA   LEU  96           HA       LEU  96   2.870 -10.217  -0.769
  751   1HB   LEU  96          HB2       LEU  96   3.308  -7.877  -2.606
  752   2HB   LEU  96          HB1       LEU  96   1.796  -8.768  -2.581
  753    HG   LEU  96           HG       LEU  96   3.023  -7.182  -0.350
  754   1HD1  LEU  96          HD11      LEU  96   1.868  -5.823  -1.967
  755   2HD1  LEU  96          HD12      LEU  96   0.883  -5.934  -0.508
  756   3HD1  LEU  96          HD13      LEU  96   0.469  -6.898  -1.926
  757   1HD2  LEU  96          HD21      LEU  96   0.610  -8.978  -0.299
  758   2HD2  LEU  96          HD22      LEU  96   1.014  -7.801   0.956
  759   3HD2  LEU  96          HD23      LEU  96   2.094  -9.160   0.638
  760    H    GLU  97           HN       GLU  97   4.397  -9.293  -3.850
  761    HA   GLU  97           HA       GLU  97   3.291 -11.455  -5.287
  762   1HB   GLU  97          HB2       GLU  97   4.226  -9.291  -6.238
  763   2HB   GLU  97          HB1       GLU  97   5.827  -9.978  -5.998
  764   1HG   GLU  97          HG2       GLU  97   5.434 -11.691  -7.571
  765   2HG   GLU  97          HG1       GLU  97   3.706 -11.348  -7.622
  766    H    GLU  98           HN       GLU  98   5.805 -11.299  -3.013
  767    HA   GLU  98           HA       GLU  98   7.306 -13.538  -4.087
  768   1HB   GLU  98          HB2       GLU  98   8.447 -11.756  -2.824
  769   2HB   GLU  98          HB1       GLU  98   7.506 -12.170  -1.397
  770   1HG   GLU  98          HG2       GLU  98   8.554 -14.554  -1.846
  771   2HG   GLU  98          HG1       GLU  98   9.789 -13.585  -2.650
  772    H    LEU  99           HN       LEU  99   4.667 -13.004  -1.921
  773    HA   LEU  99           HA       LEU  99   4.843 -15.455  -0.486
  774   1HB   LEU  99          HB2       LEU  99   3.576 -13.434   0.264
  775   2HB   LEU  99          HB1       LEU  99   2.396 -13.761  -0.990
  776    HG   LEU  99           HG       LEU  99   1.960 -15.977   0.091
  777   1HD1  LEU  99          HD11      LEU  99   2.728 -15.692   2.669
  778   2HD1  LEU  99          HD12      LEU  99   4.113 -14.996   1.829
  779   3HD1  LEU  99          HD13      LEU  99   3.603 -16.644   1.468
  780   1HD2  LEU  99          HD21      LEU  99   1.343 -13.328   1.225
  781   2HD2  LEU  99          HD22      LEU  99   1.018 -14.710   2.271
  782   3HD2  LEU  99          HD23      LEU  99   0.264 -14.613   0.680
  783    H    VAL 100           HN       VAL 100   2.518 -14.406  -2.989
  784    HA   VAL 100           HA       VAL 100   1.498 -17.006  -3.434
  785    HB   VAL 100           HB       VAL 100   1.454 -14.713  -5.396
  786   1HG1  VAL 100          HG11      VAL 100   0.186 -16.021  -6.665
  787   2HG1  VAL 100          HG12      VAL 100  -0.916 -16.321  -5.321
  788   3HG1  VAL 100          HG13      VAL 100   0.495 -17.354  -5.553
  789   1HG2  VAL 100          HG21      VAL 100   0.595 -13.790  -3.416
  790   2HG2  VAL 100          HG22      VAL 100  -0.251 -15.278  -2.988
  791   3HG2  VAL 100          HG23      VAL 100  -0.826 -14.292  -4.334
  792    H    HIS 101           HN       HIS 101   4.180 -15.237  -4.808
  793    HA   HIS 101           HA       HIS 101   4.650 -17.374  -6.759
  794   1HB   HIS 101          HB2       HIS 101   4.800 -14.671  -7.065
  795   2HB   HIS 101          HB1       HIS 101   6.480 -15.062  -6.721
  796    HD1  HIS 101           HD1      HIS 101   6.559 -17.800  -8.238
  797    HD2  HIS 101           HD2      HIS 101   5.029 -14.252  -9.766
  798    HE1  HIS 101           HE1      HIS 101   6.671 -18.042 -10.739
  799    HE2  HIS 101           HE2      HIS 101   5.665 -15.915 -11.642
  800    H    ARG 102           HN       ARG 102   5.097 -17.800  -3.933
  801    HA   ARG 102           HA       ARG 102   7.989 -17.779  -3.617
  802   1HB   ARG 102          HB2       ARG 102   5.983 -17.466  -1.819
  803   2HB   ARG 102          HB1       ARG 102   6.322 -19.179  -1.619
  804   1HG   ARG 102          HG2       ARG 102   8.768 -17.664  -1.688
  805   2HG   ARG 102          HG1       ARG 102   7.672 -17.033  -0.458
  806   1HD   ARG 102          HD2       ARG 102   7.449 -19.254   0.509
  807   2HD   ARG 102          HD1       ARG 102   8.488 -19.923  -0.749
  808    HE   ARG 102           HE       ARG 102   9.312 -18.509   1.607
  809   1HH1  ARG 102          HH11      ARG 102  10.192 -19.343  -1.665
  810   2HH1  ARG 102          HH12      ARG 102  11.891 -19.156  -1.389
  811   1HH2  ARG 102          HH21      ARG 102  11.546 -18.266   1.974
  812   2HH2  ARG 102          HH22      ARG 102  12.660 -18.547   0.678
  Start of MODEL    2
    1   1H    MET   1           HT1      MET   1   0.937 -22.144   5.707
    2   2H    MET   1           HT2      MET   1   2.098 -20.996   6.234
    3   3H    MET   1           HT3      MET   1   1.839 -21.247   4.557
    4    HA   MET   1           HA       MET   1  -0.482 -20.522   4.916
    5   1HB   MET   1          HB2       MET   1   0.185 -20.808   7.541
    6   2HB   MET   1          HB1       MET   1   0.396 -19.074   7.336
    7   1HG   MET   1          HG2       MET   1  -1.900 -18.931   6.456
    8   2HG   MET   1          HG1       MET   1  -2.099 -20.655   6.763
    9   1HE   MET   1          HE1       MET   1  -0.751 -20.733  10.214
   10   2HE   MET   1          HE2       MET   1  -1.400 -21.666   8.866
   11   3HE   MET   1          HE3       MET   1  -2.436 -21.249  10.231
   12    H    TYR   2           HN       TYR   2  -0.296 -19.097   3.308
   13    HA   TYR   2           HA       TYR   2   1.772 -17.031   3.436
   14   1HB   TYR   2          HB2       TYR   2  -0.022 -17.952   1.184
   15   2HB   TYR   2          HB1       TYR   2   1.101 -16.604   1.050
   16    HD1  TYR   2           HD1      TYR   2   0.785 -20.244   1.294
   17    HD2  TYR   2           HD2      TYR   2   3.499 -16.985   0.951
   18    HE1  TYR   2           HE1      TYR   2   2.578 -21.809   0.678
   19    HE2  TYR   2           HE2      TYR   2   5.298 -18.541   0.332
   20    HH   TYR   2           HH       TYR   2   5.613 -20.741  -0.544
   21    H    GLY   3           HN       GLY   3  -0.333 -16.722   5.246
   22   1HA   GLY   3          HA2       GLY   3  -1.802 -14.443   4.071
   23   2HA   GLY   3          HA1       GLY   3  -2.474 -15.484   5.316
   24    H    LYS   4           HN       LYS   4   0.242 -15.510   6.666
   25    HA   LYS   4           HA       LYS   4  -0.271 -13.408   8.476
   26   1HB   LYS   4          HB2       LYS   4   0.961 -15.540   9.005
   27   2HB   LYS   4          HB1       LYS   4   2.342 -14.887   8.132
   28   1HG   LYS   4          HG2       LYS   4   2.796 -14.455  10.379
   29   2HG   LYS   4          HG1       LYS   4   2.219 -12.915   9.739
   30   1HD   LYS   4          HD2       LYS   4  -0.093 -13.668  10.568
   31   2HD   LYS   4          HD1       LYS   4   0.790 -14.871  11.511
   32   1HE   LYS   4          HE2       LYS   4   1.476 -11.950  11.622
   33   2HE   LYS   4          HE1       LYS   4   0.223 -12.649  12.647
   34   1HZ   LYS   4          HZ1       LYS   4   1.857 -14.164  13.564
   35   2HZ   LYS   4          HZ2       LYS   4   2.365 -12.564  13.770
   36   3HZ   LYS   4          HZ3       LYS   4   3.061 -13.523  12.563
   37    H    LEU   5           HN       LEU   5   1.276 -13.379   5.449
   38    HA   LEU   5           HA       LEU   5   3.195 -11.392   5.799
   39   1HB   LEU   5          HB2       LEU   5   2.050 -12.708   3.629
   40   2HB   LEU   5          HB1       LEU   5   1.645 -11.024   3.359
   41    HG   LEU   5           HG       LEU   5   3.689 -11.476   2.208
   42   1HD1  LEU   5          HD11      LEU   5   4.031  -9.361   2.900
   43   2HD1  LEU   5          HD12      LEU   5   5.310 -10.114   3.853
   44   3HD1  LEU   5          HD13      LEU   5   3.755  -9.755   4.595
   45   1HD2  LEU   5          HD21      LEU   5   5.299 -12.147   4.568
   46   2HD2  LEU   5          HD22      LEU   5   5.345 -12.807   2.933
   47   3HD2  LEU   5          HD23      LEU   5   4.141 -13.388   4.083
   48    H    ASN   6           HN       ASN   6  -0.236 -11.299   6.012
   49    HA   ASN   6           HA       ASN   6  -0.822  -8.671   5.440
   50   1HB   ASN   6          HB2       ASN   6  -2.679  -8.929   7.120
   51   2HB   ASN   6          HB1       ASN   6  -2.627 -10.145   5.848
   52   1HD2  ASN   6          HD21      ASN   6  -4.056 -10.860   7.894
   53   2HD2  ASN   6          HD22      ASN   6  -3.237 -11.978   8.925
   54    H    ASP   7           HN       ASP   7   0.323 -10.089   8.475
   55    HA   ASP   7           HA       ASP   7   0.225  -7.878  10.126
   56   1HB   ASP   7          HB2       ASP   7   1.179 -10.387  10.420
   57   2HB   ASP   7          HB1       ASP   7   2.700  -9.510  10.289
   58    H    LEU   8           HN       LEU   8   2.446  -8.675   7.561
   59    HA   LEU   8           HA       LEU   8   4.143  -6.374   8.097
   60   1HB   LEU   8          HB2       LEU   8   5.273  -8.360   7.371
   61   2HB   LEU   8          HB1       LEU   8   4.205  -8.533   5.994
   62    HG   LEU   8           HG       LEU   8   6.577  -7.680   5.561
   63   1HD1  LEU   8          HD11      LEU   8   5.689  -7.147   3.608
   64   2HD1  LEU   8          HD12      LEU   8   5.084  -5.630   4.273
   65   3HD1  LEU   8          HD13      LEU   8   4.092  -7.086   4.352
   66   1HD2  LEU   8          HD21      LEU   8   7.268  -5.687   6.314
   67   2HD2  LEU   8          HD22      LEU   8   5.987  -5.871   7.512
   68   3HD2  LEU   8          HD23      LEU   8   5.696  -4.931   6.049
   69    H    LEU   9           HN       LEU   9   1.545  -7.363   5.974
   70    HA   LEU   9           HA       LEU   9   1.839  -5.306   4.048
   71   1HB   LEU   9          HB2       LEU   9   0.190  -7.490   4.370
   72   2HB   LEU   9          HB1       LEU   9  -0.909  -6.143   4.589
   73    HG   LEU   9           HG       LEU   9   0.794  -6.721   2.170
   74   1HD1  LEU   9          HD11      LEU   9  -2.065  -6.319   1.827
   75   2HD1  LEU   9          HD12      LEU   9  -1.685  -7.685   2.876
   76   3HD1  LEU   9          HD13      LEU   9  -1.022  -7.615   1.245
   77   1HD2  LEU   9          HD21      LEU   9   0.612  -4.613   1.494
   78   2HD2  LEU   9          HD22      LEU   9   0.039  -4.206   3.110
   79   3HD2  LEU   9          HD23      LEU   9  -1.117  -4.590   1.838
   80    H    GLU  10           HN       GLU  10   0.168  -5.572   7.131
   81    HA   GLU  10           HA       GLU  10  -1.414  -3.323   7.139
   82   1HB   GLU  10          HB2       GLU  10  -0.523  -5.186   9.033
   83   2HB   GLU  10          HB1       GLU  10  -0.094  -3.616   9.696
   84   1HG   GLU  10          HG2       GLU  10  -2.350  -2.879   9.627
   85   2HG   GLU  10          HG1       GLU  10  -2.844  -4.286   8.686
   86    H    ASP  11           HN       ASP  11   2.058  -3.544   7.808
   87    HA   ASP  11           HA       ASP  11   2.611  -1.046   8.788
   88   1HB   ASP  11          HB2       ASP  11   4.104  -3.001   7.136
   89   2HB   ASP  11          HB1       ASP  11   4.734  -1.356   7.140
   90    H    LEU  12           HN       LEU  12   2.092  -1.973   5.428
   91    HA   LEU  12           HA       LEU  12   2.686   0.450   4.195
   92   1HB   LEU  12          HB2       LEU  12   2.323  -0.936   2.480
   93   2HB   LEU  12          HB1       LEU  12   1.410  -2.040   3.483
   94    HG   LEU  12           HG       LEU  12  -0.062   0.371   2.595
   95   1HD1  LEU  12          HD11      LEU  12  -0.311  -1.424   0.458
   96   2HD1  LEU  12          HD12      LEU  12   1.417  -1.175   0.700
   97   3HD1  LEU  12          HD13      LEU  12   0.355   0.208   0.436
   98   1HD2  LEU  12          HD21      LEU  12  -1.437  -1.952   1.942
   99   2HD2  LEU  12          HD22      LEU  12  -1.664  -0.961   3.380
  100   3HD2  LEU  12          HD23      LEU  12  -0.579  -2.348   3.430
  101    H    GLN  13           HN       GLN  13  -0.546  -0.795   5.032
  102    HA   GLN  13           HA       GLN  13  -2.000   1.465   4.456
  103   1HB   GLN  13          HB2       GLN  13  -2.956  -0.746   5.086
  104   2HB   GLN  13          HB1       GLN  13  -2.530  -0.424   6.761
  105   1HG   GLN  13          HG2       GLN  13  -4.087   1.720   5.573
  106   2HG   GLN  13          HG1       GLN  13  -4.922   0.168   5.540
  107   1HE2  GLN  13          HE21      GLN  13  -6.221  -0.057   7.200
  108   2HE2  GLN  13          HE22      GLN  13  -5.925   0.484   8.814
  109    H    GLU  14           HN       GLU  14  -0.183   0.722   7.389
  110    HA   GLU  14           HA       GLU  14  -1.074   3.057   8.802
  111   1HB   GLU  14          HB2       GLU  14   0.721   0.792   9.311
  112   2HB   GLU  14          HB1       GLU  14   1.284   2.303  10.012
  113   1HG   GLU  14          HG2       GLU  14  -1.551   1.777  10.468
  114   2HG   GLU  14          HG1       GLU  14  -0.473   0.573  11.172
  115    H    VAL  15           HN       VAL  15   1.530   2.230   6.649
  116    HA   VAL  15           HA       VAL  15   3.162   4.473   7.180
  117    HB   VAL  15           HB       VAL  15   3.586   2.254   5.768
  118   1HG1  VAL  15          HG11      VAL  15   3.921   3.401   3.327
  119   2HG1  VAL  15          HG12      VAL  15   2.365   4.068   3.810
  120   3HG1  VAL  15          HG13      VAL  15   2.599   2.325   3.758
  121   1HG2  VAL  15          HG21      VAL  15   5.202   3.952   6.583
  122   2HG2  VAL  15          HG22      VAL  15   4.956   4.839   5.076
  123   3HG2  VAL  15          HG23      VAL  15   5.632   3.204   5.046
  124    H    LEU  16           HN       LEU  16   0.304   3.961   5.270
  125    HA   LEU  16           HA       LEU  16   0.448   6.265   3.655
  126   1HB   LEU  16          HB2       LEU  16  -1.778   4.491   4.583
  127   2HB   LEU  16          HB1       LEU  16  -2.153   5.984   3.743
  128    HG   LEU  16           HG       LEU  16  -2.183   4.272   2.108
  129   1HD1  LEU  16          HD11      LEU  16  -0.939   6.387   1.556
  130   2HD1  LEU  16          HD12      LEU  16  -0.558   4.991   0.549
  131   3HD1  LEU  16          HD13      LEU  16   0.551   5.487   1.827
  132   1HD2  LEU  16          HD21      LEU  16   0.562   3.426   3.004
  133   2HD2  LEU  16          HD22      LEU  16  -0.454   2.655   1.785
  134   3HD2  LEU  16          HD23      LEU  16  -0.931   2.622   3.481
  135    H    LYS  17           HN       LYS  17  -0.458   5.738   6.976
  136    HA   LYS  17           HA       LYS  17  -2.014   7.931   7.572
  137   1HB   LYS  17          HB2       LYS  17  -1.489   6.249   9.244
  138   2HB   LYS  17          HB1       LYS  17   0.208   6.711   9.220
  139   1HG   LYS  17          HG2       LYS  17  -1.360   9.023   9.780
  140   2HG   LYS  17          HG1       LYS  17  -1.862   7.717  10.856
  141   1HD   LYS  17          HD2       LYS  17   0.012   7.883  12.057
  142   2HD   LYS  17          HD1       LYS  17   1.021   7.840  10.612
  143   1HE   LYS  17          HE2       LYS  17   0.838  10.186  10.308
  144   2HE   LYS  17          HE1       LYS  17  -0.447  10.309  11.509
  145   1HZ   LYS  17          HZ1       LYS  17   1.250  10.919  12.827
  146   2HZ   LYS  17          HZ2       LYS  17   2.427  10.162  11.877
  147   3HZ   LYS  17          HZ3       LYS  17   1.511   9.254  12.972
  148    H    ASN  18           HN       ASN  18   1.473   7.739   7.181
  149    HA   ASN  18           HA       ASN  18   1.962  10.484   7.851
  150   1HB   ASN  18          HB2       ASN  18   3.573   8.276   6.601
  151   2HB   ASN  18          HB1       ASN  18   4.173   9.931   6.547
  152   1HD2  ASN  18          HD21      ASN  18   3.620  10.988   8.894
  153   2HD2  ASN  18          HD22      ASN  18   4.345  10.101  10.187
  154    H    LEU  19           HN       LEU  19   1.679   8.641   4.866
  155    HA   LEU  19           HA       LEU  19   2.273  10.438   2.927
  156   1HB   LEU  19          HB2       LEU  19   1.699   8.515   1.926
  157   2HB   LEU  19          HB1       LEU  19   0.567   8.094   3.189
  158    HG   LEU  19           HG       LEU  19  -0.386  10.192   1.359
  159   1HD1  LEU  19          HD11      LEU  19  -0.427   9.061  -0.580
  160   2HD1  LEU  19          HD12      LEU  19  -0.622   7.501   0.207
  161   3HD1  LEU  19          HD13      LEU  19   0.974   8.234   0.094
  162   1HD2  LEU  19          HD21      LEU  19  -2.258   8.314   1.401
  163   2HD2  LEU  19          HD22      LEU  19  -2.060   9.487   2.705
  164   3HD2  LEU  19          HD23      LEU  19  -1.396   7.862   2.869
  165    H    HIS  20           HN       HIS  20  -0.887  10.142   4.522
  166    HA   HIS  20           HA       HIS  20  -2.376  11.974   3.172
  167   1HB   HIS  20          HB2       HIS  20  -2.331  11.653   6.180
  168   2HB   HIS  20          HB1       HIS  20  -3.662  12.302   5.226
  169    HD1  HIS  20           HD1      HIS  20  -2.397   9.268   6.670
  170    HD2  HIS  20           HD2      HIS  20  -4.826  10.242   3.470
  171    HE1  HIS  20           HE1      HIS  20  -3.617   7.145   6.096
  172    HE2  HIS  20           HE2      HIS  20  -5.163   7.789   4.213
  173    H    LYS  21           HN       LYS  21   0.036  12.682   5.651
  174    HA   LYS  21           HA       LYS  21  -0.542  15.526   5.488
  175   1HB   LYS  21          HB2       LYS  21   1.676  14.293   7.088
  176   2HB   LYS  21          HB1       LYS  21   0.792  15.784   7.397
  177   1HG   LYS  21          HG2       LYS  21  -0.435  13.044   7.523
  178   2HG   LYS  21          HG1       LYS  21   0.226  13.899   8.918
  179   1HD   LYS  21          HD2       LYS  21  -2.034  14.430   9.031
  180   2HD   LYS  21          HD1       LYS  21  -1.353  15.822   8.189
  181   1HE   LYS  21          HE2       LYS  21  -2.315  15.251   6.180
  182   2HE   LYS  21          HE1       LYS  21  -2.328  13.532   6.562
  183   1HZ   LYS  21          HZ1       LYS  21  -4.528  14.864   6.549
  184   2HZ   LYS  21          HZ2       LYS  21  -4.043  15.362   8.091
  185   3HZ   LYS  21          HZ3       LYS  21  -4.258  13.716   7.764
  186    H    ASN  22           HN       ASN  22   1.134  13.646   3.465
  187    HA   ASN  22           HA       ASN  22   2.908  15.854   2.784
  188   1HB   ASN  22          HB2       ASN  22   3.958  13.041   3.085
  189   2HB   ASN  22          HB1       ASN  22   4.881  14.456   2.592
  190   1HD2  ASN  22          HD21      ASN  22   2.929  13.184   5.252
  191   2HD2  ASN  22          HD22      ASN  22   3.823  13.960   6.510
  192    H    TRP  23           HN       TRP  23   0.544  14.017   1.701
  193    HA   TRP  23           HA       TRP  23   1.723  13.142  -0.783
  194   1HB   TRP  23          HB2       TRP  23  -0.146  11.914  -1.082
  195   2HB   TRP  23          HB1       TRP  23  -0.399  12.235   0.625
  196    HD1  TRP  23           HD1      TRP  23  -2.663  13.215   1.205
  197    HE1  TRP  23           HE1      TRP  23  -4.576  14.345  -0.061
  198    HE3  TRP  23           HE3      TRP  23  -0.459  13.497  -3.343
  199    HZ2  TRP  23           HZ2      TRP  23  -5.085  15.226  -2.729
  200    HZ3  TRP  23           HZ3      TRP  23  -1.696  14.456  -5.205
  201    HH2  TRP  23           HH2      TRP  23  -3.971  15.317  -4.919
  202    H    HIS  24           HN       HIS  24  -0.208  15.837   0.355
  203    HA   HIS  24           HA       HIS  24   0.635  17.565  -1.671
  204   1HB   HIS  24          HB2       HIS  24  -0.729  16.214  -3.173
  205   2HB   HIS  24          HB1       HIS  24  -2.126  16.415  -2.123
  206    HD1  HIS  24           HD1      HIS  24   0.231  18.645  -4.117
  207    HD2  HIS  24           HD2      HIS  24  -3.734  18.445  -2.894
  208    HE1  HIS  24           HE1      HIS  24  -0.902  20.617  -5.189
  209    HE2  HIS  24           HE2      HIS  24  -3.278  20.532  -4.350
  210    H    GLY  25           HN       GLY  25  -2.281  16.807   0.215
  211   1HA   GLY  25          HA2       GLY  25  -2.056  19.472   1.458
  212   2HA   GLY  25          HA1       GLY  25  -3.604  18.914   0.835
  213    H    GLY  26           HN       GLY  26  -4.767  17.357   1.961
  214   1HA   GLY  26          HA2       GLY  26  -3.625  16.528   4.539
  215   2HA   GLY  26          HA1       GLY  26  -5.262  17.165   4.421
  216    H    LYS  27           HN       LYS  27  -6.222  15.310   5.155
  217    HA   LYS  27           HA       LYS  27  -5.811  12.848   3.648
  218   1HB   LYS  27          HB2       LYS  27  -5.863  12.828   6.152
  219   2HB   LYS  27          HB1       LYS  27  -7.568  13.255   6.066
  220   1HG   LYS  27          HG2       LYS  27  -7.519  11.113   4.428
  221   2HG   LYS  27          HG1       LYS  27  -6.230  10.690   5.556
  222   1HD   LYS  27          HD2       LYS  27  -8.665  11.744   6.814
  223   2HD   LYS  27          HD1       LYS  27  -8.876  10.208   5.973
  224   1HE   LYS  27          HE2       LYS  27  -6.985   9.276   7.241
  225   2HE   LYS  27          HE1       LYS  27  -6.827  10.805   8.105
  226   1HZ   LYS  27          HZ1       LYS  27  -8.263   8.748   8.989
  227   2HZ   LYS  27          HZ2       LYS  27  -9.465   9.598   8.158
  228   3HZ   LYS  27          HZ3       LYS  27  -8.595  10.357   9.394
  229    H    ASP  28           HN       ASP  28  -7.952  15.492   3.742
  230    HA   ASP  28           HA       ASP  28 -10.397  14.347   3.091
  231   1HB   ASP  28          HB2       ASP  28  -9.652  16.859   3.488
  232   2HB   ASP  28          HB1       ASP  28  -9.583  16.878   1.729
  233    H    ASN  29           HN       ASN  29  -7.859  15.498   0.877
  234    HA   ASN  29           HA       ASN  29  -9.214  14.354  -1.405
  235   1HB   ASN  29          HB2       ASN  29  -6.392  15.413  -1.385
  236   2HB   ASN  29          HB1       ASN  29  -7.525  15.353  -2.731
  237   1HD2  ASN  29          HD21      ASN  29  -9.778  16.359  -1.326
  238   2HD2  ASN  29          HD22      ASN  29  -9.492  18.032  -1.010
  239    H    LEU  30           HN       LEU  30  -6.665  13.470   0.795
  240    HA   LEU  30           HA       LEU  30  -5.551  11.389  -0.808
  241   1HB   LEU  30          HB2       LEU  30  -4.501  12.562   1.212
  242   2HB   LEU  30          HB1       LEU  30  -5.517  11.544   2.199
  243    HG   LEU  30           HG       LEU  30  -3.268  10.650   2.077
  244   1HD1  LEU  30          HD11      LEU  30  -5.577   9.246   1.731
  245   2HD1  LEU  30          HD12      LEU  30  -4.007   8.556   2.100
  246   3HD1  LEU  30          HD13      LEU  30  -4.560   8.632   0.432
  247   1HD2  LEU  30          HD21      LEU  30  -2.131  11.042   0.185
  248   2HD2  LEU  30          HD22      LEU  30  -3.595  11.121  -0.796
  249   3HD2  LEU  30          HD23      LEU  30  -2.884   9.555  -0.391
  250    H    HIS  31           HN       HIS  31  -8.196  11.681   1.456
  251    HA   HIS  31           HA       HIS  31  -8.747   9.128   2.212
  252   1HB   HIS  31          HB2       HIS  31 -10.232  11.567   1.936
  253   2HB   HIS  31          HB1       HIS  31 -11.241  10.220   1.420
  254    HD1  HIS  31           HD1      HIS  31 -11.347  12.039   4.145
  255    HD2  HIS  31           HD2      HIS  31 -10.191   8.068   3.734
  256    HE1  HIS  31           HE1      HIS  31 -11.669  11.006   6.415
  257    HE2  HIS  31           HE2      HIS  31 -11.049   8.582   6.119
  258    H    ASP  32           HN       ASP  32  -9.915  10.622  -0.817
  259    HA   ASP  32           HA       ASP  32 -11.084   8.285  -1.841
  260   1HB   ASP  32          HB2       ASP  32 -10.640  10.965  -2.725
  261   2HB   ASP  32          HB1       ASP  32 -10.141   9.871  -4.012
  262    H    VAL  33           HN       VAL  33  -7.808   9.215  -1.577
  263    HA   VAL  33           HA       VAL  33  -6.909   7.370  -3.634
  264    HB   VAL  33           HB       VAL  33  -5.724   9.593  -2.137
  265   1HG1  VAL  33          HG11      VAL  33  -3.398   8.802  -2.453
  266   2HG1  VAL  33          HG12      VAL  33  -4.035   7.199  -2.820
  267   3HG1  VAL  33          HG13      VAL  33  -4.277   7.896  -1.222
  268   1HG2  VAL  33          HG21      VAL  33  -6.283   9.662  -4.508
  269   2HG2  VAL  33          HG22      VAL  33  -5.132   8.358  -4.808
  270   3HG2  VAL  33          HG23      VAL  33  -4.559   9.929  -4.235
  271    H    ASP  34           HN       ASP  34  -6.195   7.827  -0.142
  272    HA   ASP  34           HA       ASP  34  -5.038   5.270   0.130
  273   1HB   ASP  34          HB2       ASP  34  -4.410   6.673   1.862
  274   2HB   ASP  34          HB1       ASP  34  -6.038   7.320   2.070
  275    H    ASN  35           HN       ASN  35  -8.343   6.369   0.067
  276    HA   ASN  35           HA       ASN  35  -9.611   4.262   1.405
  277   1HB   ASN  35          HB2       ASN  35 -10.920   6.153   0.634
  278   2HB   ASN  35          HB1       ASN  35 -10.493   5.824  -1.042
  279   1HD2  ASN  35          HD21      ASN  35 -12.915   5.623   1.089
  280   2HD2  ASN  35          HD22      ASN  35 -13.792   4.280   0.442
  281    H    HIS  36           HN       HIS  36  -8.243   4.568  -1.794
  282    HA   HIS  36           HA       HIS  36  -9.059   2.045  -2.809
  283   1HB   HIS  36          HB2       HIS  36  -7.419   4.273  -3.665
  284   2HB   HIS  36          HB1       HIS  36  -6.585   2.755  -3.983
  285    HD1  HIS  36           HD1      HIS  36  -9.335   1.190  -4.596
  286    HD2  HIS  36           HD2      HIS  36  -8.001   4.712  -6.352
  287    HE1  HIS  36           HE1      HIS  36 -10.512   1.323  -6.814
  288    HE2  HIS  36           HE2      HIS  36  -9.758   3.507  -7.818
  289    H    LEU  37           HN       LEU  37  -6.102   3.292  -1.305
  290    HA   LEU  37           HA       LEU  37  -4.580   0.969  -1.221
  291   1HB   LEU  37          HB2       LEU  37  -4.009   3.376  -0.475
  292   2HB   LEU  37          HB1       LEU  37  -4.667   2.906   1.073
  293    HG   LEU  37           HG       LEU  37  -2.521   2.415   1.521
  294   1HD1  LEU  37          HD11      LEU  37  -3.564   0.240   1.612
  295   2HD1  LEU  37          HD12      LEU  37  -1.901   0.086   1.043
  296   3HD1  LEU  37          HD13      LEU  37  -3.238  -0.017  -0.102
  297   1HD2  LEU  37          HD21      LEU  37  -2.235   2.361  -1.431
  298   2HD2  LEU  37          HD22      LEU  37  -1.004   1.546  -0.464
  299   3HD2  LEU  37          HD23      LEU  37  -1.323   3.264  -0.220
  300    H    GLN  38           HN       GLN  38  -6.378   2.249   1.572
  301    HA   GLN  38           HA       GLN  38  -6.242   0.099   3.240
  302   1HB   GLN  38          HB2       GLN  38  -7.395   2.447   3.493
  303   2HB   GLN  38          HB1       GLN  38  -8.846   1.560   3.047
  304   1HG   GLN  38          HG2       GLN  38  -8.562   0.076   4.932
  305   2HG   GLN  38          HG1       GLN  38  -7.041   0.862   5.354
  306   1HE2  GLN  38          HE21      GLN  38  -7.519   1.709   7.289
  307   2HE2  GLN  38          HE22      GLN  38  -8.782   2.852   7.581
  308    H    ASN  39           HN       ASN  39  -8.614   0.612   0.662
  309    HA   ASN  39           HA       ASN  39 -10.174  -1.680   1.190
  310   1HB   ASN  39          HB2       ASN  39 -10.878   0.228  -0.265
  311   2HB   ASN  39          HB1       ASN  39  -9.745  -0.338  -1.489
  312   1HD2  ASN  39          HD21      ASN  39 -11.601  -0.499  -2.867
  313   2HD2  ASN  39          HD22      ASN  39 -12.623  -1.889  -2.779
  314    H    VAL  40           HN       VAL  40  -7.104  -1.260  -0.340
  315    HA   VAL  40           HA       VAL  40  -7.094  -3.666  -1.860
  316    HB   VAL  40           HB       VAL  40  -4.732  -2.115  -0.783
  317   1HG1  VAL  40          HG11      VAL  40  -4.867  -4.583  -2.154
  318   2HG1  VAL  40          HG12      VAL  40  -3.438  -3.641  -1.731
  319   3HG1  VAL  40          HG13      VAL  40  -4.235  -3.384  -3.283
  320   1HG2  VAL  40          HG21      VAL  40  -4.978  -1.572  -3.481
  321   2HG2  VAL  40          HG22      VAL  40  -5.405  -0.494  -2.155
  322   3HG2  VAL  40          HG23      VAL  40  -6.638  -1.518  -2.888
  323    H    ILE  41           HN       ILE  41  -5.509  -2.787   1.212
  324    HA   ILE  41           HA       ILE  41  -4.346  -5.142   1.894
  325    HB   ILE  41           HB       ILE  41  -4.572  -2.856   3.190
  326   1HG1  ILE  41          HG12      ILE  41  -4.131  -4.722   5.278
  327   2HG1  ILE  41          HG11      ILE  41  -3.561  -5.465   3.788
  328   1HG2  ILE  41          HG21      ILE  41  -6.991  -3.372   3.752
  329   2HG2  ILE  41          HG22      ILE  41  -5.961  -2.864   5.090
  330   3HG2  ILE  41          HG23      ILE  41  -6.365  -4.568   4.887
  331   1HD1  ILE  41          HD11      ILE  41  -1.866  -4.148   5.090
  332   2HD1  ILE  41          HD12      ILE  41  -2.762  -2.700   4.631
  333   3HD1  ILE  41          HD13      ILE  41  -2.033  -3.718   3.388
  334    H    GLU  42           HN       GLU  42  -7.782  -4.366   2.257
  335    HA   GLU  42           HA       GLU  42  -8.422  -6.785   3.634
  336   1HB   GLU  42          HB2       GLU  42 -10.726  -6.153   3.342
  337   2HB   GLU  42          HB1       GLU  42  -9.810  -4.703   3.726
  338   1HG   GLU  42          HG2       GLU  42 -10.139  -3.778   1.686
  339   2HG   GLU  42          HG1       GLU  42 -10.220  -5.333   0.862
  340    H    ASP  43           HN       ASP  43  -8.220  -5.836   0.286
  341    HA   ASP  43           HA       ASP  43  -9.472  -8.250  -0.661
  342   1HB   ASP  43          HB2       ASP  43  -8.340  -5.805  -1.874
  343   2HB   ASP  43          HB1       ASP  43  -8.149  -7.268  -2.837
  344    H    ILE  44           HN       ILE  44  -6.294  -7.157   0.163
  345    HA   ILE  44           HA       ILE  44  -5.005  -9.422  -1.120
  346    HB   ILE  44           HB       ILE  44  -3.758  -7.405   0.752
  347   1HG1  ILE  44          HG12      ILE  44  -4.024  -7.356  -2.263
  348   2HG1  ILE  44          HG11      ILE  44  -4.745  -6.223  -1.129
  349   1HG2  ILE  44          HG21      ILE  44  -2.349  -9.289   0.539
  350   2HG2  ILE  44          HG22      ILE  44  -1.697  -8.067  -0.555
  351   3HG2  ILE  44          HG23      ILE  44  -2.647  -9.408  -1.196
  352   1HD1  ILE  44          HD11      ILE  44  -2.692  -5.444  -2.365
  353   2HD1  ILE  44          HD12      ILE  44  -1.781  -6.582  -1.373
  354   3HD1  ILE  44          HD13      ILE  44  -2.668  -5.261  -0.611
  355    H    HIS  45           HN       HIS  45  -6.260  -8.475   1.967
  356    HA   HIS  45           HA       HIS  45  -4.871 -10.474   3.493
  357   1HB   HIS  45          HB2       HIS  45  -7.125  -8.573   4.083
  358   2HB   HIS  45          HB1       HIS  45  -6.673  -9.833   5.230
  359    HD1  HIS  45           HD1      HIS  45  -5.974  -7.837   6.852
  360    HD2  HIS  45           HD2      HIS  45  -3.730  -8.259   3.383
  361    HE1  HIS  45           HE1      HIS  45  -3.882  -6.496   7.247
  362    HE2  HIS  45           HE2      HIS  45  -2.605  -6.651   5.082
  363    H    ASP  46           HN       ASP  46  -8.301 -10.027   2.584
  364    HA   ASP  46           HA       ASP  46  -9.104 -12.590   3.441
  365   1HB   ASP  46          HB2       ASP  46 -10.257 -10.439   1.756
  366   2HB   ASP  46          HB1       ASP  46 -10.895 -12.056   1.477
  367    H    PHE  47           HN       PHE  47  -7.466 -11.429   0.633
  368    HA   PHE  47           HA       PHE  47  -7.926 -13.923  -0.820
  369   1HB   PHE  47          HB2       PHE  47  -6.478 -11.380  -1.535
  370   2HB   PHE  47          HB1       PHE  47  -6.389 -12.824  -2.535
  371    HD1  PHE  47           HD1      PHE  47  -9.241 -11.252  -0.705
  372    HD2  PHE  47           HD2      PHE  47  -7.624 -12.463  -4.450
  373    HE1  PHE  47           HE1      PHE  47 -11.346 -10.634  -1.810
  374    HE2  PHE  47           HE2      PHE  47  -9.724 -11.840  -5.562
  375    HZ   PHE  47           HZ       PHE  47 -11.590 -10.924  -4.243
  376    H    MET  48           HN       MET  48  -5.509 -12.393   1.144
  377    HA   MET  48           HA       MET  48  -3.184 -13.702   0.462
  378   1HB   MET  48          HB2       MET  48  -4.106 -12.176   2.645
  379   2HB   MET  48          HB1       MET  48  -3.452 -13.654   3.334
  380   1HG   MET  48          HG2       MET  48  -1.331 -13.278   2.292
  381   2HG   MET  48          HG1       MET  48  -1.967 -11.902   1.394
  382   1HE   MET  48          HE1       MET  48   0.106 -10.612   2.150
  383   2HE   MET  48          HE2       MET  48  -0.082  -9.500   3.506
  384   3HE   MET  48          HE3       MET  48  -1.271  -9.510   2.202
  385    H    GLN  49           HN       GLN  49  -6.017 -14.951   2.041
  386    HA   GLN  49           HA       GLN  49  -4.772 -17.374   2.949
  387   1HB   GLN  49          HB2       GLN  49  -7.328 -16.053   3.254
  388   2HB   GLN  49          HB1       GLN  49  -7.553 -17.757   2.874
  389   1HG   GLN  49          HG2       GLN  49  -5.623 -17.906   4.765
  390   2HG   GLN  49          HG1       GLN  49  -6.512 -16.480   5.299
  391   1HE2  GLN  49          HE21      GLN  49  -7.389 -17.422   7.099
  392   2HE2  GLN  49          HE22      GLN  49  -8.578 -18.672   7.031
  393    H    GLY  50           HN       GLY  50  -6.475 -16.312   0.100
  394   1HA   GLY  50          HA2       GLY  50  -5.762 -17.721  -1.881
  395   2HA   GLY  50          HA1       GLY  50  -6.380 -19.072  -0.944
  396    H    GLY  51           HN       GLY  51  -8.451 -16.714  -0.147
  397   1HA   GLY  51          HA2       GLY  51 -10.660 -17.707  -1.443
  398   2HA   GLY  51          HA1       GLY  51 -10.534 -16.051  -0.870
  399    H    GLY  52           HN       GLY  52  -8.279 -15.476  -2.668
  400   1HA   GLY  52          HA2       GLY  52  -9.318 -15.814  -5.348
  401   2HA   GLY  52          HA1       GLY  52  -9.428 -14.174  -4.728
  402    H    SER  53           HN       SER  53  -6.797 -16.167  -3.691
  403    HA   SER  53           HA       SER  53  -4.832 -14.365  -4.521
  404   1HB   SER  53          HB2       SER  53  -3.269 -15.881  -3.655
  405   2HB   SER  53          HB1       SER  53  -4.727 -16.260  -2.738
  406    HG   SER  53           HG       SER  53  -5.080 -18.013  -4.116
  407    H    GLY  54           HN       GLY  54  -2.995 -14.926  -6.006
  408   1HA   GLY  54          HA2       GLY  54  -2.204 -15.441  -8.105
  409   2HA   GLY  54          HA1       GLY  54  -3.354 -16.771  -8.130
  410    H    GLY  55           HN       GLY  55  -3.714 -13.235  -8.015
  411   1HA   GLY  55          HA2       GLY  55  -4.410 -12.647 -10.569
  412   2HA   GLY  55          HA1       GLY  55  -5.885 -13.343  -9.911
  413    H    LYS  56           HN       LYS  56  -5.130 -12.225  -7.199
  414    HA   LYS  56           HA       LYS  56  -6.411  -9.659  -7.596
  415   1HB   LYS  56          HB2       LYS  56  -6.451  -9.559  -5.127
  416   2HB   LYS  56          HB1       LYS  56  -7.167 -11.037  -5.752
  417   1HG   LYS  56          HG2       LYS  56  -5.899 -12.038  -4.205
  418   2HG   LYS  56          HG1       LYS  56  -4.600 -11.826  -5.375
  419   1HD   LYS  56          HD2       LYS  56  -3.871  -9.815  -4.286
  420   2HD   LYS  56          HD1       LYS  56  -5.275  -9.832  -3.219
  421   1HE   LYS  56          HE2       LYS  56  -4.118 -11.033  -1.753
  422   2HE   LYS  56          HE1       LYS  56  -4.003 -12.334  -2.937
  423   1HZ   LYS  56          HZ1       LYS  56  -1.894 -11.790  -3.463
  424   2HZ   LYS  56          HZ2       LYS  56  -1.887 -11.129  -1.907
  425   3HZ   LYS  56          HZ3       LYS  56  -2.130 -10.129  -3.249
  426    H    LEU  57           HN       LEU  57  -3.302 -10.858  -6.386
  427    HA   LEU  57           HA       LEU  57  -2.289  -8.337  -5.659
  428   1HB   LEU  57          HB2       LEU  57  -1.431 -10.667  -5.035
  429   2HB   LEU  57          HB1       LEU  57  -0.574 -10.621  -6.562
  430    HG   LEU  57           HG       LEU  57   0.556  -8.527  -5.794
  431   1HD1  LEU  57          HD11      LEU  57   0.150  -7.555  -3.813
  432   2HD1  LEU  57          HD12      LEU  57  -0.062  -9.096  -2.982
  433   3HD1  LEU  57          HD13      LEU  57  -1.392  -8.405  -3.913
  434   1HD2  LEU  57          HD21      LEU  57   1.213 -11.110  -5.351
  435   2HD2  LEU  57          HD22      LEU  57   1.229 -10.479  -3.703
  436   3HD2  LEU  57          HD23      LEU  57   2.245  -9.740  -4.940
  437    H    GLN  58           HN       GLN  58  -2.929  -9.527  -8.760
  438    HA   GLN  58           HA       GLN  58  -0.733  -8.088  -9.983
  439   1HB   GLN  58          HB2       GLN  58  -1.875  -8.767 -12.149
  440   2HB   GLN  58          HB1       GLN  58  -1.268 -10.075 -11.144
  441   1HG   GLN  58          HG2       GLN  58  -3.454 -10.611 -10.385
  442   2HG   GLN  58          HG1       GLN  58  -4.131  -9.164 -11.130
  443   1HE2  GLN  58          HE21      GLN  58  -4.007  -9.027 -13.484
  444   2HE2  GLN  58          HE22      GLN  58  -4.140 -10.481 -14.409
  445    H    GLU  59           HN       GLU  59  -4.278  -7.839  -9.935
  446    HA   GLU  59           HA       GLU  59  -4.141  -5.214 -11.167
  447   1HB   GLU  59          HB2       GLU  59  -6.397  -7.022 -10.332
  448   2HB   GLU  59          HB1       GLU  59  -6.691  -5.346 -10.776
  449   1HG   GLU  59          HG2       GLU  59  -6.153  -5.689 -12.981
  450   2HG   GLU  59          HG1       GLU  59  -5.144  -7.089 -12.628
  451    H    MET  60           HN       MET  60  -4.653  -6.664  -8.034
  452    HA   MET  60           HA       MET  60  -5.552  -4.232  -6.800
  453   1HB   MET  60          HB2       MET  60  -5.955  -6.729  -6.086
  454   2HB   MET  60          HB1       MET  60  -4.439  -6.515  -5.223
  455   1HG   MET  60          HG2       MET  60  -5.819  -5.864  -3.573
  456   2HG   MET  60          HG1       MET  60  -5.709  -4.314  -4.407
  457   1HE   MET  60          HE1       MET  60  -7.198  -3.420  -5.986
  458   2HE   MET  60          HE2       MET  60  -8.948  -3.639  -5.964
  459   3HE   MET  60          HE3       MET  60  -7.945  -4.649  -7.006
  460    H    MET  61           HN       MET  61  -2.458  -5.783  -7.368
  461    HA   MET  61           HA       MET  61  -0.963  -4.486  -5.374
  462   1HB   MET  61          HB2       MET  61   0.154  -6.212  -6.496
  463   2HB   MET  61          HB1       MET  61  -0.241  -5.569  -8.084
  464   1HG   MET  61          HG2       MET  61   1.359  -3.705  -6.565
  465   2HG   MET  61          HG1       MET  61   2.140  -5.279  -6.679
  466   1HE   MET  61          HE1       MET  61   4.278  -4.548  -9.076
  467   2HE   MET  61          HE2       MET  61   3.881  -3.892  -7.488
  468   3HE   MET  61          HE3       MET  61   3.858  -2.843  -8.906
  469    H    LYS  62           HN       LYS  62  -1.886  -3.469  -8.632
  470    HA   LYS  62           HA       LYS  62  -0.418  -1.029  -8.573
  471   1HB   LYS  62          HB2       LYS  62  -1.164  -2.188 -10.655
  472   2HB   LYS  62          HB1       LYS  62  -2.817  -1.724 -10.274
  473   1HG   LYS  62          HG2       LYS  62  -2.150   0.644 -10.383
  474   2HG   LYS  62          HG1       LYS  62  -0.522   0.140 -10.840
  475   1HD   LYS  62          HD2       LYS  62  -1.145  -0.432 -12.946
  476   2HD   LYS  62          HD1       LYS  62  -2.749  -0.965 -12.441
  477   1HE   LYS  62          HE2       LYS  62  -2.028   1.937 -12.370
  478   2HE   LYS  62          HE1       LYS  62  -2.507   1.179 -13.887
  479   1HZ   LYS  62          HZ1       LYS  62  -4.512   0.357 -12.530
  480   2HZ   LYS  62          HZ2       LYS  62  -4.489   1.970 -13.039
  481   3HZ   LYS  62          HZ3       LYS  62  -4.098   1.584 -11.439
  482    H    GLU  63           HN       GLU  63  -3.329  -2.025  -7.111
  483    HA   GLU  63           HA       GLU  63  -4.558   0.578  -7.043
  484   1HB   GLU  63          HB2       GLU  63  -5.821  -1.605  -7.017
  485   2HB   GLU  63          HB1       GLU  63  -5.264  -1.828  -5.365
  486   1HG   GLU  63          HG2       GLU  63  -6.884  -0.543  -4.583
  487   2HG   GLU  63          HG1       GLU  63  -6.421   0.775  -5.658
  488    H    PHE  64           HN       PHE  64  -2.335  -1.220  -5.057
  489    HA   PHE  64           HA       PHE  64  -2.742   0.531  -2.778
  490   1HB   PHE  64          HB2       PHE  64  -1.306  -0.901  -1.561
  491   2HB   PHE  64          HB1       PHE  64  -2.196  -1.985  -2.623
  492    HD1  PHE  64           HD1      PHE  64  -1.029  -3.613  -3.684
  493    HD2  PHE  64           HD2      PHE  64   0.995  -0.020  -2.633
  494    HE1  PHE  64           HE1      PHE  64   1.074  -4.550  -4.541
  495    HE2  PHE  64           HE2      PHE  64   3.101  -0.953  -3.491
  496    HZ   PHE  64           HZ       PHE  64   3.139  -3.218  -4.448
  497    H    GLN  65           HN       GLN  65  -0.503   0.051  -5.405
  498    HA   GLN  65           HA       GLN  65   1.431   1.937  -4.419
  499   1HB   GLN  65          HB2       GLN  65   1.780  -0.087  -6.030
  500   2HB   GLN  65          HB1       GLN  65   1.271   1.043  -7.278
  501   1HG   GLN  65          HG2       GLN  65   3.099   2.579  -6.246
  502   2HG   GLN  65          HG1       GLN  65   3.725   1.069  -5.585
  503   1HE2  GLN  65          HE21      GLN  65   4.934  -0.188  -6.846
  504   2HE2  GLN  65          HE22      GLN  65   5.185   0.044  -8.540
  505    H    GLN  66           HN       GLN  66  -1.266   1.963  -6.683
  506    HA   GLN  66           HA       GLN  66  -0.815   4.371  -7.986
  507   1HB   GLN  66          HB2       GLN  66  -2.614   2.850  -8.627
  508   2HB   GLN  66          HB1       GLN  66  -3.455   3.177  -7.118
  509   1HG   GLN  66          HG2       GLN  66  -4.464   4.389  -8.956
  510   2HG   GLN  66          HG1       GLN  66  -3.760   5.502  -7.783
  511   1HE2  GLN  66          HE21      GLN  66  -3.807   7.068  -9.489
  512   2HE2  GLN  66          HE22      GLN  66  -2.556   7.090 -10.680
  513    H    VAL  67           HN       VAL  67  -2.039   3.736  -4.774
  514    HA   VAL  67           HA       VAL  67  -3.072   6.268  -4.143
  515    HB   VAL  67           HB       VAL  67  -1.759   4.184  -2.381
  516   1HG1  VAL  67          HG11      VAL  67  -3.696   5.972  -1.123
  517   2HG1  VAL  67          HG12      VAL  67  -2.211   6.776  -1.627
  518   3HG1  VAL  67          HG13      VAL  67  -2.138   5.393  -0.537
  519   1HG2  VAL  67          HG21      VAL  67  -3.628   3.035  -2.676
  520   2HG2  VAL  67          HG22      VAL  67  -4.273   4.305  -3.716
  521   3HG2  VAL  67          HG23      VAL  67  -4.545   4.367  -1.976
  522    H    LEU  68           HN       LEU  68   0.193   4.958  -3.994
  523    HA   LEU  68           HA       LEU  68   1.351   7.316  -2.809
  524   1HB   LEU  68          HB2       LEU  68   2.273   4.688  -3.770
  525   2HB   LEU  68          HB1       LEU  68   3.443   5.991  -3.885
  526    HG   LEU  68           HG       LEU  68   2.523   6.369  -1.356
  527   1HD1  LEU  68          HD11      LEU  68   1.423   4.596  -0.600
  528   2HD1  LEU  68          HD12      LEU  68   2.901   3.654  -0.794
  529   3HD1  LEU  68          HD13      LEU  68   1.714   3.708  -2.096
  530   1HD2  LEU  68          HD21      LEU  68   4.877   5.355  -2.657
  531   2HD2  LEU  68          HD22      LEU  68   4.627   4.512  -1.129
  532   3HD2  LEU  68          HD23      LEU  68   4.738   6.271  -1.158
  533    H    ASP  69           HN       ASP  69   0.128   6.662  -5.846
  534    HA   ASP  69           HA       ASP  69   2.070   8.035  -7.453
  535   1HB   ASP  69          HB2       ASP  69   0.103   6.308  -8.083
  536   2HB   ASP  69          HB1       ASP  69  -0.754   7.820  -8.369
  537    H    GLU  70           HN       GLU  70  -1.250   8.793  -6.381
  538    HA   GLU  70           HA       GLU  70  -1.359  11.471  -7.172
  539   1HB   GLU  70          HB2       GLU  70  -3.118   9.855  -5.980
  540   2HB   GLU  70          HB1       GLU  70  -2.518  10.651  -4.527
  541   1HG   GLU  70          HG2       GLU  70  -4.286  11.975  -5.019
  542   2HG   GLU  70          HG1       GLU  70  -3.013  12.824  -5.895
  543    H    LEU  71           HN       LEU  71  -0.065   9.889  -4.390
  544    HA   LEU  71           HA       LEU  71   0.641  12.169  -2.870
  545   1HB   LEU  71          HB2       LEU  71   0.241  10.199  -1.718
  546   2HB   LEU  71          HB1       LEU  71   1.193   9.243  -2.826
  547    HG   LEU  71           HG       LEU  71   3.060  10.935  -1.690
  548   1HD1  LEU  71          HD11      LEU  71   0.784  10.716   0.059
  549   2HD1  LEU  71          HD12      LEU  71   2.254  11.666   0.249
  550   3HD1  LEU  71          HD13      LEU  71   2.211   9.987   0.787
  551   1HD2  LEU  71          HD21      LEU  71   3.633   8.725  -2.089
  552   2HD2  LEU  71          HD22      LEU  71   2.205   8.107  -1.269
  553   3HD2  LEU  71          HD23      LEU  71   3.530   8.782  -0.329
  554    H    ASN  72           HN       ASN  72   2.798   9.726  -4.315
  555    HA   ASN  72           HA       ASN  72   5.159  11.118  -4.077
  556   1HB   ASN  72          HB2       ASN  72   4.880   8.718  -4.789
  557   2HB   ASN  72          HB1       ASN  72   4.496   9.310  -6.403
  558   1HD2  ASN  72          HD21      ASN  72   6.219   8.573  -7.501
  559   2HD2  ASN  72          HD22      ASN  72   7.852   9.036  -7.184
  560    H    ASN  73           HN       ASN  73   2.602  11.614  -6.366
  561    HA   ASN  73           HA       ASN  73   4.248  13.267  -8.093
  562   1HB   ASN  73          HB2       ASN  73   2.275  11.709  -8.796
  563   2HB   ASN  73          HB1       ASN  73   1.263  13.066  -8.312
  564   1HD2  ASN  73          HD21      ASN  73   1.318  12.109 -10.900
  565   2HD2  ASN  73          HD22      ASN  73   2.024  13.302 -11.931
  566    H    HIS  74           HN       HIS  74   3.186  13.845  -5.144
  567    HA   HIS  74           HA       HIS  74   2.980  16.693  -5.598
  568   1HB   HIS  74          HB2       HIS  74   0.665  15.070  -4.580
  569   2HB   HIS  74          HB1       HIS  74   0.864  16.760  -4.123
  570    HD1  HIS  74           HD1      HIS  74   0.979  18.469  -6.242
  571    HD2  HIS  74           HD2      HIS  74  -0.610  14.694  -6.947
  572    HE1  HIS  74           HE1      HIS  74  -0.303  18.671  -8.395
  573    HE2  HIS  74           HE2      HIS  74  -1.175  16.351  -8.851
  574    H    LEU  75           HN       LEU  75   4.844  14.919  -4.256
  575    HA   LEU  75           HA       LEU  75   4.625  14.877  -1.475
  576   1HB   LEU  75          HB2       LEU  75   6.714  14.616  -3.442
  577   2HB   LEU  75          HB1       LEU  75   7.293  15.595  -2.111
  578    HG   LEU  75           HG       LEU  75   7.929  13.465  -1.492
  579   1HD1  LEU  75          HD11      LEU  75   5.225  13.418  -0.223
  580   2HD1  LEU  75          HD12      LEU  75   6.389  14.680   0.181
  581   3HD1  LEU  75          HD13      LEU  75   6.791  12.986   0.464
  582   1HD2  LEU  75          HD21      LEU  75   6.614  12.403  -3.354
  583   2HD2  LEU  75          HD22      LEU  75   5.253  12.331  -2.235
  584   3HD2  LEU  75          HD23      LEU  75   6.745  11.466  -1.868
  585    H    GLN  76           HN       GLN  76   3.558  16.777  -0.830
  586    HA   GLN  76           HA       GLN  76   4.455  19.362  -1.490
  587   1HB   GLN  76          HB2       GLN  76   2.304  18.216  -0.006
  588   2HB   GLN  76          HB1       GLN  76   3.052  19.451   0.994
  589   1HG   GLN  76          HG2       GLN  76   1.788  19.751  -1.708
  590   2HG   GLN  76          HG1       GLN  76   1.351  20.538  -0.193
  591   1HE2  GLN  76          HE21      GLN  76   1.815  21.873  -2.626
  592   2HE2  GLN  76          HE22      GLN  76   3.199  22.887  -2.427
  593    H    GLY  77           HN       GLY  77   6.783  18.821  -1.019
  594   1HA   GLY  77          HA2       GLY  77   8.671  19.209   0.227
  595   2HA   GLY  77          HA1       GLY  77   7.661  20.221   1.250
  596    H    GLY  78           HN       GLY  78   6.771  16.904   0.875
  597   1HA   GLY  78          HA2       GLY  78   7.877  16.340   3.558
  598   2HA   GLY  78          HA1       GLY  78   6.280  15.805   3.055
  599    H    LYS  79           HN       LYS  79   9.257  15.748   1.160
  600    HA   LYS  79           HA       LYS  79   8.934  13.261   0.050
  601   1HB   LYS  79          HB2       LYS  79  11.243  15.043   0.544
  602   2HB   LYS  79          HB1       LYS  79  11.630  13.365   0.190
  603   1HG   LYS  79          HG2       LYS  79   9.662  14.317  -1.662
  604   2HG   LYS  79          HG1       LYS  79  11.037  15.418  -1.623
  605   1HD   LYS  79          HD2       LYS  79  11.342  13.664  -3.302
  606   2HD   LYS  79          HD1       LYS  79  12.557  13.552  -2.027
  607   1HE   LYS  79          HE2       LYS  79  11.706  11.603  -1.199
  608   2HE   LYS  79          HE1       LYS  79  10.058  11.985  -1.696
  609   1HZ   LYS  79          HZ1       LYS  79  12.213  11.275  -3.606
  610   2HZ   LYS  79          HZ2       LYS  79  10.556  11.398  -3.923
  611   3HZ   LYS  79          HZ3       LYS  79  11.140  10.142  -2.951
  612    H    HIS  80           HN       HIS  80  10.466  14.061   3.120
  613    HA   HIS  80           HA       HIS  80  11.568  11.594   3.742
  614   1HB   HIS  80          HB2       HIS  80  10.735  13.978   5.266
  615   2HB   HIS  80          HB1       HIS  80  10.816  12.490   6.203
  616    HD1  HIS  80           HD1      HIS  80  12.777  14.610   6.947
  617    HD2  HIS  80           HD2      HIS  80  13.569  11.794   3.998
  618    HE1  HIS  80           HE1      HIS  80  15.283  14.509   6.770
  619    HE2  HIS  80           HE2      HIS  80  15.741  12.733   5.042
  620    H    THR  81           HN       THR  81   8.239  12.670   4.016
  621    HA   THR  81           HA       THR  81   7.335  10.499   5.606
  622    HB   THR  81           HB       THR  81   6.047  12.590   3.906
  623    HG1  THR  81           HG1      THR  81   5.762  11.743   6.594
  624   1HG2  THR  81          HG21      THR  81   4.777  10.009   4.577
  625   2HG2  THR  81          HG22      THR  81   4.433  11.155   3.272
  626   3HG2  THR  81          HG23      THR  81   3.841  11.473   4.906
  627    H    VAL  82           HN       VAL  82   6.432  11.140   2.254
  628    HA   VAL  82           HA       VAL  82   5.655   8.575   1.582
  629    HB   VAL  82           HB       VAL  82   6.997  10.525  -0.294
  630   1HG1  VAL  82          HG11      VAL  82   5.329   9.396  -1.902
  631   2HG1  VAL  82          HG12      VAL  82   5.243   8.120  -0.689
  632   3HG1  VAL  82          HG13      VAL  82   6.786   8.509  -1.452
  633   1HG2  VAL  82          HG21      VAL  82   5.262  11.707   0.816
  634   2HG2  VAL  82          HG22      VAL  82   4.157  10.345   0.672
  635   3HG2  VAL  82          HG23      VAL  82   4.638  11.244  -0.765
  636    H    HIS  83           HN       HIS  83   8.925  10.007   1.424
  637    HA   HIS  83           HA       HIS  83  10.230   8.003   0.043
  638   1HB   HIS  83          HB2       HIS  83  11.310  10.100   0.829
  639   2HB   HIS  83          HB1       HIS  83  11.300   9.469   2.472
  640    HD1  HIS  83           HD1      HIS  83  13.162   7.883   3.118
  641    HD2  HIS  83           HD2      HIS  83  13.116   8.768  -0.942
  642    HE1  HIS  83           HE1      HIS  83  15.307   6.944   2.201
  643    HE2  HIS  83           HE2      HIS  83  15.302   7.577  -0.237
  644    H    HIS  84           HN       HIS  84   9.279   8.136   3.427
  645    HA   HIS  84           HA       HIS  84  10.419   5.583   4.076
  646   1HB   HIS  84          HB2       HIS  84   9.564   7.742   5.555
  647   2HB   HIS  84          HB1       HIS  84   8.290   6.562   5.839
  648    HD1  HIS  84           HD1      HIS  84  11.954   7.137   6.402
  649    HD2  HIS  84           HD2      HIS  84   9.007   4.391   7.423
  650    HE1  HIS  84           HE1      HIS  84  12.979   5.680   8.177
  651    HE2  HIS  84           HE2      HIS  84  11.156   4.067   8.825
  652    H    ILE  85           HN       ILE  85   7.362   6.756   2.885
  653    HA   ILE  85           HA       ILE  85   6.025   4.253   3.443
  654    HB   ILE  85           HB       ILE  85   4.079   5.312   3.191
  655   1HG1  ILE  85          HG12      ILE  85   4.800   7.075   0.908
  656   2HG1  ILE  85          HG11      ILE  85   4.569   5.356   0.624
  657   1HG2  ILE  85          HG21      ILE  85   4.146   7.809   3.260
  658   2HG2  ILE  85          HG22      ILE  85   5.894   7.656   3.154
  659   3HG2  ILE  85          HG23      ILE  85   5.037   6.948   4.515
  660   1HD1  ILE  85          HD11      ILE  85   2.339   5.470   0.896
  661   2HD1  ILE  85          HD12      ILE  85   2.590   7.169   0.500
  662   3HD1  ILE  85          HD13      ILE  85   2.450   6.667   2.184
  663    H    GLU  86           HN       GLU  86   7.527   5.836   0.711
  664    HA   GLU  86           HA       GLU  86   6.544   3.957  -1.225
  665   1HB   GLU  86          HB2       GLU  86   8.411   4.957  -2.655
  666   2HB   GLU  86          HB1       GLU  86   7.144   6.052  -2.132
  667   1HG   GLU  86          HG2       GLU  86   8.603   7.375  -1.150
  668   2HG   GLU  86          HG1       GLU  86   9.269   6.037  -0.218
  669    H    GLN  87           HN       GLN  87   9.611   4.405   0.536
  670    HA   GLN  87           HA       GLN  87  10.972   2.218  -0.578
  671   1HB   GLN  87          HB2       GLN  87  11.274   3.953   1.765
  672   2HB   GLN  87          HB1       GLN  87  11.853   2.318   2.045
  673   1HG   GLN  87          HG2       GLN  87  13.676   3.658   1.297
  674   2HG   GLN  87          HG1       GLN  87  13.258   2.519   0.018
  675   1HE2  GLN  87          HE21      GLN  87  12.225   3.285  -1.848
  676   2HE2  GLN  87          HE22      GLN  87  12.280   4.954  -2.289
  677    H    ASN  88           HN       ASN  88   8.513   2.505   1.844
  678    HA   ASN  88           HA       ASN  88   8.733  -0.224   2.756
  679   1HB   ASN  88          HB2       ASN  88   7.149   2.174   3.475
  680   2HB   ASN  88          HB1       ASN  88   6.342   0.627   3.723
  681   1HD2  ASN  88          HD21      ASN  88   9.294   2.416   4.445
  682   2HD2  ASN  88          HD22      ASN  88   9.607   1.641   5.957
  683    H    ILE  89           HN       ILE  89   5.984   1.598   1.385
  684    HA   ILE  89           HA       ILE  89   4.448  -0.558   0.655
  685    HB   ILE  89           HB       ILE  89   4.406   2.252   0.083
  686   1HG1  ILE  89          HG12      ILE  89   1.988   0.791  -0.524
  687   2HG1  ILE  89          HG11      ILE  89   2.734   0.206   0.962
  688   1HG2  ILE  89          HG21      ILE  89   3.224   2.191  -2.084
  689   2HG2  ILE  89          HG22      ILE  89   3.642   0.486  -2.242
  690   3HG2  ILE  89          HG23      ILE  89   4.915   1.709  -2.225
  691   1HD1  ILE  89          HD11      ILE  89   2.839   2.983   1.161
  692   2HD1  ILE  89          HD12      ILE  89   1.742   1.893   2.007
  693   3HD1  ILE  89          HD13      ILE  89   1.250   2.632   0.483
  694    H    LYS  90           HN       LYS  90   6.931   1.062  -1.307
  695    HA   LYS  90           HA       LYS  90   6.493  -0.525  -3.576
  696   1HB   LYS  90          HB2       LYS  90   9.073   0.800  -2.700
  697   2HB   LYS  90          HB1       LYS  90   8.742   0.180  -4.312
  698   1HG   LYS  90          HG2       LYS  90   6.804   2.138  -3.266
  699   2HG   LYS  90          HG1       LYS  90   8.425   2.748  -3.608
  700   1HD   LYS  90          HD2       LYS  90   6.782   1.152  -5.567
  701   2HD   LYS  90          HD1       LYS  90   6.816   2.916  -5.521
  702   1HE   LYS  90          HE2       LYS  90   9.498   1.964  -5.522
  703   2HE   LYS  90          HE1       LYS  90   8.618   1.140  -6.809
  704   1HZ   LYS  90          HZ1       LYS  90   8.373   3.033  -7.974
  705   2HZ   LYS  90          HZ2       LYS  90   9.728   3.534  -7.094
  706   3HZ   LYS  90          HZ3       LYS  90   8.180   4.004  -6.601
  707    H    GLU  91           HN       GLU  91   8.241  -1.048  -0.630
  708    HA   GLU  91           HA       GLU  91   9.449  -3.511  -1.613
  709   1HB   GLU  91          HB2       GLU  91  10.623  -1.858  -0.049
  710   2HB   GLU  91          HB1       GLU  91   9.554  -2.460   1.212
  711   1HG   GLU  91          HG2       GLU  91  10.425  -4.765   0.678
  712   2HG   GLU  91          HG1       GLU  91  11.649  -3.974  -0.315
  713    H    ILE  92           HN       ILE  92   6.487  -2.603  -0.521
  714    HA   ILE  92           HA       ILE  92   5.908  -4.785   1.235
  715    HB   ILE  92           HB       ILE  92   4.494  -2.414   0.265
  716   1HG1  ILE  92          HG12      ILE  92   3.692  -2.341   2.520
  717   2HG1  ILE  92          HG11      ILE  92   4.097  -4.034   2.780
  718   1HG2  ILE  92          HG21      ILE  92   2.995  -4.987   0.638
  719   2HG2  ILE  92          HG22      ILE  92   2.936  -3.874  -0.730
  720   3HG2  ILE  92          HG23      ILE  92   2.239  -3.404   0.821
  721   1HD1  ILE  92          HD11      ILE  92   6.521  -3.046   2.137
  722   2HD1  ILE  92          HD12      ILE  92   5.901  -3.168   3.784
  723   3HD1  ILE  92          HD13      ILE  92   5.786  -1.641   2.910
  724    H    PHE  93           HN       PHE  93   5.528  -3.994  -2.152
  725    HA   PHE  93           HA       PHE  93   3.843  -6.153  -2.856
  726   1HB   PHE  93          HB2       PHE  93   3.998  -5.303  -4.953
  727   2HB   PHE  93          HB1       PHE  93   4.821  -3.962  -4.159
  728    HD1  PHE  93           HD1      PHE  93   7.409  -4.514  -3.700
  729    HD2  PHE  93           HD2      PHE  93   5.030  -6.122  -6.835
  730    HE1  PHE  93           HE1      PHE  93   9.441  -4.993  -4.989
  731    HE2  PHE  93           HE2      PHE  93   7.059  -6.600  -8.136
  732    HZ   PHE  93           HZ       PHE  93   9.275  -6.033  -7.218
  733    H    HIS  94           HN       HIS  94   7.294  -5.847  -2.393
  734    HA   HIS  94           HA       HIS  94   8.178  -8.120  -3.761
  735   1HB   HIS  94          HB2       HIS  94   9.296  -6.177  -2.007
  736   2HB   HIS  94          HB1       HIS  94   9.754  -7.764  -1.401
  737    HD1  HIS  94           HD1      HIS  94   9.864  -8.974  -4.413
  738    HD2  HIS  94           HD2      HIS  94  11.895  -5.670  -2.924
  739    HE1  HIS  94           HE1      HIS  94  11.869  -8.691  -5.902
  740    HE2  HIS  94           HE2      HIS  94  13.131  -6.741  -4.926
  741    H    HIS  95           HN       HIS  95   7.503  -7.741  -0.293
  742    HA   HIS  95           HA       HIS  95   7.664 -10.529   0.237
  743   1HB   HIS  95          HB2       HIS  95   7.287  -8.104   1.740
  744   2HB   HIS  95          HB1       HIS  95   6.092  -9.297   2.237
  745    HD1  HIS  95           HD1      HIS  95   6.957 -11.418   3.428
  746    HD2  HIS  95           HD2      HIS  95   9.943  -8.726   2.379
  747    HE1  HIS  95           HE1      HIS  95   9.011 -12.175   4.666
  748    HE2  HIS  95           HE2      HIS  95  10.827 -10.584   3.944
  749    H    LEU  96           HN       LEU  96   5.339  -8.654  -1.324
  750    HA   LEU  96           HA       LEU  96   3.080 -10.285  -0.467
  751   1HB   LEU  96          HB2       LEU  96   3.399  -7.869  -2.213
  752   2HB   LEU  96          HB1       LEU  96   1.914  -8.808  -2.262
  753    HG   LEU  96           HG       LEU  96   3.070  -7.568   0.222
  754   1HD1  LEU  96          HD11      LEU  96   1.239  -5.936   0.012
  755   2HD1  LEU  96          HD12      LEU  96   0.821  -6.632  -1.553
  756   3HD1  LEU  96          HD13      LEU  96   2.379  -5.838  -1.330
  757   1HD2  LEU  96          HD21      LEU  96   1.281  -8.349   1.387
  758   2HD2  LEU  96          HD22      LEU  96   1.435  -9.649   0.201
  759   3HD2  LEU  96          HD23      LEU  96   0.232  -8.381  -0.031
  760    H    GLU  97           HN       GLU  97   4.718  -9.499  -3.528
  761    HA   GLU  97           HA       GLU  97   3.400 -11.495  -5.036
  762   1HB   GLU  97          HB2       GLU  97   5.816  -9.791  -5.391
  763   2HB   GLU  97          HB1       GLU  97   5.702 -11.233  -6.390
  764   1HG   GLU  97          HG2       GLU  97   3.213 -10.151  -6.669
  765   2HG   GLU  97          HG1       GLU  97   4.231  -8.717  -6.542
  766    H    GLU  98           HN       GLU  98   5.698 -11.661  -2.563
  767    HA   GLU  98           HA       GLU  98   6.999 -14.081  -3.445
  768   1HB   GLU  98          HB2       GLU  98   7.267 -12.186  -1.234
  769   2HB   GLU  98          HB1       GLU  98   7.489 -13.857  -0.735
  770   1HG   GLU  98          HG2       GLU  98   8.917 -13.306  -3.177
  771   2HG   GLU  98          HG1       GLU  98   9.373 -12.181  -1.899
  772    H    LEU  99           HN       LEU  99   3.952 -13.483  -2.372
  773    HA   LEU  99           HA       LEU  99   3.722 -15.891  -0.727
  774   1HB   LEU  99          HB2       LEU  99   1.652 -13.816  -1.454
  775   2HB   LEU  99          HB1       LEU  99   1.427 -15.134  -0.318
  776    HG   LEU  99           HG       LEU  99   3.685 -13.309   0.224
  777   1HD1  LEU  99          HD11      LEU  99   2.445 -11.480   0.902
  778   2HD1  LEU  99          HD12      LEU  99   0.951 -12.404   1.026
  779   3HD1  LEU  99          HD13      LEU  99   1.585 -11.963  -0.559
  780   1HD2  LEU  99          HD21      LEU  99   1.639 -14.000   2.237
  781   2HD2  LEU  99          HD22      LEU  99   3.398 -14.018   2.351
  782   3HD2  LEU  99          HD23      LEU  99   2.554 -15.348   1.563
  783    H    VAL 100           HN       VAL 100   1.762 -14.449  -3.313
  784    HA   VAL 100           HA       VAL 100   0.531 -16.833  -4.104
  785    HB   VAL 100           HB       VAL 100   1.064 -14.405  -5.827
  786   1HG1  VAL 100          HG11      VAL 100   0.086 -16.755  -6.673
  787   2HG1  VAL 100          HG12      VAL 100  -0.436 -15.204  -7.325
  788   3HG1  VAL 100          HG13      VAL 100  -1.404 -16.014  -6.093
  789   1HG2  VAL 100          HG21      VAL 100  -0.497 -13.254  -4.714
  790   2HG2  VAL 100          HG22      VAL 100  -0.265 -14.433  -3.422
  791   3HG2  VAL 100          HG23      VAL 100  -1.568 -14.649  -4.590
  792    H    HIS 101           HN       HIS 101   3.632 -15.472  -4.901
  793    HA   HIS 101           HA       HIS 101   4.040 -17.273  -7.136
  794   1HB   HIS 101          HB2       HIS 101   4.967 -14.819  -6.770
  795   2HB   HIS 101          HB1       HIS 101   6.274 -15.681  -5.962
  796    HD1  HIS 101           HD1      HIS 101   7.642 -17.387  -7.472
  797    HD2  HIS 101           HD2      HIS 101   5.036 -14.876  -9.515
  798    HE1  HIS 101           HE1      HIS 101   8.338 -17.515  -9.885
  799    HE2  HIS 101           HE2      HIS 101   6.801 -15.922 -11.089
  800    H    ARG 102           HN       ARG 102   4.967 -17.003  -3.750
  801    HA   ARG 102           HA       ARG 102   6.722 -19.332  -4.013
  802   1HB   ARG 102          HB2       ARG 102   7.223 -17.198  -2.609
  803   2HB   ARG 102          HB1       ARG 102   6.153 -17.932  -1.423
  804   1HG   ARG 102          HG2       ARG 102   7.587 -19.913  -1.359
  805   2HG   ARG 102          HG1       ARG 102   8.668 -19.161  -2.534
  806   1HD   ARG 102          HD2       ARG 102   9.633 -18.803  -0.399
  807   2HD   ARG 102          HD1       ARG 102   8.939 -17.263  -0.907
  808    HE   ARG 102           HE       ARG 102   7.206 -18.889   0.731
  809   1HH1  ARG 102          HH11      ARG 102   9.654 -16.400   0.696
  810   2HH1  ARG 102          HH12      ARG 102   9.202 -15.761   2.241
  811   1HH2  ARG 102          HH21      ARG 102   6.612 -18.049   2.761
  812   2HH2  ARG 102          HH22      ARG 102   7.476 -16.696   3.412
  Start of MODEL    3
    1   1H    MET   1           HT1      MET   1   0.471 -22.953   7.011
    2   2H    MET   1           HT2      MET   1   1.100 -21.394   7.357
    3   3H    MET   1           HT3      MET   1   1.649 -22.256   5.979
    4    HA   MET   1           HA       MET   1  -0.391 -22.058   4.913
    5   1HB   MET   1          HB2       MET   1  -1.480 -22.226   7.351
    6   2HB   MET   1          HB1       MET   1  -1.583 -20.484   7.143
    7   1HG   MET   1          HG2       MET   1  -2.690 -21.012   4.896
    8   2HG   MET   1          HG1       MET   1  -2.886 -22.644   5.533
    9   1HE   MET   1          HE1       MET   1  -5.272 -22.868   5.471
   10   2HE   MET   1          HE2       MET   1  -6.313 -22.291   6.773
   11   3HE   MET   1          HE3       MET   1  -4.927 -23.317   7.140
   12    H    TYR   2           HN       TYR   2  -1.006 -20.198   3.732
   13    HA   TYR   2           HA       TYR   2   0.847 -17.974   4.065
   14   1HB   TYR   2          HB2       TYR   2  -1.063 -18.676   1.826
   15   2HB   TYR   2          HB1       TYR   2   0.007 -17.278   1.819
   16    HD1  TYR   2           HD1      TYR   2  -0.342 -20.573   0.736
   17    HD2  TYR   2           HD2      TYR   2   2.561 -17.894   2.316
   18    HE1  TYR   2           HE1      TYR   2   1.449 -21.961  -0.218
   19    HE2  TYR   2           HE2      TYR   2   4.361 -19.274   1.367
   20    HH   TYR   2           HH       TYR   2   3.757 -21.787  -0.885
   21    H    GLY   3           HN       GLY   3   0.232 -16.335   5.308
   22   1HA   GLY   3          HA2       GLY   3  -2.101 -14.837   4.770
   23   2HA   GLY   3          HA1       GLY   3  -2.361 -15.825   6.198
   24    H    LYS   4           HN       LYS   4   0.346 -15.687   7.155
   25    HA   LYS   4           HA       LYS   4   0.209 -13.408   8.757
   26   1HB   LYS   4          HB2       LYS   4   1.611 -15.476   9.174
   27   2HB   LYS   4          HB1       LYS   4   2.762 -14.835   8.007
   28   1HG   LYS   4          HG2       LYS   4   3.528 -14.305  10.206
   29   2HG   LYS   4          HG1       LYS   4   2.997 -12.815   9.421
   30   1HD   LYS   4          HD2       LYS   4   0.863 -12.952  10.614
   31   2HD   LYS   4          HD1       LYS   4   1.397 -14.440  11.399
   32   1HE   LYS   4          HE2       LYS   4   3.186 -13.257  12.512
   33   2HE   LYS   4          HE1       LYS   4   2.784 -11.774  11.647
   34   1HZ   LYS   4          HZ1       LYS   4   0.914 -11.439  12.904
   35   2HZ   LYS   4          HZ2       LYS   4   1.929 -12.153  14.053
   36   3HZ   LYS   4          HZ3       LYS   4   0.729 -13.074  13.296
   37    H    LEU   5           HN       LEU   5   1.250 -13.705   5.510
   38    HA   LEU   5           HA       LEU   5   3.107 -11.684   5.269
   39   1HB   LEU   5          HB2       LEU   5   1.803 -13.237   3.502
   40   2HB   LEU   5          HB1       LEU   5   0.943 -11.730   3.243
   41    HG   LEU   5           HG       LEU   5   2.701 -11.819   1.641
   42   1HD1  LEU   5          HD11      LEU   5   3.800  -9.791   2.065
   43   2HD1  LEU   5          HD12      LEU   5   3.798 -10.058   3.810
   44   3HD1  LEU   5          HD13      LEU   5   2.292  -9.680   2.973
   45   1HD2  LEU   5          HD21      LEU   5   4.388 -13.211   2.145
   46   2HD2  LEU   5          HD22      LEU   5   4.206 -12.958   3.881
   47   3HD2  LEU   5          HD23      LEU   5   5.117 -11.801   2.912
   48    H    ASN   6           HN       ASN   6  -0.233 -11.528   6.125
   49    HA   ASN   6           HA       ASN   6  -0.844  -8.910   5.454
   50   1HB   ASN   6          HB2       ASN   6  -2.447  -9.038   7.419
   51   2HB   ASN   6          HB1       ASN   6  -2.642 -10.249   6.157
   52   1HD2  ASN   6          HD21      ASN   6  -3.818 -11.070   8.220
   53   2HD2  ASN   6          HD22      ASN   6  -2.901 -12.168   9.189
   54    H    ASP   7           HN       ASP   7   0.723 -10.230   8.333
   55    HA   ASP   7           HA       ASP   7   0.862  -7.997   9.938
   56   1HB   ASP   7          HB2       ASP   7   1.794 -10.398  10.314
   57   2HB   ASP   7          HB1       ASP   7   3.269  -9.768   9.588
   58    H    LEU   8           HN       LEU   8   2.576  -8.731   7.012
   59    HA   LEU   8           HA       LEU   8   4.415  -6.508   7.251
   60   1HB   LEU   8          HB2       LEU   8   4.937  -8.700   6.100
   61   2HB   LEU   8          HB1       LEU   8   3.834  -8.212   4.829
   62    HG   LEU   8           HG       LEU   8   6.171  -7.818   4.219
   63   1HD1  LEU   8          HD11      LEU   8   4.110  -6.200   3.718
   64   2HD1  LEU   8          HD12      LEU   8   5.736  -5.916   3.099
   65   3HD1  LEU   8          HD13      LEU   8   5.179  -5.062   4.538
   66   1HD2  LEU   8          HD21      LEU   8   7.007  -7.396   6.507
   67   2HD2  LEU   8          HD22      LEU   8   6.209  -5.824   6.476
   68   3HD2  LEU   8          HD23      LEU   8   7.519  -6.170   5.347
   69    H    LEU   9           HN       LEU   9   1.414  -7.319   5.609
   70    HA   LEU   9           HA       LEU   9   1.321  -5.145   3.838
   71   1HB   LEU   9          HB2       LEU   9  -0.634  -7.065   4.965
   72   2HB   LEU   9          HB1       LEU   9  -1.295  -5.584   4.302
   73    HG   LEU   9           HG       LEU   9   0.565  -7.357   2.735
   74   1HD1  LEU   9          HD11      LEU   9  -1.379  -8.674   3.390
   75   2HD1  LEU   9          HD12      LEU   9  -1.415  -8.302   1.666
   76   3HD1  LEU   9          HD13      LEU   9  -2.449  -7.409   2.783
   77   1HD2  LEU   9          HD21      LEU   9  -0.730  -6.195   0.856
   78   2HD2  LEU   9          HD22      LEU   9   0.467  -5.247   1.738
   79   3HD2  LEU   9          HD23      LEU   9  -1.248  -5.056   2.097
   80    H    GLU  10           HN       GLU  10   0.211  -5.523   7.172
   81    HA   GLU  10           HA       GLU  10  -1.277  -3.254   7.552
   82   1HB   GLU  10          HB2       GLU  10  -0.539  -5.188   9.183
   83   2HB   GLU  10          HB1       GLU  10   0.684  -4.023   9.669
   84   1HG   GLU  10          HG2       GLU  10  -1.443  -2.441   9.820
   85   2HG   GLU  10          HG1       GLU  10  -2.245  -3.989  10.082
   86    H    ASP  11           HN       ASP  11   2.257  -3.530   7.705
   87    HA   ASP  11           HA       ASP  11   2.927  -1.021   8.612
   88   1HB   ASP  11          HB2       ASP  11   4.239  -3.003   6.830
   89   2HB   ASP  11          HB1       ASP  11   4.902  -1.372   6.828
   90    H    LEU  12           HN       LEU  12   2.205  -1.975   5.281
   91    HA   LEU  12           HA       LEU  12   2.718   0.435   4.016
   92   1HB   LEU  12          HB2       LEU  12   2.258  -0.917   2.310
   93   2HB   LEU  12          HB1       LEU  12   1.492  -2.071   3.373
   94    HG   LEU  12           HG       LEU  12  -0.239   0.204   2.676
   95   1HD1  LEU  12          HD11      LEU  12   1.227  -1.184   0.583
   96   2HD1  LEU  12          HD12      LEU  12   0.239   0.275   0.505
   97   3HD1  LEU  12          HD13      LEU  12  -0.523  -1.311   0.406
   98   1HD2  LEU  12          HD21      LEU  12  -0.394  -2.695   3.132
   99   2HD2  LEU  12          HD22      LEU  12  -1.514  -2.065   1.928
  100   3HD2  LEU  12          HD23      LEU  12  -1.526  -1.415   3.567
  101    H    GLN  13           HN       GLN  13  -0.467  -0.805   4.988
  102    HA   GLN  13           HA       GLN  13  -1.943   1.456   4.456
  103   1HB   GLN  13          HB2       GLN  13  -2.735  -0.868   5.214
  104   2HB   GLN  13          HB1       GLN  13  -2.503  -0.281   6.856
  105   1HG   GLN  13          HG2       GLN  13  -4.240   1.130   4.854
  106   2HG   GLN  13          HG1       GLN  13  -4.840  -0.131   5.930
  107   1HE2  GLN  13          HE21      GLN  13  -4.540   3.109   5.549
  108   2HE2  GLN  13          HE22      GLN  13  -4.645   3.611   7.199
  109    H    GLU  14           HN       GLU  14  -0.072   0.710   7.364
  110    HA   GLU  14           HA       GLU  14  -0.943   3.059   8.772
  111   1HB   GLU  14          HB2       GLU  14   0.263   0.721   9.537
  112   2HB   GLU  14          HB1       GLU  14   1.613   1.845   9.588
  113   1HG   GLU  14          HG2       GLU  14   0.663   3.123  11.256
  114   2HG   GLU  14          HG1       GLU  14  -0.970   2.560  10.900
  115    H    VAL  15           HN       VAL  15   1.605   2.237   6.566
  116    HA   VAL  15           HA       VAL  15   3.260   4.466   7.127
  117    HB   VAL  15           HB       VAL  15   3.698   2.253   5.722
  118   1HG1  VAL  15          HG11      VAL  15   2.432   4.020   3.769
  119   2HG1  VAL  15          HG12      VAL  15   2.751   2.292   3.700
  120   3HG1  VAL  15          HG13      VAL  15   4.018   3.436   3.278
  121   1HG2  VAL  15          HG21      VAL  15   5.295   3.971   6.535
  122   2HG2  VAL  15          HG22      VAL  15   5.056   4.838   5.016
  123   3HG2  VAL  15          HG23      VAL  15   5.741   3.207   5.011
  124    H    LEU  16           HN       LEU  16   0.376   3.991   5.267
  125    HA   LEU  16           HA       LEU  16   0.552   6.274   3.615
  126   1HB   LEU  16          HB2       LEU  16  -1.700   4.549   4.574
  127   2HB   LEU  16          HB1       LEU  16  -2.056   6.046   3.738
  128    HG   LEU  16           HG       LEU  16  -2.151   4.352   2.098
  129   1HD1  LEU  16          HD11      LEU  16  -0.422   4.935   0.544
  130   2HD1  LEU  16          HD12      LEU  16   0.608   5.527   1.845
  131   3HD1  LEU  16          HD13      LEU  16  -0.885   6.378   1.447
  132   1HD2  LEU  16          HD21      LEU  16  -0.916   2.686   3.516
  133   2HD2  LEU  16          HD22      LEU  16   0.577   3.387   2.898
  134   3HD2  LEU  16          HD23      LEU  16  -0.567   2.628   1.790
  135    H    LYS  17           HN       LYS  17  -0.366   5.767   6.940
  136    HA   LYS  17           HA       LYS  17  -1.851   7.988   7.558
  137   1HB   LYS  17          HB2       LYS  17  -1.264   6.253   9.195
  138   2HB   LYS  17          HB1       LYS  17   0.402   6.818   9.198
  139   1HG   LYS  17          HG2       LYS  17  -1.095   9.086   9.764
  140   2HG   LYS  17          HG1       LYS  17  -1.884   7.793  10.670
  141   1HD   LYS  17          HD2       LYS  17  -0.290   7.952  12.212
  142   2HD   LYS  17          HD1       LYS  17   0.891   7.433  11.008
  143   1HE   LYS  17          HE2       LYS  17   1.602   9.519  11.994
  144   2HE   LYS  17          HE1       LYS  17   1.165   9.781  10.306
  145   1HZ   LYS  17          HZ1       LYS  17  -0.778  10.253  12.482
  146   2HZ   LYS  17          HZ2       LYS  17  -0.792  10.860  10.904
  147   3HZ   LYS  17          HZ3       LYS  17   0.332  11.446  12.024
  148    H    ASN  18           HN       ASN  18   1.612   7.734   7.081
  149    HA   ASN  18           HA       ASN  18   2.171  10.476   7.739
  150   1HB   ASN  18          HB2       ASN  18   3.691   8.143   6.732
  151   2HB   ASN  18          HB1       ASN  18   4.301   9.715   6.224
  152   1HD2  ASN  18          HD21      ASN  18   5.282  11.027   7.681
  153   2HD2  ASN  18          HD22      ASN  18   5.623  10.567   9.311
  154    H    LEU  19           HN       LEU  19   1.815   8.621   4.766
  155    HA   LEU  19           HA       LEU  19   2.433  10.445   2.839
  156   1HB   LEU  19          HB2       LEU  19   1.906   8.550   1.788
  157   2HB   LEU  19          HB1       LEU  19   0.819   8.049   3.060
  158    HG   LEU  19           HG       LEU  19  -0.181  10.117   1.180
  159   1HD1  LEU  19          HD11      LEU  19   0.541   8.836  -0.559
  160   2HD1  LEU  19          HD12      LEU  19  -0.944   7.969  -0.181
  161   3HD1  LEU  19          HD13      LEU  19   0.605   7.365   0.405
  162   1HD2  LEU  19          HD21      LEU  19  -1.823   9.578   2.652
  163   2HD2  LEU  19          HD22      LEU  19  -1.222   7.937   2.891
  164   3HD2  LEU  19          HD23      LEU  19  -2.125   8.340   1.433
  165    H    HIS  20           HN       HIS  20  -0.648  10.178   4.571
  166    HA   HIS  20           HA       HIS  20  -2.216  11.944   3.180
  167   1HB   HIS  20          HB2       HIS  20  -2.048  11.679   6.190
  168   2HB   HIS  20          HB1       HIS  20  -3.393  12.386   5.301
  169    HD1  HIS  20           HD1      HIS  20  -2.430   9.382   6.880
  170    HD2  HIS  20           HD2      HIS  20  -4.528  10.304   3.435
  171    HE1  HIS  20           HE1      HIS  20  -3.735   7.304   6.322
  172    HE2  HIS  20           HE2      HIS  20  -4.920   7.854   4.166
  173    H    LYS  21           HN       LYS  21   0.243  12.709   5.591
  174    HA   LYS  21           HA       LYS  21  -0.301  15.550   5.391
  175   1HB   LYS  21          HB2       LYS  21   1.956  14.294   6.922
  176   2HB   LYS  21          HB1       LYS  21   1.127  15.815   7.238
  177   1HG   LYS  21          HG2       LYS  21  -0.150  13.103   7.468
  178   2HG   LYS  21          HG1       LYS  21   0.554  13.997   8.819
  179   1HD   LYS  21          HD2       LYS  21  -1.689  14.572   8.971
  180   2HD   LYS  21          HD1       LYS  21  -1.022  15.914   8.041
  181   1HE   LYS  21          HE2       LYS  21  -2.082  15.286   6.114
  182   2HE   LYS  21          HE1       LYS  21  -2.028  13.575   6.524
  183   1HZ   LYS  21          HZ1       LYS  21  -4.204  13.902   6.896
  184   2HZ   LYS  21          HZ2       LYS  21  -4.039  15.564   7.157
  185   3HZ   LYS  21          HZ3       LYS  21  -3.681  14.475   8.400
  186    H    ASN  22           HN       ASN  22   1.305  13.622   3.342
  187    HA   ASN  22           HA       ASN  22   3.106  15.807   2.612
  188   1HB   ASN  22          HB2       ASN  22   3.945  12.955   3.059
  189   2HB   ASN  22          HB1       ASN  22   4.895  14.076   2.094
  190   1HD2  ASN  22          HD21      ASN  22   6.577  14.706   3.227
  191   2HD2  ASN  22          HD22      ASN  22   6.567  15.188   4.886
  192    H    TRP  23           HN       TRP  23   0.656  13.931   1.615
  193    HA   TRP  23           HA       TRP  23   1.678  13.230  -0.987
  194   1HB   TRP  23          HB2       TRP  23  -0.147  11.928  -1.171
  195   2HB   TRP  23          HB1       TRP  23  -0.361  12.246   0.543
  196    HD1  TRP  23           HD1      TRP  23  -2.604  13.255   1.197
  197    HE1  TRP  23           HE1      TRP  23  -4.568  14.343  -0.027
  198    HE3  TRP  23           HE3      TRP  23  -0.565  13.422  -3.426
  199    HZ2  TRP  23           HZ2      TRP  23  -5.178  15.144  -2.701
  200    HZ3  TRP  23           HZ3      TRP  23  -1.873  14.328  -5.275
  201    HH2  TRP  23           HH2      TRP  23  -4.141  15.184  -4.931
  202    H    HIS  24           HN       HIS  24  -0.734  15.561   0.233
  203    HA   HIS  24           HA       HIS  24   0.079  17.662  -1.399
  204   1HB   HIS  24          HB2       HIS  24  -0.810  16.103  -3.198
  205   2HB   HIS  24          HB1       HIS  24  -2.408  16.379  -2.519
  206    HD1  HIS  24           HD1      HIS  24  -2.047  17.229  -5.354
  207    HD2  HIS  24           HD2      HIS  24  -1.162  19.728  -2.154
  208    HE1  HIS  24           HE1      HIS  24  -2.151  19.566  -6.278
  209    HE2  HIS  24           HE2      HIS  24  -1.693  21.064  -4.305
  210    H    GLY  25           HN       GLY  25  -0.455  17.859   1.093
  211   1HA   GLY  25          HA2       GLY  25  -1.730  19.733   2.059
  212   2HA   GLY  25          HA1       GLY  25  -3.147  19.065   1.264
  213    H    GLY  26           HN       GLY  26  -4.369  17.592   2.326
  214   1HA   GLY  26          HA2       GLY  26  -3.250  16.464   4.802
  215   2HA   GLY  26          HA1       GLY  26  -4.862  17.165   4.757
  216    H    LYS  27           HN       LYS  27  -5.927  15.319   5.298
  217    HA   LYS  27           HA       LYS  27  -5.582  12.947   3.641
  218   1HB   LYS  27          HB2       LYS  27  -5.704  12.777   6.135
  219   2HB   LYS  27          HB1       LYS  27  -7.382  13.295   6.035
  220   1HG   LYS  27          HG2       LYS  27  -7.509  11.271   4.329
  221   2HG   LYS  27          HG1       LYS  27  -6.143  10.712   5.293
  222   1HD   LYS  27          HD2       LYS  27  -8.621  11.688   6.649
  223   2HD   LYS  27          HD1       LYS  27  -8.567  10.054   5.982
  224   1HE   LYS  27          HE2       LYS  27  -7.734   9.531   8.008
  225   2HE   LYS  27          HE1       LYS  27  -6.222  10.114   7.314
  226   1HZ   LYS  27          HZ1       LYS  27  -8.109  11.723   8.949
  227   2HZ   LYS  27          HZ2       LYS  27  -6.660  12.286   8.282
  228   3HZ   LYS  27          HZ3       LYS  27  -6.631  11.093   9.480
  229    H    ASP  28           HN       ASP  28  -7.594  15.677   3.769
  230    HA   ASP  28           HA       ASP  28 -10.095  14.763   3.129
  231   1HB   ASP  28          HB2       ASP  28 -10.211  16.909   1.652
  232   2HB   ASP  28          HB1       ASP  28  -9.978  17.069   3.390
  233    H    ASN  29           HN       ASN  29  -7.698  15.711   0.649
  234    HA   ASN  29           HA       ASN  29  -9.213  14.376  -1.395
  235   1HB   ASN  29          HB2       ASN  29  -6.549  15.785  -1.371
  236   2HB   ASN  29          HB1       ASN  29  -7.135  14.934  -2.797
  237   1HD2  ASN  29          HD21      ASN  29  -6.940  17.864  -1.382
  238   2HD2  ASN  29          HD22      ASN  29  -8.282  18.651  -2.134
  239    H    LEU  30           HN       LEU  30  -6.541  13.574   0.685
  240    HA   LEU  30           HA       LEU  30  -5.571  11.361  -0.815
  241   1HB   LEU  30          HB2       LEU  30  -4.467  12.624   1.161
  242   2HB   LEU  30          HB1       LEU  30  -5.423  11.575   2.176
  243    HG   LEU  30           HG       LEU  30  -3.121  10.762   1.906
  244   1HD1  LEU  30          HD11      LEU  30  -4.469   8.642   0.473
  245   2HD1  LEU  30          HD12      LEU  30  -5.458   9.316   1.765
  246   3HD1  LEU  30          HD13      LEU  30  -3.859   8.683   2.121
  247   1HD2  LEU  30          HD21      LEU  30  -3.519  11.393  -0.824
  248   2HD2  LEU  30          HD22      LEU  30  -3.269   9.650  -0.715
  249   3HD2  LEU  30          HD23      LEU  30  -2.068  10.754  -0.049
  250    H    HIS  31           HN       HIS  31  -8.153  11.863   1.485
  251    HA   HIS  31           HA       HIS  31  -8.737   9.363   2.402
  252   1HB   HIS  31          HB2       HIS  31 -10.021  11.725   2.513
  253   2HB   HIS  31          HB1       HIS  31 -11.063  10.890   1.368
  254    HD1  HIS  31           HD1      HIS  31 -12.348   8.795   2.250
  255    HD2  HIS  31           HD2      HIS  31 -10.190  10.849   5.143
  256    HE1  HIS  31           HE1      HIS  31 -13.189   7.930   4.455
  257    HE2  HIS  31           HE2      HIS  31 -11.943   9.264   6.192
  258    H    ASP  32           HN       ASP  32 -10.063  10.725  -0.622
  259    HA   ASP  32           HA       ASP  32 -11.256   8.363  -1.516
  260   1HB   ASP  32          HB2       ASP  32 -10.545  10.964  -2.684
  261   2HB   ASP  32          HB1       ASP  32 -10.602   9.645  -3.850
  262    H    VAL  33           HN       VAL  33  -7.964   9.302  -1.449
  263    HA   VAL  33           HA       VAL  33  -7.136   7.371  -3.446
  264    HB   VAL  33           HB       VAL  33  -5.862   9.566  -1.949
  265   1HG1  VAL  33          HG11      VAL  33  -3.574   8.688  -2.549
  266   2HG1  VAL  33          HG12      VAL  33  -4.332   7.111  -2.756
  267   3HG1  VAL  33          HG13      VAL  33  -4.358   7.897  -1.184
  268   1HG2  VAL  33          HG21      VAL  33  -5.487   8.434  -4.706
  269   2HG2  VAL  33          HG22      VAL  33  -4.815   9.956  -4.109
  270   3HG2  VAL  33          HG23      VAL  33  -6.562   9.763  -4.269
  271    H    ASP  34           HN       ASP  34  -6.185   7.914  -0.026
  272    HA   ASP  34           HA       ASP  34  -5.129   5.338   0.295
  273   1HB   ASP  34          HB2       ASP  34  -4.395   6.788   1.947
  274   2HB   ASP  34          HB1       ASP  34  -6.001   7.471   2.208
  275    H    ASN  35           HN       ASN  35  -8.394   6.468   0.203
  276    HA   ASN  35           HA       ASN  35  -9.649   4.437   1.703
  277   1HB   ASN  35          HB2       ASN  35 -10.502   6.281  -0.487
  278   2HB   ASN  35          HB1       ASN  35 -11.507   4.869  -0.181
  279   1HD2  ASN  35          HD21      ASN  35 -13.243   5.893   0.660
  280   2HD2  ASN  35          HD22      ASN  35 -13.220   6.772   2.147
  281    H    HIS  36           HN       HIS  36  -8.504   4.675  -1.598
  282    HA   HIS  36           HA       HIS  36  -9.422   2.163  -2.524
  283   1HB   HIS  36          HB2       HIS  36  -7.660   4.298  -3.459
  284   2HB   HIS  36          HB1       HIS  36  -7.042   2.703  -3.884
  285    HD1  HIS  36           HD1      HIS  36  -8.799   1.153  -5.252
  286    HD2  HIS  36           HD2      HIS  36  -9.631   5.221  -5.090
  287    HE1  HIS  36           HE1      HIS  36 -10.451   1.575  -7.100
  288    HE2  HIS  36           HE2      HIS  36 -11.012   4.025  -6.921
  289    H    LEU  37           HN       LEU  37  -6.297   3.292  -1.267
  290    HA   LEU  37           HA       LEU  37  -4.951   0.848  -1.198
  291   1HB   LEU  37          HB2       LEU  37  -4.111   3.225  -0.684
  292   2HB   LEU  37          HB1       LEU  37  -4.674   2.939   0.946
  293    HG   LEU  37           HG       LEU  37  -2.554   2.283   1.278
  294   1HD1  LEU  37          HD11      LEU  37  -3.734   0.212   1.610
  295   2HD1  LEU  37          HD12      LEU  37  -2.157  -0.123   0.895
  296   3HD1  LEU  37          HD13      LEU  37  -3.608  -0.175  -0.106
  297   1HD2  LEU  37          HD21      LEU  37  -1.293   2.798  -0.495
  298   2HD2  LEU  37          HD22      LEU  37  -2.504   2.229  -1.643
  299   3HD2  LEU  37          HD23      LEU  37  -1.405   1.081  -0.879
  300    H    GLN  38           HN       GLN  38  -6.383   2.441   1.649
  301    HA   GLN  38           HA       GLN  38  -6.277   0.369   3.428
  302   1HB   GLN  38          HB2       GLN  38  -7.335   2.884   3.461
  303   2HB   GLN  38          HB1       GLN  38  -8.789   1.901   3.564
  304   1HG   GLN  38          HG2       GLN  38  -8.057   0.866   5.562
  305   2HG   GLN  38          HG1       GLN  38  -6.431   1.526   5.386
  306   1HE2  GLN  38          HE21      GLN  38  -9.702   2.165   6.322
  307   2HE2  GLN  38          HE22      GLN  38  -9.414   3.701   7.059
  308    H    ASN  39           HN       ASN  39  -8.834   0.997   1.049
  309    HA   ASN  39           HA       ASN  39 -10.495  -1.153   1.863
  310   1HB   ASN  39          HB2       ASN  39 -10.308   0.454  -0.683
  311   2HB   ASN  39          HB1       ASN  39 -11.447  -0.877  -0.511
  312   1HD2  ASN  39          HD21      ASN  39 -12.551   1.431  -1.037
  313   2HD2  ASN  39          HD22      ASN  39 -13.288   2.140   0.356
  314    H    VAL  40           HN       VAL  40  -7.646  -0.963  -0.103
  315    HA   VAL  40           HA       VAL  40  -8.066  -3.463  -1.434
  316    HB   VAL  40           HB       VAL  40  -5.552  -1.824  -1.077
  317   1HG1  VAL  40          HG11      VAL  40  -4.329  -3.383  -2.105
  318   2HG1  VAL  40          HG12      VAL  40  -5.583  -3.695  -3.303
  319   3HG1  VAL  40          HG13      VAL  40  -5.643  -4.499  -1.736
  320   1HG2  VAL  40          HG21      VAL  40  -7.790  -1.391  -2.681
  321   2HG2  VAL  40          HG22      VAL  40  -6.566  -2.054  -3.765
  322   3HG2  VAL  40          HG23      VAL  40  -6.215  -0.609  -2.816
  323    H    ILE  41           HN       ILE  41  -6.327  -2.371   1.443
  324    HA   ILE  41           HA       ILE  41  -4.821  -4.526   2.122
  325    HB   ILE  41           HB       ILE  41  -5.274  -2.338   3.444
  326   1HG1  ILE  41          HG12      ILE  41  -4.434  -3.430   5.533
  327   2HG1  ILE  41          HG11      ILE  41  -4.742  -4.992   4.784
  328   1HG2  ILE  41          HG21      ILE  41  -6.942  -4.007   5.244
  329   2HG2  ILE  41          HG22      ILE  41  -7.722  -3.260   3.852
  330   3HG2  ILE  41          HG23      ILE  41  -6.896  -2.256   5.040
  331   1HD1  ILE  41          HD11      ILE  41  -2.365  -3.895   4.727
  332   2HD1  ILE  41          HD12      ILE  41  -3.036  -3.039   3.338
  333   3HD1  ILE  41          HD13      ILE  41  -2.983  -4.802   3.346
  334    H    GLU  42           HN       GLU  42  -8.322  -4.277   2.322
  335    HA   GLU  42           HA       GLU  42  -8.635  -6.786   3.695
  336   1HB   GLU  42          HB2       GLU  42 -10.872  -6.294   3.778
  337   2HB   GLU  42          HB1       GLU  42 -10.253  -4.672   3.504
  338   1HG   GLU  42          HG2       GLU  42 -10.690  -4.955   1.090
  339   2HG   GLU  42          HG1       GLU  42 -11.405  -6.529   1.434
  340    H    ASP  43           HN       ASP  43  -8.825  -5.673   0.346
  341    HA   ASP  43           HA       ASP  43  -9.722  -8.120  -0.716
  342   1HB   ASP  43          HB2       ASP  43  -9.210  -7.256  -2.859
  343   2HB   ASP  43          HB1       ASP  43  -9.681  -5.864  -1.900
  344    H    ILE  44           HN       ILE  44  -6.595  -6.964   0.289
  345    HA   ILE  44           HA       ILE  44  -5.211  -9.252  -0.849
  346    HB   ILE  44           HB       ILE  44  -3.888  -7.449   1.128
  347   1HG1  ILE  44          HG12      ILE  44  -4.373  -6.714  -1.770
  348   2HG1  ILE  44          HG11      ILE  44  -5.086  -5.907  -0.379
  349   1HG2  ILE  44          HG21      ILE  44  -2.750  -9.416   0.154
  350   2HG2  ILE  44          HG22      ILE  44  -1.940  -7.893  -0.212
  351   3HG2  ILE  44          HG23      ILE  44  -2.924  -8.685  -1.444
  352   1HD1  ILE  44          HD11      ILE  44  -2.547  -5.619   0.291
  353   2HD1  ILE  44          HD12      ILE  44  -3.369  -4.492  -0.789
  354   3HD1  ILE  44          HD13      ILE  44  -2.337  -5.759  -1.454
  355    H    HIS  45           HN       HIS  45  -6.226  -8.014   2.307
  356    HA   HIS  45           HA       HIS  45  -5.009  -9.966   3.906
  357   1HB   HIS  45          HB2       HIS  45  -7.373  -8.163   4.263
  358   2HB   HIS  45          HB1       HIS  45  -7.055  -9.420   5.456
  359    HD1  HIS  45           HD1      HIS  45  -6.676  -7.218   7.027
  360    HD2  HIS  45           HD2      HIS  45  -3.808  -8.005   4.126
  361    HE1  HIS  45           HE1      HIS  45  -4.646  -5.903   7.720
  362    HE2  HIS  45           HE2      HIS  45  -2.891  -6.470   6.002
  363    H    ASP  46           HN       ASP  46  -8.125  -9.927   2.249
  364    HA   ASP  46           HA       ASP  46  -8.819 -12.560   3.238
  365   1HB   ASP  46          HB2       ASP  46 -10.442 -10.615   2.621
  366   2HB   ASP  46          HB1       ASP  46 -10.214 -11.170   0.965
  367    H    PHE  47           HN       PHE  47  -6.854 -11.297   0.846
  368    HA   PHE  47           HA       PHE  47  -7.254 -13.447  -1.076
  369   1HB   PHE  47          HB2       PHE  47  -6.594 -11.807  -2.445
  370   2HB   PHE  47          HB1       PHE  47  -6.072 -10.820  -1.094
  371    HD1  PHE  47           HD1      PHE  47  -3.719 -11.464  -0.088
  372    HD2  PHE  47           HD2      PHE  47  -5.049 -12.492  -3.992
  373    HE1  PHE  47           HE1      PHE  47  -1.385 -11.710  -0.808
  374    HE2  PHE  47           HE2      PHE  47  -2.714 -12.744  -4.722
  375    HZ   PHE  47           HZ       PHE  47  -0.879 -12.352  -3.129
  376    H    MET  48           HN       MET  48  -4.906 -12.470   1.351
  377    HA   MET  48           HA       MET  48  -2.765 -14.082   0.776
  378   1HB   MET  48          HB2       MET  48  -2.159 -13.946   3.088
  379   2HB   MET  48          HB1       MET  48  -2.928 -12.429   2.646
  380   1HG   MET  48          HG2       MET  48  -5.080 -13.618   3.555
  381   2HG   MET  48          HG1       MET  48  -3.907 -14.604   4.423
  382   1HE   MET  48          HE1       MET  48  -5.889 -13.388   6.024
  383   2HE   MET  48          HE2       MET  48  -5.276 -12.165   7.138
  384   3HE   MET  48          HE3       MET  48  -4.492 -13.741   7.041
  385    H    GLN  49           HN       GLN  49  -5.878 -15.023   2.019
  386    HA   GLN  49           HA       GLN  49  -5.041 -17.648   2.829
  387   1HB   GLN  49          HB2       GLN  49  -7.077 -16.179   3.636
  388   2HB   GLN  49          HB1       GLN  49  -7.902 -16.971   2.301
  389   1HG   GLN  49          HG2       GLN  49  -6.518 -18.957   3.778
  390   2HG   GLN  49          HG1       GLN  49  -7.409 -17.946   4.914
  391   1HE2  GLN  49          HE21      GLN  49  -7.962 -20.656   4.391
  392   2HE2  GLN  49          HE22      GLN  49  -9.535 -20.756   3.682
  393    H    GLY  50           HN       GLY  50  -6.056 -16.188  -0.112
  394   1HA   GLY  50          HA2       GLY  50  -5.490 -17.498  -2.123
  395   2HA   GLY  50          HA1       GLY  50  -6.235 -18.876  -1.330
  396    H    GLY  51           HN       GLY  51  -8.225 -16.462  -0.476
  397   1HA   GLY  51          HA2       GLY  51 -10.399 -17.232  -1.975
  398   2HA   GLY  51          HA1       GLY  51 -10.222 -15.629  -1.273
  399    H    GLY  52           HN       GLY  52  -7.811 -15.101  -2.888
  400   1HA   GLY  52          HA2       GLY  52  -8.708 -15.148  -5.643
  401   2HA   GLY  52          HA1       GLY  52  -8.689 -13.554  -4.897
  402    H    SER  53           HN       SER  53  -6.406 -16.003  -3.985
  403    HA   SER  53           HA       SER  53  -4.199 -14.319  -4.623
  404   1HB   SER  53          HB2       SER  53  -2.845 -15.936  -3.559
  405   2HB   SER  53          HB1       SER  53  -4.376 -15.995  -2.685
  406    HG   SER  53           HG       SER  53  -3.343 -17.813  -4.581
  407    H    GLY  54           HN       GLY  54  -2.539 -14.658  -6.093
  408   1HA   GLY  54          HA2       GLY  54  -1.525 -15.412  -8.021
  409   2HA   GLY  54          HA1       GLY  54  -2.581 -16.815  -7.974
  410    H    GLY  55           HN       GLY  55  -3.144 -13.299  -8.340
  411   1HA   GLY  55          HA2       GLY  55  -3.694 -13.156 -11.000
  412   2HA   GLY  55          HA1       GLY  55  -5.177 -13.805 -10.319
  413    H    LYS  56           HN       LYS  56  -5.016 -12.299  -7.837
  414    HA   LYS  56           HA       LYS  56  -6.043  -9.785  -8.878
  415   1HB   LYS  56          HB2       LYS  56  -6.985  -9.430  -6.709
  416   2HB   LYS  56          HB1       LYS  56  -7.282 -11.104  -7.156
  417   1HG   LYS  56          HG2       LYS  56  -6.591 -11.435  -5.030
  418   2HG   LYS  56          HG1       LYS  56  -5.012 -11.455  -5.819
  419   1HD   LYS  56          HD2       LYS  56  -4.593  -9.968  -4.126
  420   2HD   LYS  56          HD1       LYS  56  -5.148  -8.854  -5.378
  421   1HE   LYS  56          HE2       LYS  56  -6.692  -9.939  -3.044
  422   2HE   LYS  56          HE1       LYS  56  -6.271  -8.262  -3.378
  423   1HZ   LYS  56          HZ1       LYS  56  -8.102  -9.918  -5.030
  424   2HZ   LYS  56          HZ2       LYS  56  -7.745  -8.282  -5.268
  425   3HZ   LYS  56          HZ3       LYS  56  -8.596  -8.770  -3.892
  426    H    LEU  57           HN       LEU  57  -3.417 -10.887  -6.793
  427    HA   LEU  57           HA       LEU  57  -2.597  -8.366  -5.912
  428   1HB   LEU  57          HB2       LEU  57  -1.783 -10.365  -4.864
  429   2HB   LEU  57          HB1       LEU  57  -0.995 -10.875  -6.344
  430    HG   LEU  57           HG       LEU  57   0.577  -9.020  -6.177
  431   1HD1  LEU  57          HD11      LEU  57   0.590  -7.485  -4.364
  432   2HD1  LEU  57          HD12      LEU  57  -0.707  -8.350  -3.540
  433   3HD1  LEU  57          HD13      LEU  57  -1.041  -7.480  -5.038
  434   1HD2  LEU  57          HD21      LEU  57   1.922 -10.004  -4.624
  435   2HD2  LEU  57          HD22      LEU  57   0.721 -11.279  -4.819
  436   3HD2  LEU  57          HD23      LEU  57   0.626 -10.181  -3.442
  437    H    GLN  58           HN       GLN  58  -2.522  -9.577  -9.076
  438    HA   GLN  58           HA       GLN  58  -0.162  -8.083  -9.831
  439   1HB   GLN  58          HB2       GLN  58  -0.364  -9.031 -11.971
  440   2HB   GLN  58          HB1       GLN  58  -0.896 -10.304 -10.882
  441   1HG   GLN  58          HG2       GLN  58  -3.245  -9.621 -11.348
  442   2HG   GLN  58          HG1       GLN  58  -2.624  -8.505 -12.563
  443   1HE2  GLN  58          HE21      GLN  58  -2.265 -11.910 -11.617
  444   2HE2  GLN  58          HE22      GLN  58  -2.312 -12.539 -13.225
  445    H    GLU  59           HN       GLU  59  -3.651  -7.914 -10.482
  446    HA   GLU  59           HA       GLU  59  -3.334  -5.288 -11.690
  447   1HB   GLU  59          HB2       GLU  59  -5.708  -7.099 -11.264
  448   2HB   GLU  59          HB1       GLU  59  -5.879  -5.456 -11.865
  449   1HG   GLU  59          HG2       GLU  59  -3.930  -6.542 -13.489
  450   2HG   GLU  59          HG1       GLU  59  -5.063  -7.870 -13.245
  451    H    MET  60           HN       MET  60  -4.316  -6.740  -8.697
  452    HA   MET  60           HA       MET  60  -5.569  -4.389  -7.639
  453   1HB   MET  60          HB2       MET  60  -5.939  -6.870  -6.966
  454   2HB   MET  60          HB1       MET  60  -4.519  -6.640  -5.954
  455   1HG   MET  60          HG2       MET  60  -6.023  -6.030  -4.416
  456   2HG   MET  60          HG1       MET  60  -5.961  -4.478  -5.253
  457   1HE   MET  60          HE1       MET  60  -9.073  -4.662  -7.588
  458   2HE   MET  60          HE2       MET  60  -7.613  -5.525  -8.071
  459   3HE   MET  60          HE3       MET  60  -7.488  -3.943  -7.302
  460    H    MET  61           HN       MET  61  -2.340  -5.820  -7.544
  461    HA   MET  61           HA       MET  61  -1.250  -4.384  -5.417
  462   1HB   MET  61          HB2       MET  61   0.932  -4.567  -6.608
  463   2HB   MET  61          HB1       MET  61   0.062  -6.088  -6.501
  464   1HG   MET  61          HG2       MET  61   0.574  -6.239  -8.678
  465   2HG   MET  61          HG1       MET  61  -0.828  -5.189  -8.874
  466   1HE   MET  61          HE1       MET  61   1.715  -5.947 -10.503
  467   2HE   MET  61          HE2       MET  61   3.165  -5.237  -9.796
  468   3HE   MET  61          HE3       MET  61   2.418  -4.492 -11.209
  469    H    LYS  62           HN       LYS  62  -1.711  -3.413  -8.790
  470    HA   LYS  62           HA       LYS  62  -0.353  -0.978  -8.725
  471   1HB   LYS  62          HB2       LYS  62  -2.516  -2.150 -10.389
  472   2HB   LYS  62          HB1       LYS  62  -2.304  -0.407 -10.476
  473   1HG   LYS  62          HG2       LYS  62   0.124  -2.081 -10.734
  474   2HG   LYS  62          HG1       LYS  62  -1.020  -2.087 -12.078
  475   1HD   LYS  62          HD2       LYS  62  -0.806   0.241 -12.400
  476   2HD   LYS  62          HD1       LYS  62   0.001   0.459 -10.846
  477   1HE   LYS  62          HE2       LYS  62   1.906  -0.871 -11.700
  478   2HE   LYS  62          HE1       LYS  62   1.106  -0.959 -13.268
  479   1HZ   LYS  62          HZ1       LYS  62   2.868   0.919 -12.630
  480   2HZ   LYS  62          HZ2       LYS  62   1.448   1.705 -12.153
  481   3HZ   LYS  62          HZ3       LYS  62   1.621   1.166 -13.748
  482    H    GLU  63           HN       GLU  63  -3.390  -1.889  -7.340
  483    HA   GLU  63           HA       GLU  63  -4.523   0.701  -7.136
  484   1HB   GLU  63          HB2       GLU  63  -5.370  -1.881  -6.579
  485   2HB   GLU  63          HB1       GLU  63  -5.320  -1.107  -5.001
  486   1HG   GLU  63          HG2       GLU  63  -7.161   0.038  -5.416
  487   2HG   GLU  63          HG1       GLU  63  -6.521   0.630  -6.949
  488    H    PHE  64           HN       PHE  64  -2.537  -1.236  -4.917
  489    HA   PHE  64           HA       PHE  64  -2.666   0.666  -2.809
  490   1HB   PHE  64          HB2       PHE  64  -1.086  -0.701  -1.667
  491   2HB   PHE  64          HB1       PHE  64  -2.103  -1.805  -2.586
  492    HD1  PHE  64           HD1      PHE  64   1.107   0.082  -3.032
  493    HD2  PHE  64           HD2      PHE  64  -1.086  -3.511  -3.663
  494    HE1  PHE  64           HE1      PHE  64   3.092  -0.948  -4.050
  495    HE2  PHE  64           HE2      PHE  64   0.897  -4.546  -4.677
  496    HZ   PHE  64           HZ       PHE  64   2.987  -3.264  -4.878
  497    H    GLN  65           HN       GLN  65  -0.663   0.263  -5.604
  498    HA   GLN  65           HA       GLN  65   1.329   2.164  -4.721
  499   1HB   GLN  65          HB2       GLN  65   1.776   0.195  -6.265
  500   2HB   GLN  65          HB1       GLN  65   0.938   1.097  -7.520
  501   1HG   GLN  65          HG2       GLN  65   2.590   2.722  -7.633
  502   2HG   GLN  65          HG1       GLN  65   3.238   2.311  -6.047
  503   1HE2  GLN  65          HE21      GLN  65   4.281   2.423  -8.936
  504   2HE2  GLN  65          HE22      GLN  65   5.162   0.946  -9.096
  505    H    GLN  66           HN       GLN  66  -1.583   2.132  -6.648
  506    HA   GLN  66           HA       GLN  66  -1.307   4.494  -8.088
  507   1HB   GLN  66          HB2       GLN  66  -3.322   2.629  -7.677
  508   2HB   GLN  66          HB1       GLN  66  -4.009   4.121  -7.053
  509   1HG   GLN  66          HG2       GLN  66  -4.651   4.327  -9.207
  510   2HG   GLN  66          HG1       GLN  66  -3.056   5.067  -9.340
  511   1HE2  GLN  66          HE21      GLN  66  -1.372   2.988  -9.391
  512   2HE2  GLN  66          HE22      GLN  66  -1.676   1.979 -10.759
  513    H    VAL  67           HN       VAL  67  -2.401   3.972  -4.767
  514    HA   VAL  67           HA       VAL  67  -3.252   6.565  -4.158
  515    HB   VAL  67           HB       VAL  67  -2.057   4.355  -2.493
  516   1HG1  VAL  67          HG11      VAL  67  -1.535   5.762  -0.856
  517   2HG1  VAL  67          HG12      VAL  67  -3.252   6.130  -0.706
  518   3HG1  VAL  67          HG13      VAL  67  -2.222   7.131  -1.726
  519   1HG2  VAL  67          HG21      VAL  67  -4.569   4.932  -1.557
  520   2HG2  VAL  67          HG22      VAL  67  -4.162   3.657  -2.705
  521   3HG2  VAL  67          HG23      VAL  67  -4.718   5.224  -3.289
  522    H    LEU  68           HN       LEU  68  -0.044   5.088  -3.784
  523    HA   LEU  68           HA       LEU  68   1.269   7.399  -2.830
  524   1HB   LEU  68          HB2       LEU  68   2.040   4.758  -3.888
  525   2HB   LEU  68          HB1       LEU  68   3.252   6.022  -4.024
  526    HG   LEU  68           HG       LEU  68   2.404   6.345  -1.442
  527   1HD1  LEU  68          HD11      LEU  68   1.378   4.524  -0.698
  528   2HD1  LEU  68          HD12      LEU  68   2.861   3.617  -1.001
  529   3HD1  LEU  68          HD13      LEU  68   1.612   3.701  -2.243
  530   1HD2  LEU  68          HD21      LEU  68   4.626   6.292  -1.330
  531   2HD2  LEU  68          HD22      LEU  68   4.733   5.414  -2.853
  532   3HD2  LEU  68          HD23      LEU  68   4.549   4.531  -1.338
  533    H    ASP  69           HN       ASP  69   0.077   6.598  -5.937
  534    HA   ASP  69           HA       ASP  69   1.927   8.012  -7.550
  535   1HB   ASP  69          HB2       ASP  69  -0.159   6.386  -8.103
  536   2HB   ASP  69          HB1       ASP  69  -0.919   7.949  -8.390
  537    H    GLU  70           HN       GLU  70  -1.362   8.924  -6.500
  538    HA   GLU  70           HA       GLU  70  -1.353  11.598  -7.244
  539   1HB   GLU  70          HB2       GLU  70  -3.165  10.052  -6.046
  540   2HB   GLU  70          HB1       GLU  70  -2.530  10.824  -4.595
  541   1HG   GLU  70          HG2       GLU  70  -4.042  12.387  -4.978
  542   2HG   GLU  70          HG1       GLU  70  -2.949  12.955  -6.241
  543    H    LEU  71           HN       LEU  71  -0.054   9.982  -4.482
  544    HA   LEU  71           HA       LEU  71   0.669  12.222  -2.930
  545   1HB   LEU  71          HB2       LEU  71   0.305  10.208  -1.838
  546   2HB   LEU  71          HB1       LEU  71   1.273   9.306  -2.978
  547    HG   LEU  71           HG       LEU  71   3.139  10.958  -1.829
  548   1HD1  LEU  71          HD11      LEU  71   2.338  10.088   0.669
  549   2HD1  LEU  71          HD12      LEU  71   0.862  10.728  -0.049
  550   3HD1  LEU  71          HD13      LEU  71   2.290  11.751   0.079
  551   1HD2  LEU  71          HD21      LEU  71   3.604   8.831  -0.453
  552   2HD2  LEU  71          HD22      LEU  71   3.637   8.711  -2.214
  553   3HD2  LEU  71          HD23      LEU  71   2.229   8.155  -1.317
  554    H    ASN  72           HN       ASN  72   2.873   9.853  -4.419
  555    HA   ASN  72           HA       ASN  72   5.197  11.297  -4.169
  556   1HB   ASN  72          HB2       ASN  72   4.316   9.017  -5.748
  557   2HB   ASN  72          HB1       ASN  72   5.542   9.962  -6.584
  558   1HD2  ASN  72          HD21      ASN  72   5.446   7.281  -5.133
  559   2HD2  ASN  72          HD22      ASN  72   6.840   7.322  -4.115
  560    H    ASN  73           HN       ASN  73   2.632  11.780  -6.452
  561    HA   ASN  73           HA       ASN  73   4.246  13.503  -8.140
  562   1HB   ASN  73          HB2       ASN  73   2.524  11.999  -9.115
  563   2HB   ASN  73          HB1       ASN  73   1.281  12.922  -8.277
  564   1HD2  ASN  73          HD21      ASN  73   3.620  12.931 -10.844
  565   2HD2  ASN  73          HD22      ASN  73   3.016  14.327 -11.663
  566    H    HIS  74           HN       HIS  74   3.152  14.021  -5.184
  567    HA   HIS  74           HA       HIS  74   2.839  16.869  -5.644
  568   1HB   HIS  74          HB2       HIS  74   0.613  15.161  -4.559
  569   2HB   HIS  74          HB1       HIS  74   0.737  16.873  -4.172
  570    HD1  HIS  74           HD1      HIS  74   0.767  18.494  -6.374
  571    HD2  HIS  74           HD2      HIS  74  -0.703  14.639  -6.874
  572    HE1  HIS  74           HE1      HIS  74  -0.563  18.552  -8.508
  573    HE2  HIS  74           HE2      HIS  74  -1.386  16.192  -8.826
  574    H    LEU  75           HN       LEU  75   4.748  15.084  -4.246
  575    HA   LEU  75           HA       LEU  75   4.528  15.124  -1.481
  576   1HB   LEU  75          HB2       LEU  75   6.681  14.984  -3.420
  577   2HB   LEU  75          HB1       LEU  75   7.166  15.898  -2.006
  578    HG   LEU  75           HG       LEU  75   7.821  13.737  -1.507
  579   1HD1  LEU  75          HD11      LEU  75   5.163  13.420  -0.266
  580   2HD1  LEU  75          HD12      LEU  75   6.045  14.903   0.098
  581   3HD1  LEU  75          HD13      LEU  75   6.769  13.335   0.456
  582   1HD2  LEU  75          HD21      LEU  75   6.644  11.745  -1.991
  583   2HD2  LEU  75          HD22      LEU  75   6.554  12.745  -3.442
  584   3HD2  LEU  75          HD23      LEU  75   5.165  12.630  -2.361
  585    H    GLN  76           HN       GLN  76   3.336  16.982  -0.971
  586    HA   GLN  76           HA       GLN  76   4.366  19.588  -1.560
  587   1HB   GLN  76          HB2       GLN  76   1.918  18.467  -0.375
  588   2HB   GLN  76          HB1       GLN  76   2.393  20.032   0.270
  589   1HG   GLN  76          HG2       GLN  76   2.171  19.512  -2.677
  590   2HG   GLN  76          HG1       GLN  76   0.799  20.026  -1.697
  591   1HE2  GLN  76          HE21      GLN  76   2.863  21.171  -3.811
  592   2HE2  GLN  76          HE22      GLN  76   3.107  22.777  -3.224
  593    H    GLY  77           HN       GLY  77   4.197  17.494   1.279
  594   1HA   GLY  77          HA2       GLY  77   5.270  19.530   3.032
  595   2HA   GLY  77          HA1       GLY  77   4.899  17.871   3.464
  596    H    GLY  78           HN       GLY  78   6.438  16.297   2.057
  597   1HA   GLY  78          HA2       GLY  78   9.036  17.068   1.441
  598   2HA   GLY  78          HA1       GLY  78   9.015  16.684   3.156
  599    H    LYS  79           HN       LYS  79   9.726  15.459   0.255
  600    HA   LYS  79           HA       LYS  79   8.625  13.015  -0.111
  601   1HB   LYS  79          HB2       LYS  79  11.585  13.595  -0.254
  602   2HB   LYS  79          HB1       LYS  79  10.752  12.272  -1.059
  603   1HG   LYS  79          HG2       LYS  79  10.252  13.560  -2.789
  604   2HG   LYS  79          HG1       LYS  79   9.514  14.771  -1.739
  605   1HD   LYS  79          HD2       LYS  79  12.474  14.532  -2.278
  606   2HD   LYS  79          HD1       LYS  79  11.390  15.659  -3.096
  607   1HE   LYS  79          HE2       LYS  79  10.870  16.733  -0.983
  608   2HE   LYS  79          HE1       LYS  79  11.871  15.566  -0.119
  609   1HZ   LYS  79          HZ1       LYS  79  13.069  17.180  -2.264
  610   2HZ   LYS  79          HZ2       LYS  79  13.797  16.508  -0.892
  611   3HZ   LYS  79          HZ3       LYS  79  12.820  17.881  -0.743
  612    H    HIS  80           HN       HIS  80  10.781  13.907   2.493
  613    HA   HIS  80           HA       HIS  80  11.761  11.547   3.402
  614   1HB   HIS  80          HB2       HIS  80  11.886  13.919   4.445
  615   2HB   HIS  80          HB1       HIS  80  10.462  13.427   5.355
  616    HD1  HIS  80           HD1      HIS  80  13.260  11.032   4.622
  617    HD2  HIS  80           HD2      HIS  80  11.800  13.296   7.786
  618    HE1  HIS  80           HE1      HIS  80  14.501  10.225   6.654
  619    HE2  HIS  80           HE2      HIS  80  13.532  11.542   8.571
  620    H    THR  81           HN       THR  81   8.428  12.617   3.616
  621    HA   THR  81           HA       THR  81   7.551  10.525   5.344
  622    HB   THR  81           HB       THR  81   6.226  12.542   3.578
  623    HG1  THR  81           HG1      THR  81   6.703  13.174   5.655
  624   1HG2  THR  81          HG21      THR  81   4.982  10.007   4.398
  625   2HG2  THR  81          HG22      THR  81   4.550  11.136   3.105
  626   3HG2  THR  81          HG23      THR  81   4.064  11.472   4.772
  627    H    VAL  82           HN       VAL  82   6.565  11.061   1.993
  628    HA   VAL  82           HA       VAL  82   5.720   8.513   1.405
  629    HB   VAL  82           HB       VAL  82   7.154  10.314  -0.558
  630   1HG1  VAL  82          HG11      VAL  82   6.803   8.255  -1.609
  631   2HG1  VAL  82          HG12      VAL  82   5.415   9.223  -2.105
  632   3HG1  VAL  82          HG13      VAL  82   5.239   8.019  -0.832
  633   1HG2  VAL  82          HG21      VAL  82   4.314  10.360   0.434
  634   2HG2  VAL  82          HG22      VAL  82   4.839  11.155  -1.048
  635   3HG2  VAL  82          HG23      VAL  82   5.506  11.653   0.503
  636    H    HIS  83           HN       HIS  83   9.049   9.783   1.286
  637    HA   HIS  83           HA       HIS  83  10.289   7.703  -0.048
  638   1HB   HIS  83          HB2       HIS  83  11.208   9.918   1.195
  639   2HB   HIS  83          HB1       HIS  83  11.693   8.702   2.371
  640    HD1  HIS  83           HD1      HIS  83  13.881   7.625   1.933
  641    HD2  HIS  83           HD2      HIS  83  12.241   9.268  -1.513
  642    HE1  HIS  83           HE1      HIS  83  15.623   7.316   0.145
  643    HE2  HIS  83           HE2      HIS  83  14.645   8.400  -1.907
  644    H    HIS  84           HN       HIS  84   9.296   7.942   3.320
  645    HA   HIS  84           HA       HIS  84  10.318   5.355   4.033
  646   1HB   HIS  84          HB2       HIS  84   9.913   7.363   5.594
  647   2HB   HIS  84          HB1       HIS  84   8.219   6.885   5.560
  648    HD1  HIS  84           HD1      HIS  84  11.558   5.833   6.865
  649    HD2  HIS  84           HD2      HIS  84   7.606   4.555   6.989
  650    HE1  HIS  84           HE1      HIS  84  11.478   4.066   8.654
  651    HE2  HIS  84           HE2      HIS  84   9.060   3.370   8.769
  652    H    ILE  85           HN       ILE  85   7.339   6.633   2.767
  653    HA   ILE  85           HA       ILE  85   5.887   4.198   3.334
  654    HB   ILE  85           HB       ILE  85   3.996   5.341   3.044
  655   1HG1  ILE  85          HG12      ILE  85   4.764   7.106   0.797
  656   2HG1  ILE  85          HG11      ILE  85   4.596   5.388   0.463
  657   1HG2  ILE  85          HG21      ILE  85   5.060   6.928   4.374
  658   2HG2  ILE  85          HG22      ILE  85   4.159   7.815   3.143
  659   3HG2  ILE  85          HG23      ILE  85   5.901   7.621   2.993
  660   1HD1  ILE  85          HD11      ILE  85   2.359   5.429   0.678
  661   2HD1  ILE  85          HD12      ILE  85   2.565   7.144   0.339
  662   3HD1  ILE  85          HD13      ILE  85   2.399   6.587   2.003
  663    H    GLU  86           HN       GLU  86   7.481   5.693   0.603
  664    HA   GLU  86           HA       GLU  86   6.459   3.813  -1.316
  665   1HB   GLU  86          HB2       GLU  86   8.317   4.756  -2.766
  666   2HB   GLU  86          HB1       GLU  86   7.117   5.910  -2.211
  667   1HG   GLU  86          HG2       GLU  86   8.692   7.168  -1.338
  668   2HG   GLU  86          HG1       GLU  86   9.222   5.838  -0.315
  669    H    GLN  87           HN       GLN  87   9.504   4.211   0.489
  670    HA   GLN  87           HA       GLN  87  10.826   1.979  -0.597
  671   1HB   GLN  87          HB2       GLN  87  11.133   3.683   1.797
  672   2HB   GLN  87          HB1       GLN  87  11.772   2.056   1.963
  673   1HG   GLN  87          HG2       GLN  87  13.436   3.725   1.210
  674   2HG   GLN  87          HG1       GLN  87  13.238   2.362   0.110
  675   1HE2  GLN  87          HE21      GLN  87  12.454   2.699  -1.921
  676   2HE2  GLN  87          HE22      GLN  87  12.174   4.269  -2.588
  677    H    ASN  88           HN       ASN  88   8.351   2.362   1.794
  678    HA   ASN  88           HA       ASN  88   8.504  -0.355   2.759
  679   1HB   ASN  88          HB2       ASN  88   6.943   2.082   3.409
  680   2HB   ASN  88          HB1       ASN  88   6.134   0.546   3.702
  681   1HD2  ASN  88          HD21      ASN  88   9.319   2.035   4.196
  682   2HD2  ASN  88          HD22      ASN  88   9.542   1.428   5.798
  683    H    ILE  89           HN       ILE  89   5.899   1.540   1.206
  684    HA   ILE  89           HA       ILE  89   4.292  -0.614   0.535
  685    HB   ILE  89           HB       ILE  89   4.305   2.189  -0.074
  686   1HG1  ILE  89          HG12      ILE  89   1.881   0.754  -0.725
  687   2HG1  ILE  89          HG11      ILE  89   2.582   0.184   0.788
  688   1HG2  ILE  89          HG21      ILE  89   3.174   2.134  -2.261
  689   2HG2  ILE  89          HG22      ILE  89   3.569   0.422  -2.402
  690   3HG2  ILE  89          HG23      ILE  89   4.860   1.624  -2.359
  691   1HD1  ILE  89          HD11      ILE  89   1.613   1.908   1.796
  692   2HD1  ILE  89          HD12      ILE  89   1.116   2.600   0.253
  693   3HD1  ILE  89          HD13      ILE  89   2.705   2.981   0.919
  694    H    LYS  90           HN       LYS  90   6.883   0.888  -1.370
  695    HA   LYS  90           HA       LYS  90   6.435  -0.681  -3.648
  696   1HB   LYS  90          HB2       LYS  90   9.017   0.582  -2.701
  697   2HB   LYS  90          HB1       LYS  90   8.751  -0.076  -4.308
  698   1HG   LYS  90          HG2       LYS  90   6.889   2.015  -3.311
  699   2HG   LYS  90          HG1       LYS  90   8.509   2.492  -3.824
  700   1HD   LYS  90          HD2       LYS  90   8.109   1.350  -5.988
  701   2HD   LYS  90          HD1       LYS  90   6.457   1.014  -5.468
  702   1HE   LYS  90          HE2       LYS  90   7.583   3.799  -5.557
  703   2HE   LYS  90          HE1       LYS  90   6.815   3.049  -6.956
  704   1HZ   LYS  90          HZ1       LYS  90   4.988   3.986  -6.069
  705   2HZ   LYS  90          HZ2       LYS  90   5.626   4.051  -4.504
  706   3HZ   LYS  90          HZ3       LYS  90   4.976   2.604  -5.092
  707    H    GLU  91           HN       GLU  91   8.072  -1.295  -0.656
  708    HA   GLU  91           HA       GLU  91   9.237  -3.782  -1.637
  709   1HB   GLU  91          HB2       GLU  91   9.593  -2.071   0.735
  710   2HB   GLU  91          HB1       GLU  91   9.670  -3.795   1.061
  711   1HG   GLU  91          HG2       GLU  91  11.848  -3.460   0.595
  712   2HG   GLU  91          HG1       GLU  91  11.279  -3.720  -1.053
  713    H    ILE  92           HN       ILE  92   6.293  -2.736  -0.501
  714    HA   ILE  92           HA       ILE  92   5.570  -4.930   1.151
  715    HB   ILE  92           HB       ILE  92   4.287  -2.509   0.163
  716   1HG1  ILE  92          HG12      ILE  92   3.255  -2.565   2.355
  717   2HG1  ILE  92          HG11      ILE  92   3.729  -4.244   2.572
  718   1HG2  ILE  92          HG21      ILE  92   2.804  -3.969  -1.021
  719   2HG2  ILE  92          HG22      ILE  92   1.969  -3.363   0.409
  720   3HG2  ILE  92          HG23      ILE  92   2.620  -5.002   0.397
  721   1HD1  ILE  92          HD11      ILE  92   5.339  -1.771   2.783
  722   2HD1  ILE  92          HD12      ILE  92   6.138  -3.225   2.185
  723   3HD1  ILE  92          HD13      ILE  92   5.364  -3.231   3.770
  724    H    PHE  93           HN       PHE  93   5.156  -4.050  -2.236
  725    HA   PHE  93           HA       PHE  93   3.539  -6.193  -3.029
  726   1HB   PHE  93          HB2       PHE  93   3.826  -5.364  -5.125
  727   2HB   PHE  93          HB1       PHE  93   4.595  -4.023  -4.279
  728    HD1  PHE  93           HD1      PHE  93   4.966  -6.000  -7.017
  729    HD2  PHE  93           HD2      PHE  93   7.161  -4.742  -3.602
  730    HE1  PHE  93           HE1      PHE  93   7.069  -6.474  -8.199
  731    HE2  PHE  93           HE2      PHE  93   9.261  -5.216  -4.766
  732    HZ   PHE  93           HZ       PHE  93   9.229  -6.076  -7.078
  733    H    HIS  94           HN       HIS  94   6.937  -6.005  -2.302
  734    HA   HIS  94           HA       HIS  94   7.851  -8.285  -3.665
  735   1HB   HIS  94          HB2       HIS  94   8.948  -6.359  -1.930
  736   2HB   HIS  94          HB1       HIS  94   9.243  -7.914  -1.159
  737    HD1  HIS  94           HD1      HIS  94  10.946  -5.694  -3.205
  738    HD2  HIS  94           HD2      HIS  94  10.248  -9.781  -3.465
  739    HE1  HIS  94           HE1      HIS  94  12.737  -6.586  -4.726
  740    HE2  HIS  94           HE2      HIS  94  12.231  -9.043  -4.951
  741    H    HIS  95           HN       HIS  95   7.202  -7.955  -0.179
  742    HA   HIS  95           HA       HIS  95   7.162 -10.738   0.296
  743   1HB   HIS  95          HB2       HIS  95   6.404  -8.299   1.825
  744   2HB   HIS  95          HB1       HIS  95   5.732  -9.833   2.370
  745    HD1  HIS  95           HD1      HIS  95   9.005  -8.032   1.959
  746    HD2  HIS  95           HD2      HIS  95   7.521 -11.533   3.634
  747    HE1  HIS  95           HE1      HIS  95  10.888  -8.969   3.337
  748    HE2  HIS  95           HE2      HIS  95   9.934 -11.035   4.417
  749    H    LEU  96           HN       LEU  96   4.974  -8.737  -1.312
  750    HA   LEU  96           HA       LEU  96   2.613 -10.279  -0.583
  751   1HB   LEU  96          HB2       LEU  96   3.120  -7.911  -2.361
  752   2HB   LEU  96          HB1       LEU  96   1.588  -8.769  -2.412
  753    HG   LEU  96           HG       LEU  96   2.782  -7.393  -0.023
  754   1HD1  LEU  96          HD11      LEU  96   0.886  -5.854  -0.275
  755   2HD1  LEU  96          HD12      LEU  96   0.396  -6.711  -1.736
  756   3HD1  LEU  96          HD13      LEU  96   1.931  -5.842  -1.697
  757   1HD2  LEU  96          HD21      LEU  96   1.338  -8.435   1.298
  758   2HD2  LEU  96          HD22      LEU  96   0.990  -9.525  -0.048
  759   3HD2  LEU  96          HD23      LEU  96  -0.001  -8.089   0.205
  760    H    GLU  97           HN       GLU  97   4.395  -9.507  -3.554
  761    HA   GLU  97           HA       GLU  97   3.116 -11.567  -5.064
  762   1HB   GLU  97          HB2       GLU  97   4.789  -9.348  -5.606
  763   2HB   GLU  97          HB1       GLU  97   5.639 -10.768  -6.199
  764   1HG   GLU  97          HG2       GLU  97   4.440 -10.318  -8.050
  765   2HG   GLU  97          HG1       GLU  97   3.232 -11.288  -7.208
  766    H    GLU  98           HN       GLU  98   5.441 -11.605  -2.665
  767    HA   GLU  98           HA       GLU  98   6.930 -13.868  -3.753
  768   1HB   GLU  98          HB2       GLU  98   7.198 -12.158  -1.302
  769   2HB   GLU  98          HB1       GLU  98   8.023 -13.707  -1.395
  770   1HG   GLU  98          HG2       GLU  98   8.350 -11.831  -3.667
  771   2HG   GLU  98          HG1       GLU  98   9.169 -11.450  -2.153
  772    H    LEU  99           HN       LEU  99   4.322 -13.197  -1.584
  773    HA   LEU  99           HA       LEU  99   4.405 -15.620  -0.103
  774   1HB   LEU  99          HB2       LEU  99   3.225 -13.533   0.597
  775   2HB   LEU  99          HB1       LEU  99   2.029 -13.842  -0.646
  776    HG   LEU  99           HG       LEU  99   1.656 -16.096   0.547
  777   1HD1  LEU  99          HD11      LEU  99   3.041 -14.554   2.734
  778   2HD1  LEU  99          HD12      LEU  99   3.620 -16.034   1.972
  779   3HD1  LEU  99          HD13      LEU  99   2.151 -16.058   2.948
  780   1HD2  LEU  99          HD21      LEU  99  -0.173 -14.780   0.754
  781   2HD2  LEU  99          HD22      LEU  99   0.756 -13.386   1.307
  782   3HD2  LEU  99          HD23      LEU  99   0.374 -14.693   2.428
  783    H    VAL 100           HN       VAL 100   2.347 -14.553  -2.816
  784    HA   VAL 100           HA       VAL 100   1.074 -17.076  -3.116
  785    HB   VAL 100           HB       VAL 100   1.319 -14.893  -5.188
  786   1HG1  VAL 100          HG11      VAL 100  -0.843 -16.962  -4.845
  787   2HG1  VAL 100          HG12      VAL 100   0.523 -17.146  -5.945
  788   3HG1  VAL 100          HG13      VAL 100  -0.631 -15.834  -6.184
  789   1HG2  VAL 100          HG21      VAL 100   0.420 -13.839  -3.286
  790   2HG2  VAL 100          HG22      VAL 100  -0.573 -15.238  -2.879
  791   3HG2  VAL 100          HG23      VAL 100  -0.971 -14.253  -4.288
  792    H    HIS 101           HN       HIS 101   4.023 -15.712  -4.371
  793    HA   HIS 101           HA       HIS 101   4.323 -17.630  -6.486
  794   1HB   HIS 101          HB2       HIS 101   5.877 -15.365  -5.405
  795   2HB   HIS 101          HB1       HIS 101   6.834 -16.657  -6.120
  796    HD1  HIS 101           HD1      HIS 101   7.467 -15.843  -8.371
  797    HD2  HIS 101           HD2      HIS 101   3.478 -15.066  -7.505
  798    HE1  HIS 101           HE1      HIS 101   6.502 -14.861 -10.474
  799    HE2  HIS 101           HE2      HIS 101   4.106 -14.330  -9.904
  800    H    ARG 102           HN       ARG 102   5.520 -17.278  -3.186
  801    HA   ARG 102           HA       ARG 102   7.297 -19.502  -3.316
  802   1HB   ARG 102          HB2       ARG 102   7.604 -19.201  -0.969
  803   2HB   ARG 102          HB1       ARG 102   7.470 -17.602  -1.683
  804   1HG   ARG 102          HG2       ARG 102   5.280 -17.306  -0.847
  805   2HG   ARG 102          HG1       ARG 102   5.145 -19.009  -0.405
  806   1HD   ARG 102          HD2       ARG 102   5.540 -17.673   1.574
  807   2HD   ARG 102          HD1       ARG 102   6.938 -18.698   1.250
  808    HE   ARG 102           HE       ARG 102   7.089 -16.016   0.171
  809   1HH1  ARG 102          HH11      ARG 102   7.849 -18.122   2.853
  810   2HH1  ARG 102          HH12      ARG 102   9.123 -17.112   3.444
  811   1HH2  ARG 102          HH21      ARG 102   8.765 -14.689   0.951
  812   2HH2  ARG 102          HH22      ARG 102   9.643 -15.164   2.366
  Start of MODEL    4
    1   1H    MET   1           HT1      MET   1   2.854 -21.112   3.805
    2   2H    MET   1           HT2      MET   1   1.355 -21.949   3.817
    3   3H    MET   1           HT3      MET   1   2.582 -22.366   4.941
    4    HA   MET   1           HA       MET   1   0.694 -21.007   5.784
    5   1HB   MET   1          HB2       MET   1   3.617 -20.559   6.066
    6   2HB   MET   1          HB1       MET   1   2.561 -19.367   6.810
    7   1HG   MET   1          HG2       MET   1   2.662 -20.755   8.563
    8   2HG   MET   1          HG1       MET   1   1.406 -21.630   7.689
    9   1HE   MET   1          HE1       MET   1   5.455 -22.066   6.436
   10   2HE   MET   1          HE2       MET   1   5.809 -22.509   8.105
   11   3HE   MET   1          HE3       MET   1   5.045 -20.961   7.747
   12    H    TYR   2           HN       TYR   2  -0.675 -19.563   4.960
   13    HA   TYR   2           HA       TYR   2   0.436 -17.096   3.810
   14   1HB   TYR   2          HB2       TYR   2  -2.068 -18.380   2.730
   15   2HB   TYR   2          HB1       TYR   2  -1.107 -17.089   2.016
   16    HD1  TYR   2           HD1      TYR   2  -1.563 -20.660   2.312
   17    HD2  TYR   2           HD2      TYR   2   1.134 -17.624   1.044
   18    HE1  TYR   2           HE1      TYR   2  -0.325 -22.321   0.990
   19    HE2  TYR   2           HE2      TYR   2   2.380 -19.277  -0.285
   20    HH   TYR   2           HH       TYR   2   2.013 -21.456  -1.327
   21    H    GLY   3           HN       GLY   3  -0.589 -15.224   4.350
   22   1HA   GLY   3          HA2       GLY   3  -2.842 -14.281   5.036
   23   2HA   GLY   3          HA1       GLY   3  -2.776 -15.482   6.319
   24    H    LYS   4           HN       LYS   4  -0.043 -15.245   6.975
   25    HA   LYS   4           HA       LYS   4  -0.143 -13.043   8.742
   26   1HB   LYS   4          HB2       LYS   4   1.201 -15.148   9.094
   27   2HB   LYS   4          HB1       LYS   4   2.332 -14.556   7.884
   28   1HG   LYS   4          HG2       LYS   4   3.399 -13.806   9.728
   29   2HG   LYS   4          HG1       LYS   4   2.317 -12.433   9.488
   30   1HD   LYS   4          HD2       LYS   4   1.334 -14.712  11.123
   31   2HD   LYS   4          HD1       LYS   4   2.549 -13.650  11.835
   32   1HE   LYS   4          HE2       LYS   4   1.100 -11.951  12.068
   33   2HE   LYS   4          HE1       LYS   4   0.360 -12.241  10.495
   34   1HZ   LYS   4          HZ1       LYS   4  -0.245 -13.590  13.062
   35   2HZ   LYS   4          HZ2       LYS   4  -0.778 -14.187  11.571
   36   3HZ   LYS   4          HZ3       LYS   4  -1.287 -12.664  12.103
   37    H    LEU   5           HN       LEU   5   0.686 -13.249   5.449
   38    HA   LEU   5           HA       LEU   5   2.615 -11.283   5.159
   39   1HB   LEU   5          HB2       LEU   5   0.925 -12.707   3.458
   40   2HB   LEU   5          HB1       LEU   5   0.492 -11.029   3.180
   41    HG   LEU   5           HG       LEU   5   2.175 -11.667   1.587
   42   1HD1  LEU   5          HD11      LEU   5   2.276  -9.442   3.060
   43   2HD1  LEU   5          HD12      LEU   5   3.448  -9.800   1.792
   44   3HD1  LEU   5          HD13      LEU   5   3.847 -10.124   3.479
   45   1HD2  LEU   5          HD21      LEU   5   4.145 -12.214   3.768
   46   2HD2  LEU   5          HD22      LEU   5   4.174 -12.719   2.079
   47   3HD2  LEU   5          HD23      LEU   5   3.064 -13.491   3.213
   48    H    ASN   6           HN       ASN   6  -0.666 -11.091   6.190
   49    HA   ASN   6           HA       ASN   6  -1.193  -8.395   5.670
   50   1HB   ASN   6          HB2       ASN   6  -2.949  -9.960   6.247
   51   2HB   ASN   6          HB1       ASN   6  -2.251 -10.168   7.848
   52   1HD2  ASN   6          HD21      ASN   6  -3.471  -7.636   5.693
   53   2HD2  ASN   6          HD22      ASN   6  -4.222  -6.700   6.935
   54    H    ASP   7           HN       ASP   7   0.153 -10.020   8.523
   55    HA   ASP   7           HA       ASP   7   0.390  -7.880  10.245
   56   1HB   ASP   7          HB2       ASP   7   1.494 -10.494  10.050
   57   2HB   ASP   7          HB1       ASP   7   2.828  -9.390  10.368
   58    H    LEU   8           HN       LEU   8   2.279  -8.725   7.442
   59    HA   LEU   8           HA       LEU   8   4.138  -6.523   7.817
   60   1HB   LEU   8          HB2       LEU   8   5.031  -8.605   6.957
   61   2HB   LEU   8          HB1       LEU   8   3.861  -8.613   5.654
   62    HG   LEU   8           HG       LEU   8   6.239  -7.947   5.063
   63   1HD1  LEU   8          HD11      LEU   8   3.842  -7.233   3.988
   64   2HD1  LEU   8          HD12      LEU   8   5.418  -6.925   3.256
   65   3HD1  LEU   8          HD13      LEU   8   4.626  -5.667   4.206
   66   1HD2  LEU   8          HD21      LEU   8   5.405  -5.496   6.596
   67   2HD2  LEU   8          HD22      LEU   8   6.726  -5.514   5.429
   68   3HD2  LEU   8          HD23      LEU   8   6.813  -6.521   6.874
   69    H    LEU   9           HN       LEU   9   1.256  -7.342   6.004
   70    HA   LEU   9           HA       LEU   9   1.513  -5.258   4.079
   71   1HB   LEU   9          HB2       LEU   9  -0.193  -7.403   4.482
   72   2HB   LEU   9          HB1       LEU   9  -1.229  -6.009   4.717
   73    HG   LEU   9           HG       LEU   9   0.357  -6.718   2.254
   74   1HD1  LEU   9          HD11      LEU   9  -1.602  -7.307   1.295
   75   2HD1  LEU   9          HD12      LEU   9  -2.533  -6.115   2.201
   76   3HD1  LEU   9          HD13      LEU   9  -2.051  -7.628   2.969
   77   1HD2  LEU   9          HD21      LEU   9  -0.249  -4.678   1.261
   78   2HD2  LEU   9          HD22      LEU   9   0.367  -4.243   2.855
   79   3HD2  LEU   9          HD23      LEU   9  -1.371  -4.280   2.562
   80    H    GLU  10           HN       GLU  10   0.180  -5.489   7.304
   81    HA   GLU  10           HA       GLU  10  -1.394  -3.211   7.418
   82   1HB   GLU  10          HB2       GLU  10   0.188  -4.741   9.439
   83   2HB   GLU  10          HB1       GLU  10  -0.523  -3.202   9.907
   84   1HG   GLU  10          HG2       GLU  10  -2.093  -5.459   8.690
   85   2HG   GLU  10          HG1       GLU  10  -1.897  -5.225  10.426
   86    H    ASP  11           HN       ASP  11   2.108  -3.528   7.816
   87    HA   ASP  11           HA       ASP  11   2.790  -1.041   8.751
   88   1HB   ASP  11          HB2       ASP  11   4.150  -3.200   7.611
   89   2HB   ASP  11          HB1       ASP  11   4.581  -1.823   6.603
   90    H    LEU  12           HN       LEU  12   2.100  -1.965   5.413
   91    HA   LEU  12           HA       LEU  12   2.698   0.448   4.162
   92   1HB   LEU  12          HB2       LEU  12   2.252  -0.898   2.445
   93   2HB   LEU  12          HB1       LEU  12   1.413  -2.028   3.483
   94    HG   LEU  12           HG       LEU  12  -0.189   0.331   2.727
   95   1HD1  LEU  12          HD11      LEU  12   1.276  -1.098   0.699
   96   2HD1  LEU  12          HD12      LEU  12   0.232   0.316   0.555
   97   3HD1  LEU  12          HD13      LEU  12  -0.464  -1.302   0.496
   98   1HD2  LEU  12          HD21      LEU  12  -1.624  -1.161   3.580
   99   2HD2  LEU  12          HD22      LEU  12  -0.517  -2.507   3.324
  100   3HD2  LEU  12          HD23      LEU  12  -1.531  -1.941   2.001
  101    H    GLN  13           HN       GLN  13  -0.529  -0.731   5.104
  102    HA   GLN  13           HA       GLN  13  -1.956   1.555   4.535
  103   1HB   GLN  13          HB2       GLN  13  -3.011  -0.567   5.150
  104   2HB   GLN  13          HB1       GLN  13  -2.430  -0.397   6.801
  105   1HG   GLN  13          HG2       GLN  13  -4.458   0.454   7.185
  106   2HG   GLN  13          HG1       GLN  13  -3.782   1.928   6.491
  107   1HE2  GLN  13          HE21      GLN  13  -4.570   2.687   4.616
  108   2HE2  GLN  13          HE22      GLN  13  -5.830   1.933   3.707
  109    H    GLU  14           HN       GLU  14  -0.179   0.789   7.508
  110    HA   GLU  14           HA       GLU  14  -1.012   3.183   8.846
  111   1HB   GLU  14          HB2       GLU  14   0.639   2.580  10.544
  112   2HB   GLU  14          HB1       GLU  14  -0.338   1.185  10.109
  113   1HG   GLU  14          HG2       GLU  14   1.429   0.279   8.786
  114   2HG   GLU  14          HG1       GLU  14   2.396   1.737   8.992
  115    H    VAL  15           HN       VAL  15   1.416   2.363   6.560
  116    HA   VAL  15           HA       VAL  15   3.176   4.527   7.173
  117    HB   VAL  15           HB       VAL  15   3.591   2.288   5.804
  118   1HG1  VAL  15          HG11      VAL  15   3.966   3.408   3.345
  119   2HG1  VAL  15          HG12      VAL  15   2.394   4.057   3.802
  120   3HG1  VAL  15          HG13      VAL  15   2.657   2.317   3.774
  121   1HG2  VAL  15          HG21      VAL  15   4.998   4.844   5.084
  122   2HG2  VAL  15          HG22      VAL  15   5.654   3.202   5.075
  123   3HG2  VAL  15          HG23      VAL  15   5.223   3.971   6.603
  124    H    LEU  16           HN       LEU  16   0.301   4.112   5.279
  125    HA   LEU  16           HA       LEU  16   0.595   6.359   3.600
  126   1HB   LEU  16          HB2       LEU  16  -1.752   4.728   4.500
  127   2HB   LEU  16          HB1       LEU  16  -2.012   6.209   3.599
  128    HG   LEU  16           HG       LEU  16  -2.068   4.460   2.019
  129   1HD1  LEU  16          HD11      LEU  16  -0.716   5.409   0.515
  130   2HD1  LEU  16          HD12      LEU  16   0.730   5.078   1.468
  131   3HD1  LEU  16          HD13      LEU  16  -0.255   6.495   1.825
  132   1HD2  LEU  16          HD21      LEU  16   0.596   3.474   2.993
  133   2HD2  LEU  16          HD22      LEU  16  -0.519   2.684   1.876
  134   3HD2  LEU  16          HD23      LEU  16  -0.935   2.832   3.582
  135    H    LYS  17           HN       LYS  17  -0.604   5.935   6.870
  136    HA   LYS  17           HA       LYS  17  -1.977   8.242   7.368
  137   1HB   LYS  17          HB2       LYS  17  -1.646   6.570   9.091
  138   2HB   LYS  17          HB1       LYS  17   0.080   6.903   9.134
  139   1HG   LYS  17          HG2       LYS  17  -1.687   9.205   9.647
  140   2HG   LYS  17          HG1       LYS  17  -1.682   7.935  10.874
  141   1HD   LYS  17          HD2       LYS  17   0.752   9.361   9.800
  142   2HD   LYS  17          HD1       LYS  17  -0.018   9.669  11.358
  143   1HE   LYS  17          HE2       LYS  17   0.360   7.079  11.667
  144   2HE   LYS  17          HE1       LYS  17   1.624   7.350  10.468
  145   1HZ   LYS  17          HZ1       LYS  17   1.419   8.368  13.213
  146   2HZ   LYS  17          HZ2       LYS  17   2.247   9.293  12.065
  147   3HZ   LYS  17          HZ3       LYS  17   2.754   7.716  12.405
  148    H    ASN  18           HN       ASN  18   1.528   7.831   7.218
  149    HA   ASN  18           HA       ASN  18   2.168  10.537   7.859
  150   1HB   ASN  18          HB2       ASN  18   3.599   8.144   7.329
  151   2HB   ASN  18          HB1       ASN  18   4.163   9.335   6.160
  152   1HD2  ASN  18          HD21      ASN  18   3.281   9.242   9.602
  153   2HD2  ASN  18          HD22      ASN  18   4.661  10.124  10.151
  154    H    LEU  19           HN       LEU  19   1.733   8.714   4.895
  155    HA   LEU  19           HA       LEU  19   2.457  10.594   3.004
  156   1HB   LEU  19          HB2       LEU  19   2.031   8.720   1.866
  157   2HB   LEU  19          HB1       LEU  19   0.979   8.114   3.121
  158    HG   LEU  19           HG       LEU  19  -0.125  10.163   1.265
  159   1HD1  LEU  19          HD11      LEU  19   0.574   8.918  -0.489
  160   2HD1  LEU  19          HD12      LEU  19  -0.810   7.928  -0.044
  161   3HD1  LEU  19          HD13      LEU  19   0.809   7.473   0.486
  162   1HD2  LEU  19          HD21      LEU  19  -1.690   9.555   2.824
  163   2HD2  LEU  19          HD22      LEU  19  -1.103   7.895   2.926
  164   3HD2  LEU  19          HD23      LEU  19  -2.040   8.411   1.530
  165    H    HIS  20           HN       HIS  20  -0.562  10.262   4.786
  166    HA   HIS  20           HA       HIS  20  -2.203  11.991   3.364
  167   1HB   HIS  20          HB2       HIS  20  -2.031  11.320   6.291
  168   2HB   HIS  20          HB1       HIS  20  -3.223  12.462   5.690
  169    HD1  HIS  20           HD1      HIS  20  -5.286  11.524   4.588
  170    HD2  HIS  20           HD2      HIS  20  -2.441   8.622   5.436
  171    HE1  HIS  20           HE1      HIS  20  -6.449   9.323   4.240
  172    HE2  HIS  20           HE2      HIS  20  -4.679   7.582   4.667
  173    H    LYS  21           HN       LYS  21   0.348  12.722   5.658
  174    HA   LYS  21           HA       LYS  21  -0.297  15.562   5.597
  175   1HB   LYS  21          HB2       LYS  21   2.027  14.355   7.056
  176   2HB   LYS  21          HB1       LYS  21   1.118  15.813   7.440
  177   1HG   LYS  21          HG2       LYS  21  -0.010  13.031   7.594
  178   2HG   LYS  21          HG1       LYS  21   0.695  13.896   8.962
  179   1HD   LYS  21          HD2       LYS  21  -1.547  14.387   9.224
  180   2HD   LYS  21          HD1       LYS  21  -0.995  15.772   8.281
  181   1HE   LYS  21          HE2       LYS  21  -2.045  15.051   6.355
  182   2HE   LYS  21          HE1       LYS  21  -2.001  13.362   6.852
  183   1HZ   LYS  21          HZ1       LYS  21  -4.084  15.221   7.161
  184   2HZ   LYS  21          HZ2       LYS  21  -3.578  14.724   8.696
  185   3HZ   LYS  21          HZ3       LYS  21  -4.072  13.576   7.557
  186    H    ASN  22           HN       ASN  22   1.368  13.655   3.528
  187    HA   ASN  22           HA       ASN  22   3.123  15.893   2.826
  188   1HB   ASN  22          HB2       ASN  22   4.111  13.047   2.792
  189   2HB   ASN  22          HB1       ASN  22   5.045  14.519   2.532
  190   1HD2  ASN  22          HD21      ASN  22   6.154  15.232   4.200
  191   2HD2  ASN  22          HD22      ASN  22   5.832  14.886   5.861
  192    H    TRP  23           HN       TRP  23   0.759  13.830   1.786
  193    HA   TRP  23           HA       TRP  23   1.739  13.307  -0.848
  194   1HB   TRP  23          HB2       TRP  23  -0.125  12.056  -1.097
  195   2HB   TRP  23          HB1       TRP  23  -0.310  12.281   0.632
  196    HD1  TRP  23           HD1      TRP  23  -2.575  13.162   1.340
  197    HE1  TRP  23           HE1      TRP  23  -4.521  14.402   0.234
  198    HE3  TRP  23           HE3      TRP  23  -0.490  13.792  -3.216
  199    HZ2  TRP  23           HZ2      TRP  23  -5.106  15.465  -2.367
  200    HZ3  TRP  23           HZ3      TRP  23  -1.775  14.881  -4.978
  201    HH2  TRP  23           HH2      TRP  23  -4.047  15.714  -4.575
  202    H    HIS  24           HN       HIS  24  -0.718  15.549   0.426
  203    HA   HIS  24           HA       HIS  24   0.171  17.782  -0.945
  204   1HB   HIS  24          HB2       HIS  24  -0.553  16.454  -2.966
  205   2HB   HIS  24          HB1       HIS  24  -2.200  16.590  -2.362
  206    HD1  HIS  24           HD1      HIS  24  -1.622  17.863  -5.043
  207    HD2  HIS  24           HD2      HIS  24  -1.191  19.853  -1.419
  208    HE1  HIS  24           HE1      HIS  24  -1.782  20.312  -5.603
  209    HE2  HIS  24           HE2      HIS  24  -1.418  21.502  -3.409
  210    H    GLY  25           HN       GLY  25  -0.705  17.385   1.553
  211   1HA   GLY  25          HA2       GLY  25  -2.154  18.135   3.167
  212   2HA   GLY  25          HA1       GLY  25  -2.453  19.452   2.047
  213    H    GLY  26           HN       GLY  26  -4.439  18.835   3.636
  214   1HA   GLY  26          HA2       GLY  26  -6.664  18.319   3.668
  215   2HA   GLY  26          HA1       GLY  26  -6.561  18.246   1.915
  216    H    LYS  27           HN       LYS  27  -6.039  16.371   4.874
  217    HA   LYS  27           HA       LYS  27  -5.524  13.890   3.783
  218   1HB   LYS  27          HB2       LYS  27  -5.365  14.038   6.114
  219   2HB   LYS  27          HB1       LYS  27  -6.969  14.739   6.278
  220   1HG   LYS  27          HG2       LYS  27  -7.088  12.091   5.122
  221   2HG   LYS  27          HG1       LYS  27  -6.243  12.088   6.670
  222   1HD   LYS  27          HD2       LYS  27  -8.474  13.737   7.042
  223   2HD   LYS  27          HD1       LYS  27  -9.062  12.355   6.117
  224   1HE   LYS  27          HE2       LYS  27  -7.277  11.819   8.430
  225   2HE   LYS  27          HE1       LYS  27  -8.929  12.333   8.770
  226   1HZ   LYS  27          HZ1       LYS  27  -8.669  10.246   6.778
  227   2HZ   LYS  27          HZ2       LYS  27  -9.769  10.394   8.053
  228   3HZ   LYS  27          HZ3       LYS  27  -8.213   9.799   8.344
  229    H    ASP  28           HN       ASP  28  -8.468  15.719   3.812
  230    HA   ASP  28           HA       ASP  28 -10.345  13.707   3.325
  231   1HB   ASP  28          HB2       ASP  28 -10.216  16.610   3.077
  232   2HB   ASP  28          HB1       ASP  28 -11.208  15.881   1.817
  233    H    ASN  29           HN       ASN  29  -7.965  15.236   1.263
  234    HA   ASN  29           HA       ASN  29  -9.071  14.159  -1.177
  235   1HB   ASN  29          HB2       ASN  29  -6.365  15.395  -0.614
  236   2HB   ASN  29          HB1       ASN  29  -6.988  14.997  -2.213
  237   1HD2  ASN  29          HD21      ASN  29  -7.435  17.037   0.600
  238   2HD2  ASN  29          HD22      ASN  29  -8.319  18.282  -0.209
  239    H    LEU  30           HN       LEU  30  -6.472  13.386   1.068
  240    HA   LEU  30           HA       LEU  30  -5.383  11.208  -0.379
  241   1HB   LEU  30          HB2       LEU  30  -4.395  12.516   1.610
  242   2HB   LEU  30          HB1       LEU  30  -5.380  11.486   2.618
  243    HG   LEU  30           HG       LEU  30  -3.112  10.672   2.564
  244   1HD1  LEU  30          HD11      LEU  30  -5.338   9.143   2.127
  245   2HD1  LEU  30          HD12      LEU  30  -3.753   8.558   2.613
  246   3HD1  LEU  30          HD13      LEU  30  -4.204   8.559   0.912
  247   1HD2  LEU  30          HD21      LEU  30  -2.567   9.593   0.131
  248   2HD2  LEU  30          HD22      LEU  30  -1.948  11.141   0.704
  249   3HD2  LEU  30          HD23      LEU  30  -3.378  11.095  -0.325
  250    H    HIS  31           HN       HIS  31  -7.968  11.558   1.970
  251    HA   HIS  31           HA       HIS  31  -8.482   8.991   2.743
  252   1HB   HIS  31          HB2       HIS  31  -9.799  11.373   2.981
  253   2HB   HIS  31          HB1       HIS  31 -10.909  10.464   1.961
  254    HD1  HIS  31           HD1      HIS  31  -9.903   7.728   3.569
  255    HD2  HIS  31           HD2      HIS  31 -11.747  11.143   5.055
  256    HE1  HIS  31           HE1      HIS  31 -11.000   7.018   5.718
  257    HE2  HIS  31           HE2      HIS  31 -12.033   9.121   6.644
  258    H    ASP  32           HN       ASP  32  -9.470  10.516  -0.302
  259    HA   ASP  32           HA       ASP  32 -10.840   8.178  -1.233
  260   1HB   ASP  32          HB2       ASP  32 -10.764  10.870  -1.969
  261   2HB   ASP  32          HB1       ASP  32 -10.061  10.015  -3.340
  262    H    VAL  33           HN       VAL  33  -7.576   9.258  -1.273
  263    HA   VAL  33           HA       VAL  33  -6.839   7.539  -3.494
  264    HB   VAL  33           HB       VAL  33  -5.831   9.879  -2.825
  265   1HG1  VAL  33          HG11      VAL  33  -3.622   9.574  -1.705
  266   2HG1  VAL  33          HG12      VAL  33  -4.161   7.974  -1.207
  267   3HG1  VAL  33          HG13      VAL  33  -5.019   9.406  -0.649
  268   1HG2  VAL  33          HG21      VAL  33  -3.558   8.933  -3.779
  269   2HG2  VAL  33          HG22      VAL  33  -5.002   9.096  -4.780
  270   3HG2  VAL  33          HG23      VAL  33  -4.573   7.526  -4.101
  271    H    ASP  34           HN       ASP  34  -6.232   7.712   0.015
  272    HA   ASP  34           HA       ASP  34  -4.769   5.250   0.028
  273   1HB   ASP  34          HB2       ASP  34  -4.141   6.634   1.790
  274   2HB   ASP  34          HB1       ASP  34  -5.802   7.098   2.153
  275    H    ASN  35           HN       ASN  35  -8.119   6.196   0.550
  276    HA   ASN  35           HA       ASN  35  -9.108   3.880   1.729
  277   1HB   ASN  35          HB2       ASN  35 -10.546   5.801   1.460
  278   2HB   ASN  35          HB1       ASN  35 -10.408   5.720  -0.294
  279   1HD2  ASN  35          HD21      ASN  35 -11.383   3.918  -1.375
  280   2HD2  ASN  35          HD22      ASN  35 -12.748   3.125  -0.675
  281    H    HIS  36           HN       HIS  36  -8.049   4.503  -1.517
  282    HA   HIS  36           HA       HIS  36  -9.221   2.372  -2.887
  283   1HB   HIS  36          HB2       HIS  36  -7.237   4.339  -3.390
  284   2HB   HIS  36          HB1       HIS  36  -6.524   2.783  -3.798
  285    HD1  HIS  36           HD1      HIS  36 -10.178   3.142  -4.346
  286    HD2  HIS  36           HD2      HIS  36  -6.667   3.560  -6.530
  287    HE1  HIS  36           HE1      HIS  36 -10.891   3.234  -6.755
  288    HE2  HIS  36           HE2      HIS  36  -8.759   3.582  -8.050
  289    H    LEU  37           HN       LEU  37  -6.063   2.557  -1.275
  290    HA   LEU  37           HA       LEU  37  -5.624  -0.268  -1.563
  291   1HB   LEU  37          HB2       LEU  37  -3.512   0.199  -1.012
  292   2HB   LEU  37          HB1       LEU  37  -3.981   1.878  -1.172
  293    HG   LEU  37           HG       LEU  37  -4.620   1.484   1.412
  294   1HD1  LEU  37          HD11      LEU  37  -2.430   0.258   2.212
  295   2HD1  LEU  37          HD12      LEU  37  -2.621  -0.590   0.677
  296   3HD1  LEU  37          HD13      LEU  37  -3.912  -0.639   1.879
  297   1HD2  LEU  37          HD21      LEU  37  -3.169   3.186   0.290
  298   2HD2  LEU  37          HD22      LEU  37  -1.823   2.062   0.497
  299   3HD2  LEU  37          HD23      LEU  37  -2.672   2.698   1.910
  300    H    GLN  38           HN       GLN  38  -6.864   1.907   0.877
  301    HA   GLN  38           HA       GLN  38  -6.774   0.265   3.124
  302   1HB   GLN  38          HB2       GLN  38  -7.629   2.740   2.793
  303   2HB   GLN  38          HB1       GLN  38  -9.191   1.958   2.598
  304   1HG   GLN  38          HG2       GLN  38  -7.612   1.127   4.943
  305   2HG   GLN  38          HG1       GLN  38  -8.217   2.783   4.955
  306   1HE2  GLN  38          HE21      GLN  38  -9.382   1.855   6.845
  307   2HE2  GLN  38          HE22      GLN  38 -10.917   1.119   6.555
  308    H    ASN  39           HN       ASN  39  -8.989   0.375   0.407
  309    HA   ASN  39           HA       ASN  39 -10.681  -1.708   1.501
  310   1HB   ASN  39          HB2       ASN  39 -11.166   0.312  -0.262
  311   2HB   ASN  39          HB1       ASN  39 -10.909  -1.033  -1.367
  312   1HD2  ASN  39          HD21      ASN  39 -13.341   0.384  -0.950
  313   2HD2  ASN  39          HD22      ASN  39 -14.500  -0.746  -0.347
  314    H    VAL  40           HN       VAL  40  -7.800  -1.459  -0.343
  315    HA   VAL  40           HA       VAL  40  -8.087  -3.943  -1.760
  316    HB   VAL  40           HB       VAL  40  -5.692  -2.184  -1.224
  317   1HG1  VAL  40          HG11      VAL  40  -4.991  -3.811  -3.323
  318   2HG1  VAL  40          HG12      VAL  40  -5.805  -4.921  -2.220
  319   3HG1  VAL  40          HG13      VAL  40  -4.428  -3.973  -1.660
  320   1HG2  VAL  40          HG21      VAL  40  -6.120  -1.178  -3.194
  321   2HG2  VAL  40          HG22      VAL  40  -7.756  -1.783  -2.932
  322   3HG2  VAL  40          HG23      VAL  40  -6.639  -2.677  -3.963
  323    H    ILE  41           HN       ILE  41  -6.519  -2.863   1.213
  324    HA   ILE  41           HA       ILE  41  -5.025  -5.022   1.939
  325    HB   ILE  41           HB       ILE  41  -5.452  -2.834   3.218
  326   1HG1  ILE  41          HG12      ILE  41  -5.090  -4.209   5.472
  327   2HG1  ILE  41          HG11      ILE  41  -4.888  -5.536   4.332
  328   1HG2  ILE  41          HG21      ILE  41  -7.420  -4.460   4.784
  329   2HG2  ILE  41          HG22      ILE  41  -7.942  -3.426   3.455
  330   3HG2  ILE  41          HG23      ILE  41  -7.111  -2.724   4.843
  331   1HD1  ILE  41          HD11      ILE  41  -2.908  -3.887   5.159
  332   2HD1  ILE  41          HD12      ILE  41  -3.397  -3.113   3.650
  333   3HD1  ILE  41          HD13      ILE  41  -2.890  -4.803   3.651
  334    H    GLU  42           HN       GLU  42  -8.521  -4.730   2.064
  335    HA   GLU  42           HA       GLU  42  -8.921  -7.205   3.458
  336   1HB   GLU  42          HB2       GLU  42 -11.210  -6.749   3.324
  337   2HB   GLU  42          HB1       GLU  42 -10.494  -5.143   3.351
  338   1HG   GLU  42          HG2       GLU  42 -11.790  -4.741   1.589
  339   2HG   GLU  42          HG1       GLU  42 -10.593  -5.660   0.679
  340    H    ASP  43           HN       ASP  43  -8.587  -6.226   0.163
  341    HA   ASP  43           HA       ASP  43  -9.625  -8.698  -0.879
  342   1HB   ASP  43          HB2       ASP  43  -8.454  -6.213  -2.025
  343   2HB   ASP  43          HB1       ASP  43  -8.291  -7.683  -2.982
  344    H    ILE  44           HN       ILE  44  -6.581  -7.439   0.205
  345    HA   ILE  44           HA       ILE  44  -5.069  -9.582  -1.034
  346    HB   ILE  44           HB       ILE  44  -3.909  -7.799   1.070
  347   1HG1  ILE  44          HG12      ILE  44  -4.404  -7.028  -1.817
  348   2HG1  ILE  44          HG11      ILE  44  -5.092  -6.257  -0.395
  349   1HG2  ILE  44          HG21      ILE  44  -2.960  -9.617  -0.995
  350   2HG2  ILE  44          HG22      ILE  44  -2.149  -9.024   0.455
  351   3HG2  ILE  44          HG23      ILE  44  -2.136  -8.058  -1.021
  352   1HD1  ILE  44          HD11      ILE  44  -3.318  -4.956  -0.127
  353   2HD1  ILE  44          HD12      ILE  44  -2.824  -5.479  -1.737
  354   3HD1  ILE  44          HD13      ILE  44  -2.201  -6.308  -0.311
  355    H    HIS  45           HN       HIS  45  -5.623  -8.495   2.324
  356    HA   HIS  45           HA       HIS  45  -4.528 -10.762   3.529
  357   1HB   HIS  45          HB2       HIS  45  -5.132  -9.816   5.505
  358   2HB   HIS  45          HB1       HIS  45  -5.421  -8.414   4.483
  359    HD1  HIS  45           HD1      HIS  45  -6.908  -9.620   7.237
  360    HD2  HIS  45           HD2      HIS  45  -8.390  -9.123   3.390
  361    HE1  HIS  45           HE1      HIS  45  -9.407  -9.497   7.494
  362    HE2  HIS  45           HE2      HIS  45 -10.276  -9.096   5.162
  363    H    ASP  46           HN       ASP  46  -7.642 -10.268   2.061
  364    HA   ASP  46           HA       ASP  46  -8.728 -12.695   3.238
  365   1HB   ASP  46          HB2       ASP  46 -10.142 -10.657   2.748
  366   2HB   ASP  46          HB1       ASP  46  -9.925 -11.004   1.035
  367    H    PHE  47           HN       PHE  47  -7.110 -11.618   0.384
  368    HA   PHE  47           HA       PHE  47  -7.808 -13.978  -1.148
  369   1HB   PHE  47          HB2       PHE  47  -6.253 -11.507  -1.682
  370   2HB   PHE  47          HB1       PHE  47  -5.861 -12.930  -2.636
  371    HD1  PHE  47           HD1      PHE  47  -9.173 -11.842  -1.353
  372    HD2  PHE  47           HD2      PHE  47  -6.683 -12.440  -4.752
  373    HE1  PHE  47           HE1      PHE  47 -11.090 -11.397  -2.829
  374    HE2  PHE  47           HE2      PHE  47  -8.595 -11.995  -6.235
  375    HZ   PHE  47           HZ       PHE  47 -10.802 -11.472  -5.274
  376    H    MET  48           HN       MET  48  -4.738 -12.699   0.220
  377    HA   MET  48           HA       MET  48  -3.105 -14.797  -0.539
  378   1HB   MET  48          HB2       MET  48  -1.763 -14.256   1.555
  379   2HB   MET  48          HB1       MET  48  -2.012 -12.958   0.399
  380   1HG   MET  48          HG2       MET  48  -4.141 -12.681   2.114
  381   2HG   MET  48          HG1       MET  48  -2.825 -13.175   3.176
  382   1HE   MET  48          HE1       MET  48  -2.879 -11.156   4.512
  383   2HE   MET  48          HE2       MET  48  -1.916  -9.736   4.105
  384   3HE   MET  48          HE3       MET  48  -1.154 -11.325   4.190
  385    H    GLN  49           HN       GLN  49  -5.627 -14.824   1.802
  386    HA   GLN  49           HA       GLN  49  -4.638 -17.253   3.056
  387   1HB   GLN  49          HB2       GLN  49  -6.363 -15.139   3.850
  388   2HB   GLN  49          HB1       GLN  49  -7.303 -16.623   3.877
  389   1HG   GLN  49          HG2       GLN  49  -4.795 -17.175   5.066
  390   2HG   GLN  49          HG1       GLN  49  -5.406 -15.677   5.763
  391   1HE2  GLN  49          HE21      GLN  49  -6.881 -18.723   4.686
  392   2HE2  GLN  49          HE22      GLN  49  -7.744 -19.022   6.152
  393    H    GLY  50           HN       GLY  50  -5.725 -16.938   0.166
  394   1HA   GLY  50          HA2       GLY  50  -6.446 -18.838  -1.093
  395   2HA   GLY  50          HA1       GLY  50  -7.372 -19.369   0.303
  396    H    GLY  51           HN       GLY  51  -7.398 -16.073  -0.907
  397   1HA   GLY  51          HA2       GLY  51 -10.229 -16.474  -1.640
  398   2HA   GLY  51          HA1       GLY  51  -9.563 -14.965  -1.037
  399    H    GLY  52           HN       GLY  52  -7.779 -16.824  -3.367
  400   1HA   GLY  52          HA2       GLY  52  -7.811 -16.604  -5.736
  401   2HA   GLY  52          HA1       GLY  52  -8.751 -15.130  -5.558
  402    H    SER  53           HN       SER  53  -5.943 -15.658  -3.582
  403    HA   SER  53           HA       SER  53  -4.728 -13.244  -4.300
  404   1HB   SER  53          HB2       SER  53  -4.330 -15.102  -2.328
  405   2HB   SER  53          HB1       SER  53  -2.894 -15.332  -3.324
  406    HG   SER  53           HG       SER  53  -3.753 -12.773  -2.481
  407    H    GLY  54           HN       GLY  54  -4.695 -16.299  -5.873
  408   1HA   GLY  54          HA2       GLY  54  -2.194 -15.955  -7.234
  409   2HA   GLY  54          HA1       GLY  54  -3.416 -17.165  -7.589
  410    H    GLY  55           HN       GLY  55  -2.792 -13.679  -7.918
  411   1HA   GLY  55          HA2       GLY  55  -2.755 -13.049 -10.395
  412   2HA   GLY  55          HA1       GLY  55  -4.376 -13.725 -10.408
  413    H    LYS  56           HN       LYS  56  -4.265 -12.419  -7.473
  414    HA   LYS  56           HA       LYS  56  -5.610  -9.996  -8.349
  415   1HB   LYS  56          HB2       LYS  56  -6.594 -11.460  -6.599
  416   2HB   LYS  56          HB1       LYS  56  -5.223 -11.097  -5.562
  417   1HG   LYS  56          HG2       LYS  56  -6.789  -8.821  -6.640
  418   2HG   LYS  56          HG1       LYS  56  -7.512  -9.802  -5.365
  419   1HD   LYS  56          HD2       LYS  56  -4.823  -8.440  -5.228
  420   2HD   LYS  56          HD1       LYS  56  -6.301  -7.880  -4.450
  421   1HE   LYS  56          HE2       LYS  56  -5.854  -9.149  -2.698
  422   2HE   LYS  56          HE1       LYS  56  -5.910 -10.586  -3.715
  423   1HZ   LYS  56          HZ1       LYS  56  -3.797 -10.717  -2.912
  424   2HZ   LYS  56          HZ2       LYS  56  -3.597  -9.042  -2.800
  425   3HZ   LYS  56          HZ3       LYS  56  -3.498  -9.806  -4.306
  426    H    LEU  57           HN       LEU  57  -2.730 -10.938  -6.556
  427    HA   LEU  57           HA       LEU  57  -2.041  -8.378  -5.639
  428   1HB   LEU  57          HB2       LEU  57  -0.933 -10.973  -5.536
  429   2HB   LEU  57          HB1       LEU  57   0.314  -9.924  -6.178
  430    HG   LEU  57           HG       LEU  57   0.770  -9.773  -3.943
  431   1HD1  LEU  57          HD11      LEU  57  -1.366  -7.677  -3.905
  432   2HD1  LEU  57          HD12      LEU  57   0.043  -7.512  -4.953
  433   3HD1  LEU  57          HD13      LEU  57   0.252  -7.633  -3.208
  434   1HD2  LEU  57          HD21      LEU  57  -1.879 -10.778  -3.671
  435   2HD2  LEU  57          HD22      LEU  57  -1.678  -9.409  -2.577
  436   3HD2  LEU  57          HD23      LEU  57  -0.569 -10.776  -2.492
  437    H    GLN  58           HN       GLN  58  -2.047  -9.556  -8.821
  438    HA   GLN  58           HA       GLN  58   0.157  -7.889  -9.677
  439   1HB   GLN  58          HB2       GLN  58  -0.386  -8.695 -11.951
  440   2HB   GLN  58          HB1       GLN  58  -0.132 -10.008 -10.811
  441   1HG   GLN  58          HG2       GLN  58  -2.012 -10.828 -11.684
  442   2HG   GLN  58          HG1       GLN  58  -2.805  -9.676 -10.616
  443   1HE2  GLN  58          HE21      GLN  58  -4.335 -10.306 -12.561
  444   2HE2  GLN  58          HE22      GLN  58  -4.364  -9.137 -13.833
  445    H    GLU  59           HN       GLU  59  -3.363  -7.957 -10.212
  446    HA   GLU  59           HA       GLU  59  -3.250  -5.338 -11.454
  447   1HB   GLU  59          HB2       GLU  59  -5.274  -7.477 -11.160
  448   2HB   GLU  59          HB1       GLU  59  -5.900  -5.834 -11.201
  449   1HG   GLU  59          HG2       GLU  59  -4.590  -5.500 -13.316
  450   2HG   GLU  59          HG1       GLU  59  -4.267  -7.232 -13.298
  451    H    MET  60           HN       MET  60  -4.095  -6.783  -8.400
  452    HA   MET  60           HA       MET  60  -5.400  -4.438  -7.379
  453   1HB   MET  60          HB2       MET  60  -5.669  -6.932  -6.646
  454   2HB   MET  60          HB1       MET  60  -4.274  -6.590  -5.630
  455   1HG   MET  60          HG2       MET  60  -5.786  -5.958  -4.122
  456   2HG   MET  60          HG1       MET  60  -5.871  -4.471  -5.066
  457   1HE   MET  60          HE1       MET  60  -7.358  -3.733  -6.419
  458   2HE   MET  60          HE2       MET  60  -9.003  -3.842  -5.794
  459   3HE   MET  60          HE3       MET  60  -8.579  -4.645  -7.306
  460    H    MET  61           HN       MET  61  -2.139  -5.744  -7.388
  461    HA   MET  61           HA       MET  61  -1.035  -4.276  -5.287
  462   1HB   MET  61          HB2       MET  61   0.402  -5.862  -6.194
  463   2HB   MET  61          HB1       MET  61   0.093  -5.351  -7.847
  464   1HG   MET  61          HG2       MET  61   1.455  -3.459  -6.003
  465   2HG   MET  61          HG1       MET  61   2.366  -4.829  -6.635
  466   1HE   MET  61          HE1       MET  61   3.205  -1.375  -8.611
  467   2HE   MET  61          HE2       MET  61   4.008  -2.661  -7.711
  468   3HE   MET  61          HE3       MET  61   2.793  -1.657  -6.920
  469    H    LYS  62           HN       LYS  62  -1.858  -3.294  -8.547
  470    HA   LYS  62           HA       LYS  62  -0.485  -0.818  -8.531
  471   1HB   LYS  62          HB2       LYS  62  -1.360  -2.005 -10.566
  472   2HB   LYS  62          HB1       LYS  62  -2.977  -1.505 -10.093
  473   1HG   LYS  62          HG2       LYS  62  -1.968   0.883 -10.104
  474   2HG   LYS  62          HG1       LYS  62  -0.703   0.150 -11.092
  475   1HD   LYS  62          HD2       LYS  62  -2.109  -0.228 -12.854
  476   2HD   LYS  62          HD1       LYS  62  -3.530  -0.398 -11.822
  477   1HE   LYS  62          HE2       LYS  62  -3.481   2.036 -11.413
  478   2HE   LYS  62          HE1       LYS  62  -2.119   2.174 -12.525
  479   1HZ   LYS  62          HZ1       LYS  62  -3.862   0.890 -14.058
  480   2HZ   LYS  62          HZ2       LYS  62  -3.761   2.577 -13.990
  481   3HZ   LYS  62          HZ3       LYS  62  -4.940   1.763 -13.089
  482    H    GLU  63           HN       GLU  63  -3.516  -1.861  -7.194
  483    HA   GLU  63           HA       GLU  63  -4.710   0.707  -6.961
  484   1HB   GLU  63          HB2       GLU  63  -5.789  -1.657  -6.791
  485   2HB   GLU  63          HB1       GLU  63  -5.343  -1.549  -5.093
  486   1HG   GLU  63          HG2       GLU  63  -7.472  -0.730  -5.037
  487   2HG   GLU  63          HG1       GLU  63  -6.546   0.759  -5.221
  488    H    PHE  64           HN       PHE  64  -2.633  -1.204  -4.831
  489    HA   PHE  64           HA       PHE  64  -2.880   0.747  -2.710
  490   1HB   PHE  64          HB2       PHE  64  -1.924  -0.811  -1.327
  491   2HB   PHE  64          HB1       PHE  64  -2.514  -1.895  -2.579
  492    HD1  PHE  64           HD1      PHE  64   0.503  -0.026  -1.495
  493    HD2  PHE  64           HD2      PHE  64  -1.062  -3.343  -3.643
  494    HE1  PHE  64           HE1      PHE  64   2.779  -0.915  -1.776
  495    HE2  PHE  64           HE2      PHE  64   1.212  -4.234  -3.939
  496    HZ   PHE  64           HZ       PHE  64   3.136  -3.016  -3.000
  497    H    GLN  65           HN       GLN  65  -0.744  -0.002  -5.317
  498    HA   GLN  65           HA       GLN  65   1.401   1.674  -4.349
  499   1HB   GLN  65          HB2       GLN  65   1.576  -0.419  -5.891
  500   2HB   GLN  65          HB1       GLN  65   1.150   0.700  -7.179
  501   1HG   GLN  65          HG2       GLN  65   3.401   1.348  -5.331
  502   2HG   GLN  65          HG1       GLN  65   3.641   0.206  -6.653
  503   1HE2  GLN  65          HE21      GLN  65   3.752   3.401  -5.764
  504   2HE2  GLN  65          HE22      GLN  65   3.758   4.123  -7.333
  505    H    GLN  66           HN       GLN  66  -1.375   1.923  -6.446
  506    HA   GLN  66           HA       GLN  66  -0.672   4.257  -7.847
  507   1HB   GLN  66          HB2       GLN  66  -2.517   2.915  -8.611
  508   2HB   GLN  66          HB1       GLN  66  -3.373   3.134  -7.092
  509   1HG   GLN  66          HG2       GLN  66  -2.754   5.671  -8.321
  510   2HG   GLN  66          HG1       GLN  66  -3.656   4.626  -9.417
  511   1HE2  GLN  66          HE21      GLN  66  -5.542   5.765  -9.340
  512   2HE2  GLN  66          HE22      GLN  66  -6.533   5.875  -7.928
  513    H    VAL  67           HN       VAL  67  -2.130   3.739  -4.699
  514    HA   VAL  67           HA       VAL  67  -3.065   6.273  -4.088
  515    HB   VAL  67           HB       VAL  67  -1.661   4.331  -2.233
  516   1HG1  VAL  67          HG11      VAL  67  -2.422   5.501  -0.425
  517   2HG1  VAL  67          HG12      VAL  67  -3.780   6.191  -1.306
  518   3HG1  VAL  67          HG13      VAL  67  -2.160   6.835  -1.546
  519   1HG2  VAL  67          HG21      VAL  67  -3.384   3.020  -2.820
  520   2HG2  VAL  67          HG22      VAL  67  -4.320   4.365  -3.473
  521   3HG2  VAL  67          HG23      VAL  67  -4.310   4.059  -1.736
  522    H    LEU  68           HN       LEU  68   0.215   5.002  -3.922
  523    HA   LEU  68           HA       LEU  68   1.359   7.358  -2.756
  524   1HB   LEU  68          HB2       LEU  68   2.300   4.768  -3.796
  525   2HB   LEU  68          HB1       LEU  68   3.452   6.090  -3.887
  526    HG   LEU  68           HG       LEU  68   2.627   6.415  -1.349
  527   1HD1  LEU  68          HD11      LEU  68   2.861   3.659  -0.855
  528   2HD1  LEU  68          HD12      LEU  68   1.625   3.833  -2.100
  529   3HD1  LEU  68          HD13      LEU  68   1.461   4.693  -0.568
  530   1HD2  LEU  68          HD21      LEU  68   4.842   6.202  -1.236
  531   2HD2  LEU  68          HD22      LEU  68   4.883   5.243  -2.714
  532   3HD2  LEU  68          HD23      LEU  68   4.620   4.455  -1.159
  533    H    ASP  69           HN       ASP  69   0.101   6.792  -5.804
  534    HA   ASP  69           HA       ASP  69   2.047   8.249  -7.347
  535   1HB   ASP  69          HB2       ASP  69  -0.805   7.501  -8.044
  536   2HB   ASP  69          HB1       ASP  69   0.399   8.123  -9.165
  537    H    GLU  70           HN       GLU  70  -1.322   8.900  -6.310
  538    HA   GLU  70           HA       GLU  70  -1.475  11.580  -7.080
  539   1HB   GLU  70          HB2       GLU  70  -3.233   9.967  -5.912
  540   2HB   GLU  70          HB1       GLU  70  -2.620  10.714  -4.440
  541   1HG   GLU  70          HG2       GLU  70  -4.675  11.763  -5.356
  542   2HG   GLU  70          HG1       GLU  70  -3.319  12.868  -5.137
  543    H    LEU  71           HN       LEU  71   0.015  10.004  -4.423
  544    HA   LEU  71           HA       LEU  71   0.651  12.323  -2.887
  545   1HB   LEU  71          HB2       LEU  71   0.291  10.372  -1.689
  546   2HB   LEU  71          HB1       LEU  71   1.201   9.396  -2.816
  547    HG   LEU  71           HG       LEU  71   3.119  11.085  -1.753
  548   1HD1  LEU  71          HD11      LEU  71   0.896  10.849   0.076
  549   2HD1  LEU  71          HD12      LEU  71   2.341  11.850   0.187
  550   3HD1  LEU  71          HD13      LEU  71   2.376  10.180   0.755
  551   1HD2  LEU  71          HD21      LEU  71   2.257   8.265  -1.300
  552   2HD2  LEU  71          HD22      LEU  71   3.599   8.936  -0.384
  553   3HD2  LEU  71          HD23      LEU  71   3.677   8.875  -2.145
  554    H    ASN  72           HN       ASN  72   2.762   9.877  -4.396
  555    HA   ASN  72           HA       ASN  72   5.152  11.207  -4.179
  556   1HB   ASN  72          HB2       ASN  72   4.824   8.846  -4.946
  557   2HB   ASN  72          HB1       ASN  72   4.372   9.475  -6.527
  558   1HD2  ASN  72          HD21      ASN  72   6.053   8.616  -7.649
  559   2HD2  ASN  72          HD22      ASN  72   7.697   9.098  -7.429
  560    H    ASN  73           HN       ASN  73   2.556  11.878  -6.371
  561    HA   ASN  73           HA       ASN  73   4.218  13.505  -8.108
  562   1HB   ASN  73          HB2       ASN  73   1.388  12.569  -8.135
  563   2HB   ASN  73          HB1       ASN  73   1.786  14.029  -9.035
  564   1HD2  ASN  73          HD21      ASN  73   3.371  10.899  -8.480
  565   2HD2  ASN  73          HD22      ASN  73   3.654  10.556 -10.149
  566    H    HIS  74           HN       HIS  74   3.070  14.036  -5.112
  567    HA   HIS  74           HA       HIS  74   2.984  16.917  -5.555
  568   1HB   HIS  74          HB2       HIS  74   0.734  15.351  -4.305
  569   2HB   HIS  74          HB1       HIS  74   0.954  17.078  -4.042
  570    HD1  HIS  74           HD1      HIS  74   0.680  18.628  -6.168
  571    HD2  HIS  74           HD2      HIS  74  -0.442  14.663  -6.700
  572    HE1  HIS  74           HE1      HIS  74  -0.674  18.591  -8.287
  573    HE2  HIS  74           HE2      HIS  74  -1.249  16.165  -8.645
  574    H    LEU  75           HN       LEU  75   4.824  14.984  -4.227
  575    HA   LEU  75           HA       LEU  75   4.743  15.058  -1.452
  576   1HB   LEU  75          HB2       LEU  75   6.754  14.678  -3.495
  577   2HB   LEU  75          HB1       LEU  75   7.414  15.616  -2.172
  578    HG   LEU  75           HG       LEU  75   7.941  13.438  -1.590
  579   1HD1  LEU  75          HD11      LEU  75   6.538  14.764   0.131
  580   2HD1  LEU  75          HD12      LEU  75   6.839  13.050   0.414
  581   3HD1  LEU  75          HD13      LEU  75   5.281  13.578  -0.225
  582   1HD2  LEU  75          HD21      LEU  75   5.161  12.518  -2.271
  583   2HD2  LEU  75          HD22      LEU  75   6.563  11.525  -1.879
  584   3HD2  LEU  75          HD23      LEU  75   6.522  12.437  -3.388
  585    H    GLN  76           HN       GLN  76   3.849  16.981  -0.710
  586    HA   GLN  76           HA       GLN  76   4.655  19.540  -1.506
  587   1HB   GLN  76          HB2       GLN  76   2.522  18.844  -0.273
  588   2HB   GLN  76          HB1       GLN  76   3.483  18.910   1.197
  589   1HG   GLN  76          HG2       GLN  76   3.635  21.179   1.167
  590   2HG   GLN  76          HG1       GLN  76   3.535  21.275  -0.591
  591   1HE2  GLN  76          HE21      GLN  76   2.095  22.891   1.229
  592   2HE2  GLN  76          HE22      GLN  76   0.412  22.561   1.012
  593    H    GLY  77           HN       GLY  77   7.042  18.961  -1.387
  594   1HA   GLY  77          HA2       GLY  77   9.108  19.301  -0.444
  595   2HA   GLY  77          HA1       GLY  77   8.300  20.475   0.583
  596    H    GLY  78           HN       GLY  78   7.431  17.092   0.596
  597   1HA   GLY  78          HA2       GLY  78   8.926  16.705   3.099
  598   2HA   GLY  78          HA1       GLY  78   7.192  16.421   3.082
  599    H    LYS  79           HN       LYS  79   9.760  15.623   0.761
  600    HA   LYS  79           HA       LYS  79   8.733  13.166  -0.003
  601   1HB   LYS  79          HB2       LYS  79  11.141  12.663  -0.685
  602   2HB   LYS  79          HB1       LYS  79  10.388  14.088  -1.388
  603   1HG   LYS  79          HG2       LYS  79  11.871  15.468  -0.458
  604   2HG   LYS  79          HG1       LYS  79  11.798  14.646   1.101
  605   1HD   LYS  79          HD2       LYS  79  13.343  13.681  -1.304
  606   2HD   LYS  79          HD1       LYS  79  14.038  14.535   0.074
  607   1HE   LYS  79          HE2       LYS  79  12.423  12.177   0.758
  608   2HE   LYS  79          HE1       LYS  79  13.892  11.834  -0.156
  609   1HZ   LYS  79          HZ1       LYS  79  14.106  13.653   2.123
  610   2HZ   LYS  79          HZ2       LYS  79  15.218  12.521   1.535
  611   3HZ   LYS  79          HZ3       LYS  79  13.895  12.007   2.455
  612    H    HIS  80           HN       HIS  80  10.856  13.959   2.679
  613    HA   HIS  80           HA       HIS  80  11.860  11.542   3.422
  614   1HB   HIS  80          HB2       HIS  80  11.847  12.349   5.741
  615   2HB   HIS  80          HB1       HIS  80  12.338  13.621   4.627
  616    HD1  HIS  80           HD1      HIS  80  10.959  15.729   4.597
  617    HD2  HIS  80           HD2      HIS  80   9.197  12.683   6.806
  618    HE1  HIS  80           HE1      HIS  80   9.012  16.796   5.779
  619    HE2  HIS  80           HE2      HIS  80   7.905  14.912   7.032
  620    H    THR  81           HN       THR  81   8.543  12.608   3.749
  621    HA   THR  81           HA       THR  81   7.699  10.491   5.458
  622    HB   THR  81           HB       THR  81   6.378  12.573   3.785
  623    HG1  THR  81           HG1      THR  81   6.171  11.730   6.481
  624   1HG2  THR  81          HG21      THR  81   5.088  10.006   4.440
  625   2HG2  THR  81          HG22      THR  81   4.699  11.206   3.199
  626   3HG2  THR  81          HG23      THR  81   4.184  11.464   4.869
  627    H    VAL  82           HN       VAL  82   6.639  11.065   2.136
  628    HA   VAL  82           HA       VAL  82   5.799   8.514   1.550
  629    HB   VAL  82           HB       VAL  82   7.151  10.358  -0.426
  630   1HG1  VAL  82          HG11      VAL  82   6.820   8.226  -1.413
  631   2HG1  VAL  82          HG12      VAL  82   5.511   9.253  -1.998
  632   3HG1  VAL  82          HG13      VAL  82   5.204   8.076  -0.722
  633   1HG2  VAL  82          HG21      VAL  82   4.345  10.328   0.657
  634   2HG2  VAL  82          HG22      VAL  82   4.780  11.118  -0.857
  635   3HG2  VAL  82          HG23      VAL  82   5.499  11.657   0.657
  636    H    HIS  83           HN       HIS  83   9.106   9.826   1.344
  637    HA   HIS  83           HA       HIS  83  10.338   7.772  -0.034
  638   1HB   HIS  83          HB2       HIS  83  11.187   9.924   1.644
  639   2HB   HIS  83          HB1       HIS  83  12.053   8.476   2.140
  640    HD1  HIS  83           HD1      HIS  83  13.889   7.638   0.624
  641    HD2  HIS  83           HD2      HIS  83  11.664  10.710  -1.071
  642    HE1  HIS  83           HE1      HIS  83  15.134   8.300  -1.458
  643    HE2  HIS  83           HE2      HIS  83  13.722  10.099  -2.513
  644    H    HIS  84           HN       HIS  84   9.438   7.956   3.367
  645    HA   HIS  84           HA       HIS  84  10.516   5.370   3.996
  646   1HB   HIS  84          HB2       HIS  84  10.121   7.351   5.607
  647   2HB   HIS  84          HB1       HIS  84   8.444   6.817   5.633
  648    HD1  HIS  84           HD1      HIS  84   7.897   4.708   6.963
  649    HD2  HIS  84           HD2      HIS  84  11.956   5.588   6.851
  650    HE1  HIS  84           HE1      HIS  84   8.961   3.191   8.663
  651    HE2  HIS  84           HE2      HIS  84  11.407   3.794   8.630
  652    H    ILE  85           HN       ILE  85   7.498   6.618   2.824
  653    HA   ILE  85           HA       ILE  85   6.079   4.168   3.409
  654    HB   ILE  85           HB       ILE  85   4.162   5.281   3.098
  655   1HG1  ILE  85          HG12      ILE  85   5.062   7.035   0.865
  656   2HG1  ILE  85          HG11      ILE  85   4.705   5.342   0.560
  657   1HG2  ILE  85          HG21      ILE  85   4.301   7.755   3.260
  658   2HG2  ILE  85          HG22      ILE  85   6.047   7.584   3.123
  659   3HG2  ILE  85          HG23      ILE  85   5.200   6.854   4.482
  660   1HD1  ILE  85          HD11      ILE  85   2.666   6.808   2.082
  661   2HD1  ILE  85          HD12      ILE  85   2.491   5.623   0.790
  662   3HD1  ILE  85          HD13      ILE  85   2.880   7.296   0.403
  663    H    GLU  86           HN       GLU  86   7.554   5.723   0.618
  664    HA   GLU  86           HA       GLU  86   6.506   3.875  -1.291
  665   1HB   GLU  86          HB2       GLU  86   8.425   4.778  -2.731
  666   2HB   GLU  86          HB1       GLU  86   7.193   5.921  -2.221
  667   1HG   GLU  86          HG2       GLU  86   8.664   7.180  -1.160
  668   2HG   GLU  86          HG1       GLU  86   9.380   5.794  -0.342
  669    H    GLN  87           HN       GLN  87   9.586   4.129   0.483
  670    HA   GLN  87           HA       GLN  87  10.791   1.876  -0.714
  671   1HB   GLN  87          HB2       GLN  87  11.190   3.193   1.976
  672   2HB   GLN  87          HB1       GLN  87  12.144   1.813   1.453
  673   1HG   GLN  87          HG2       GLN  87  12.130   4.608   0.401
  674   2HG   GLN  87          HG1       GLN  87  13.488   3.620   0.930
  675   1HE2  GLN  87          HE21      GLN  87  11.079   4.006  -1.603
  676   2HE2  GLN  87          HE22      GLN  87  12.013   3.285  -2.863
  677    H    ASN  88           HN       ASN  88   8.418   2.294   1.767
  678    HA   ASN  88           HA       ASN  88   8.524  -0.446   2.674
  679   1HB   ASN  88          HB2       ASN  88   7.056   2.020   3.426
  680   2HB   ASN  88          HB1       ASN  88   6.209   0.500   3.708
  681   1HD2  ASN  88          HD21      ASN  88   9.352   2.045   4.231
  682   2HD2  ASN  88          HD22      ASN  88   9.641   1.328   5.777
  683    H    ILE  89           HN       ILE  89   5.911   1.550   1.271
  684    HA   ILE  89           HA       ILE  89   4.233  -0.537   0.589
  685    HB   ILE  89           HB       ILE  89   4.312   2.283   0.059
  686   1HG1  ILE  89          HG12      ILE  89   1.815   0.928  -0.485
  687   2HG1  ILE  89          HG11      ILE  89   2.586   0.319   0.981
  688   1HG2  ILE  89          HG21      ILE  89   4.584   2.073  -2.240
  689   2HG2  ILE  89          HG22      ILE  89   2.829   2.085  -2.052
  690   3HG2  ILE  89          HG23      ILE  89   3.674   0.565  -2.314
  691   1HD1  ILE  89          HD11      ILE  89   1.178   2.795   0.543
  692   2HD1  ILE  89          HD12      ILE  89   2.807   3.099   1.146
  693   3HD1  ILE  89          HD13      ILE  89   1.712   2.055   2.050
  694    H    LYS  90           HN       LYS  90   6.643   1.065  -1.498
  695    HA   LYS  90           HA       LYS  90   6.125  -0.549  -3.716
  696   1HB   LYS  90          HB2       LYS  90   8.792   0.677  -2.972
  697   2HB   LYS  90          HB1       LYS  90   8.299   0.156  -4.577
  698   1HG   LYS  90          HG2       LYS  90   6.617   2.180  -3.209
  699   2HG   LYS  90          HG1       LYS  90   8.193   2.688  -3.821
  700   1HD   LYS  90          HD2       LYS  90   6.104   1.266  -5.466
  701   2HD   LYS  90          HD1       LYS  90   6.330   3.016  -5.439
  702   1HE   LYS  90          HE2       LYS  90   8.838   2.287  -5.969
  703   2HE   LYS  90          HE1       LYS  90   8.005   0.895  -6.658
  704   1HZ   LYS  90          HZ1       LYS  90   7.992   2.270  -8.444
  705   2HZ   LYS  90          HZ2       LYS  90   7.989   3.686  -7.519
  706   3HZ   LYS  90          HZ3       LYS  90   6.559   2.806  -7.721
  707    H    GLU  91           HN       GLU  91   7.942  -1.087  -0.821
  708    HA   GLU  91           HA       GLU  91   9.094  -3.570  -1.818
  709   1HB   GLU  91          HB2       GLU  91  10.437  -2.055  -0.374
  710   2HB   GLU  91          HB1       GLU  91   9.290  -2.324   0.931
  711   1HG   GLU  91          HG2       GLU  91  10.371  -4.147   1.549
  712   2HG   GLU  91          HG1       GLU  91  10.167  -4.849  -0.055
  713    H    ILE  92           HN       ILE  92   6.173  -2.609  -0.634
  714    HA   ILE  92           HA       ILE  92   5.618  -4.790   1.131
  715    HB   ILE  92           HB       ILE  92   4.259  -2.363   0.304
  716   1HG1  ILE  92          HG12      ILE  92   3.353  -2.488   2.546
  717   2HG1  ILE  92          HG11      ILE  92   3.817  -4.181   2.675
  718   1HG2  ILE  92          HG21      ILE  92   2.566  -4.832   0.609
  719   2HG2  ILE  92          HG22      ILE  92   2.737  -3.853  -0.847
  720   3HG2  ILE  92          HG23      ILE  92   1.964  -3.174   0.584
  721   1HD1  ILE  92          HD11      ILE  92   5.479  -1.734   2.863
  722   2HD1  ILE  92          HD12      ILE  92   6.217  -3.202   2.219
  723   3HD1  ILE  92          HD13      ILE  92   5.509  -3.204   3.836
  724    H    PHE  93           HN       PHE  93   4.992  -3.918  -2.218
  725    HA   PHE  93           HA       PHE  93   3.298  -6.052  -2.890
  726   1HB   PHE  93          HB2       PHE  93   3.454  -5.255  -5.023
  727   2HB   PHE  93          HB1       PHE  93   4.225  -3.885  -4.229
  728    HD1  PHE  93           HD1      PHE  93   4.506  -5.818  -6.988
  729    HD2  PHE  93           HD2      PHE  93   6.847  -4.579  -3.663
  730    HE1  PHE  93           HE1      PHE  93   6.557  -6.243  -8.276
  731    HE2  PHE  93           HE2      PHE  93   8.895  -5.004  -4.935
  732    HZ   PHE  93           HZ       PHE  93   8.762  -5.828  -7.255
  733    H    HIS  94           HN       HIS  94   6.730  -5.880  -2.376
  734    HA   HIS  94           HA       HIS  94   7.555  -8.142  -3.819
  735   1HB   HIS  94          HB2       HIS  94   8.967  -6.297  -2.654
  736   2HB   HIS  94          HB1       HIS  94   8.838  -7.320  -1.227
  737    HD1  HIS  94           HD1      HIS  94  10.896  -6.780  -4.126
  738    HD2  HIS  94           HD2      HIS  94   9.868 -10.060  -1.790
  739    HE1  HIS  94           HE1      HIS  94  12.637  -8.526  -4.615
  740    HE2  HIS  94           HE2      HIS  94  11.965 -10.523  -3.233
  741    H    HIS  95           HN       HIS  95   7.154  -7.878  -0.294
  742    HA   HIS  95           HA       HIS  95   7.125 -10.657   0.154
  743   1HB   HIS  95          HB2       HIS  95   6.517  -8.227   1.724
  744   2HB   HIS  95          HB1       HIS  95   5.715  -9.696   2.271
  745    HD1  HIS  95           HD1      HIS  95   7.013 -10.897   3.985
  746    HD2  HIS  95           HD2      HIS  95   9.484  -8.840   1.352
  747    HE1  HIS  95           HE1      HIS  95   9.355 -11.315   4.798
  748    HE2  HIS  95           HE2      HIS  95  10.829  -9.997   3.235
  749    H    LEU  96           HN       LEU  96   4.846  -8.657  -1.331
  750    HA   LEU  96           HA       LEU  96   2.542 -10.239  -0.514
  751   1HB   LEU  96          HB2       LEU  96   2.929  -7.820  -2.252
  752   2HB   LEU  96          HB1       LEU  96   1.407  -8.698  -2.239
  753    HG   LEU  96           HG       LEU  96   2.708  -7.449   0.165
  754   1HD1  LEU  96          HD11      LEU  96   0.405  -6.528  -1.548
  755   2HD1  LEU  96          HD12      LEU  96   1.959  -5.725  -1.339
  756   3HD1  LEU  96          HD13      LEU  96   0.827  -5.827   0.013
  757   1HD2  LEU  96          HD21      LEU  96  -0.142  -8.100   0.236
  758   2HD2  LEU  96          HD22      LEU  96   1.109  -8.335   1.456
  759   3HD2  LEU  96          HD23      LEU  96   0.921  -9.503   0.147
  760    H    GLU  97           HN       GLU  97   3.914  -9.273  -3.656
  761    HA   GLU  97           HA       GLU  97   2.628 -11.371  -5.069
  762   1HB   GLU  97          HB2       GLU  97   4.661  -9.295  -5.691
  763   2HB   GLU  97          HB1       GLU  97   4.621 -10.702  -6.743
  764   1HG   GLU  97          HG2       GLU  97   2.148  -9.131  -6.113
  765   2HG   GLU  97          HG1       GLU  97   3.242  -8.672  -7.418
  766    H    GLU  98           HN       GLU  98   5.287 -11.338  -2.988
  767    HA   GLU  98           HA       GLU  98   6.643 -13.572  -4.289
  768   1HB   GLU  98          HB2       GLU  98   7.979 -11.798  -3.216
  769   2HB   GLU  98          HB1       GLU  98   7.246 -12.193  -1.666
  770   1HG   GLU  98          HG2       GLU  98   8.509 -14.447  -3.060
  771   2HG   GLU  98          HG1       GLU  98   9.606 -13.168  -2.540
  772    H    LEU  99           HN       LEU  99   4.125 -13.098  -2.093
  773    HA   LEU  99           HA       LEU  99   4.539 -15.496  -0.547
  774   1HB   LEU  99          HB2       LEU  99   3.451 -13.610   0.494
  775   2HB   LEU  99          HB1       LEU  99   2.223 -13.575  -0.757
  776    HG   LEU  99           HG       LEU  99   1.708 -16.005   0.101
  777   1HD1  LEU  99          HD11      LEU  99   3.604 -14.999   2.048
  778   2HD1  LEU  99          HD12      LEU  99   2.971 -16.630   1.822
  779   3HD1  LEU  99          HD13      LEU  99   2.070 -15.461   2.787
  780   1HD2  LEU  99          HD21      LEU  99   0.076 -14.271   0.163
  781   2HD2  LEU  99          HD22      LEU  99   0.915 -13.446   1.477
  782   3HD2  LEU  99          HD23      LEU  99   0.132 -14.999   1.769
  783    H    VAL 100           HN       VAL 100   2.054 -14.419  -2.866
  784    HA   VAL 100           HA       VAL 100   0.832 -16.955  -3.108
  785    HB   VAL 100           HB       VAL 100   0.761 -14.686  -5.100
  786   1HG1  VAL 100          HG11      VAL 100  -0.443 -16.120  -6.308
  787   2HG1  VAL 100          HG12      VAL 100  -1.686 -15.994  -5.064
  788   3HG1  VAL 100          HG13      VAL 100  -0.497 -17.294  -4.993
  789   1HG2  VAL 100          HG21      VAL 100  -1.395 -14.128  -3.903
  790   2HG2  VAL 100          HG22      VAL 100   0.090 -13.772  -3.023
  791   3HG2  VAL 100          HG23      VAL 100  -0.854 -15.204  -2.613
  792    H    HIS 101           HN       HIS 101   3.242 -15.272  -5.099
  793    HA   HIS 101           HA       HIS 101   3.383 -17.141  -7.176
  794   1HB   HIS 101          HB2       HIS 101   4.457 -14.767  -6.925
  795   2HB   HIS 101          HB1       HIS 101   5.823 -15.658  -6.260
  796    HD1  HIS 101           HD1      HIS 101   3.622 -16.144  -9.339
  797    HD2  HIS 101           HD2      HIS 101   7.623 -16.067  -8.222
  798    HE1  HIS 101           HE1      HIS 101   4.917 -16.598 -11.446
  799    HE2  HIS 101           HE2      HIS 101   7.337 -16.458 -10.762
  800    H    ARG 102           HN       ARG 102   4.733 -17.176  -3.968
  801    HA   ARG 102           HA       ARG 102   6.772 -19.063  -4.323
  802   1HB   ARG 102          HB2       ARG 102   6.405 -17.682  -2.272
  803   2HB   ARG 102          HB1       ARG 102   5.038 -18.713  -1.872
  804   1HG   ARG 102          HG2       ARG 102   6.840 -20.619  -2.103
  805   2HG   ARG 102          HG1       ARG 102   7.948 -19.289  -1.760
  806   1HD   ARG 102          HD2       ARG 102   6.556 -18.755   0.246
  807   2HD   ARG 102          HD1       ARG 102   5.639 -20.229  -0.066
  808    HE   ARG 102           HE       ARG 102   8.269 -20.031   1.075
  809   1HH1  ARG 102          HH11      ARG 102   6.049 -22.094  -0.653
  810   2HH1  ARG 102          HH12      ARG 102   6.807 -23.560  -0.126
  811   1HH2  ARG 102          HH21      ARG 102   9.267 -21.957   1.768
  812   2HH2  ARG 102          HH22      ARG 102   8.633 -23.482   1.247
  Start of MODEL    5
    1   1H    MET   1           HT1      MET   1  -1.113 -22.581   3.181
    2   2H    MET   1           HT2      MET   1  -1.296 -21.988   1.580
    3   3H    MET   1           HT3      MET   1  -2.503 -22.995   2.267
    4    HA   MET   1           HA       MET   1  -3.013 -20.590   2.164
    5   1HB   MET   1          HB2       MET   1  -3.117 -22.392   4.534
    6   2HB   MET   1          HB1       MET   1  -3.625 -20.723   4.759
    7   1HG   MET   1          HG2       MET   1  -5.523 -21.007   3.604
    8   2HG   MET   1          HG1       MET   1  -4.761 -22.048   2.403
    9   1HE   MET   1          HE1       MET   1  -6.549 -24.149   2.224
   10   2HE   MET   1          HE2       MET   1  -5.844 -25.431   3.210
   11   3HE   MET   1          HE3       MET   1  -4.799 -24.362   2.274
   12    H    TYR   2           HN       TYR   2  -1.882 -18.761   2.121
   13    HA   TYR   2           HA       TYR   2   0.080 -18.272   4.267
   14   1HB   TYR   2          HB2       TYR   2   0.076 -17.580   1.356
   15   2HB   TYR   2          HB1       TYR   2   0.918 -16.522   2.484
   16    HD1  TYR   2           HD1      TYR   2   0.906 -19.795   0.867
   17    HD2  TYR   2           HD2      TYR   2   2.892 -17.315   3.698
   18    HE1  TYR   2           HE1      TYR   2   2.851 -21.298   0.811
   19    HE2  TYR   2           HE2      TYR   2   4.843 -18.813   3.649
   20    HH   TYR   2           HH       TYR   2   5.702 -20.649   1.574
   21    H    GLY   3           HN       GLY   3  -0.727 -16.943   5.752
   22   1HA   GLY   3          HA2       GLY   3  -2.182 -14.557   4.818
   23   2HA   GLY   3          HA1       GLY   3  -2.810 -15.518   6.146
   24    H    LYS   4           HN       LYS   4   0.558 -15.462   6.200
   25    HA   LYS   4           HA       LYS   4   0.508 -13.635   8.461
   26   1HB   LYS   4          HB2       LYS   4   1.738 -15.853   8.508
   27   2HB   LYS   4          HB1       LYS   4   2.883 -15.151   7.371
   28   1HG   LYS   4          HG2       LYS   4   3.892 -14.902   9.458
   29   2HG   LYS   4          HG1       LYS   4   3.220 -13.310   9.097
   30   1HD   LYS   4          HD2       LYS   4   1.291 -13.790  10.507
   31   2HD   LYS   4          HD1       LYS   4   1.919 -15.405  10.837
   32   1HE   LYS   4          HE2       LYS   4   3.425 -12.883  11.494
   33   2HE   LYS   4          HE1       LYS   4   2.329 -13.671  12.627
   34   1HZ   LYS   4          HZ1       LYS   4   4.551 -14.396  13.058
   35   2HZ   LYS   4          HZ2       LYS   4   4.791 -14.829  11.442
   36   3HZ   LYS   4          HZ3       LYS   4   3.698 -15.698  12.394
   37    H    LEU   5           HN       LEU   5   1.306 -13.581   5.142
   38    HA   LEU   5           HA       LEU   5   3.288 -11.627   5.074
   39   1HB   LEU   5          HB2       LEU   5   1.790 -12.952   3.193
   40   2HB   LEU   5          HB1       LEU   5   1.176 -11.316   3.050
   41    HG   LEU   5           HG       LEU   5   2.936 -11.588   1.453
   42   1HD1  LEU   5          HD11      LEU   5   4.086 -10.063   3.780
   43   2HD1  LEU   5          HD12      LEU   5   2.801  -9.450   2.739
   44   3HD1  LEU   5          HD13      LEU   5   4.393  -9.797   2.063
   45   1HD2  LEU   5          HD21      LEU   5   4.012 -13.375   3.244
   46   2HD2  LEU   5          HD22      LEU   5   5.138 -12.020   3.313
   47   3HD2  LEU   5          HD23      LEU   5   4.788 -12.797   1.769
   48    H    ASN   6           HN       ASN   6   0.027 -11.492   6.114
   49    HA   ASN   6           HA       ASN   6  -0.589  -8.818   5.658
   50   1HB   ASN   6          HB2       ASN   6  -2.222  -9.062   7.484
   51   2HB   ASN   6          HB1       ASN   6  -2.298 -10.388   6.328
   52   1HD2  ASN   6          HD21      ASN   6  -3.344 -10.570   8.883
   53   2HD2  ASN   6          HD22      ASN   6  -2.427 -11.722   9.787
   54    H    ASP   7           HN       ASP   7   0.998 -10.386   8.405
   55    HA   ASP   7           HA       ASP   7   1.218  -8.257  10.141
   56   1HB   ASP   7          HB2       ASP   7   2.067 -10.728  10.331
   57   2HB   ASP   7          HB1       ASP   7   3.576 -10.064   9.712
   58    H    LEU   8           HN       LEU   8   2.854  -8.826   7.140
   59    HA   LEU   8           HA       LEU   8   4.782  -6.699   7.563
   60   1HB   LEU   8          HB2       LEU   8   5.602  -8.593   6.377
   61   2HB   LEU   8          HB1       LEU   8   4.231  -8.595   5.288
   62    HG   LEU   8           HG       LEU   8   6.494  -7.778   4.397
   63   1HD1  LEU   8          HD11      LEU   8   5.427  -6.569   2.776
   64   2HD1  LEU   8          HD12      LEU   8   4.374  -5.746   3.924
   65   3HD1  LEU   8          HD13      LEU   8   4.064  -7.427   3.492
   66   1HD2  LEU   8          HD21      LEU   8   7.441  -5.926   5.189
   67   2HD2  LEU   8          HD22      LEU   8   6.333  -6.055   6.554
   68   3HD2  LEU   8          HD23      LEU   8   5.914  -5.043   5.172
   69    H    LEU   9           HN       LEU   9   1.700  -7.223   6.011
   70    HA   LEU   9           HA       LEU   9   1.800  -4.904   4.341
   71   1HB   LEU   9          HB2       LEU   9  -0.324  -6.824   5.190
   72   2HB   LEU   9          HB1       LEU   9  -0.801  -5.301   4.461
   73    HG   LEU   9           HG       LEU   9   1.203  -7.040   3.074
   74   1HD1  LEU   9          HD11      LEU   9  -0.948  -8.304   3.788
   75   2HD1  LEU   9          HD12      LEU   9  -0.386  -8.416   2.121
   76   3HD1  LEU   9          HD13      LEU   9  -1.720  -7.337   2.531
   77   1HD2  LEU   9          HD21      LEU   9  -0.067  -6.009   1.103
   78   2HD2  LEU   9          HD22      LEU   9   0.978  -4.951   2.051
   79   3HD2  LEU   9          HD23      LEU   9  -0.769  -4.917   2.296
   80    H    GLU  10           HN       GLU  10   0.557  -5.613   7.567
   81    HA   GLU  10           HA       GLU  10  -0.991  -3.469   8.167
   82   1HB   GLU  10          HB2       GLU  10  -0.242  -5.385   9.687
   83   2HB   GLU  10          HB1       GLU  10   1.158  -4.391  10.066
   84   1HG   GLU  10          HG2       GLU  10  -0.268  -2.655  10.952
   85   2HG   GLU  10          HG1       GLU  10  -1.705  -3.564  10.486
   86    H    ASP  11           HN       ASP  11   2.487  -3.457   7.772
   87    HA   ASP  11           HA       ASP  11   2.873  -0.820   8.813
   88   1HB   ASP  11          HB2       ASP  11   4.545  -2.839   7.400
   89   2HB   ASP  11          HB1       ASP  11   5.071  -1.159   7.326
   90    H    LEU  12           HN       LEU  12   2.851  -2.181   5.531
   91    HA   LEU  12           HA       LEU  12   3.219   0.119   4.082
   92   1HB   LEU  12          HB2       LEU  12   3.189  -1.437   2.512
   93   2HB   LEU  12          HB1       LEU  12   2.401  -2.564   3.585
   94    HG   LEU  12           HG       LEU  12   1.304  -2.231   1.362
   95   1HD1  LEU  12          HD11      LEU  12  -0.778  -1.388   3.231
   96   2HD1  LEU  12          HD12      LEU  12   0.195  -2.759   3.758
   97   3HD1  LEU  12          HD13      LEU  12  -0.655  -2.825   2.217
   98   1HD2  LEU  12          HD21      LEU  12   0.740  -0.247   0.585
   99   2HD2  LEU  12          HD22      LEU  12   1.531   0.480   1.982
  100   3HD2  LEU  12          HD23      LEU  12  -0.191   0.114   2.038
  101    H    GLN  13           HN       GLN  13   0.153  -1.142   5.365
  102    HA   GLN  13           HA       GLN  13  -1.398   0.945   4.181
  103   1HB   GLN  13          HB2       GLN  13  -2.426  -1.188   4.727
  104   2HB   GLN  13          HB1       GLN  13  -2.038  -0.979   6.427
  105   1HG   GLN  13          HG2       GLN  13  -3.493   1.295   5.703
  106   2HG   GLN  13          HG1       GLN  13  -4.320  -0.067   4.948
  107   1HE2  GLN  13          HE21      GLN  13  -5.299   1.574   7.071
  108   2HE2  GLN  13          HE22      GLN  13  -5.545   0.550   8.440
  109    H    GLU  14           HN       GLU  14   0.091   0.460   7.355
  110    HA   GLU  14           HA       GLU  14  -1.110   2.791   8.517
  111   1HB   GLU  14          HB2       GLU  14  -0.049   0.672   9.666
  112   2HB   GLU  14          HB1       GLU  14   1.438   1.602   9.549
  113   1HG   GLU  14          HG2       GLU  14  -0.111   3.470  10.630
  114   2HG   GLU  14          HG1       GLU  14  -0.953   2.044  11.230
  115    H    VAL  15           HN       VAL  15   1.701   2.106   6.640
  116    HA   VAL  15           HA       VAL  15   3.195   4.416   7.249
  117    HB   VAL  15           HB       VAL  15   3.831   2.228   5.953
  118   1HG1  VAL  15          HG11      VAL  15   3.213   2.017   3.847
  119   2HG1  VAL  15          HG12      VAL  15   3.979   3.546   3.445
  120   3HG1  VAL  15          HG13      VAL  15   2.297   3.514   3.958
  121   1HG2  VAL  15          HG21      VAL  15   5.007   4.868   5.127
  122   2HG2  VAL  15          HG22      VAL  15   5.810   3.295   5.166
  123   3HG2  VAL  15          HG23      VAL  15   5.313   4.069   6.671
  124    H    LEU  16           HN       LEU  16   0.415   3.844   5.303
  125    HA   LEU  16           HA       LEU  16   0.616   6.068   3.574
  126   1HB   LEU  16          HB2       LEU  16  -1.560   4.226   4.428
  127   2HB   LEU  16          HB1       LEU  16  -2.027   5.737   3.672
  128    HG   LEU  16           HG       LEU  16  -1.987   4.241   1.893
  129   1HD1  LEU  16          HD11      LEU  16  -0.220   4.905   0.461
  130   2HD1  LEU  16          HD12      LEU  16   0.838   5.263   1.824
  131   3HD1  LEU  16          HD13      LEU  16  -0.569   6.279   1.510
  132   1HD2  LEU  16          HD21      LEU  16   0.694   3.135   2.569
  133   2HD2  LEU  16          HD22      LEU  16  -0.622   2.408   1.648
  134   3HD2  LEU  16          HD23      LEU  16  -0.738   2.537   3.402
  135    H    LYS  17           HN       LYS  17  -0.738   5.610   6.794
  136    HA   LYS  17           HA       LYS  17  -2.207   7.873   7.194
  137   1HB   LYS  17          HB2       LYS  17  -1.846   6.141   8.911
  138   2HB   LYS  17          HB1       LYS  17  -0.197   6.707   9.132
  139   1HG   LYS  17          HG2       LYS  17  -1.408   7.637  10.903
  140   2HG   LYS  17          HG1       LYS  17  -1.210   8.953   9.744
  141   1HD   LYS  17          HD2       LYS  17  -3.644   7.251   9.546
  142   2HD   LYS  17          HD1       LYS  17  -3.550   8.427  10.859
  143   1HE   LYS  17          HE2       LYS  17  -2.776   9.456   8.219
  144   2HE   LYS  17          HE1       LYS  17  -4.464   8.965   8.355
  145   1HZ   LYS  17          HZ1       LYS  17  -3.026  11.083   9.802
  146   2HZ   LYS  17          HZ2       LYS  17  -4.369  10.351  10.524
  147   3HZ   LYS  17          HZ3       LYS  17  -4.534  11.142   9.037
  148    H    ASN  18           HN       ASN  18   1.255   7.579   6.937
  149    HA   ASN  18           HA       ASN  18   1.825  10.292   7.733
  150   1HB   ASN  18          HB2       ASN  18   3.489   8.177   6.339
  151   2HB   ASN  18          HB1       ASN  18   4.107   9.765   6.787
  152   1HD2  ASN  18          HD21      ASN  18   2.932   6.706   7.973
  153   2HD2  ASN  18          HD22      ASN  18   3.556   6.862   9.575
  154    H    LEU  19           HN       LEU  19   1.655   8.499   4.708
  155    HA   LEU  19           HA       LEU  19   2.423  10.374   2.877
  156   1HB   LEU  19          HB2       LEU  19   1.970   8.554   1.680
  157   2HB   LEU  19          HB1       LEU  19   0.896   7.934   2.911
  158    HG   LEU  19           HG       LEU  19  -0.161  10.031   1.078
  159   1HD1  LEU  19          HD11      LEU  19   0.681   8.768  -0.637
  160   2HD1  LEU  19          HD12      LEU  19  -0.854   7.951  -0.360
  161   3HD1  LEU  19          HD13      LEU  19   0.638   7.274   0.292
  162   1HD2  LEU  19          HD21      LEU  19  -2.049   8.163   1.295
  163   2HD2  LEU  19          HD22      LEU  19  -1.831   9.448   2.482
  164   3HD2  LEU  19          HD23      LEU  19  -1.165   7.843   2.785
  165    H    HIS  20           HN       HIS  20  -0.761  10.046   4.380
  166    HA   HIS  20           HA       HIS  20  -2.271  11.826   2.947
  167   1HB   HIS  20          HB2       HIS  20  -2.212  11.212   5.892
  168   2HB   HIS  20          HB1       HIS  20  -3.378  12.340   5.216
  169    HD1  HIS  20           HD1      HIS  20  -5.385  11.369   4.017
  170    HD2  HIS  20           HD2      HIS  20  -2.595   8.497   5.122
  171    HE1  HIS  20           HE1      HIS  20  -6.535   9.156   3.695
  172    HE2  HIS  20           HE2      HIS  20  -4.855   7.436   4.447
  173    H    LYS  21           HN       LYS  21  -0.004  12.577   5.551
  174    HA   LYS  21           HA       LYS  21  -0.589  15.399   5.411
  175   1HB   LYS  21          HB2       LYS  21   1.627  14.118   6.985
  176   2HB   LYS  21          HB1       LYS  21   0.776  15.623   7.320
  177   1HG   LYS  21          HG2       LYS  21  -0.523  12.914   7.386
  178   2HG   LYS  21          HG1       LYS  21   0.164  13.715   8.800
  179   1HD   LYS  21          HD2       LYS  21  -1.918  14.546   9.052
  180   2HD   LYS  21          HD1       LYS  21  -1.412  15.690   7.809
  181   1HE   LYS  21          HE2       LYS  21  -3.474  14.898   7.043
  182   2HE   LYS  21          HE1       LYS  21  -2.299  13.959   6.131
  183   1HZ   LYS  21          HZ1       LYS  21  -2.615  12.116   7.616
  184   2HZ   LYS  21          HZ2       LYS  21  -4.124  12.608   7.033
  185   3HZ   LYS  21          HZ3       LYS  21  -3.649  13.021   8.603
  186    H    ASN  22           HN       ASN  22   1.173  13.592   3.367
  187    HA   ASN  22           HA       ASN  22   2.865  15.879   2.729
  188   1HB   ASN  22          HB2       ASN  22   3.915  13.120   3.307
  189   2HB   ASN  22          HB1       ASN  22   4.821  14.289   2.353
  190   1HD2  ASN  22          HD21      ASN  22   3.270  13.799   5.482
  191   2HD2  ASN  22          HD22      ASN  22   4.331  14.831   6.372
  192    H    TRP  23           HN       TRP  23   0.566  14.030   1.602
  193    HA   TRP  23           HA       TRP  23   1.781  13.215  -0.895
  194   1HB   TRP  23          HB2       TRP  23  -0.048  11.924  -1.211
  195   2HB   TRP  23          HB1       TRP  23  -0.295  12.196   0.506
  196    HD1  TRP  23           HD1      TRP  23  -2.542  13.206   1.156
  197    HE1  TRP  23           HE1      TRP  23  -4.502  14.291  -0.075
  198    HE3  TRP  23           HE3      TRP  23  -0.469  13.404  -3.448
  199    HZ2  TRP  23           HZ2      TRP  23  -5.093  15.109  -2.749
  200    HZ3  TRP  23           HZ3      TRP  23  -1.765  14.310  -5.301
  201    HH2  TRP  23           HH2      TRP  23  -4.039  15.159  -4.972
  202    H    HIS  24           HN       HIS  24  -0.221  15.817   0.309
  203    HA   HIS  24           HA       HIS  24   0.489  17.588  -1.736
  204   1HB   HIS  24          HB2       HIS  24  -0.937  16.141  -3.141
  205   2HB   HIS  24          HB1       HIS  24  -2.292  16.439  -2.059
  206    HD1  HIS  24           HD1      HIS  24  -1.609  17.302  -5.229
  207    HD2  HIS  24           HD2      HIS  24  -2.161  19.684  -1.869
  208    HE1  HIS  24           HE1      HIS  24  -2.270  19.563  -6.108
  209    HE2  HIS  24           HE2      HIS  24  -2.510  21.010  -4.061
  210    H    GLY  25           HN       GLY  25  -2.304  16.721   0.298
  211   1HA   GLY  25          HA2       GLY  25  -2.173  18.436   2.311
  212   2HA   GLY  25          HA1       GLY  25  -2.651  19.527   1.021
  213    H    GLY  26           HN       GLY  26  -3.954  18.411   3.551
  214   1HA   GLY  26          HA2       GLY  26  -6.119  18.014   4.203
  215   2HA   GLY  26          HA1       GLY  26  -6.605  18.415   2.563
  216    H    LYS  27           HN       LYS  27  -6.182  15.939   4.847
  217    HA   LYS  27           HA       LYS  27  -5.785  13.672   3.314
  218   1HB   LYS  27          HB2       LYS  27  -5.756  13.325   5.618
  219   2HB   LYS  27          HB1       LYS  27  -7.268  14.185   5.869
  220   1HG   LYS  27          HG2       LYS  27  -8.553  12.369   5.319
  221   2HG   LYS  27          HG1       LYS  27  -7.302  11.654   4.301
  222   1HD   LYS  27          HD2       LYS  27  -6.038  10.979   6.226
  223   2HD   LYS  27          HD1       LYS  27  -7.119  11.865   7.304
  224   1HE   LYS  27          HE2       LYS  27  -8.969  10.356   6.388
  225   2HE   LYS  27          HE1       LYS  27  -7.666   9.358   5.745
  226   1HZ   LYS  27          HZ1       LYS  27  -8.145  10.031   8.596
  227   2HZ   LYS  27          HZ2       LYS  27  -6.784   9.201   8.031
  228   3HZ   LYS  27          HZ3       LYS  27  -8.321   8.513   7.868
  229    H    ASP  28           HN       ASP  28  -8.549  15.744   3.466
  230    HA   ASP  28           HA       ASP  28 -10.629  14.102   2.724
  231   1HB   ASP  28          HB2       ASP  28 -10.014  16.954   2.499
  232   2HB   ASP  28          HB1       ASP  28 -11.090  16.380   1.229
  233    H    ASN  29           HN       ASN  29  -7.958  15.277   0.786
  234    HA   ASN  29           HA       ASN  29  -9.133  14.285  -1.677
  235   1HB   ASN  29          HB2       ASN  29  -6.379  15.427  -1.152
  236   2HB   ASN  29          HB1       ASN  29  -7.065  15.081  -2.737
  237   1HD2  ASN  29          HD21      ASN  29  -8.974  16.276  -3.366
  238   2HD2  ASN  29          HD22      ASN  29  -9.195  17.886  -2.779
  239    H    LEU  30           HN       LEU  30  -6.377  13.486   0.431
  240    HA   LEU  30           HA       LEU  30  -5.464  11.273  -1.040
  241   1HB   LEU  30          HB2       LEU  30  -4.389  12.483   0.984
  242   2HB   LEU  30          HB1       LEU  30  -5.354  11.404   1.957
  243    HG   LEU  30           HG       LEU  30  -2.948  10.715   1.552
  244   1HD1  LEU  30          HD11      LEU  30  -5.365   9.180   1.570
  245   2HD1  LEU  30          HD12      LEU  30  -3.809   8.827   2.309
  246   3HD1  LEU  30          HD13      LEU  30  -4.121   8.346   0.643
  247   1HD2  LEU  30          HD21      LEU  30  -2.829  11.251  -0.837
  248   2HD2  LEU  30          HD22      LEU  30  -4.023  10.008  -1.174
  249   3HD2  LEU  30          HD23      LEU  30  -2.440   9.558  -0.534
  250    H    HIS  31           HN       HIS  31  -8.088  11.701   1.207
  251    HA   HIS  31           HA       HIS  31  -8.666   9.184   2.076
  252   1HB   HIS  31          HB2       HIS  31  -9.961  11.288   2.567
  253   2HB   HIS  31          HB1       HIS  31 -10.755  11.091   1.008
  254    HD1  HIS  31           HD1      HIS  31 -13.047  10.822   2.206
  255    HD2  HIS  31           HD2      HIS  31 -10.254   7.898   3.157
  256    HE1  HIS  31           HE1      HIS  31 -14.346   9.001   3.355
  257    HE2  HIS  31           HE2      HIS  31 -12.651   7.198   3.829
  258    H    ASP  32           HN       ASP  32  -9.866  10.587  -0.982
  259    HA   ASP  32           HA       ASP  32 -11.053   8.241  -1.941
  260   1HB   ASP  32          HB2       ASP  32 -10.255  10.842  -3.067
  261   2HB   ASP  32          HB1       ASP  32 -10.313   9.526  -4.238
  262    H    VAL  33           HN       VAL  33  -7.761   9.208  -1.786
  263    HA   VAL  33           HA       VAL  33  -6.841   7.282  -3.740
  264    HB   VAL  33           HB       VAL  33  -5.657   9.469  -2.173
  265   1HG1  VAL  33          HG11      VAL  33  -4.112   6.970  -2.765
  266   2HG1  VAL  33          HG12      VAL  33  -4.171   7.900  -1.269
  267   3HG1  VAL  33          HG13      VAL  33  -3.326   8.545  -2.678
  268   1HG2  VAL  33          HG21      VAL  33  -5.044   8.318  -4.876
  269   2HG2  VAL  33          HG22      VAL  33  -4.477   9.868  -4.243
  270   3HG2  VAL  33          HG23      VAL  33  -6.197   9.614  -4.551
  271    H    ASP  34           HN       ASP  34  -6.016   7.787  -0.284
  272    HA   ASP  34           HA       ASP  34  -4.989   5.212   0.076
  273   1HB   ASP  34          HB2       ASP  34  -4.345   6.645   1.774
  274   2HB   ASP  34          HB1       ASP  34  -5.959   7.338   1.946
  275    H    ASN  35           HN       ASN  35  -8.260   6.347  -0.128
  276    HA   ASN  35           HA       ASN  35  -9.600   4.307   1.266
  277   1HB   ASN  35          HB2       ASN  35 -10.306   6.156  -0.962
  278   2HB   ASN  35          HB1       ASN  35 -11.309   4.722  -0.777
  279   1HD2  ASN  35          HD21      ASN  35 -12.253   7.321  -0.450
  280   2HD2  ASN  35          HD22      ASN  35 -12.714   7.536   1.201
  281    H    HIS  36           HN       HIS  36  -8.228   4.536  -1.942
  282    HA   HIS  36           HA       HIS  36  -9.060   1.994  -2.896
  283   1HB   HIS  36          HB2       HIS  36  -7.472   4.210  -3.832
  284   2HB   HIS  36          HB1       HIS  36  -6.579   2.713  -4.089
  285    HD1  HIS  36           HD1      HIS  36  -9.292   1.040  -4.637
  286    HD2  HIS  36           HD2      HIS  36  -8.027   4.503  -6.554
  287    HE1  HIS  36           HE1      HIS  36 -10.453   1.036  -6.868
  288    HE2  HIS  36           HE2      HIS  36  -9.614   3.103  -8.040
  289    H    LEU  37           HN       LEU  37  -6.160   3.276  -1.346
  290    HA   LEU  37           HA       LEU  37  -4.605   0.955  -1.270
  291   1HB   LEU  37          HB2       LEU  37  -4.045   3.380  -0.585
  292   2HB   LEU  37          HB1       LEU  37  -4.687   2.941   0.981
  293    HG   LEU  37           HG       LEU  37  -2.558   2.438   1.448
  294   1HD1  LEU  37          HD11      LEU  37  -3.548   0.238   1.486
  295   2HD1  LEU  37          HD12      LEU  37  -1.882   0.132   0.920
  296   3HD1  LEU  37          HD13      LEU  37  -3.212   0.026  -0.232
  297   1HD2  LEU  37          HD21      LEU  37  -1.314   3.317  -0.223
  298   2HD2  LEU  37          HD22      LEU  37  -2.255   2.524  -1.488
  299   3HD2  LEU  37          HD23      LEU  37  -1.040   1.613  -0.590
  300    H    GLN  38           HN       GLN  38  -6.409   2.285   1.499
  301    HA   GLN  38           HA       GLN  38  -6.263   0.195   3.230
  302   1HB   GLN  38          HB2       GLN  38  -7.312   2.329   3.795
  303   2HB   GLN  38          HB1       GLN  38  -8.672   1.956   2.747
  304   1HG   GLN  38          HG2       GLN  38  -9.339   1.557   4.992
  305   2HG   GLN  38          HG1       GLN  38  -9.170  -0.004   4.191
  306   1HE2  GLN  38          HE21      GLN  38  -7.177  -1.190   4.577
  307   2HE2  GLN  38          HE22      GLN  38  -6.389  -1.035   6.107
  308    H    ASN  39           HN       ASN  39  -8.555   0.550   0.563
  309    HA   ASN  39           HA       ASN  39 -10.107  -1.737   1.116
  310   1HB   ASN  39          HB2       ASN  39 -10.567   0.185  -0.551
  311   2HB   ASN  39          HB1       ASN  39  -9.570  -0.735  -1.675
  312   1HD2  ASN  39          HD21      ASN  39 -10.408  -2.475  -2.679
  313   2HD2  ASN  39          HD22      ASN  39 -12.027  -3.039  -2.463
  314    H    VAL  40           HN       VAL  40  -7.019  -1.294  -0.429
  315    HA   VAL  40           HA       VAL  40  -6.818  -3.761  -1.767
  316    HB   VAL  40           HB       VAL  40  -4.633  -2.048  -0.563
  317   1HG1  VAL  40          HG11      VAL  40  -3.625  -3.451  -2.754
  318   2HG1  VAL  40          HG12      VAL  40  -4.511  -4.640  -1.800
  319   3HG1  VAL  40          HG13      VAL  40  -3.226  -3.688  -1.051
  320   1HG2  VAL  40          HG21      VAL  40  -4.467  -1.712  -3.244
  321   2HG2  VAL  40          HG22      VAL  40  -5.350  -0.637  -2.161
  322   3HG2  VAL  40          HG23      VAL  40  -6.208  -1.903  -3.038
  323    H    ILE  41           HN       ILE  41  -5.565  -2.758   1.410
  324    HA   ILE  41           HA       ILE  41  -4.405  -5.024   2.332
  325    HB   ILE  41           HB       ILE  41  -6.265  -3.400   4.059
  326   1HG1  ILE  41          HG12      ILE  41  -4.915  -1.789   2.927
  327   2HG1  ILE  41          HG11      ILE  41  -4.204  -2.011   4.520
  328   1HG2  ILE  41          HG21      ILE  41  -3.648  -4.589   4.876
  329   2HG2  ILE  41          HG22      ILE  41  -5.119  -5.561   4.864
  330   3HG2  ILE  41          HG23      ILE  41  -5.023  -4.119   5.876
  331   1HD1  ILE  41          HD11      ILE  41  -3.205  -3.436   2.074
  332   2HD1  ILE  41          HD12      ILE  41  -2.418  -3.284   3.644
  333   3HD1  ILE  41          HD13      ILE  41  -2.591  -1.870   2.605
  334    H    GLU  42           HN       GLU  42  -7.902  -4.362   2.438
  335    HA   GLU  42           HA       GLU  42  -8.565  -6.815   3.710
  336   1HB   GLU  42          HB2       GLU  42 -10.848  -6.252   3.287
  337   2HB   GLU  42          HB1       GLU  42 -10.014  -4.752   3.661
  338   1HG   GLU  42          HG2       GLU  42 -10.372  -3.886   1.623
  339   2HG   GLU  42          HG1       GLU  42 -10.156  -5.431   0.804
  340    H    ASP  43           HN       ASP  43  -8.044  -5.859   0.418
  341    HA   ASP  43           HA       ASP  43  -9.156  -8.287  -0.672
  342   1HB   ASP  43          HB2       ASP  43  -7.921  -5.815  -1.758
  343   2HB   ASP  43          HB1       ASP  43  -7.733  -7.273  -2.727
  344    H    ILE  44           HN       ILE  44  -6.106  -7.141   0.496
  345    HA   ILE  44           HA       ILE  44  -4.618  -9.302  -0.754
  346    HB   ILE  44           HB       ILE  44  -3.572  -7.404   1.346
  347   1HG1  ILE  44          HG12      ILE  44  -4.364  -5.933  -0.330
  348   2HG1  ILE  44          HG11      ILE  44  -2.654  -6.133  -0.668
  349   1HG2  ILE  44          HG21      ILE  44  -2.378  -9.310  -0.604
  350   2HG2  ILE  44          HG22      ILE  44  -1.971  -9.025   1.088
  351   3HG2  ILE  44          HG23      ILE  44  -1.474  -7.867  -0.147
  352   1HD1  ILE  44          HD11      ILE  44  -3.314  -7.884  -2.352
  353   2HD1  ILE  44          HD12      ILE  44  -3.762  -6.223  -2.740
  354   3HD1  ILE  44          HD13      ILE  44  -4.978  -7.343  -2.127
  355    H    HIS  45           HN       HIS  45  -5.841  -8.387   2.423
  356    HA   HIS  45           HA       HIS  45  -4.630 -10.613   3.769
  357   1HB   HIS  45          HB2       HIS  45  -6.783  -8.698   4.673
  358   2HB   HIS  45          HB1       HIS  45  -5.981  -9.878   5.707
  359    HD1  HIS  45           HD1      HIS  45  -5.033  -7.955   7.190
  360    HD2  HIS  45           HD2      HIS  45  -3.777  -7.892   3.233
  361    HE1  HIS  45           HE1      HIS  45  -3.096  -6.353   7.131
  362    HE2  HIS  45           HE2      HIS  45  -2.468  -6.203   4.696
  363    H    ASP  46           HN       ASP  46  -7.880  -9.847   2.592
  364    HA   ASP  46           HA       ASP  46  -9.036 -12.248   3.610
  365   1HB   ASP  46          HB2       ASP  46 -10.214 -10.042   2.928
  366   2HB   ASP  46          HB1       ASP  46 -10.153 -10.689   1.292
  367    H    PHE  47           HN       PHE  47  -7.329 -11.362   0.718
  368    HA   PHE  47           HA       PHE  47  -8.144 -13.793  -0.664
  369   1HB   PHE  47          HB2       PHE  47  -6.403 -11.476  -1.453
  370   2HB   PHE  47          HB1       PHE  47  -6.535 -12.922  -2.443
  371    HD1  PHE  47           HD1      PHE  47  -7.848 -12.554  -4.282
  372    HD2  PHE  47           HD2      PHE  47  -9.008 -10.842  -0.562
  373    HE1  PHE  47           HE1      PHE  47  -9.889 -11.670  -5.329
  374    HE2  PHE  47           HE2      PHE  47 -11.051  -9.955  -1.603
  375    HZ   PHE  47           HZ       PHE  47 -11.495 -10.369  -3.990
  376    H    MET  48           HN       MET  48  -5.127 -12.445   0.678
  377    HA   MET  48           HA       MET  48  -3.307 -14.346  -0.080
  378   1HB   MET  48          HB2       MET  48  -2.010 -13.796   1.864
  379   2HB   MET  48          HB1       MET  48  -2.778 -12.336   1.264
  380   1HG   MET  48          HG2       MET  48  -4.493 -12.539   3.001
  381   2HG   MET  48          HG1       MET  48  -3.688 -13.983   3.612
  382   1HE   MET  48          HE1       MET  48  -0.886 -13.684   3.600
  383   2HE   MET  48          HE2       MET  48  -0.141 -12.316   4.421
  384   3HE   MET  48          HE3       MET  48  -0.584 -12.185   2.722
  385    H    GLN  49           HN       GLN  49  -5.698 -14.613   2.500
  386    HA   GLN  49           HA       GLN  49  -4.750 -17.020   3.613
  387   1HB   GLN  49          HB2       GLN  49  -6.853 -15.234   4.108
  388   2HB   GLN  49          HB1       GLN  49  -7.627 -16.783   3.800
  389   1HG   GLN  49          HG2       GLN  49  -5.539 -16.174   5.877
  390   2HG   GLN  49          HG1       GLN  49  -7.238 -16.561   6.146
  391   1HE2  GLN  49          HE21      GLN  49  -4.616 -17.835   6.943
  392   2HE2  GLN  49          HE22      GLN  49  -4.804 -19.496   6.507
  393    H    GLY  50           HN       GLY  50  -6.469 -16.371   0.709
  394   1HA   GLY  50          HA2       GLY  50  -6.236 -18.402  -0.815
  395   2HA   GLY  50          HA1       GLY  50  -7.156 -19.224   0.434
  396    H    GLY  51           HN       GLY  51  -7.880 -15.907  -0.339
  397   1HA   GLY  51          HA2       GLY  51 -10.451 -16.809  -1.445
  398   2HA   GLY  51          HA1       GLY  51 -10.145 -15.236  -0.722
  399    H    GLY  52           HN       GLY  52  -8.079 -16.819  -3.090
  400   1HA   GLY  52          HA2       GLY  52  -8.144 -16.409  -5.457
  401   2HA   GLY  52          HA1       GLY  52  -8.994 -14.905  -5.132
  402    H    SER  53           HN       SER  53  -6.165 -15.976  -3.361
  403    HA   SER  53           HA       SER  53  -4.812 -13.546  -3.632
  404   1HB   SER  53          HB2       SER  53  -2.866 -14.731  -2.707
  405   2HB   SER  53          HB1       SER  53  -4.338 -15.159  -1.835
  406    HG   SER  53           HG       SER  53  -3.234 -16.698  -3.948
  407    H    GLY  54           HN       GLY  54  -5.025 -16.244  -5.775
  408   1HA   GLY  54          HA2       GLY  54  -2.655 -15.437  -7.276
  409   2HA   GLY  54          HA1       GLY  54  -3.657 -16.846  -7.593
  410    H    GLY  55           HN       GLY  55  -3.649 -13.303  -7.768
  411   1HA   GLY  55          HA2       GLY  55  -4.176 -12.748 -10.277
  412   2HA   GLY  55          HA1       GLY  55  -5.740 -13.407  -9.820
  413    H    LYS  56           HN       LYS  56  -5.110 -12.182  -7.034
  414    HA   LYS  56           HA       LYS  56  -6.400  -9.644  -7.618
  415   1HB   LYS  56          HB2       LYS  56  -6.719  -9.482  -5.200
  416   2HB   LYS  56          HB1       LYS  56  -7.271 -11.042  -5.795
  417   1HG   LYS  56          HG2       LYS  56  -6.113 -11.791  -4.013
  418   2HG   LYS  56          HG1       LYS  56  -4.763 -11.695  -5.139
  419   1HD   LYS  56          HD2       LYS  56  -4.196  -9.478  -4.277
  420   2HD   LYS  56          HD1       LYS  56  -5.570  -9.550  -3.176
  421   1HE   LYS  56          HE2       LYS  56  -3.387 -10.090  -2.111
  422   2HE   LYS  56          HE1       LYS  56  -4.589 -11.368  -1.965
  423   1HZ   LYS  56          HZ1       LYS  56  -3.152 -12.753  -2.885
  424   2HZ   LYS  56          HZ2       LYS  56  -2.017 -11.514  -3.068
  425   3HZ   LYS  56          HZ3       LYS  56  -3.130 -11.828  -4.300
  426    H    LEU  57           HN       LEU  57  -3.396 -10.845  -6.217
  427    HA   LEU  57           HA       LEU  57  -2.405  -8.337  -5.406
  428   1HB   LEU  57          HB2       LEU  57  -1.628 -10.789  -4.882
  429   2HB   LEU  57          HB1       LEU  57  -0.561 -10.517  -6.245
  430    HG   LEU  57           HG       LEU  57   0.222  -8.420  -5.029
  431   1HD1  LEU  57          HD11      LEU  57  -0.091  -9.025  -2.423
  432   2HD1  LEU  57          HD12      LEU  57  -1.649  -9.555  -3.059
  433   3HD1  LEU  57          HD13      LEU  57  -1.119  -7.891  -3.299
  434   1HD2  LEU  57          HD21      LEU  57   0.980 -11.133  -4.823
  435   2HD2  LEU  57          HD22      LEU  57   1.152 -10.418  -3.220
  436   3HD2  LEU  57          HD23      LEU  57   1.980  -9.698  -4.600
  437    H    GLN  58           HN       GLN  58  -2.892  -9.504  -8.537
  438    HA   GLN  58           HA       GLN  58  -0.615  -8.104  -9.646
  439   1HB   GLN  58          HB2       GLN  58  -1.679  -8.758 -11.865
  440   2HB   GLN  58          HB1       GLN  58  -1.136 -10.077 -10.839
  441   1HG   GLN  58          HG2       GLN  58  -3.386 -10.520 -10.132
  442   2HG   GLN  58          HG1       GLN  58  -3.979  -9.112 -11.009
  443   1HE2  GLN  58          HE21      GLN  58  -3.818  -9.136 -13.329
  444   2HE2  GLN  58          HE22      GLN  58  -3.871 -10.640 -14.177
  445    H    GLU  59           HN       GLU  59  -4.150  -7.793  -9.758
  446    HA   GLU  59           HA       GLU  59  -3.910  -5.164 -10.967
  447   1HB   GLU  59          HB2       GLU  59  -6.226  -6.947 -10.262
  448   2HB   GLU  59          HB1       GLU  59  -6.483  -5.257 -10.674
  449   1HG   GLU  59          HG2       GLU  59  -5.953  -5.562 -12.864
  450   2HG   GLU  59          HG1       GLU  59  -4.849  -6.895 -12.526
  451    H    MET  60           HN       MET  60  -4.552  -6.626  -7.869
  452    HA   MET  60           HA       MET  60  -5.479  -4.196  -6.653
  453   1HB   MET  60          HB2       MET  60  -6.081  -6.542  -5.894
  454   2HB   MET  60          HB1       MET  60  -4.464  -6.639  -5.211
  455   1HG   MET  60          HG2       MET  60  -5.743  -5.994  -3.404
  456   2HG   MET  60          HG1       MET  60  -5.080  -4.466  -3.985
  457   1HE   MET  60          HE1       MET  60  -9.348  -5.931  -4.864
  458   2HE   MET  60          HE2       MET  60  -7.910  -6.929  -4.653
  459   3HE   MET  60          HE3       MET  60  -8.146  -6.029  -6.151
  460    H    MET  61           HN       MET  61  -2.375  -5.861  -6.980
  461    HA   MET  61           HA       MET  61  -0.977  -4.507  -4.972
  462   1HB   MET  61          HB2       MET  61   0.144  -6.300  -6.034
  463   2HB   MET  61          HB1       MET  61  -0.071  -5.597  -7.632
  464   1HG   MET  61          HG2       MET  61   1.411  -3.801  -5.957
  465   2HG   MET  61          HG1       MET  61   2.150  -5.400  -5.935
  466   1HE   MET  61          HE1       MET  61   2.577  -6.744  -7.747
  467   2HE   MET  61          HE2       MET  61   3.909  -6.024  -8.652
  468   3HE   MET  61          HE3       MET  61   2.378  -6.363  -9.457
  469    H    LYS  62           HN       LYS  62  -1.695  -3.560  -8.301
  470    HA   LYS  62           HA       LYS  62  -0.229  -1.126  -8.226
  471   1HB   LYS  62          HB2       LYS  62  -2.009  -2.502 -10.074
  472   2HB   LYS  62          HB1       LYS  62  -2.296  -0.767 -10.064
  473   1HG   LYS  62          HG2       LYS  62  -0.676  -1.456 -11.775
  474   2HG   LYS  62          HG1       LYS  62   0.016  -0.338 -10.598
  475   1HD   LYS  62          HD2       LYS  62   1.066  -2.196  -9.426
  476   2HD   LYS  62          HD1       LYS  62   0.336  -3.338 -10.554
  477   1HE   LYS  62          HE2       LYS  62   1.610  -1.572 -12.224
  478   2HE   LYS  62          HE1       LYS  62   2.709  -1.662 -10.848
  479   1HZ   LYS  62          HZ1       LYS  62   3.139  -3.857 -11.214
  480   2HZ   LYS  62          HZ2       LYS  62   2.865  -3.361 -12.808
  481   3HZ   LYS  62          HZ3       LYS  62   1.646  -4.160 -11.951
  482    H    GLU  63           HN       GLU  63  -3.356  -2.120  -7.129
  483    HA   GLU  63           HA       GLU  63  -4.612   0.396  -6.969
  484   1HB   GLU  63          HB2       GLU  63  -5.667  -1.926  -6.779
  485   2HB   GLU  63          HB1       GLU  63  -5.138  -1.906  -5.103
  486   1HG   GLU  63          HG2       GLU  63  -7.181  -1.051  -4.754
  487   2HG   GLU  63          HG1       GLU  63  -6.396   0.461  -5.209
  488    H    PHE  64           HN       PHE  64  -2.433  -1.323  -4.807
  489    HA   PHE  64           HA       PHE  64  -2.790   0.661  -2.728
  490   1HB   PHE  64          HB2       PHE  64  -1.650  -0.784  -1.306
  491   2HB   PHE  64          HB1       PHE  64  -2.428  -1.901  -2.418
  492    HD1  PHE  64           HD1      PHE  64   0.810  -0.117  -1.912
  493    HD2  PHE  64           HD2      PHE  64  -1.215  -3.551  -3.392
  494    HE1  PHE  64           HE1      PHE  64   2.972  -1.197  -2.369
  495    HE2  PHE  64           HE2      PHE  64   0.942  -4.631  -3.861
  496    HZ   PHE  64           HZ       PHE  64   3.037  -3.454  -3.339
  497    H    GLN  65           HN       GLN  65  -0.631  -0.047  -5.329
  498    HA   GLN  65           HA       GLN  65   1.470   1.692  -4.375
  499   1HB   GLN  65          HB2       GLN  65   1.712  -0.399  -5.889
  500   2HB   GLN  65          HB1       GLN  65   1.224   0.676  -7.192
  501   1HG   GLN  65          HG2       GLN  65   3.133   2.193  -6.307
  502   2HG   GLN  65          HG1       GLN  65   3.707   0.712  -5.541
  503   1HE2  GLN  65          HE21      GLN  65   4.097   2.585  -8.152
  504   2HE2  GLN  65          HE22      GLN  65   4.621   1.411  -9.305
  505    H    GLN  66           HN       GLN  66  -1.269   1.859  -6.555
  506    HA   GLN  66           HA       GLN  66  -0.628   4.161  -7.989
  507   1HB   GLN  66          HB2       GLN  66  -2.578   2.594  -8.377
  508   2HB   GLN  66          HB1       GLN  66  -3.411   3.436  -7.078
  509   1HG   GLN  66          HG2       GLN  66  -2.406   5.366  -8.910
  510   2HG   GLN  66          HG1       GLN  66  -3.265   4.119  -9.814
  511   1HE2  GLN  66          HE21      GLN  66  -3.800   7.011  -8.935
  512   2HE2  GLN  66          HE22      GLN  66  -5.418   6.950  -8.334
  513    H    VAL  67           HN       VAL  67  -2.100   3.805  -4.802
  514    HA   VAL  67           HA       VAL  67  -2.948   6.386  -4.288
  515    HB   VAL  67           HB       VAL  67  -1.746   4.264  -2.519
  516   1HG1  VAL  67          HG11      VAL  67  -3.021   6.059  -0.816
  517   2HG1  VAL  67          HG12      VAL  67  -2.002   7.061  -1.847
  518   3HG1  VAL  67          HG13      VAL  67  -1.291   5.741  -0.924
  519   1HG2  VAL  67          HG21      VAL  67  -4.351   4.961  -1.749
  520   2HG2  VAL  67          HG22      VAL  67  -3.825   3.505  -2.592
  521   3HG2  VAL  67          HG23      VAL  67  -4.355   4.914  -3.511
  522    H    LEU  68           HN       LEU  68   0.312   5.038  -3.943
  523    HA   LEU  68           HA       LEU  68   1.520   7.392  -2.927
  524   1HB   LEU  68          HB2       LEU  68   2.431   4.804  -4.027
  525   2HB   LEU  68          HB1       LEU  68   3.587   6.127  -4.052
  526    HG   LEU  68           HG       LEU  68   2.619   6.315  -1.508
  527   1HD1  LEU  68          HD11      LEU  68   3.127   3.558  -1.198
  528   2HD1  LEU  68          HD12      LEU  68   1.877   3.718  -2.428
  529   3HD1  LEU  68          HD13      LEU  68   1.645   4.443  -0.837
  530   1HD2  LEU  68          HD21      LEU  68   4.835   6.314  -1.307
  531   2HD2  LEU  68          HD22      LEU  68   5.032   5.463  -2.838
  532   3HD2  LEU  68          HD23      LEU  68   4.792   4.553  -1.347
  533    H    ASP  69           HN       ASP  69   0.356   6.629  -6.035
  534    HA   ASP  69           HA       ASP  69   2.207   8.097  -7.612
  535   1HB   ASP  69          HB2       ASP  69   0.349   6.385  -8.328
  536   2HB   ASP  69          HB1       ASP  69  -0.682   7.813  -8.375
  537    H    GLU  70           HN       GLU  70  -1.096   8.882  -6.522
  538    HA   GLU  70           HA       GLU  70  -1.184  11.566  -7.258
  539   1HB   GLU  70          HB2       GLU  70  -2.937   9.934  -6.072
  540   2HB   GLU  70          HB1       GLU  70  -2.340  10.735  -4.621
  541   1HG   GLU  70          HG2       GLU  70  -3.968  12.183  -5.031
  542   2HG   GLU  70          HG1       GLU  70  -2.838  12.862  -6.202
  543    H    LEU  71           HN       LEU  71   0.137   9.964  -4.495
  544    HA   LEU  71           HA       LEU  71   0.795  12.233  -2.945
  545   1HB   LEU  71          HB2       LEU  71   0.431  10.235  -1.827
  546   2HB   LEU  71          HB1       LEU  71   1.413   9.320  -2.945
  547    HG   LEU  71           HG       LEU  71   3.255  11.002  -1.788
  548   1HD1  LEU  71          HD11      LEU  71   2.388  11.781   0.113
  549   2HD1  LEU  71          HD12      LEU  71   2.435  10.118   0.700
  550   3HD1  LEU  71          HD13      LEU  71   0.966  10.753  -0.034
  551   1HD2  LEU  71          HD21      LEU  71   2.383   8.182  -1.353
  552   2HD2  LEU  71          HD22      LEU  71   3.690   8.859  -0.389
  553   3HD2  LEU  71          HD23      LEU  71   3.831   8.791  -2.146
  554    H    ASN  72           HN       ASN  72   3.054   9.862  -4.350
  555    HA   ASN  72           HA       ASN  72   5.358  11.330  -4.061
  556   1HB   ASN  72          HB2       ASN  72   4.822   8.888  -5.060
  557   2HB   ASN  72          HB1       ASN  72   5.175   9.743  -6.558
  558   1HD2  ASN  72          HD21      ASN  72   7.141  11.433  -5.912
  559   2HD2  ASN  72          HD22      ASN  72   8.538  10.579  -5.362
  560    H    ASN  73           HN       ASN  73   2.858  11.756  -6.430
  561    HA   ASN  73           HA       ASN  73   4.522  13.514  -8.048
  562   1HB   ASN  73          HB2       ASN  73   1.744  12.408  -8.334
  563   2HB   ASN  73          HB1       ASN  73   2.269  13.770  -9.319
  564   1HD2  ASN  73          HD21      ASN  73   3.548  10.630  -8.261
  565   2HD2  ASN  73          HD22      ASN  73   4.138  10.157  -9.816
  566    H    HIS  74           HN       HIS  74   3.316  14.000  -5.177
  567    HA   HIS  74           HA       HIS  74   2.892  16.824  -5.617
  568   1HB   HIS  74          HB2       HIS  74   0.672  15.019  -4.681
  569   2HB   HIS  74          HB1       HIS  74   0.707  16.732  -4.274
  570    HD1  HIS  74           HD1      HIS  74   0.949  18.330  -6.539
  571    HD2  HIS  74           HD2      HIS  74  -0.624  14.510  -6.993
  572    HE1  HIS  74           HE1      HIS  74  -0.288  18.368  -8.729
  573    HE2  HIS  74           HE2      HIS  74  -1.180  16.029  -9.012
  574    H    LEU  75           HN       LEU  75   4.801  15.116  -4.175
  575    HA   LEU  75           HA       LEU  75   4.451  15.077  -1.414
  576   1HB   LEU  75          HB2       LEU  75   6.673  15.009  -3.261
  577   2HB   LEU  75          HB1       LEU  75   7.084  15.968  -1.854
  578    HG   LEU  75           HG       LEU  75   7.812  13.843  -1.299
  579   1HD1  LEU  75          HD11      LEU  75   5.175  13.389  -0.092
  580   2HD1  LEU  75          HD12      LEU  75   5.892  14.971   0.210
  581   3HD1  LEU  75          HD13      LEU  75   6.764  13.505   0.662
  582   1HD2  LEU  75          HD21      LEU  75   6.690  11.796  -1.746
  583   2HD2  LEU  75          HD22      LEU  75   6.662  12.747  -3.230
  584   3HD2  LEU  75          HD23      LEU  75   5.217  12.641  -2.224
  585    H    GLN  76           HN       GLN  76   3.175  16.896  -0.927
  586    HA   GLN  76           HA       GLN  76   4.157  19.537  -1.431
  587   1HB   GLN  76          HB2       GLN  76   1.691  18.335  -0.395
  588   2HB   GLN  76          HB1       GLN  76   2.106  19.867   0.361
  589   1HG   GLN  76          HG2       GLN  76   2.389  19.940  -2.527
  590   2HG   GLN  76          HG1       GLN  76   0.754  19.526  -2.012
  591   1HE2  GLN  76          HE21      GLN  76   3.332  21.770  -1.038
  592   2HE2  GLN  76          HE22      GLN  76   2.305  23.149  -0.879
  593    H    GLY  77           HN       GLY  77   3.950  17.383   1.356
  594   1HA   GLY  77          HA2       GLY  77   4.884  19.398   3.202
  595   2HA   GLY  77          HA1       GLY  77   4.586  17.707   3.566
  596    H    GLY  78           HN       GLY  78   6.231  16.189   2.410
  597   1HA   GLY  78          HA2       GLY  78   8.809  17.115   1.792
  598   2HA   GLY  78          HA1       GLY  78   8.753  16.714   3.502
  599    H    LYS  79           HN       LYS  79   9.559  15.554   0.581
  600    HA   LYS  79           HA       LYS  79   8.613  13.075   0.148
  601   1HB   LYS  79          HB2       LYS  79  10.784  12.443  -0.741
  602   2HB   LYS  79          HB1       LYS  79  10.409  14.106  -1.169
  603   1HG   LYS  79          HG2       LYS  79  11.846  14.053   1.306
  604   2HG   LYS  79          HG1       LYS  79  12.716  13.120   0.087
  605   1HD   LYS  79          HD2       LYS  79  13.546  15.148  -0.468
  606   2HD   LYS  79          HD1       LYS  79  12.037  15.278  -1.373
  607   1HE   LYS  79          HE2       LYS  79  11.618  17.128  -0.207
  608   2HE   LYS  79          HE1       LYS  79  11.372  16.091   1.198
  609   1HZ   LYS  79          HZ1       LYS  79  12.948  17.636   1.883
  610   2HZ   LYS  79          HZ2       LYS  79  13.798  17.588   0.422
  611   3HZ   LYS  79          HZ3       LYS  79  13.882  16.281   1.492
  612    H    HIS  80           HN       HIS  80  10.623  13.991   2.868
  613    HA   HIS  80           HA       HIS  80  11.624  11.625   3.767
  614   1HB   HIS  80          HB2       HIS  80  10.825  14.139   4.999
  615   2HB   HIS  80          HB1       HIS  80  10.642  12.779   6.103
  616    HD1  HIS  80           HD1      HIS  80  13.384  13.508   3.563
  617    HD2  HIS  80           HD2      HIS  80  12.871  12.841   7.632
  618    HE1  HIS  80           HE1      HIS  80  15.702  13.477   4.535
  619    HE2  HIS  80           HE2      HIS  80  15.371  12.970   6.981
  620    H    THR  81           HN       THR  81   8.279  12.659   3.872
  621    HA   THR  81           HA       THR  81   7.333  10.573   5.560
  622    HB   THR  81           HB       THR  81   6.082  12.534   3.676
  623    HG1  THR  81           HG1      THR  81   6.531  13.197   5.780
  624   1HG2  THR  81          HG21      THR  81   4.836  10.015   4.456
  625   2HG2  THR  81          HG22      THR  81   4.368  11.195   3.223
  626   3HG2  THR  81          HG23      THR  81   3.904  11.447   4.910
  627    H    VAL  82           HN       VAL  82   6.551  11.058   2.148
  628    HA   VAL  82           HA       VAL  82   5.749   8.486   1.560
  629    HB   VAL  82           HB       VAL  82   7.250  10.277  -0.359
  630   1HG1  VAL  82          HG11      VAL  82   5.646   9.166  -1.987
  631   2HG1  VAL  82          HG12      VAL  82   5.308   8.011  -0.700
  632   3HG1  VAL  82          HG13      VAL  82   6.942   8.160  -1.342
  633   1HG2  VAL  82          HG21      VAL  82   5.575  11.648   0.577
  634   2HG2  VAL  82          HG22      VAL  82   4.391  10.346   0.564
  635   3HG2  VAL  82          HG23      VAL  82   4.921  11.071  -0.953
  636    H    HIS  83           HN       HIS  83   9.057   9.813   1.554
  637    HA   HIS  83           HA       HIS  83  10.402   7.762   0.299
  638   1HB   HIS  83          HB2       HIS  83  11.095   9.883   2.127
  639   2HB   HIS  83          HB1       HIS  83  11.984   8.425   2.549
  640    HD1  HIS  83           HD1      HIS  83  11.117   9.489  -0.973
  641    HD2  HIS  83           HD2      HIS  83  14.424   9.119   1.513
  642    HE1  HIS  83           HE1      HIS  83  13.114   9.882  -2.449
  643    HE2  HIS  83           HE2      HIS  83  15.107   9.556  -0.943
  644    H    HIS  84           HN       HIS  84   9.202   7.943   3.600
  645    HA   HIS  84           HA       HIS  84  10.228   5.367   4.349
  646   1HB   HIS  84          HB2       HIS  84   8.633   7.505   5.625
  647   2HB   HIS  84          HB1       HIS  84   8.313   5.874   6.205
  648    HD1  HIS  84           HD1      HIS  84  10.824   4.555   6.649
  649    HD2  HIS  84           HD2      HIS  84  10.529   8.671   7.137
  650    HE1  HIS  84           HE1      HIS  84  12.756   5.196   8.126
  651    HE2  HIS  84           HE2      HIS  84  12.523   7.683   8.456
  652    H    ILE  85           HN       ILE  85   7.287   6.610   2.950
  653    HA   ILE  85           HA       ILE  85   5.862   4.133   3.383
  654    HB   ILE  85           HB       ILE  85   3.962   5.243   3.003
  655   1HG1  ILE  85          HG12      ILE  85   4.836   7.114   0.887
  656   2HG1  ILE  85          HG11      ILE  85   4.721   5.410   0.469
  657   1HG2  ILE  85          HG21      ILE  85   4.060   7.698   3.234
  658   2HG2  ILE  85          HG22      ILE  85   5.812   7.567   3.140
  659   3HG2  ILE  85          HG23      ILE  85   4.945   6.787   4.457
  660   1HD1  ILE  85          HD11      ILE  85   2.670   7.125   0.279
  661   2HD1  ILE  85          HD12      ILE  85   2.413   6.526   1.916
  662   3HD1  ILE  85          HD13      ILE  85   2.472   5.399   0.565
  663    H    GLU  86           HN       GLU  86   7.505   5.750   0.741
  664    HA   GLU  86           HA       GLU  86   6.624   3.913  -1.276
  665   1HB   GLU  86          HB2       GLU  86   8.470   4.949  -2.628
  666   2HB   GLU  86          HB1       GLU  86   7.298   6.095  -1.995
  667   1HG   GLU  86          HG2       GLU  86   8.861   7.219  -0.922
  668   2HG   GLU  86          HG1       GLU  86   9.479   5.758  -0.158
  669    H    GLN  87           HN       GLN  87   9.470   4.206   0.804
  670    HA   GLN  87           HA       GLN  87  10.900   2.056  -0.383
  671   1HB   GLN  87          HB2       GLN  87  11.130   3.686   2.081
  672   2HB   GLN  87          HB1       GLN  87  11.835   2.080   2.164
  673   1HG   GLN  87          HG2       GLN  87  13.436   3.839   1.501
  674   2HG   GLN  87          HG1       GLN  87  13.278   2.540   0.318
  675   1HE2  GLN  87          HE21      GLN  87  12.672   3.017  -1.710
  676   2HE2  GLN  87          HE22      GLN  87  12.262   4.600  -2.266
  677    H    ASN  88           HN       ASN  88   8.408   2.359   2.014
  678    HA   ASN  88           HA       ASN  88   8.583  -0.387   2.880
  679   1HB   ASN  88          HB2       ASN  88   7.003   2.014   3.624
  680   2HB   ASN  88          HB1       ASN  88   6.217   0.457   3.877
  681   1HD2  ASN  88          HD21      ASN  88   9.172   2.259   4.560
  682   2HD2  ASN  88          HD22      ASN  88   9.502   1.492   6.073
  683    H    ILE  89           HN       ILE  89   6.405   1.600   0.907
  684    HA   ILE  89           HA       ILE  89   4.649  -0.571   0.324
  685    HB   ILE  89           HB       ILE  89   4.722   2.264  -0.298
  686   1HG1  ILE  89          HG12      ILE  89   2.211   0.953  -0.700
  687   2HG1  ILE  89          HG11      ILE  89   3.014   0.278   0.719
  688   1HG2  ILE  89          HG21      ILE  89   5.035   1.723  -2.589
  689   2HG2  ILE  89          HG22      ILE  89   3.311   2.029  -2.380
  690   3HG2  ILE  89          HG23      ILE  89   3.902   0.375  -2.496
  691   1HD1  ILE  89          HD11      ILE  89   1.521   2.638   0.586
  692   2HD1  ILE  89          HD12      ILE  89   3.201   3.163   0.715
  693   3HD1  ILE  89          HD13      ILE  89   2.520   2.084   1.928
  694    H    LYS  90           HN       LYS  90   7.007   1.213  -1.665
  695    HA   LYS  90           HA       LYS  90   6.720  -0.432  -3.882
  696   1HB   LYS  90          HB2       LYS  90   9.242   1.017  -3.040
  697   2HB   LYS  90          HB1       LYS  90   8.863   0.456  -4.662
  698   1HG   LYS  90          HG2       LYS  90   7.134   2.444  -3.226
  699   2HG   LYS  90          HG1       LYS  90   8.542   2.929  -4.174
  700   1HD   LYS  90          HD2       LYS  90   6.384   1.180  -5.319
  701   2HD   LYS  90          HD1       LYS  90   6.263   2.940  -5.341
  702   1HE   LYS  90          HE2       LYS  90   7.725   3.120  -7.020
  703   2HE   LYS  90          HE1       LYS  90   8.845   1.980  -6.276
  704   1HZ   LYS  90          HZ1       LYS  90   8.258   0.766  -8.070
  705   2HZ   LYS  90          HZ2       LYS  90   6.749   1.508  -8.243
  706   3HZ   LYS  90          HZ3       LYS  90   6.970   0.305  -7.075
  707    H    GLU  91           HN       GLU  91   8.477  -0.878  -0.924
  708    HA   GLU  91           HA       GLU  91   9.836  -3.247  -1.955
  709   1HB   GLU  91          HB2       GLU  91  10.950  -1.607  -0.363
  710   2HB   GLU  91          HB1       GLU  91   9.862  -2.209   0.881
  711   1HG   GLU  91          HG2       GLU  91  10.948  -4.508  -0.171
  712   2HG   GLU  91          HG1       GLU  91  12.295  -3.371  -0.198
  713    H    ILE  92           HN       ILE  92   6.840  -2.484  -0.878
  714    HA   ILE  92           HA       ILE  92   6.314  -4.712   0.822
  715    HB   ILE  92           HB       ILE  92   5.072  -2.312   0.407
  716   1HG1  ILE  92          HG12      ILE  92   3.331  -3.314   1.966
  717   2HG1  ILE  92          HG11      ILE  92   4.205  -4.831   1.793
  718   1HG2  ILE  92          HG21      ILE  92   2.771  -2.828  -0.273
  719   2HG2  ILE  92          HG22      ILE  92   3.292  -4.447  -0.734
  720   3HG2  ILE  92          HG23      ILE  92   3.929  -3.042  -1.584
  721   1HD1  ILE  92          HD11      ILE  92   5.063  -2.301   3.103
  722   2HD1  ILE  92          HD12      ILE  92   6.269  -3.416   2.455
  723   3HD1  ILE  92          HD13      ILE  92   5.139  -3.960   3.698
  724    H    PHE  93           HN       PHE  93   5.481  -3.773  -2.483
  725    HA   PHE  93           HA       PHE  93   3.971  -5.915  -3.289
  726   1HB   PHE  93          HB2       PHE  93   4.372  -5.207  -5.460
  727   2HB   PHE  93          HB1       PHE  93   4.842  -3.764  -4.558
  728    HD1  PHE  93           HD1      PHE  93   7.417  -4.339  -3.539
  729    HD2  PHE  93           HD2      PHE  93   5.758  -5.403  -7.307
  730    HE1  PHE  93           HE1      PHE  93   9.670  -4.513  -4.472
  731    HE2  PHE  93           HE2      PHE  93   8.020  -5.559  -8.263
  732    HZ   PHE  93           HZ       PHE  93   9.989  -5.112  -6.846
  733    H    HIS  94           HN       HIS  94   7.376  -5.809  -2.585
  734    HA   HIS  94           HA       HIS  94   8.195  -8.117  -3.991
  735   1HB   HIS  94          HB2       HIS  94   9.582  -6.233  -2.770
  736   2HB   HIS  94          HB1       HIS  94   9.482  -7.336  -1.401
  737    HD1  HIS  94           HD1      HIS  94  10.489  -9.801  -1.869
  738    HD2  HIS  94           HD2      HIS  94  11.542  -6.823  -4.567
  739    HE1  HIS  94           HE1      HIS  94  12.498 -10.685  -3.094
  740    HE2  HIS  94           HE2      HIS  94  13.070  -8.899  -4.776
  741    H    HIS  95           HN       HIS  95   7.772  -7.746  -0.474
  742    HA   HIS  95           HA       HIS  95   7.633 -10.506   0.051
  743   1HB   HIS  95          HB2       HIS  95   6.864  -8.036   1.563
  744   2HB   HIS  95          HB1       HIS  95   6.361  -9.609   2.173
  745    HD1  HIS  95           HD1      HIS  95   9.563  -9.954   0.558
  746    HD2  HIS  95           HD2      HIS  95   8.241  -8.716   4.298
  747    HE1  HIS  95           HE1      HIS  95  11.574 -10.092   2.062
  748    HE2  HIS  95           HE2      HIS  95  10.729  -9.419   4.338
  749    H    LEU  96           HN       LEU  96   5.436  -8.421  -1.477
  750    HA   LEU  96           HA       LEU  96   3.061  -9.908  -0.688
  751   1HB   LEU  96          HB2       LEU  96   3.549  -7.627  -2.593
  752   2HB   LEU  96          HB1       LEU  96   1.985  -8.411  -2.445
  753    HG   LEU  96           HG       LEU  96   3.461  -6.828  -0.372
  754   1HD1  LEU  96          HD11      LEU  96   0.722  -6.496  -1.587
  755   2HD1  LEU  96          HD12      LEU  96   2.157  -5.577  -2.043
  756   3HD1  LEU  96          HD13      LEU  96   1.486  -5.418  -0.419
  757   1HD2  LEU  96          HD21      LEU  96   1.553  -7.318   1.134
  758   2HD2  LEU  96          HD22      LEU  96   2.552  -8.728   0.780
  759   3HD2  LEU  96          HD23      LEU  96   0.997  -8.524  -0.029
  760    H    GLU  97           HN       GLU  97   4.517  -9.105  -3.838
  761    HA   GLU  97           HA       GLU  97   3.220 -11.180  -5.230
  762   1HB   GLU  97          HB2       GLU  97   5.088  -9.093  -5.828
  763   2HB   GLU  97          HB1       GLU  97   5.689 -10.595  -6.517
  764   1HG   GLU  97          HG2       GLU  97   3.091 -10.701  -7.262
  765   2HG   GLU  97          HG1       GLU  97   3.373  -8.960  -7.269
  766    H    GLU  98           HN       GLU  98   5.837 -11.185  -3.043
  767    HA   GLU  98           HA       GLU  98   7.008 -13.641  -4.084
  768   1HB   GLU  98          HB2       GLU  98   7.629 -11.911  -1.694
  769   2HB   GLU  98          HB1       GLU  98   8.411 -13.461  -1.958
  770   1HG   GLU  98          HG2       GLU  98   8.500 -11.755  -4.306
  771   2HG   GLU  98          HG1       GLU  98   9.264 -11.022  -2.897
  772    H    LEU  99           HN       LEU  99   4.250 -13.017  -2.513
  773    HA   LEU  99           HA       LEU  99   4.420 -15.278  -0.658
  774   1HB   LEU  99          HB2       LEU  99   3.529 -13.156   0.209
  775   2HB   LEU  99          HB1       LEU  99   2.271 -13.185  -1.012
  776    HG   LEU  99           HG       LEU  99   1.588 -15.441   0.048
  777   1HD1  LEU  99          HD11      LEU  99   3.773 -14.662   1.742
  778   2HD1  LEU  99          HD12      LEU  99   2.849 -16.162   1.717
  779   3HD1  LEU  99          HD13      LEU  99   2.283 -14.796   2.675
  780   1HD2  LEU  99          HD21      LEU  99   0.428 -14.108   1.954
  781   2HD2  LEU  99          HD22      LEU  99   0.043 -13.740   0.272
  782   3HD2  LEU  99          HD23      LEU  99   1.154 -12.705   1.169
  783    H    VAL 100           HN       VAL 100   2.011 -13.961  -2.925
  784    HA   VAL 100           HA       VAL 100   0.563 -16.347  -3.213
  785    HB   VAL 100           HB       VAL 100   0.773 -14.095  -5.216
  786   1HG1  VAL 100          HG11      VAL 100  -1.118 -14.891  -6.227
  787   2HG1  VAL 100          HG12      VAL 100  -1.694 -15.700  -4.771
  788   3HG1  VAL 100          HG13      VAL 100  -0.387 -16.411  -5.717
  789   1HG2  VAL 100          HG21      VAL 100  -0.500 -14.278  -2.571
  790   2HG2  VAL 100          HG22      VAL 100  -1.523 -13.637  -3.857
  791   3HG2  VAL 100          HG23      VAL 100   0.018 -12.864  -3.489
  792    H    HIS 101           HN       HIS 101   3.443 -15.185  -4.800
  793    HA   HIS 101           HA       HIS 101   3.317 -17.336  -6.778
  794   1HB   HIS 101          HB2       HIS 101   5.221 -15.008  -6.474
  795   2HB   HIS 101          HB1       HIS 101   5.344 -16.229  -7.735
  796    HD1  HIS 101           HD1      HIS 101   4.770 -13.084  -8.093
  797    HD2  HIS 101           HD2      HIS 101   2.019 -16.186  -8.389
  798    HE1  HIS 101           HE1      HIS 101   2.902 -12.193  -9.522
  799    HE2  HIS 101           HE2      HIS 101   1.292 -14.115  -9.758
  800    H    ARG 102           HN       ARG 102   3.710 -17.977  -3.996
  801    HA   ARG 102           HA       ARG 102   6.273 -19.370  -4.245
  802   1HB   ARG 102          HB2       ARG 102   5.852 -17.193  -2.504
  803   2HB   ARG 102          HB1       ARG 102   5.843 -18.631  -1.493
  804   1HG   ARG 102          HG2       ARG 102   8.006 -18.503  -3.481
  805   2HG   ARG 102          HG1       ARG 102   8.067 -17.288  -2.203
  806   1HD   ARG 102          HD2       ARG 102   7.802 -20.258  -1.748
  807   2HD   ARG 102          HD1       ARG 102   9.314 -19.357  -1.653
  808    HE   ARG 102           HE       ARG 102   7.238 -18.326   0.049
  809   1HH1  ARG 102          HH11      ARG 102   9.845 -20.630  -0.214
  810   2HH1  ARG 102          HH12      ARG 102  10.087 -20.739   1.498
  811   1HH2  ARG 102          HH21      ARG 102   7.554 -18.469   2.300
  812   2HH2  ARG 102          HH22      ARG 102   8.785 -19.514   2.924
  Start of MODEL    6
    1   1H    MET   1           HT1      MET   1  -2.745 -22.652   3.400
    2   2H    MET   1           HT2      MET   1  -1.240 -22.493   4.209
    3   3H    MET   1           HT3      MET   1  -1.576 -21.544   2.819
    4    HA   MET   1           HA       MET   1  -3.501 -20.636   4.112
    5   1HB   MET   1          HB2       MET   1  -2.006 -22.251   6.126
    6   2HB   MET   1          HB1       MET   1  -2.698 -20.722   6.649
    7   1HG   MET   1          HG2       MET   1  -4.891 -21.429   6.126
    8   2HG   MET   1          HG1       MET   1  -4.302 -22.841   5.252
    9   1HE   MET   1          HE1       MET   1  -3.951 -22.345   9.823
   10   2HE   MET   1          HE2       MET   1  -4.387 -21.060   8.697
   11   3HE   MET   1          HE3       MET   1  -2.740 -21.688   8.723
   12    H    TYR   2           HN       TYR   2  -2.427 -18.980   2.928
   13    HA   TYR   2           HA       TYR   2  -0.101 -17.774   4.252
   14   1HB   TYR   2          HB2       TYR   2  -1.231 -17.479   1.470
   15   2HB   TYR   2          HB1       TYR   2   0.002 -16.396   2.107
   16    HD1  TYR   2           HD1      TYR   2   2.114 -17.621   3.124
   17    HD2  TYR   2           HD2      TYR   2  -0.548 -19.343   0.289
   18    HE1  TYR   2           HE1      TYR   2   3.866 -19.212   2.455
   19    HE2  TYR   2           HE2      TYR   2   1.196 -20.940  -0.389
   20    HH   TYR   2           HH       TYR   2   4.470 -20.628   0.628
   21    H    GLY   3           HN       GLY   3  -1.262 -16.805   5.967
   22   1HA   GLY   3          HA2       GLY   3  -2.784 -14.424   5.123
   23   2HA   GLY   3          HA1       GLY   3  -3.346 -15.435   6.444
   24    H    LYS   4           HN       LYS   4   0.018 -15.262   6.395
   25    HA   LYS   4           HA       LYS   4  -0.040 -13.369   8.625
   26   1HB   LYS   4          HB2       LYS   4   1.095 -15.630   8.848
   27   2HB   LYS   4          HB1       LYS   4   2.294 -15.048   7.699
   28   1HG   LYS   4          HG2       LYS   4   3.111 -14.819   9.962
   29   2HG   LYS   4          HG1       LYS   4   2.874 -13.230   9.230
   30   1HD   LYS   4          HD2       LYS   4   0.934 -12.820  10.490
   31   2HD   LYS   4          HD1       LYS   4   0.761 -14.520  10.934
   32   1HE   LYS   4          HE2       LYS   4   1.567 -13.249  12.829
   33   2HE   LYS   4          HE1       LYS   4   2.821 -14.356  12.271
   34   1HZ   LYS   4          HZ1       LYS   4   4.122 -12.561  12.301
   35   2HZ   LYS   4          HZ2       LYS   4   2.819 -11.483  12.363
   36   3HZ   LYS   4          HZ3       LYS   4   3.338 -12.098  10.874
   37    H    LEU   5           HN       LEU   5   0.906 -13.606   5.342
   38    HA   LEU   5           HA       LEU   5   2.972 -11.766   5.219
   39   1HB   LEU   5          HB2       LEU   5   1.619 -13.132   3.353
   40   2HB   LEU   5          HB1       LEU   5   0.845 -11.570   3.151
   41    HG   LEU   5           HG       LEU   5   2.637 -11.684   1.580
   42   1HD1  LEU   5          HD11      LEU   5   2.310  -9.559   2.850
   43   2HD1  LEU   5          HD12      LEU   5   3.932  -9.769   2.190
   44   3HD1  LEU   5          HD13      LEU   5   3.634 -10.053   3.907
   45   1HD2  LEU   5          HD21      LEU   5   3.892 -13.255   3.556
   46   2HD2  LEU   5          HD22      LEU   5   4.928 -11.853   3.294
   47   3HD2  LEU   5          HD23      LEU   5   4.478 -12.882   1.935
   48    H    ASN   6           HN       ASN   6  -0.358 -11.364   6.039
   49    HA   ASN   6           HA       ASN   6  -0.689  -8.660   5.474
   50   1HB   ASN   6          HB2       ASN   6  -2.407  -8.694   7.297
   51   2HB   ASN   6          HB1       ASN   6  -2.617  -9.921   6.053
   52   1HD2  ASN   6          HD21      ASN   6  -3.918 -10.390   8.276
   53   2HD2  ASN   6          HD22      ASN   6  -3.156 -11.604   9.240
   54    H    ASP   7           HN       ASP   7   0.707 -10.289   8.263
   55    HA   ASP   7           HA       ASP   7   0.986  -8.191  10.030
   56   1HB   ASP   7          HB2       ASP   7   1.637 -10.516  10.546
   57   2HB   ASP   7          HB1       ASP   7   3.023 -10.361   9.470
   58    H    LEU   8           HN       LEU   8   2.685  -8.836   7.071
   59    HA   LEU   8           HA       LEU   8   4.690  -6.794   7.529
   60   1HB   LEU   8          HB2       LEU   8   5.338  -8.774   6.299
   61   2HB   LEU   8          HB1       LEU   8   4.049  -8.525   5.139
   62    HG   LEU   8           HG       LEU   8   6.406  -7.922   4.400
   63   1HD1  LEU   8          HD11      LEU   8   5.511  -6.577   2.850
   64   2HD1  LEU   8          HD12      LEU   8   4.839  -5.471   4.047
   65   3HD1  LEU   8          HD13      LEU   8   3.990  -6.964   3.652
   66   1HD2  LEU   8          HD21      LEU   8   7.253  -6.793   6.306
   67   2HD2  LEU   8          HD22      LEU   8   5.891  -5.673   6.330
   68   3HD2  LEU   8          HD23      LEU   8   7.081  -5.586   5.032
   69    H    LEU   9           HN       LEU   9   1.639  -7.192   5.869
   70    HA   LEU   9           HA       LEU   9   1.804  -4.878   4.241
   71   1HB   LEU   9          HB2       LEU   9  -0.308  -6.775   5.071
   72   2HB   LEU   9          HB1       LEU   9  -0.856  -5.186   4.571
   73    HG   LEU   9           HG       LEU   9   1.073  -6.506   2.766
   74   1HD1  LEU   9          HD11      LEU   9  -0.038  -8.397   2.457
   75   2HD1  LEU   9          HD12      LEU   9  -1.474  -7.474   2.014
   76   3HD1  LEU   9          HD13      LEU   9  -1.208  -7.936   3.695
   77   1HD2  LEU   9          HD21      LEU   9  -0.793  -5.653   1.162
   78   2HD2  LEU   9          HD22      LEU   9   0.293  -4.500   1.938
   79   3HD2  LEU   9          HD23      LEU   9  -1.331  -4.747   2.575
   80    H    GLU  10           HN       GLU  10   0.761  -5.485   7.531
   81    HA   GLU  10           HA       GLU  10  -0.714  -3.263   8.152
   82   1HB   GLU  10          HB2       GLU  10   1.282  -4.822   9.774
   83   2HB   GLU  10          HB1       GLU  10   0.391  -3.475  10.468
   84   1HG   GLU  10          HG2       GLU  10  -0.972  -5.792   9.135
   85   2HG   GLU  10          HG1       GLU  10  -0.550  -5.791  10.847
   86    H    ASP  11           HN       ASP  11   2.825  -3.525   8.118
   87    HA   ASP  11           HA       ASP  11   3.425  -0.972   9.067
   88   1HB   ASP  11          HB2       ASP  11   4.854  -3.155   7.963
   89   2HB   ASP  11          HB1       ASP  11   5.326  -1.725   7.050
   90    H    LEU  12           HN       LEU  12   2.726  -2.082   5.799
   91    HA   LEU  12           HA       LEU  12   3.337   0.252   4.419
   92   1HB   LEU  12          HB2       LEU  12   2.883  -1.119   2.732
   93   2HB   LEU  12          HB1       LEU  12   2.197  -2.281   3.841
   94    HG   LEU  12           HG       LEU  12   0.308  -0.154   3.111
   95   1HD1  LEU  12          HD11      LEU  12   0.104  -1.655   0.849
   96   2HD1  LEU  12          HD12      LEU  12   1.849  -1.474   1.018
   97   3HD1  LEU  12          HD13      LEU  12   0.816  -0.046   0.948
   98   1HD2  LEU  12          HD21      LEU  12  -0.825  -2.476   2.376
   99   2HD2  LEU  12          HD22      LEU  12  -0.819  -1.884   4.036
  100   3HD2  LEU  12          HD23      LEU  12   0.375  -3.075   3.520
  101    H    GLN  13           HN       GLN  13   0.091  -0.898   5.311
  102    HA   GLN  13           HA       GLN  13  -1.344   1.330   4.630
  103   1HB   GLN  13          HB2       GLN  13  -2.210  -0.899   5.501
  104   2HB   GLN  13          HB1       GLN  13  -1.922  -0.282   7.122
  105   1HG   GLN  13          HG2       GLN  13  -3.443   1.612   6.606
  106   2HG   GLN  13          HG1       GLN  13  -3.809   0.838   5.065
  107   1HE2  GLN  13          HE21      GLN  13  -3.691   0.066   8.527
  108   2HE2  GLN  13          HE22      GLN  13  -5.131  -0.888   8.539
  109    H    GLU  14           HN       GLU  14   0.421   0.776   7.662
  110    HA   GLU  14           HA       GLU  14  -0.449   3.212   8.886
  111   1HB   GLU  14          HB2       GLU  14   1.234   0.962   9.586
  112   2HB   GLU  14          HB1       GLU  14   2.011   2.475  10.030
  113   1HG   GLU  14          HG2       GLU  14  -0.822   1.846  10.788
  114   2HG   GLU  14          HG1       GLU  14   0.555   1.365  11.779
  115    H    VAL  15           HN       VAL  15   2.118   2.269   6.763
  116    HA   VAL  15           HA       VAL  15   3.748   4.557   7.097
  117    HB   VAL  15           HB       VAL  15   4.165   2.227   5.925
  118   1HG1  VAL  15          HG11      VAL  15   2.644   3.471   3.939
  119   2HG1  VAL  15          HG12      VAL  15   3.564   1.978   3.820
  120   3HG1  VAL  15          HG13      VAL  15   4.311   3.502   3.374
  121   1HG2  VAL  15          HG21      VAL  15   5.449   4.852   5.242
  122   2HG2  VAL  15          HG22      VAL  15   6.140   3.274   4.850
  123   3HG2  VAL  15          HG23      VAL  15   5.887   3.727   6.531
  124    H    LEU  16           HN       LEU  16   0.796   3.972   5.439
  125    HA   LEU  16           HA       LEU  16   0.940   6.112   3.572
  126   1HB   LEU  16          HB2       LEU  16  -1.356   4.625   4.808
  127   2HB   LEU  16          HB1       LEU  16  -1.602   5.956   3.704
  128    HG   LEU  16           HG       LEU  16  -1.857   3.910   2.495
  129   1HD1  LEU  16          HD11      LEU  16   0.770   4.375   1.424
  130   2HD1  LEU  16          HD12      LEU  16  -0.049   5.894   1.792
  131   3HD1  LEU  16          HD13      LEU  16  -0.810   4.717   0.724
  132   1HD2  LEU  16          HD21      LEU  16   0.925   3.025   2.930
  133   2HD2  LEU  16          HD22      LEU  16  -0.543   2.082   2.666
  134   3HD2  LEU  16          HD23      LEU  16  -0.216   2.785   4.249
  135    H    LYS  17           HN       LYS  17  -0.015   5.797   6.936
  136    HA   LYS  17           HA       LYS  17  -1.446   8.037   7.475
  137   1HB   LYS  17          HB2       LYS  17  -0.557   6.301   9.120
  138   2HB   LYS  17          HB1       LYS  17   0.918   7.256   9.179
  139   1HG   LYS  17          HG2       LYS  17  -0.448   7.845  11.047
  140   2HG   LYS  17          HG1       LYS  17  -0.434   9.201   9.916
  141   1HD   LYS  17          HD2       LYS  17  -2.598   7.188   9.631
  142   2HD   LYS  17          HD1       LYS  17  -2.680   8.286  11.010
  143   1HE   LYS  17          HE2       LYS  17  -2.027   9.889   8.810
  144   2HE   LYS  17          HE1       LYS  17  -3.270   8.780   8.233
  145   1HZ   LYS  17          HZ1       LYS  17  -4.271   9.528  10.601
  146   2HZ   LYS  17          HZ2       LYS  17  -4.652  10.275   9.133
  147   3HZ   LYS  17          HZ3       LYS  17  -3.470  10.945  10.140
  148    H    ASN  18           HN       ASN  18   2.025   7.834   6.961
  149    HA   ASN  18           HA       ASN  18   2.626  10.565   7.438
  150   1HB   ASN  18          HB2       ASN  18   3.992   8.232   6.241
  151   2HB   ASN  18          HB1       ASN  18   4.508   9.785   5.597
  152   1HD2  ASN  18          HD21      ASN  18   6.197   8.120   7.018
  153   2HD2  ASN  18          HD22      ASN  18   6.605   8.877   8.517
  154    H    LEU  19           HN       LEU  19   1.993   8.709   4.520
  155    HA   LEU  19           HA       LEU  19   2.258  10.579   2.543
  156   1HB   LEU  19          HB2       LEU  19   1.835   8.580   1.622
  157   2HB   LEU  19          HB1       LEU  19   0.819   8.069   2.946
  158    HG   LEU  19           HG       LEU  19  -0.383  10.043   1.100
  159   1HD1  LEU  19          HD11      LEU  19  -0.831   8.475  -0.636
  160   2HD1  LEU  19          HD12      LEU  19  -0.059   7.169   0.265
  161   3HD1  LEU  19          HD13      LEU  19   0.915   8.487  -0.383
  162   1HD2  LEU  19          HD21      LEU  19  -1.168   7.845   2.881
  163   2HD2  LEU  19          HD22      LEU  19  -2.101   7.975   1.391
  164   3HD2  LEU  19          HD23      LEU  19  -2.002   9.347   2.492
  165    H    HIS  20           HN       HIS  20  -0.812   9.834   4.212
  166    HA   HIS  20           HA       HIS  20  -2.478  11.637   3.046
  167   1HB   HIS  20          HB2       HIS  20  -2.325  10.816   5.943
  168   2HB   HIS  20          HB1       HIS  20  -3.645  11.776   5.296
  169    HD1  HIS  20           HD1      HIS  20  -5.581  10.493   4.440
  170    HD2  HIS  20           HD2      HIS  20  -2.149   8.167   4.650
  171    HE1  HIS  20           HE1      HIS  20  -6.327   8.149   3.928
  172    HE2  HIS  20           HE2      HIS  20  -4.250   6.744   4.165
  173    H    LYS  21           HN       LYS  21   0.101  12.409   5.266
  174    HA   LYS  21           HA       LYS  21  -0.902  15.120   5.628
  175   1HB   LYS  21          HB2       LYS  21   1.693  14.122   6.735
  176   2HB   LYS  21          HB1       LYS  21   0.604  15.341   7.385
  177   1HG   LYS  21          HG2       LYS  21  -0.076  12.417   7.216
  178   2HG   LYS  21          HG1       LYS  21   0.644  13.183   8.634
  179   1HD   LYS  21          HD2       LYS  21  -1.621  13.249   9.139
  180   2HD   LYS  21          HD1       LYS  21  -1.343  14.845   8.441
  181   1HE   LYS  21          HE2       LYS  21  -2.421  14.298   6.446
  182   2HE   LYS  21          HE1       LYS  21  -2.212  12.570   6.707
  183   1HZ   LYS  21          HZ1       LYS  21  -4.491  13.880   7.152
  184   2HZ   LYS  21          HZ2       LYS  21  -3.812  13.925   8.700
  185   3HZ   LYS  21          HZ3       LYS  21  -4.068  12.439   7.932
  186    H    ASN  22           HN       ASN  22   1.420  13.502   3.649
  187    HA   ASN  22           HA       ASN  22   2.479  16.143   2.879
  188   1HB   ASN  22          HB2       ASN  22   3.908  13.504   3.108
  189   2HB   ASN  22          HB1       ASN  22   4.567  14.854   2.189
  190   1HD2  ASN  22          HD21      ASN  22   4.290  17.008   3.553
  191   2HD2  ASN  22          HD22      ASN  22   4.951  16.904   5.145
  192    H    TRP  23           HN       TRP  23   0.653  13.548   1.792
  193    HA   TRP  23           HA       TRP  23   1.594  13.220  -0.819
  194   1HB   TRP  23          HB2       TRP  23  -0.185  11.865  -1.098
  195   2HB   TRP  23          HB1       TRP  23  -0.403  12.091   0.632
  196    HD1  TRP  23           HD1      TRP  23  -2.648  13.074   1.360
  197    HE1  TRP  23           HE1      TRP  23  -4.667  14.121   0.184
  198    HE3  TRP  23           HE3      TRP  23  -0.694  13.324  -3.296
  199    HZ2  TRP  23           HZ2      TRP  23  -5.344  14.926  -2.476
  200    HZ3  TRP  23           HZ3      TRP  23  -2.067  14.211  -5.120
  201    HH2  TRP  23           HH2      TRP  23  -4.348  15.007  -4.725
  202    H    HIS  24           HN       HIS  24  -0.410  15.698   0.601
  203    HA   HIS  24           HA       HIS  24   0.126  17.567  -1.428
  204   1HB   HIS  24          HB2       HIS  24  -1.380  16.242  -2.806
  205   2HB   HIS  24          HB1       HIS  24  -2.609  16.283  -1.550
  206    HD1  HIS  24           HD1      HIS  24  -0.678  18.903  -3.542
  207    HD2  HIS  24           HD2      HIS  24  -4.489  18.124  -2.086
  208    HE1  HIS  24           HE1      HIS  24  -2.102  20.821  -4.328
  209    HE2  HIS  24           HE2      HIS  24  -4.423  20.281  -3.511
  210    H    GLY  25           HN       GLY  25  -2.492  16.597   0.776
  211   1HA   GLY  25          HA2       GLY  25  -2.210  18.204   2.861
  212   2HA   GLY  25          HA1       GLY  25  -2.767  19.363   1.666
  213    H    GLY  26           HN       GLY  26  -3.816  17.808   4.209
  214   1HA   GLY  26          HA2       GLY  26  -5.937  17.425   5.009
  215   2HA   GLY  26          HA1       GLY  26  -6.561  18.034   3.483
  216    H    LYS  27           HN       LYS  27  -6.346  15.372   5.430
  217    HA   LYS  27           HA       LYS  27  -5.977  13.246   3.657
  218   1HB   LYS  27          HB2       LYS  27  -5.947  12.709   5.940
  219   2HB   LYS  27          HB1       LYS  27  -7.473  13.525   6.248
  220   1HG   LYS  27          HG2       LYS  27  -8.730  11.767   5.473
  221   2HG   LYS  27          HG1       LYS  27  -7.438  11.161   4.436
  222   1HD   LYS  27          HD2       LYS  27  -6.688   9.804   6.039
  223   2HD   LYS  27          HD1       LYS  27  -6.652  11.117   7.217
  224   1HE   LYS  27          HE2       LYS  27  -8.980  10.789   7.728
  225   2HE   LYS  27          HE1       LYS  27  -9.136   9.598   6.439
  226   1HZ   LYS  27          HZ1       LYS  27  -8.163   7.998   7.673
  227   2HZ   LYS  27          HZ2       LYS  27  -8.720   8.938   8.964
  228   3HZ   LYS  27          HZ3       LYS  27  -7.110   9.065   8.460
  229    H    ASP  28           HN       ASP  28  -8.569  15.474   3.905
  230    HA   ASP  28           HA       ASP  28 -10.776  14.027   3.111
  231   1HB   ASP  28          HB2       ASP  28 -10.218  16.693   3.470
  232   2HB   ASP  28          HB1       ASP  28 -10.533  16.612   1.739
  233    H    ASN  29           HN       ASN  29  -8.105  15.239   1.143
  234    HA   ASN  29           HA       ASN  29  -9.339  14.310  -1.310
  235   1HB   ASN  29          HB2       ASN  29  -6.535  15.352  -0.851
  236   2HB   ASN  29          HB1       ASN  29  -7.327  15.139  -2.408
  237   1HD2  ASN  29          HD21      ASN  29  -6.331  17.442  -0.512
  238   2HD2  ASN  29          HD22      ASN  29  -7.570  18.629  -0.713
  239    H    LEU  30           HN       LEU  30  -6.610  13.392   0.757
  240    HA   LEU  30           HA       LEU  30  -5.722  11.218  -0.796
  241   1HB   LEU  30          HB2       LEU  30  -4.641  12.390   1.262
  242   2HB   LEU  30          HB1       LEU  30  -5.569  11.242   2.197
  243    HG   LEU  30           HG       LEU  30  -3.199  10.573   1.776
  244   1HD1  LEU  30          HD11      LEU  30  -5.529   9.050   1.746
  245   2HD1  LEU  30          HD12      LEU  30  -3.897   8.499   2.101
  246   3HD1  LEU  30          HD13      LEU  30  -4.522   8.390   0.461
  247   1HD2  LEU  30          HD21      LEU  30  -2.321  10.233  -0.274
  248   2HD2  LEU  30          HD22      LEU  30  -3.564  11.389  -0.765
  249   3HD2  LEU  30          HD23      LEU  30  -3.848   9.663  -0.943
  250    H    HIS  31           HN       HIS  31  -8.365  11.615   1.418
  251    HA   HIS  31           HA       HIS  31  -8.924   9.063   2.247
  252   1HB   HIS  31          HB2       HIS  31 -10.272  11.504   2.225
  253   2HB   HIS  31          HB1       HIS  31 -11.347  10.410   1.362
  254    HD1  HIS  31           HD1      HIS  31 -10.228   7.955   3.283
  255    HD2  HIS  31           HD2      HIS  31 -12.130  11.485   4.377
  256    HE1  HIS  31           HE1      HIS  31 -11.243   7.501   5.539
  257    HE2  HIS  31           HE2      HIS  31 -12.307   9.680   6.221
  258    H    ASP  32           HN       ASP  32  -9.474  10.496  -0.918
  259    HA   ASP  32           HA       ASP  32 -10.950   8.249  -1.916
  260   1HB   ASP  32          HB2       ASP  32 -10.133  10.865  -2.897
  261   2HB   ASP  32          HB1       ASP  32  -9.974   9.618  -4.130
  262    H    VAL  33           HN       VAL  33  -7.629   9.095  -1.642
  263    HA   VAL  33           HA       VAL  33  -6.743   7.116  -3.571
  264    HB   VAL  33           HB       VAL  33  -5.480   9.275  -1.998
  265   1HG1  VAL  33          HG11      VAL  33  -3.976   7.703  -1.196
  266   2HG1  VAL  33          HG12      VAL  33  -3.203   8.231  -2.690
  267   3HG1  VAL  33          HG13      VAL  33  -4.093   6.710  -2.644
  268   1HG2  VAL  33          HG21      VAL  33  -6.113   9.471  -4.371
  269   2HG2  VAL  33          HG22      VAL  33  -4.959   8.190  -4.750
  270   3HG2  VAL  33          HG23      VAL  33  -4.389   9.727  -4.093
  271    H    ASP  34           HN       ASP  34  -6.238   7.688  -0.069
  272    HA   ASP  34           HA       ASP  34  -5.053   5.202   0.427
  273   1HB   ASP  34          HB2       ASP  34  -4.711   6.639   2.190
  274   2HB   ASP  34          HB1       ASP  34  -6.351   7.284   2.127
  275    H    ASN  35           HN       ASN  35  -8.367   6.113  -0.072
  276    HA   ASN  35           HA       ASN  35  -9.659   3.950   1.172
  277   1HB   ASN  35          HB2       ASN  35 -10.351   5.978  -0.819
  278   2HB   ASN  35          HB1       ASN  35 -11.141   4.438  -1.133
  279   1HD2  ASN  35          HD21      ASN  35 -12.982   4.089  -0.139
  280   2HD2  ASN  35          HD22      ASN  35 -13.537   4.889   1.288
  281    H    HIS  36           HN       HIS  36  -8.140   4.350  -1.969
  282    HA   HIS  36           HA       HIS  36  -8.814   1.822  -3.043
  283   1HB   HIS  36          HB2       HIS  36  -6.869   3.980  -3.659
  284   2HB   HIS  36          HB1       HIS  36  -6.440   2.375  -4.239
  285    HD1  HIS  36           HD1      HIS  36 -10.051   2.956  -4.202
  286    HD2  HIS  36           HD2      HIS  36  -6.906   3.572  -6.847
  287    HE1  HIS  36           HE1      HIS  36 -11.123   3.341  -6.443
  288    HE2  HIS  36           HE2      HIS  36  -9.205   3.791  -8.012
  289    H    LEU  37           HN       LEU  37  -5.962   3.062  -1.339
  290    HA   LEU  37           HA       LEU  37  -4.466   0.707  -1.198
  291   1HB   LEU  37          HB2       LEU  37  -3.900   3.123  -0.456
  292   2HB   LEU  37          HB1       LEU  37  -4.601   2.659   1.076
  293    HG   LEU  37           HG       LEU  37  -2.484   2.131   1.588
  294   1HD1  LEU  37          HD11      LEU  37  -1.864  -0.188   1.122
  295   2HD1  LEU  37          HD12      LEU  37  -3.121  -0.273  -0.113
  296   3HD1  LEU  37          HD13      LEU  37  -3.561  -0.045   1.580
  297   1HD2  LEU  37          HD21      LEU  37  -1.272   3.035  -0.139
  298   2HD2  LEU  37          HD22      LEU  37  -2.086   2.060  -1.362
  299   3HD2  LEU  37          HD23      LEU  37  -0.872   1.326  -0.314
  300    H    GLN  38           HN       GLN  38  -6.353   2.063   1.503
  301    HA   GLN  38           HA       GLN  38  -6.352  -0.080   3.191
  302   1HB   GLN  38          HB2       GLN  38  -7.533   2.324   3.268
  303   2HB   GLN  38          HB1       GLN  38  -8.950   1.340   2.924
  304   1HG   GLN  38          HG2       GLN  38  -7.197   0.385   5.092
  305   2HG   GLN  38          HG1       GLN  38  -8.080   1.880   5.397
  306   1HE2  GLN  38          HE21      GLN  38  -8.330  -0.851   6.530
  307   2HE2  GLN  38          HE22      GLN  38  -9.989  -1.279   6.312
  308    H    ASN  39           HN       ASN  39  -8.558   0.473   0.477
  309    HA   ASN  39           HA       ASN  39 -10.217  -1.759   0.907
  310   1HB   ASN  39          HB2       ASN  39  -9.599  -0.005  -1.432
  311   2HB   ASN  39          HB1       ASN  39 -10.461  -1.513  -1.723
  312   1HD2  ASN  39          HD21      ASN  39 -12.499  -0.970  -2.060
  313   2HD2  ASN  39          HD22      ASN  39 -13.453   0.046  -1.038
  314    H    VAL  40           HN       VAL  40  -7.078  -1.402  -0.570
  315    HA   VAL  40           HA       VAL  40  -6.991  -3.863  -1.952
  316    HB   VAL  40           HB       VAL  40  -4.678  -2.330  -0.745
  317   1HG1  VAL  40          HG11      VAL  40  -3.561  -4.185  -1.338
  318   2HG1  VAL  40          HG12      VAL  40  -3.718  -3.547  -2.975
  319   3HG1  VAL  40          HG13      VAL  40  -4.861  -4.755  -2.385
  320   1HG2  VAL  40          HG21      VAL  40  -6.397  -1.778  -3.018
  321   2HG2  VAL  40          HG22      VAL  40  -4.698  -1.899  -3.476
  322   3HG2  VAL  40          HG23      VAL  40  -5.196  -0.754  -2.234
  323    H    ILE  41           HN       ILE  41  -5.734  -2.926   1.247
  324    HA   ILE  41           HA       ILE  41  -4.620  -5.235   2.127
  325    HB   ILE  41           HB       ILE  41  -6.104  -3.067   3.515
  326   1HG1  ILE  41          HG12      ILE  41  -3.969  -2.780   4.645
  327   2HG1  ILE  41          HG11      ILE  41  -3.370  -4.281   3.949
  328   1HG2  ILE  41          HG21      ILE  41  -5.445  -4.302   5.713
  329   2HG2  ILE  41          HG22      ILE  41  -5.580  -5.751   4.715
  330   3HG2  ILE  41          HG23      ILE  41  -6.970  -4.683   4.912
  331   1HD1  ILE  41          HD11      ILE  41  -3.120  -3.357   1.849
  332   2HD1  ILE  41          HD12      ILE  41  -2.666  -2.027   2.915
  333   3HD1  ILE  41          HD13      ILE  41  -4.265  -2.055   2.174
  334    H    GLU  42           HN       GLU  42  -8.104  -4.552   2.041
  335    HA   GLU  42           HA       GLU  42  -8.816  -7.018   3.308
  336   1HB   GLU  42          HB2       GLU  42 -11.076  -6.416   2.906
  337   2HB   GLU  42          HB1       GLU  42 -10.236  -4.912   3.250
  338   1HG   GLU  42          HG2       GLU  42 -10.799  -4.051   1.291
  339   2HG   GLU  42          HG1       GLU  42 -10.242  -5.476   0.420
  340    H    ASP  43           HN       ASP  43  -8.173  -6.010   0.063
  341    HA   ASP  43           HA       ASP  43  -9.295  -8.411  -1.097
  342   1HB   ASP  43          HB2       ASP  43  -8.057  -5.911  -2.119
  343   2HB   ASP  43          HB1       ASP  43  -7.859  -7.350  -3.117
  344    H    ILE  44           HN       ILE  44  -6.227  -7.206   0.021
  345    HA   ILE  44           HA       ILE  44  -4.737  -9.373  -1.202
  346    HB   ILE  44           HB       ILE  44  -3.688  -7.419   0.840
  347   1HG1  ILE  44          HG12      ILE  44  -4.621  -6.069  -0.925
  348   2HG1  ILE  44          HG11      ILE  44  -2.876  -6.098  -1.130
  349   1HG2  ILE  44          HG21      ILE  44  -1.556  -7.860  -0.426
  350   2HG2  ILE  44          HG22      ILE  44  -2.413  -9.166  -1.247
  351   3HG2  ILE  44          HG23      ILE  44  -2.191  -9.221   0.503
  352   1HD1  ILE  44          HD11      ILE  44  -4.952  -7.553  -2.730
  353   2HD1  ILE  44          HD12      ILE  44  -3.233  -7.937  -2.816
  354   3HD1  ILE  44          HD13      ILE  44  -3.803  -6.333  -3.276
  355    H    HIS  45           HN       HIS  45  -5.876  -8.406   1.992
  356    HA   HIS  45           HA       HIS  45  -4.596 -10.594   3.334
  357   1HB   HIS  45          HB2       HIS  45  -6.745  -8.704   4.299
  358   2HB   HIS  45          HB1       HIS  45  -5.840  -9.824   5.315
  359    HD1  HIS  45           HD1      HIS  45  -4.976  -7.714   6.655
  360    HD2  HIS  45           HD2      HIS  45  -3.763  -7.935   2.689
  361    HE1  HIS  45           HE1      HIS  45  -3.089  -6.065   6.440
  362    HE2  HIS  45           HE2      HIS  45  -2.483  -6.102   3.993
  363    H    ASP  46           HN       ASP  46  -7.824  -9.943   2.084
  364    HA   ASP  46           HA       ASP  46  -8.955 -12.307   3.256
  365   1HB   ASP  46          HB2       ASP  46 -10.256 -10.224   2.633
  366   2HB   ASP  46          HB1       ASP  46 -10.078 -10.710   0.950
  367    H    PHE  47           HN       PHE  47  -7.315 -11.492   0.299
  368    HA   PHE  47           HA       PHE  47  -8.121 -13.989  -0.976
  369   1HB   PHE  47          HB2       PHE  47  -6.522 -11.625  -1.877
  370   2HB   PHE  47          HB1       PHE  47  -6.415 -13.139  -2.759
  371    HD1  PHE  47           HD1      PHE  47  -7.495 -10.360  -3.647
  372    HD2  PHE  47           HD2      PHE  47  -9.369 -13.933  -2.287
  373    HE1  PHE  47           HE1      PHE  47  -9.525  -9.771  -4.902
  374    HE2  PHE  47           HE2      PHE  47 -11.401 -13.347  -3.540
  375    HZ   PHE  47           HZ       PHE  47 -11.481 -11.264  -4.850
  376    H    MET  48           HN       MET  48  -5.143 -12.558   0.327
  377    HA   MET  48           HA       MET  48  -3.271 -14.415  -0.388
  378   1HB   MET  48          HB2       MET  48  -2.035 -13.828   1.616
  379   2HB   MET  48          HB1       MET  48  -2.783 -12.392   0.929
  380   1HG   MET  48          HG2       MET  48  -4.527 -12.457   2.585
  381   2HG   MET  48          HG1       MET  48  -3.902 -13.972   3.229
  382   1HE   MET  48          HE1       MET  48  -4.167 -10.974   5.227
  383   2HE   MET  48          HE2       MET  48  -3.101 -11.987   6.199
  384   3HE   MET  48          HE3       MET  48  -4.406 -12.721   5.270
  385    H    GLN  49           HN       GLN  49  -5.841 -14.806   1.938
  386    HA   GLN  49           HA       GLN  49  -4.819 -17.110   3.235
  387   1HB   GLN  49          HB2       GLN  49  -7.492 -15.789   3.048
  388   2HB   GLN  49          HB1       GLN  49  -7.397 -17.421   3.699
  389   1HG   GLN  49          HG2       GLN  49  -5.482 -16.328   5.163
  390   2HG   GLN  49          HG1       GLN  49  -6.407 -14.866   4.823
  391   1HE2  GLN  49          HE21      GLN  49  -6.068 -17.444   6.874
  392   2HE2  GLN  49          HE22      GLN  49  -7.609 -17.385   7.652
  393    H    GLY  50           HN       GLY  50  -6.553 -16.607   0.264
  394   1HA   GLY  50          HA2       GLY  50  -6.000 -18.677  -1.208
  395   2HA   GLY  50          HA1       GLY  50  -7.001 -19.496  -0.021
  396    H    GLY  51           HN       GLY  51  -8.500 -16.706  -0.020
  397   1HA   GLY  51          HA2       GLY  51 -10.728 -17.520  -1.469
  398   2HA   GLY  51          HA1       GLY  51 -10.382 -15.856  -1.022
  399    H    GLY  52           HN       GLY  52  -7.804 -16.074  -2.624
  400   1HA   GLY  52          HA2       GLY  52  -7.981 -16.644  -5.236
  401   2HA   GLY  52          HA1       GLY  52  -8.989 -15.208  -5.129
  402    H    SER  53           HN       SER  53  -5.868 -16.201  -3.726
  403    HA   SER  53           HA       SER  53  -4.808 -13.553  -3.972
  404   1HB   SER  53          HB2       SER  53  -4.245 -15.477  -2.251
  405   2HB   SER  53          HB1       SER  53  -3.049 -15.919  -3.471
  406    HG   SER  53           HG       SER  53  -2.530 -13.526  -3.332
  407    H    GLY  54           HN       GLY  54  -4.919 -16.312  -6.021
  408   1HA   GLY  54          HA2       GLY  54  -2.609 -15.492  -7.587
  409   2HA   GLY  54          HA1       GLY  54  -3.622 -16.896  -7.882
  410    H    GLY  55           HN       GLY  55  -3.630 -13.350  -8.046
  411   1HA   GLY  55          HA2       GLY  55  -4.186 -12.792 -10.550
  412   2HA   GLY  55          HA1       GLY  55  -5.741 -13.459 -10.075
  413    H    LYS  56           HN       LYS  56  -5.097 -12.243  -7.296
  414    HA   LYS  56           HA       LYS  56  -6.392  -9.704  -7.864
  415   1HB   LYS  56          HB2       LYS  56  -6.672  -9.552  -5.425
  416   2HB   LYS  56          HB1       LYS  56  -7.292 -11.070  -6.060
  417   1HG   LYS  56          HG2       LYS  56  -6.157 -11.946  -4.334
  418   2HG   LYS  56          HG1       LYS  56  -4.781 -11.813  -5.428
  419   1HD   LYS  56          HD2       LYS  56  -4.610  -9.399  -4.407
  420   2HD   LYS  56          HD1       LYS  56  -5.516 -10.127  -3.080
  421   1HE   LYS  56          HE2       LYS  56  -3.116 -11.546  -4.129
  422   2HE   LYS  56          HE1       LYS  56  -2.882 -10.130  -3.106
  423   1HZ   LYS  56          HZ1       LYS  56  -4.104 -11.167  -1.358
  424   2HZ   LYS  56          HZ2       LYS  56  -2.934 -12.267  -1.883
  425   3HZ   LYS  56          HZ3       LYS  56  -4.548 -12.467  -2.346
  426    H    LEU  57           HN       LEU  57  -3.400 -10.877  -6.374
  427    HA   LEU  57           HA       LEU  57  -2.433  -8.345  -5.626
  428   1HB   LEU  57          HB2       LEU  57  -1.521 -10.364  -4.677
  429   2HB   LEU  57          HB1       LEU  57  -0.950 -10.889  -6.251
  430    HG   LEU  57           HG       LEU  57   0.657  -9.067  -6.314
  431   1HD1  LEU  57          HD11      LEU  57   0.963  -7.566  -4.440
  432   2HD1  LEU  57          HD12      LEU  57  -0.376  -8.326  -3.581
  433   3HD1  LEU  57          HD13      LEU  57  -0.679  -7.423  -5.065
  434   1HD2  LEU  57          HD21      LEU  57   2.163  -9.874  -4.680
  435   2HD2  LEU  57          HD22      LEU  57   1.164 -11.247  -5.156
  436   3HD2  LEU  57          HD23      LEU  57   0.853 -10.413  -3.632
  437    H    GLN  58           HN       GLN  58  -2.864  -9.616  -8.731
  438    HA   GLN  58           HA       GLN  58  -0.608  -8.206  -9.872
  439   1HB   GLN  58          HB2       GLN  58  -1.729  -8.936 -12.076
  440   2HB   GLN  58          HB1       GLN  58  -1.035 -10.181 -11.050
  441   1HG   GLN  58          HG2       GLN  58  -3.188 -10.818 -10.248
  442   2HG   GLN  58          HG1       GLN  58  -3.950  -9.448 -11.053
  443   1HE2  GLN  58          HE21      GLN  58  -5.329 -10.713 -12.261
  444   2HE2  GLN  58          HE22      GLN  58  -4.788 -11.706 -13.567
  445    H    GLU  59           HN       GLU  59  -4.150  -7.963 -10.007
  446    HA   GLU  59           HA       GLU  59  -3.962  -5.381 -11.321
  447   1HB   GLU  59          HB2       GLU  59  -6.032  -7.399 -10.904
  448   2HB   GLU  59          HB1       GLU  59  -6.621  -5.764 -10.630
  449   1HG   GLU  59          HG2       GLU  59  -5.091  -6.486 -13.101
  450   2HG   GLU  59          HG1       GLU  59  -6.830  -6.742 -12.977
  451    H    MET  60           HN       MET  60  -4.549  -6.725  -8.167
  452    HA   MET  60           HA       MET  60  -5.539  -4.280  -7.030
  453   1HB   MET  60          HB2       MET  60  -5.965  -6.708  -6.228
  454   2HB   MET  60          HB1       MET  60  -4.407  -6.554  -5.429
  455   1HG   MET  60          HG2       MET  60  -5.767  -5.900  -3.738
  456   2HG   MET  60          HG1       MET  60  -5.483  -4.337  -4.505
  457   1HE   MET  60          HE1       MET  60  -8.223  -3.286  -3.427
  458   2HE   MET  60          HE2       MET  60  -8.651  -2.935  -5.101
  459   3HE   MET  60          HE3       MET  60  -6.964  -2.864  -4.589
  460    H    MET  61           HN       MET  61  -2.411  -5.840  -7.389
  461    HA   MET  61           HA       MET  61  -0.976  -4.430  -5.446
  462   1HB   MET  61          HB2       MET  61   0.200  -6.172  -6.461
  463   2HB   MET  61          HB1       MET  61  -0.202  -5.635  -8.085
  464   1HG   MET  61          HG2       MET  61   1.356  -3.641  -6.714
  465   2HG   MET  61          HG1       MET  61   2.165  -5.204  -6.670
  466   1HE   MET  61          HE1       MET  61   2.185  -2.269  -9.990
  467   2HE   MET  61          HE2       MET  61   3.005  -2.276  -8.428
  468   3HE   MET  61          HE3       MET  61   1.249  -2.139  -8.501
  469    H    LYS  62           HN       LYS  62  -1.908  -3.505  -8.718
  470    HA   LYS  62           HA       LYS  62  -0.423  -1.083  -8.775
  471   1HB   LYS  62          HB2       LYS  62  -2.726  -2.150 -10.388
  472   2HB   LYS  62          HB1       LYS  62  -2.108  -0.523 -10.643
  473   1HG   LYS  62          HG2       LYS  62   0.000  -2.521 -10.610
  474   2HG   LYS  62          HG1       LYS  62  -1.208  -2.822 -11.859
  475   1HD   LYS  62          HD2       LYS  62  -0.223  -0.040 -11.553
  476   2HD   LYS  62          HD1       LYS  62   0.886  -1.222 -12.251
  477   1HE   LYS  62          HE2       LYS  62  -0.432  -0.032 -13.961
  478   2HE   LYS  62          HE1       LYS  62  -0.720  -1.771 -13.970
  479   1HZ   LYS  62          HZ1       LYS  62  -2.784  -0.543 -14.177
  480   2HZ   LYS  62          HZ2       LYS  62  -2.481   0.273 -12.727
  481   3HZ   LYS  62          HZ3       LYS  62  -2.757  -1.395 -12.715
  482    H    GLU  63           HN       GLU  63  -3.186  -1.981  -7.063
  483    HA   GLU  63           HA       GLU  63  -4.422   0.631  -7.046
  484   1HB   GLU  63          HB2       GLU  63  -5.787  -1.415  -6.925
  485   2HB   GLU  63          HB1       GLU  63  -5.031  -1.823  -5.393
  486   1HG   GLU  63          HG2       GLU  63  -6.976  -0.873  -4.675
  487   2HG   GLU  63          HG1       GLU  63  -5.904   0.528  -4.669
  488    H    PHE  64           HN       PHE  64  -2.132  -1.146  -5.113
  489    HA   PHE  64           HA       PHE  64  -2.416   0.665  -2.863
  490   1HB   PHE  64          HB2       PHE  64  -0.965  -0.761  -1.670
  491   2HB   PHE  64          HB1       PHE  64  -1.928  -1.845  -2.665
  492    HD1  PHE  64           HD1      PHE  64  -0.864  -3.522  -3.764
  493    HD2  PHE  64           HD2      PHE  64   1.330  -0.004  -2.809
  494    HE1  PHE  64           HE1      PHE  64   1.182  -4.562  -4.646
  495    HE2  PHE  64           HE2      PHE  64   3.378  -1.037  -3.694
  496    HZ   PHE  64           HZ       PHE  64   3.306  -3.319  -4.614
  497    H    GLN  65           HN       GLN  65  -0.360   0.227  -5.631
  498    HA   GLN  65           HA       GLN  65   1.667   2.045  -4.663
  499   1HB   GLN  65          HB2       GLN  65   2.749   1.708  -6.792
  500   2HB   GLN  65          HB1       GLN  65   2.211   0.151  -6.177
  501   1HG   GLN  65          HG2       GLN  65   1.207  -0.207  -8.110
  502   2HG   GLN  65          HG1       GLN  65   0.102   1.116  -7.742
  503   1HE2  GLN  65          HE21      GLN  65   0.562   3.193  -8.569
  504   2HE2  GLN  65          HE22      GLN  65   1.585   3.401  -9.945
  505    H    GLN  66           HN       GLN  66  -1.195   2.173  -6.653
  506    HA   GLN  66           HA       GLN  66  -0.759   4.581  -7.998
  507   1HB   GLN  66          HB2       GLN  66  -2.619   2.979  -8.447
  508   2HB   GLN  66          HB1       GLN  66  -3.405   3.537  -6.977
  509   1HG   GLN  66          HG2       GLN  66  -4.359   5.179  -8.097
  510   2HG   GLN  66          HG1       GLN  66  -2.775   5.813  -8.541
  511   1HE2  GLN  66          HE21      GLN  66  -4.387   2.802  -9.459
  512   2HE2  GLN  66          HE22      GLN  66  -4.377   3.108 -11.160
  513    H    VAL  67           HN       VAL  67  -1.718   3.929  -4.710
  514    HA   VAL  67           HA       VAL  67  -2.789   6.402  -3.980
  515    HB   VAL  67           HB       VAL  67  -1.298   4.290  -2.429
  516   1HG1  VAL  67          HG11      VAL  67  -2.590   5.813  -0.528
  517   2HG1  VAL  67          HG12      VAL  67  -1.863   7.020  -1.588
  518   3HG1  VAL  67          HG13      VAL  67  -0.854   5.788  -0.838
  519   1HG2  VAL  67          HG21      VAL  67  -3.973   4.642  -3.292
  520   2HG2  VAL  67          HG22      VAL  67  -3.952   4.779  -1.534
  521   3HG2  VAL  67          HG23      VAL  67  -3.294   3.341  -2.315
  522    H    LEU  68           HN       LEU  68   0.548   5.252  -3.459
  523    HA   LEU  68           HA       LEU  68   1.625   7.750  -2.680
  524   1HB   LEU  68          HB2       LEU  68   2.811   5.207  -3.759
  525   2HB   LEU  68          HB1       LEU  68   3.810   6.609  -3.414
  526    HG   LEU  68           HG       LEU  68   2.325   6.341  -1.101
  527   1HD1  LEU  68          HD11      LEU  68   3.302   3.642  -1.124
  528   2HD1  LEU  68          HD12      LEU  68   2.129   3.858  -2.423
  529   3HD1  LEU  68          HD13      LEU  68   1.680   4.233  -0.758
  530   1HD2  LEU  68          HD21      LEU  68   5.078   5.344  -1.828
  531   2HD2  LEU  68          HD22      LEU  68   4.466   5.406  -0.174
  532   3HD2  LEU  68          HD23      LEU  68   4.642   6.893  -1.106
  533    H    ASP  69           HN       ASP  69   0.547   6.647  -5.722
  534    HA   ASP  69           HA       ASP  69   2.316   8.086  -7.415
  535   1HB   ASP  69          HB2       ASP  69   0.355   6.264  -7.869
  536   2HB   ASP  69          HB1       ASP  69  -0.498   7.746  -8.286
  537    H    GLU  70           HN       GLU  70  -0.939   8.774  -6.150
  538    HA   GLU  70           HA       GLU  70  -1.197  11.401  -7.118
  539   1HB   GLU  70          HB2       GLU  70  -2.893   9.800  -5.844
  540   2HB   GLU  70          HB1       GLU  70  -2.286  10.645  -4.423
  541   1HG   GLU  70          HG2       GLU  70  -3.877  12.129  -4.823
  542   2HG   GLU  70          HG1       GLU  70  -2.846  12.701  -6.136
  543    H    LEU  71           HN       LEU  71   0.356   9.993  -4.369
  544    HA   LEU  71           HA       LEU  71   0.859  12.269  -2.824
  545   1HB   LEU  71          HB2       LEU  71   1.015   9.876  -2.128
  546   2HB   LEU  71          HB1       LEU  71   2.509   9.761  -3.035
  547    HG   LEU  71           HG       LEU  71   2.862  11.960  -1.380
  548   1HD1  LEU  71          HD11      LEU  71   2.263   9.924   0.578
  549   2HD1  LEU  71          HD12      LEU  71   0.824  10.483  -0.271
  550   3HD1  LEU  71          HD13      LEU  71   1.854  11.638   0.573
  551   1HD2  LEU  71          HD21      LEU  71   4.297  10.170  -0.120
  552   2HD2  LEU  71          HD22      LEU  71   4.712  10.683  -1.755
  553   3HD2  LEU  71          HD23      LEU  71   3.854   9.165  -1.501
  554    H    ASN  72           HN       ASN  72   3.229  10.428  -4.736
  555    HA   ASN  72           HA       ASN  72   5.317  12.206  -4.632
  556   1HB   ASN  72          HB2       ASN  72   5.283   9.860  -5.615
  557   2HB   ASN  72          HB1       ASN  72   4.680  10.593  -7.098
  558   1HD2  ASN  72          HD21      ASN  72   6.090  11.435  -8.486
  559   2HD2  ASN  72          HD22      ASN  72   7.779  11.639  -8.189
  560    H    ASN  73           HN       ASN  73   2.399  12.495  -6.466
  561    HA   ASN  73           HA       ASN  73   3.474  14.491  -8.256
  562   1HB   ASN  73          HB2       ASN  73   0.888  13.068  -7.942
  563   2HB   ASN  73          HB1       ASN  73   0.836  14.660  -8.694
  564   1HD2  ASN  73          HD21      ASN  73   2.031  15.005 -10.617
  565   2HD2  ASN  73          HD22      ASN  73   2.445  13.683 -11.648
  566    H    HIS  74           HN       HIS  74   2.532  14.597  -5.055
  567    HA   HIS  74           HA       HIS  74   2.211  17.487  -5.219
  568   1HB   HIS  74          HB2       HIS  74   0.031  15.623  -4.387
  569   2HB   HIS  74          HB1       HIS  74   0.188  17.167  -3.557
  570    HD1  HIS  74           HD1      HIS  74   0.426  19.263  -5.456
  571    HD2  HIS  74           HD2      HIS  74  -1.636  15.808  -6.492
  572    HE1  HIS  74           HE1      HIS  74  -1.040  19.911  -7.392
  573    HE2  HIS  74           HE2      HIS  74  -2.218  17.786  -8.055
  574    H    LEU  75           HN       LEU  75   4.291  15.839  -4.161
  575    HA   LEU  75           HA       LEU  75   4.051  15.673  -1.331
  576   1HB   LEU  75          HB2       LEU  75   6.068  15.128  -3.300
  577   2HB   LEU  75          HB1       LEU  75   6.764  16.033  -1.964
  578    HG   LEU  75           HG       LEU  75   6.984  13.672  -1.528
  579   1HD1  LEU  75          HD11      LEU  75   6.250  13.675   0.651
  580   2HD1  LEU  75          HD12      LEU  75   4.724  14.459   0.243
  581   3HD1  LEU  75          HD13      LEU  75   6.218  15.399   0.277
  582   1HD2  LEU  75          HD21      LEU  75   4.661  12.518  -1.076
  583   2HD2  LEU  75          HD22      LEU  75   5.393  12.512  -2.680
  584   3HD2  LEU  75          HD23      LEU  75   4.121  13.670  -2.293
  585    H    GLN  76           HN       GLN  76   3.160  17.639  -0.765
  586    HA   GLN  76           HA       GLN  76   4.314  20.134  -1.387
  587   1HB   GLN  76          HB2       GLN  76   2.189  19.150   0.426
  588   2HB   GLN  76          HB1       GLN  76   2.915  20.694   0.854
  589   1HG   GLN  76          HG2       GLN  76   1.664  20.024  -1.801
  590   2HG   GLN  76          HG1       GLN  76   0.907  20.960  -0.511
  591   1HE2  GLN  76          HE21      GLN  76   3.282  20.941  -3.032
  592   2HE2  GLN  76          HE22      GLN  76   3.620  22.636  -3.012
  593    H    GLY  77           HN       GLY  77   6.572  19.223  -0.819
  594   1HA   GLY  77          HA2       GLY  77   8.447  19.495   0.481
  595   2HA   GLY  77          HA1       GLY  77   7.487  20.544   1.515
  596    H    GLY  78           HN       GLY  78   7.414  17.063   0.716
  597   1HA   GLY  78          HA2       GLY  78   8.001  16.403   3.486
  598   2HA   GLY  78          HA1       GLY  78   6.391  15.973   2.932
  599    H    LYS  79           HN       LYS  79   9.144  15.891   0.802
  600    HA   LYS  79           HA       LYS  79   8.769  13.442  -0.293
  601   1HB   LYS  79          HB2       LYS  79  11.329  14.915   0.279
  602   2HB   LYS  79          HB1       LYS  79  11.313  13.400  -0.613
  603   1HG   LYS  79          HG2       LYS  79   9.473  15.525  -1.536
  604   2HG   LYS  79          HG1       LYS  79  11.200  15.772  -1.804
  605   1HD   LYS  79          HD2       LYS  79  10.554  14.671  -3.735
  606   2HD   LYS  79          HD1       LYS  79  11.140  13.346  -2.728
  607   1HE   LYS  79          HE2       LYS  79   8.900  12.747  -2.112
  608   2HE   LYS  79          HE1       LYS  79   8.250  14.173  -2.921
  609   1HZ   LYS  79          HZ1       LYS  79   7.920  12.703  -4.574
  610   2HZ   LYS  79          HZ2       LYS  79   9.126  11.642  -4.045
  611   3HZ   LYS  79          HZ3       LYS  79   9.544  13.020  -4.932
  612    H    HIS  80           HN       HIS  80  10.065  14.073   2.869
  613    HA   HIS  80           HA       HIS  80  11.397  11.675   3.381
  614   1HB   HIS  80          HB2       HIS  80  11.128  12.180   5.730
  615   2HB   HIS  80          HB1       HIS  80  11.436  13.680   4.864
  616    HD1  HIS  80           HD1      HIS  80   8.877  11.924   6.900
  617    HD2  HIS  80           HD2      HIS  80   9.229  15.455   4.740
  618    HE1  HIS  80           HE1      HIS  80   6.915  13.334   7.595
  619    HE2  HIS  80           HE2      HIS  80   7.101  15.431   6.210
  620    H    THR  81           HN       THR  81   7.996  12.521   3.663
  621    HA   THR  81           HA       THR  81   7.031  10.173   4.872
  622    HB   THR  81           HB       THR  81   5.873  12.307   3.132
  623    HG1  THR  81           HG1      THR  81   5.582  11.425   5.783
  624   1HG2  THR  81          HG21      THR  81   4.466  10.740   2.272
  625   2HG2  THR  81          HG22      THR  81   3.610  11.169   3.751
  626   3HG2  THR  81          HG23      THR  81   4.578   9.690   3.691
  627    H    VAL  82           HN       VAL  82   7.238  11.040   1.421
  628    HA   VAL  82           HA       VAL  82   6.279   8.610   0.471
  629    HB   VAL  82           HB       VAL  82   8.385   9.771  -1.211
  630   1HG1  VAL  82          HG11      VAL  82   7.134   8.342  -2.437
  631   2HG1  VAL  82          HG12      VAL  82   6.102   9.754  -2.650
  632   3HG1  VAL  82          HG13      VAL  82   5.703   8.548  -1.424
  633   1HG2  VAL  82          HG21      VAL  82   6.885  11.679  -1.854
  634   2HG2  VAL  82          HG22      VAL  82   7.674  11.840  -0.287
  635   3HG2  VAL  82          HG23      VAL  82   5.976  11.372  -0.373
  636    H    HIS  83           HN       HIS  83   9.683   9.649   0.654
  637    HA   HIS  83           HA       HIS  83  10.936   7.347  -0.062
  638   1HB   HIS  83          HB2       HIS  83  12.034   9.503   0.654
  639   2HB   HIS  83          HB1       HIS  83  11.800   8.996   2.323
  640    HD1  HIS  83           HD1      HIS  83  13.206   6.930   3.134
  641    HD2  HIS  83           HD2      HIS  83  14.164   8.326  -0.661
  642    HE1  HIS  83           HE1      HIS  83  15.419   5.878   2.570
  643    HE2  HIS  83           HE2      HIS  83  16.020   6.806   0.306
  644    H    HIS  84           HN       HIS  84   9.454   8.058   3.063
  645    HA   HIS  84           HA       HIS  84  10.260   5.570   4.250
  646   1HB   HIS  84          HB2       HIS  84   9.545   7.885   5.344
  647   2HB   HIS  84          HB1       HIS  84   7.956   7.127   5.326
  648    HD1  HIS  84           HD1      HIS  84  11.282   5.478   6.115
  649    HD2  HIS  84           HD2      HIS  84   7.665   6.415   7.934
  650    HE1  HIS  84           HE1      HIS  84  11.373   4.403   8.386
  651    HE2  HIS  84           HE2      HIS  84   9.140   4.912   9.435
  652    H    ILE  85           HN       ILE  85   7.197   6.872   3.010
  653    HA   ILE  85           HA       ILE  85   5.767   4.436   3.405
  654    HB   ILE  85           HB       ILE  85   4.656   6.644   3.466
  655   1HG1  ILE  85          HG12      ILE  85   3.729   4.428   1.753
  656   2HG1  ILE  85          HG11      ILE  85   2.997   5.160   3.167
  657   1HG2  ILE  85          HG21      ILE  85   4.244   7.242   0.810
  658   2HG2  ILE  85          HG22      ILE  85   5.956   6.862   0.949
  659   3HG2  ILE  85          HG23      ILE  85   5.236   8.104   1.978
  660   1HD1  ILE  85          HD11      ILE  85   2.064   5.391   0.636
  661   2HD1  ILE  85          HD12      ILE  85   2.973   6.883   0.811
  662   3HD1  ILE  85          HD13      ILE  85   1.693   6.490   1.953
  663    H    GLU  86           HN       GLU  86   7.865   5.534   0.934
  664    HA   GLU  86           HA       GLU  86   6.703   3.743  -1.065
  665   1HB   GLU  86          HB2       GLU  86   8.343   4.671  -2.624
  666   2HB   GLU  86          HB1       GLU  86   7.414   5.947  -1.854
  667   1HG   GLU  86          HG2       GLU  86   9.270   6.929  -1.231
  668   2HG   GLU  86          HG1       GLU  86   9.730   5.510  -0.301
  669    H    GLN  87           HN       GLN  87   9.719   4.153   0.794
  670    HA   GLN  87           HA       GLN  87  11.000   1.853  -0.258
  671   1HB   GLN  87          HB2       GLN  87  11.363   3.589   2.131
  672   2HB   GLN  87          HB1       GLN  87  12.028   1.969   2.236
  673   1HG   GLN  87          HG2       GLN  87  13.560   3.832   1.429
  674   2HG   GLN  87          HG1       GLN  87  13.532   2.334   0.502
  675   1HE2  GLN  87          HE21      GLN  87  12.437   2.304  -1.504
  676   2HE2  GLN  87          HE22      GLN  87  12.155   3.761  -2.388
  677    H    ASN  88           HN       ASN  88   8.474   2.429   1.957
  678    HA   ASN  88           HA       ASN  88   8.502  -0.162   3.216
  679   1HB   ASN  88          HB2       ASN  88   6.911   2.351   3.397
  680   2HB   ASN  88          HB1       ASN  88   6.101   0.856   3.870
  681   1HD2  ASN  88          HD21      ASN  88   9.464   1.901   4.244
  682   2HD2  ASN  88          HD22      ASN  88   9.498   1.765   5.966
  683    H    ILE  89           HN       ILE  89   6.184   1.616   1.173
  684    HA   ILE  89           HA       ILE  89   4.604  -0.640   0.596
  685    HB   ILE  89           HB       ILE  89   4.548   2.144  -0.059
  686   1HG1  ILE  89          HG12      ILE  89   2.208   0.609  -0.776
  687   2HG1  ILE  89          HG11      ILE  89   2.878   0.095   0.769
  688   1HG2  ILE  89          HG21      ILE  89   5.209   1.598  -2.313
  689   2HG2  ILE  89          HG22      ILE  89   3.493   2.005  -2.292
  690   3HG2  ILE  89          HG23      ILE  89   3.998   0.318  -2.391
  691   1HD1  ILE  89          HD11      ILE  89   2.855   2.928   0.760
  692   2HD1  ILE  89          HD12      ILE  89   1.901   1.822   1.749
  693   3HD1  ILE  89          HD13      ILE  89   1.278   2.373   0.196
  694    H    LYS  90           HN       LYS  90   7.082   1.019  -1.347
  695    HA   LYS  90           HA       LYS  90   6.874  -0.666  -3.551
  696   1HB   LYS  90          HB2       LYS  90   8.238   1.545  -3.221
  697   2HB   LYS  90          HB1       LYS  90   9.530   0.463  -2.719
  698   1HG   LYS  90          HG2       LYS  90   9.919   0.841  -4.986
  699   2HG   LYS  90          HG1       LYS  90   9.150  -0.746  -4.929
  700   1HD   LYS  90          HD2       LYS  90   6.981   0.855  -5.166
  701   2HD   LYS  90          HD1       LYS  90   8.179   1.793  -6.062
  702   1HE   LYS  90          HE2       LYS  90   7.606   0.482  -7.788
  703   2HE   LYS  90          HE1       LYS  90   8.636  -0.717  -7.007
  704   1HZ   LYS  90          HZ1       LYS  90   6.801  -1.794  -6.084
  705   2HZ   LYS  90          HZ2       LYS  90   6.305  -1.430  -7.660
  706   3HZ   LYS  90          HZ3       LYS  90   5.759  -0.490  -6.363
  707    H    GLU  91           HN       GLU  91   8.346  -1.107  -0.462
  708    HA   GLU  91           HA       GLU  91   9.754  -3.518  -1.293
  709   1HB   GLU  91          HB2       GLU  91  10.817  -1.948   0.311
  710   2HB   GLU  91          HB1       GLU  91   9.515  -2.267   1.451
  711   1HG   GLU  91          HG2       GLU  91  10.277  -4.362   1.954
  712   2HG   GLU  91          HG1       GLU  91  11.073  -4.567   0.393
  713    H    ILE  92           HN       ILE  92   6.657  -2.702  -0.461
  714    HA   ILE  92           HA       ILE  92   6.007  -4.946   1.187
  715    HB   ILE  92           HB       ILE  92   4.671  -2.546   0.336
  716   1HG1  ILE  92          HG12      ILE  92   3.355  -2.983   2.360
  717   2HG1  ILE  92          HG11      ILE  92   4.009  -4.613   2.435
  718   1HG2  ILE  92          HG21      ILE  92   3.409  -3.953  -1.188
  719   2HG2  ILE  92          HG22      ILE  92   2.389  -3.418   0.147
  720   3HG2  ILE  92          HG23      ILE  92   3.030  -5.060   0.131
  721   1HD1  ILE  92          HD11      ILE  92   5.301  -2.020   3.064
  722   2HD1  ILE  92          HD12      ILE  92   6.301  -3.338   2.449
  723   3HD1  ILE  92          HD13      ILE  92   5.361  -3.557   3.927
  724    H    PHE  93           HN       PHE  93   5.457  -3.975  -2.178
  725    HA   PHE  93           HA       PHE  93   4.008  -6.112  -3.110
  726   1HB   PHE  93          HB2       PHE  93   4.504  -5.335  -5.202
  727   2HB   PHE  93          HB1       PHE  93   5.130  -3.964  -4.289
  728    HD1  PHE  93           HD1      PHE  93   5.862  -5.926  -6.960
  729    HD2  PHE  93           HD2      PHE  93   7.628  -4.607  -3.325
  730    HE1  PHE  93           HE1      PHE  93   8.097  -6.343  -7.897
  731    HE2  PHE  93           HE2      PHE  93   9.855  -5.025  -4.245
  732    HZ   PHE  93           HZ       PHE  93  10.105  -5.885  -6.544
  733    H    HIS  94           HN       HIS  94   7.359  -6.008  -2.164
  734    HA   HIS  94           HA       HIS  94   8.287  -8.325  -3.461
  735   1HB   HIS  94          HB2       HIS  94   9.725  -6.600  -2.335
  736   2HB   HIS  94          HB1       HIS  94   9.214  -7.260  -0.785
  737    HD1  HIS  94           HD1      HIS  94  10.729  -8.975   0.148
  738    HD2  HIS  94           HD2      HIS  94  11.036  -8.730  -3.988
  739    HE1  HIS  94           HE1      HIS  94  12.560 -10.579  -0.485
  740    HE2  HIS  94           HE2      HIS  94  12.778 -10.357  -2.986
  741    H    HIS  95           HN       HIS  95   7.421  -7.942  -0.028
  742    HA   HIS  95           HA       HIS  95   7.245 -10.727   0.448
  743   1HB   HIS  95          HB2       HIS  95   6.353  -8.281   1.946
  744   2HB   HIS  95          HB1       HIS  95   5.874  -9.882   2.498
  745    HD1  HIS  95           HD1      HIS  95   8.465 -11.434   2.090
  746    HD2  HIS  95           HD2      HIS  95   8.305  -7.612   3.711
  747    HE1  HIS  95           HE1      HIS  95  10.570 -11.190   3.445
  748    HE2  HIS  95           HE2      HIS  95  10.403  -8.906   4.495
  749    H    LEU  96           HN       LEU  96   5.250  -8.652  -1.298
  750    HA   LEU  96           HA       LEU  96   2.779 -10.069  -0.666
  751   1HB   LEU  96          HB2       LEU  96   3.442  -7.792  -2.521
  752   2HB   LEU  96          HB1       LEU  96   1.854  -8.539  -2.474
  753    HG   LEU  96           HG       LEU  96   3.235  -6.960  -0.337
  754   1HD1  LEU  96          HD11      LEU  96   2.072  -5.573  -1.863
  755   2HD1  LEU  96          HD12      LEU  96   1.031  -5.716  -0.446
  756   3HD1  LEU  96          HD13      LEU  96   0.681  -6.656  -1.896
  757   1HD2  LEU  96          HD21      LEU  96   0.741  -8.628  -0.056
  758   2HD2  LEU  96          HD22      LEU  96   1.311  -7.442   1.124
  759   3HD2  LEU  96          HD23      LEU  96   2.277  -8.878   0.775
  760    H    GLU  97           HN       GLU  97   4.625  -9.353  -3.624
  761    HA   GLU  97           HA       GLU  97   3.350 -11.400  -5.131
  762   1HB   GLU  97          HB2       GLU  97   5.983 -10.005  -5.661
  763   2HB   GLU  97          HB1       GLU  97   5.054 -10.936  -6.828
  764   1HG   GLU  97          HG2       GLU  97   3.238  -9.316  -6.685
  765   2HG   GLU  97          HG1       GLU  97   4.157  -8.388  -5.501
  766    H    GLU  98           HN       GLU  98   5.704 -11.439  -2.714
  767    HA   GLU  98           HA       GLU  98   7.078 -13.810  -3.689
  768   1HB   GLU  98          HB2       GLU  98   8.342 -12.130  -2.434
  769   2HB   GLU  98          HB1       GLU  98   7.283 -12.351  -1.049
  770   1HG   GLU  98          HG2       GLU  98   8.382 -14.872  -1.867
  771   2HG   GLU  98          HG1       GLU  98   9.668 -13.692  -1.618
  772    H    LEU  99           HN       LEU  99   4.373 -13.012  -1.719
  773    HA   LEU  99           HA       LEU  99   4.294 -15.444  -0.214
  774   1HB   LEU  99          HB2       LEU  99   3.239 -13.332   0.537
  775   2HB   LEU  99          HB1       LEU  99   2.089 -13.461  -0.780
  776    HG   LEU  99           HG       LEU  99   1.378 -15.682   0.230
  777   1HD1  LEU  99          HD11      LEU  99   3.086 -16.283   1.679
  778   2HD1  LEU  99          HD12      LEU  99   1.832 -15.687   2.767
  779   3HD1  LEU  99          HD13      LEU  99   3.210 -14.664   2.365
  780   1HD2  LEU  99          HD21      LEU  99   0.873 -12.964   1.272
  781   2HD2  LEU  99          HD22      LEU  99   0.302 -14.307   2.262
  782   3HD2  LEU  99          HD23      LEU  99  -0.244 -14.148   0.594
  783    H    VAL 100           HN       VAL 100   2.170 -14.172  -2.784
  784    HA   VAL 100           HA       VAL 100   0.774 -16.557  -3.222
  785    HB   VAL 100           HB       VAL 100   1.311 -14.441  -5.302
  786   1HG1  VAL 100          HG11      VAL 100  -1.226 -15.248  -5.693
  787   2HG1  VAL 100          HG12      VAL 100  -0.519 -16.742  -5.076
  788   3HG1  VAL 100          HG13      VAL 100   0.164 -15.968  -6.506
  789   1HG2  VAL 100          HG21      VAL 100  -0.891 -13.500  -4.442
  790   2HG2  VAL 100          HG22      VAL 100   0.533 -13.239  -3.434
  791   3HG2  VAL 100          HG23      VAL 100  -0.631 -14.496  -3.008
  792    H    HIS 101           HN       HIS 101   3.713 -15.302  -4.743
  793    HA   HIS 101           HA       HIS 101   3.954 -17.250  -6.748
  794   1HB   HIS 101          HB2       HIS 101   5.856 -15.382  -5.393
  795   2HB   HIS 101          HB1       HIS 101   6.504 -16.650  -6.427
  796    HD1  HIS 101           HD1      HIS 101   3.268 -15.201  -7.474
  797    HD2  HIS 101           HD2      HIS 101   7.309 -14.583  -8.225
  798    HE1  HIS 101           HE1      HIS 101   3.357 -13.748  -9.524
  799    HE2  HIS 101           HE2      HIS 101   5.812 -13.463 -10.012
  800    H    ARG 102           HN       ARG 102   4.760 -17.289  -3.353
  801    HA   ARG 102           HA       ARG 102   6.487 -19.518  -3.360
  802   1HB   ARG 102          HB2       ARG 102   5.569 -17.743  -1.464
  803   2HB   ARG 102          HB1       ARG 102   4.811 -19.251  -0.972
  804   1HG   ARG 102          HG2       ARG 102   7.165 -20.262  -1.202
  805   2HG   ARG 102          HG1       ARG 102   7.719 -18.587  -1.176
  806   1HD   ARG 102          HD2       ARG 102   7.391 -18.414   1.026
  807   2HD   ARG 102          HD1       ARG 102   5.788 -19.142   0.920
  808    HE   ARG 102           HE       ARG 102   6.713 -21.061   1.706
  809   1HH1  ARG 102          HH11      ARG 102   9.223 -19.238   0.109
  810   2HH1  ARG 102          HH12      ARG 102  10.468 -20.382   0.488
  811   1HH2  ARG 102          HH21      ARG 102   8.348 -22.565   2.207
  812   2HH2  ARG 102          HH22      ARG 102   9.971 -22.271   1.679
  Start of MODEL    7
    1   1H    MET   1           HT1      MET   1  -3.010 -22.345   2.522
    2   2H    MET   1           HT2      MET   1  -1.339 -22.255   2.904
    3   3H    MET   1           HT3      MET   1  -2.045 -21.097   1.851
    4    HA   MET   1           HA       MET   1  -3.465 -20.371   3.668
    5   1HB   MET   1          HB2       MET   1  -2.653 -22.759   4.785
    6   2HB   MET   1          HB1       MET   1  -1.716 -21.576   5.688
    7   1HG   MET   1          HG2       MET   1  -3.595 -20.572   6.579
    8   2HG   MET   1          HG1       MET   1  -4.652 -21.191   5.311
    9   1HE   MET   1          HE1       MET   1  -5.809 -24.244   5.897
   10   2HE   MET   1          HE2       MET   1  -4.186 -24.931   5.938
   11   3HE   MET   1          HE3       MET   1  -4.567 -23.637   4.802
   12    H    TYR   2           HN       TYR   2  -2.697 -18.370   3.339
   13    HA   TYR   2           HA       TYR   2  -0.192 -17.636   4.627
   14   1HB   TYR   2          HB2       TYR   2  -0.679 -17.523   1.685
   15   2HB   TYR   2          HB1       TYR   2   0.217 -16.200   2.425
   16    HD1  TYR   2           HD1      TYR   2   0.814 -18.868   0.545
   17    HD2  TYR   2           HD2      TYR   2   1.867 -17.462   4.419
   18    HE1  TYR   2           HE1      TYR   2   2.863 -20.224   0.473
   19    HE2  TYR   2           HE2      TYR   2   3.920 -18.814   4.358
   20    HH   TYR   2           HH       TYR   2   5.422 -19.787   2.244
   21    H    GLY   3           HN       GLY   3  -1.555 -16.543   6.100
   22   1HA   GLY   3          HA2       GLY   3  -2.888 -14.159   4.973
   23   2HA   GLY   3          HA1       GLY   3  -3.443 -14.995   6.413
   24    H    LYS   4           HN       LYS   4  -0.358 -15.215   7.001
   25    HA   LYS   4           HA       LYS   4  -0.323 -12.962   8.757
   26   1HB   LYS   4          HB2       LYS   4   0.765 -15.215   9.205
   27   2HB   LYS   4          HB1       LYS   4   2.020 -14.734   8.068
   28   1HG   LYS   4          HG2       LYS   4   3.023 -14.067   9.978
   29   2HG   LYS   4          HG1       LYS   4   2.092 -12.603   9.651
   30   1HD   LYS   4          HD2       LYS   4   0.989 -14.835  11.333
   31   2HD   LYS   4          HD1       LYS   4   2.007 -13.570  12.024
   32   1HE   LYS   4          HE2       LYS   4   0.232 -12.082  10.628
   33   2HE   LYS   4          HE1       LYS   4  -0.776 -13.459  11.068
   34   1HZ   LYS   4          HZ1       LYS   4  -0.434 -11.369  12.645
   35   2HZ   LYS   4          HZ2       LYS   4   0.860 -12.314  13.186
   36   3HZ   LYS   4          HZ3       LYS   4  -0.716 -12.926  13.246
   37    H    LEU   5           HN       LEU   5   0.694 -13.455   5.524
   38    HA   LEU   5           HA       LEU   5   2.814 -11.681   5.316
   39   1HB   LEU   5          HB2       LEU   5   1.450 -13.130   3.522
   40   2HB   LEU   5          HB1       LEU   5   0.725 -11.564   3.205
   41    HG   LEU   5           HG       LEU   5   2.511 -11.791   1.666
   42   1HD1  LEU   5          HD11      LEU   5   2.302  -9.620   2.942
   43   2HD1  LEU   5          HD12      LEU   5   3.856  -9.914   2.163
   44   3HD1  LEU   5          HD13      LEU   5   3.681 -10.157   3.902
   45   1HD2  LEU   5          HD21      LEU   5   4.669 -12.118   3.635
   46   2HD2  LEU   5          HD22      LEU   5   4.460 -12.851   2.046
   47   3HD2  LEU   5          HD23      LEU   5   3.615 -13.519   3.442
   48    H    ASN   6           HN       ASN   6  -0.508 -11.142   6.031
   49    HA   ASN   6           HA       ASN   6  -0.707  -8.444   5.313
   50   1HB   ASN   6          HB2       ASN   6  -2.690  -9.728   5.716
   51   2HB   ASN   6          HB1       ASN   6  -2.195 -10.032   7.377
   52   1HD2  ASN   6          HD21      ASN   6  -2.634  -7.247   5.220
   53   2HD2  ASN   6          HD22      ASN   6  -3.485  -6.276   6.367
   54    H    ASP   7           HN       ASP   7   0.452 -10.066   8.202
   55    HA   ASP   7           HA       ASP   7   0.570  -7.986  10.005
   56   1HB   ASP   7          HB2       ASP   7   1.458 -10.514  10.076
   57   2HB   ASP   7          HB1       ASP   7   2.996  -9.706   9.787
   58    H    LEU   8           HN       LEU   8   2.577  -8.672   7.236
   59    HA   LEU   8           HA       LEU   8   4.331  -6.411   7.737
   60   1HB   LEU   8          HB2       LEU   8   5.344  -8.422   6.854
   61   2HB   LEU   8          HB1       LEU   8   4.214  -8.451   5.515
   62    HG   LEU   8           HG       LEU   8   6.575  -7.668   5.009
   63   1HD1  LEU   8          HD11      LEU   8   5.751  -6.658   3.202
   64   2HD1  LEU   8          HD12      LEU   8   4.915  -5.430   4.152
   65   3HD1  LEU   8          HD13      LEU   8   4.168  -7.007   3.897
   66   1HD2  LEU   8          HD21      LEU   8   6.943  -5.225   5.450
   67   2HD2  LEU   8          HD22      LEU   8   7.040  -6.267   6.868
   68   3HD2  LEU   8          HD23      LEU   8   5.595  -5.298   6.584
   69    H    LEU   9           HN       LEU   9   1.548  -7.289   5.802
   70    HA   LEU   9           HA       LEU   9   1.790  -5.129   3.955
   71   1HB   LEU   9          HB2       LEU   9   0.257  -7.388   4.096
   72   2HB   LEU   9          HB1       LEU   9  -0.918  -6.143   4.474
   73    HG   LEU   9           HG       LEU   9   0.738  -6.397   1.966
   74   1HD1  LEU   9          HD11      LEU   9  -1.648  -6.298   1.004
   75   2HD1  LEU   9          HD12      LEU   9  -2.161  -6.708   2.642
   76   3HD1  LEU   9          HD13      LEU   9  -1.099  -7.799   1.749
   77   1HD2  LEU   9          HD21      LEU   9  -0.761  -4.083   3.088
   78   2HD2  LEU   9          HD22      LEU   9  -0.805  -4.363   1.347
   79   3HD2  LEU   9          HD23      LEU   9   0.739  -4.115   2.162
   80    H    GLU  10           HN       GLU  10   0.488  -5.479   7.154
   81    HA   GLU  10           HA       GLU  10  -1.306  -3.344   7.237
   82   1HB   GLU  10          HB2       GLU  10  -0.503  -5.212   9.019
   83   2HB   GLU  10          HB1       GLU  10   0.331  -3.802   9.657
   84   1HG   GLU  10          HG2       GLU  10  -1.891  -2.612   9.598
   85   2HG   GLU  10          HG1       GLU  10  -2.620  -4.182   9.265
   86    H    ASP  11           HN       ASP  11   2.182  -3.403   7.919
   87    HA   ASP  11           HA       ASP  11   2.613  -0.858   8.816
   88   1HB   ASP  11          HB2       ASP  11   4.328  -2.695   8.450
   89   2HB   ASP  11          HB1       ASP  11   4.403  -2.170   6.771
   90    H    LEU  12           HN       LEU  12   2.111  -1.880   5.489
   91    HA   LEU  12           HA       LEU  12   2.729   0.504   4.191
   92   1HB   LEU  12          HB2       LEU  12   2.421  -0.994   2.556
   93   2HB   LEU  12          HB1       LEU  12   1.383  -1.993   3.550
   94    HG   LEU  12           HG       LEU  12   0.134   0.464   2.461
   95   1HD1  LEU  12          HD11      LEU  12   0.539   0.124   0.322
   96   2HD1  LEU  12          HD12      LEU  12  -0.071  -1.525   0.445
   97   3HD1  LEU  12          HD13      LEU  12   1.635  -1.194   0.736
   98   1HD2  LEU  12          HD21      LEU  12  -0.673  -1.999   3.579
   99   2HD2  LEU  12          HD22      LEU  12  -1.242  -1.977   1.913
  100   3HD2  LEU  12          HD23      LEU  12  -1.688  -0.674   3.015
  101    H    GLN  13           HN       GLN  13  -0.522  -0.705   5.015
  102    HA   GLN  13           HA       GLN  13  -1.925   1.574   4.346
  103   1HB   GLN  13          HB2       GLN  13  -2.942  -0.613   4.968
  104   2HB   GLN  13          HB1       GLN  13  -2.566  -0.280   6.653
  105   1HG   GLN  13          HG2       GLN  13  -3.963   1.960   5.688
  106   2HG   GLN  13          HG1       GLN  13  -4.823   0.536   5.106
  107   1HE2  GLN  13          HE21      GLN  13  -5.444   2.588   7.186
  108   2HE2  GLN  13          HE22      GLN  13  -5.815   1.679   8.607
  109    H    GLU  14           HN       GLU  14  -0.120   0.862   7.269
  110    HA   GLU  14           HA       GLU  14  -1.032   3.204   8.673
  111   1HB   GLU  14          HB2       GLU  14   0.467   0.855   9.306
  112   2HB   GLU  14          HB1       GLU  14   1.435   2.256   9.744
  113   1HG   GLU  14          HG2       GLU  14   0.042   2.874  11.409
  114   2HG   GLU  14          HG1       GLU  14  -1.398   2.312  10.563
  115    H    VAL  15           HN       VAL  15   1.569   2.353   6.528
  116    HA   VAL  15           HA       VAL  15   3.253   4.550   7.080
  117    HB   VAL  15           HB       VAL  15   3.631   2.350   5.638
  118   1HG1  VAL  15          HG11      VAL  15   2.593   2.450   3.655
  119   2HG1  VAL  15          HG12      VAL  15   3.938   3.485   3.199
  120   3HG1  VAL  15          HG13      VAL  15   2.416   4.200   3.706
  121   1HG2  VAL  15          HG21      VAL  15   5.036   4.896   4.887
  122   2HG2  VAL  15          HG22      VAL  15   5.685   3.251   4.934
  123   3HG2  VAL  15          HG23      VAL  15   5.264   4.075   6.434
  124    H    LEU  16           HN       LEU  16   0.462   4.082   5.030
  125    HA   LEU  16           HA       LEU  16   0.639   6.366   3.450
  126   1HB   LEU  16          HB2       LEU  16  -1.657   4.728   4.454
  127   2HB   LEU  16          HB1       LEU  16  -1.960   6.200   3.552
  128    HG   LEU  16           HG       LEU  16  -2.079   4.377   2.019
  129   1HD1  LEU  16          HD11      LEU  16  -0.379   4.951   0.410
  130   2HD1  LEU  16          HD12      LEU  16   0.612   5.686   1.670
  131   3HD1  LEU  16          HD13      LEU  16  -0.935   6.409   1.229
  132   1HD2  LEU  16          HD21      LEU  16  -0.266   2.792   1.690
  133   2HD2  LEU  16          HD22      LEU  16  -0.848   2.738   3.352
  134   3HD2  LEU  16          HD23      LEU  16   0.661   3.565   2.975
  135    H    LYS  17           HN       LYS  17  -0.513   5.914   6.741
  136    HA   LYS  17           HA       LYS  17  -1.855   8.208   7.317
  137   1HB   LYS  17          HB2       LYS  17  -1.327   6.398   8.944
  138   2HB   LYS  17          HB1       LYS  17   0.313   7.021   9.060
  139   1HG   LYS  17          HG2       LYS  17  -1.226   9.241   9.570
  140   2HG   LYS  17          HG1       LYS  17  -2.131   7.937  10.341
  141   1HD   LYS  17          HD2       LYS  17  -0.735   8.211  12.069
  142   2HD   LYS  17          HD1       LYS  17   0.462   7.387  11.068
  143   1HE   LYS  17          HE2       LYS  17   1.720   9.214  11.142
  144   2HE   LYS  17          HE1       LYS  17   0.469  10.074  10.247
  145   1HZ   LYS  17          HZ1       LYS  17  -0.498  10.116  12.756
  146   2HZ   LYS  17          HZ2       LYS  17   0.403  11.365  12.056
  147   3HZ   LYS  17          HZ3       LYS  17   1.167  10.225  13.043
  148    H    ASN  18           HN       ASN  18   1.653   7.818   7.126
  149    HA   ASN  18           HA       ASN  18   2.294  10.524   7.751
  150   1HB   ASN  18          HB2       ASN  18   3.807   8.312   6.348
  151   2HB   ASN  18          HB1       ASN  18   4.495   9.917   6.573
  152   1HD2  ASN  18          HD21      ASN  18   3.774   6.908   8.017
  153   2HD2  ASN  18          HD22      ASN  18   4.416   7.245   9.584
  154    H    LEU  19           HN       LEU  19   1.873   8.710   4.776
  155    HA   LEU  19           HA       LEU  19   2.546  10.604   2.890
  156   1HB   LEU  19          HB2       LEU  19   2.128   8.740   1.737
  157   2HB   LEU  19          HB1       LEU  19   1.124   8.101   3.014
  158    HG   LEU  19           HG       LEU  19  -0.070  10.126   1.182
  159   1HD1  LEU  19          HD11      LEU  19  -0.757   7.896  -0.106
  160   2HD1  LEU  19          HD12      LEU  19   0.860   7.425   0.412
  161   3HD1  LEU  19          HD13      LEU  19   0.635   8.867  -0.569
  162   1HD2  LEU  19          HD21      LEU  19  -1.975   8.426   1.504
  163   2HD2  LEU  19          HD22      LEU  19  -1.540   9.481   2.846
  164   3HD2  LEU  19          HD23      LEU  19  -0.989   7.806   2.824
  165    H    HIS  20           HN       HIS  20  -0.437  10.262   4.718
  166    HA   HIS  20           HA       HIS  20  -2.123  11.939   3.287
  167   1HB   HIS  20          HB2       HIS  20  -1.916  11.261   6.205
  168   2HB   HIS  20          HB1       HIS  20  -3.104  12.428   5.645
  169    HD1  HIS  20           HD1      HIS  20  -5.257  11.515   4.824
  170    HD2  HIS  20           HD2      HIS  20  -2.310   8.603   5.038
  171    HE1  HIS  20           HE1      HIS  20  -6.430   9.338   4.379
  172    HE2  HIS  20           HE2      HIS  20  -4.636   7.581   4.572
  173    H    LYS  21           HN       LYS  21   0.483  12.748   5.474
  174    HA   LYS  21           HA       LYS  21  -0.258  15.565   5.480
  175   1HB   LYS  21          HB2       LYS  21   2.130  14.319   6.819
  176   2HB   LYS  21          HB1       LYS  21   1.335  15.840   7.211
  177   1HG   LYS  21          HG2       LYS  21   0.118  13.108   7.526
  178   2HG   LYS  21          HG1       LYS  21   0.832  14.068   8.824
  179   1HD   LYS  21          HD2       LYS  21  -1.385  14.625   9.073
  180   2HD   LYS  21          HD1       LYS  21  -0.858  15.894   7.967
  181   1HE   LYS  21          HE2       LYS  21  -1.988  14.998   6.180
  182   2HE   LYS  21          HE1       LYS  21  -1.866  13.355   6.804
  183   1HZ   LYS  21          HZ1       LYS  21  -4.138  14.430   6.838
  184   2HZ   LYS  21          HZ2       LYS  21  -3.567  15.392   8.106
  185   3HZ   LYS  21          HZ3       LYS  21  -3.624  13.710   8.281
  186    H    ASN  22           HN       ASN  22   1.561  13.622   3.463
  187    HA   ASN  22           HA       ASN  22   3.178  15.951   2.675
  188   1HB   ASN  22          HB2       ASN  22   4.022  13.076   2.900
  189   2HB   ASN  22          HB1       ASN  22   4.912  14.235   1.918
  190   1HD2  ASN  22          HD21      ASN  22   3.529  13.943   5.172
  191   2HD2  ASN  22          HD22      ASN  22   4.856  14.691   5.987
  192    H    TRP  23           HN       TRP  23   0.942  13.575   1.668
  193    HA   TRP  23           HA       TRP  23   1.704  13.277  -1.012
  194   1HB   TRP  23          HB2       TRP  23  -0.135  11.997  -1.175
  195   2HB   TRP  23          HB1       TRP  23  -0.301  12.255   0.551
  196    HD1  TRP  23           HD1      TRP  23  -2.587  13.047   1.248
  197    HE1  TRP  23           HE1      TRP  23  -4.559  14.252   0.156
  198    HE3  TRP  23           HE3      TRP  23  -0.520  13.816  -3.305
  199    HZ2  TRP  23           HZ2      TRP  23  -5.164  15.370  -2.409
  200    HZ3  TRP  23           HZ3      TRP  23  -1.826  14.926  -5.032
  201    HH2  TRP  23           HH2      TRP  23  -4.112  15.699  -4.607
  202    H    HIS  24           HN       HIS  24  -0.191  15.768   0.597
  203    HA   HIS  24           HA       HIS  24   0.468  17.723  -1.306
  204   1HB   HIS  24          HB2       HIS  24  -1.064  16.532  -2.777
  205   2HB   HIS  24          HB1       HIS  24  -2.334  16.614  -1.560
  206    HD1  HIS  24           HD1      HIS  24  -0.771  18.522  -4.299
  207    HD2  HIS  24           HD2      HIS  24  -3.428  19.239  -1.187
  208    HE1  HIS  24           HE1      HIS  24  -1.856  20.727  -4.836
  209    HE2  HIS  24           HE2      HIS  24  -3.522  21.097  -2.983
  210    H    GLY  25           HN       GLY  25  -2.144  16.727   0.896
  211   1HA   GLY  25          HA2       GLY  25  -1.860  18.196   3.035
  212   2HA   GLY  25          HA1       GLY  25  -2.275  19.477   1.909
  213    H    GLY  26           HN       GLY  26  -3.519  17.763   4.291
  214   1HA   GLY  26          HA2       GLY  26  -5.753  17.781   4.979
  215   2HA   GLY  26          HA1       GLY  26  -6.233  18.150   3.328
  216    H    LYS  27           HN       LYS  27  -5.747  15.696   5.671
  217    HA   LYS  27           HA       LYS  27  -5.502  13.395   4.179
  218   1HB   LYS  27          HB2       LYS  27  -5.418  12.955   6.425
  219   2HB   LYS  27          HB1       LYS  27  -6.740  14.050   6.804
  220   1HG   LYS  27          HG2       LYS  27  -8.355  12.435   6.008
  221   2HG   LYS  27          HG1       LYS  27  -7.058  11.349   5.505
  222   1HD   LYS  27          HD2       LYS  27  -7.632  12.232   8.333
  223   2HD   LYS  27          HD1       LYS  27  -8.018  10.655   7.643
  224   1HE   LYS  27          HE2       LYS  27  -6.036  10.058   8.525
  225   2HE   LYS  27          HE1       LYS  27  -5.380  10.817   7.075
  226   1HZ   LYS  27          HZ1       LYS  27  -5.459  12.937   8.558
  227   2HZ   LYS  27          HZ2       LYS  27  -4.178  11.842   8.711
  228   3HZ   LYS  27          HZ3       LYS  27  -5.444  11.824   9.832
  229    H    ASP  28           HN       ASP  28  -8.225  15.527   4.442
  230    HA   ASP  28           HA       ASP  28 -10.319  13.861   3.689
  231   1HB   ASP  28          HB2       ASP  28  -9.771  16.762   3.576
  232   2HB   ASP  28          HB1       ASP  28 -10.990  16.183   2.444
  233    H    ASN  29           HN       ASN  29  -7.718  15.234   1.810
  234    HA   ASN  29           HA       ASN  29  -8.925  14.467  -0.717
  235   1HB   ASN  29          HB2       ASN  29  -7.148  16.437  -0.015
  236   2HB   ASN  29          HB1       ASN  29  -6.086  15.227  -0.727
  237   1HD2  ASN  29          HD21      ASN  29  -8.173  17.772  -1.326
  238   2HD2  ASN  29          HD22      ASN  29  -8.335  17.579  -3.035
  239    H    LEU  30           HN       LEU  30  -6.425  13.375   1.487
  240    HA   LEU  30           HA       LEU  30  -5.350  11.364  -0.231
  241   1HB   LEU  30          HB2       LEU  30  -4.266  12.463   1.811
  242   2HB   LEU  30          HB1       LEU  30  -5.254  11.398   2.776
  243    HG   LEU  30           HG       LEU  30  -3.014  10.517   2.592
  244   1HD1  LEU  30          HD11      LEU  30  -5.278   9.094   2.209
  245   2HD1  LEU  30          HD12      LEU  30  -3.677   8.403   2.447
  246   3HD1  LEU  30          HD13      LEU  30  -4.315   8.606   0.818
  247   1HD2  LEU  30          HD21      LEU  30  -2.565   9.582   0.098
  248   2HD2  LEU  30          HD22      LEU  30  -1.910  11.095   0.722
  249   3HD2  LEU  30          HD23      LEU  30  -3.371  11.111  -0.264
  250    H    HIS  31           HN       HIS  31  -7.933  11.536   2.122
  251    HA   HIS  31           HA       HIS  31  -8.423   8.887   2.677
  252   1HB   HIS  31          HB2       HIS  31  -9.854  11.356   2.879
  253   2HB   HIS  31          HB1       HIS  31 -10.950  10.128   2.259
  254    HD1  HIS  31           HD1      HIS  31  -8.321   8.958   4.592
  255    HD2  HIS  31           HD2      HIS  31 -12.276  10.214   4.776
  256    HE1  HIS  31           HE1      HIS  31  -9.138   8.271   6.867
  257    HE2  HIS  31           HE2      HIS  31 -11.502   9.131   6.993
  258    H    ASP  32           HN       ASP  32  -9.228  10.706  -0.221
  259    HA   ASP  32           HA       ASP  32 -10.803   8.609  -1.374
  260   1HB   ASP  32          HB2       ASP  32 -10.111  11.343  -2.023
  261   2HB   ASP  32          HB1       ASP  32  -9.977  10.307  -3.441
  262    H    VAL  33           HN       VAL  33  -7.438   9.429  -1.346
  263    HA   VAL  33           HA       VAL  33  -6.867   7.689  -3.602
  264    HB   VAL  33           HB       VAL  33  -5.699   9.911  -3.105
  265   1HG1  VAL  33          HG11      VAL  33  -3.632   9.720  -1.776
  266   2HG1  VAL  33          HG12      VAL  33  -4.166   8.135  -1.222
  267   3HG1  VAL  33          HG13      VAL  33  -5.092   9.574  -0.806
  268   1HG2  VAL  33          HG21      VAL  33  -4.715   7.450  -4.238
  269   2HG2  VAL  33          HG22      VAL  33  -3.403   8.481  -3.663
  270   3HG2  VAL  33          HG23      VAL  33  -4.570   9.105  -4.828
  271    H    ASP  34           HN       ASP  34  -6.076   7.818  -0.115
  272    HA   ASP  34           HA       ASP  34  -4.782   5.283  -0.147
  273   1HB   ASP  34          HB2       ASP  34  -4.115   6.597   1.660
  274   2HB   ASP  34          HB1       ASP  34  -5.766   7.093   2.036
  275    H    ASN  35           HN       ASN  35  -8.090   6.300  -0.005
  276    HA   ASN  35           HA       ASN  35  -9.294   4.123   1.255
  277   1HB   ASN  35          HB2       ASN  35 -10.135   6.205  -0.630
  278   2HB   ASN  35          HB1       ASN  35 -11.019   4.697  -0.834
  279   1HD2  ASN  35          HD21      ASN  35 -12.941   5.206   0.012
  280   2HD2  ASN  35          HD22      ASN  35 -13.195   5.726   1.640
  281    H    HIS  36           HN       HIS  36  -7.997   4.540  -1.953
  282    HA   HIS  36           HA       HIS  36  -8.915   2.146  -3.124
  283   1HB   HIS  36          HB2       HIS  36  -7.115   4.315  -3.787
  284   2HB   HIS  36          HB1       HIS  36  -6.373   2.772  -4.209
  285    HD1  HIS  36           HD1      HIS  36  -6.748   2.380  -6.617
  286    HD2  HIS  36           HD2      HIS  36 -10.088   4.048  -4.793
  287    HE1  HIS  36           HE1      HIS  36  -8.499   2.514  -8.417
  288    HE2  HIS  36           HE2      HIS  36 -10.539   3.447  -7.268
  289    H    LEU  37           HN       LEU  37  -6.241   2.969  -1.065
  290    HA   LEU  37           HA       LEU  37  -4.848   0.486  -1.308
  291   1HB   LEU  37          HB2       LEU  37  -3.974   2.797  -0.563
  292   2HB   LEU  37          HB1       LEU  37  -4.657   2.401   0.998
  293    HG   LEU  37           HG       LEU  37  -2.660   1.552   1.476
  294   1HD1  LEU  37          HD11      LEU  37  -3.853  -0.531   1.242
  295   2HD1  LEU  37          HD12      LEU  37  -2.188  -0.739   0.702
  296   3HD1  LEU  37          HD13      LEU  37  -3.483  -0.585  -0.482
  297   1HD2  LEU  37          HD21      LEU  37  -1.077   0.865  -0.487
  298   2HD2  LEU  37          HD22      LEU  37  -1.369   2.566  -0.125
  299   3HD2  LEU  37          HD23      LEU  37  -2.224   1.788  -1.459
  300    H    GLN  38           HN       GLN  38  -6.505   1.974   1.461
  301    HA   GLN  38           HA       GLN  38  -6.635  -0.155   3.158
  302   1HB   GLN  38          HB2       GLN  38  -7.626   2.347   3.224
  303   2HB   GLN  38          HB1       GLN  38  -9.120   1.452   2.982
  304   1HG   GLN  38          HG2       GLN  38  -8.479   0.044   4.957
  305   2HG   GLN  38          HG1       GLN  38  -7.163   1.181   5.245
  306   1HE2  GLN  38          HE21      GLN  38  -8.183   3.581   4.875
  307   2HE2  GLN  38          HE22      GLN  38  -9.514   3.887   5.934
  308    H    ASN  39           HN       ASN  39  -8.601   0.378   0.289
  309    HA   ASN  39           HA       ASN  39 -10.484  -1.701   0.915
  310   1HB   ASN  39          HB2       ASN  39 -10.111   0.266  -1.190
  311   2HB   ASN  39          HB1       ASN  39 -10.536  -1.306  -1.857
  312   1HD2  ASN  39          HD21      ASN  39 -11.572   1.354   0.100
  313   2HD2  ASN  39          HD22      ASN  39 -13.237   0.901   0.200
  314    H    VAL  40           HN       VAL  40  -7.403  -1.496  -0.667
  315    HA   VAL  40           HA       VAL  40  -7.550  -4.014  -2.005
  316    HB   VAL  40           HB       VAL  40  -5.219  -2.228  -1.301
  317   1HG1  VAL  40          HG11      VAL  40  -4.097  -3.716  -3.134
  318   2HG1  VAL  40          HG12      VAL  40  -5.275  -4.914  -2.598
  319   3HG1  VAL  40          HG13      VAL  40  -4.116  -4.245  -1.451
  320   1HG2  VAL  40          HG21      VAL  40  -5.399  -1.344  -3.394
  321   2HG2  VAL  40          HG22      VAL  40  -7.094  -1.744  -3.106
  322   3HG2  VAL  40          HG23      VAL  40  -6.088  -2.818  -4.075
  323    H    ILE  41           HN       ILE  41  -6.051  -2.883   1.017
  324    HA   ILE  41           HA       ILE  41  -4.722  -5.110   1.846
  325    HB   ILE  41           HB       ILE  41  -5.026  -2.853   3.047
  326   1HG1  ILE  41          HG12      ILE  41  -4.727  -4.154   5.338
  327   2HG1  ILE  41          HG11      ILE  41  -4.649  -5.550   4.267
  328   1HG2  ILE  41          HG21      ILE  41  -6.741  -2.494   4.493
  329   2HG2  ILE  41          HG22      ILE  41  -6.983  -4.211   4.809
  330   3HG2  ILE  41          HG23      ILE  41  -7.584  -3.497   3.315
  331   1HD1  ILE  41          HD11      ILE  41  -2.462  -4.432   4.928
  332   2HD1  ILE  41          HD12      ILE  41  -2.933  -3.135   3.829
  333   3HD1  ILE  41          HD13      ILE  41  -2.715  -4.775   3.217
  334    H    GLU  42           HN       GLU  42  -8.196  -4.608   1.860
  335    HA   GLU  42           HA       GLU  42  -8.767  -6.987   3.361
  336   1HB   GLU  42          HB2       GLU  42 -10.713  -5.548   1.568
  337   2HB   GLU  42          HB1       GLU  42 -11.057  -6.486   3.016
  338   1HG   GLU  42          HG2       GLU  42  -9.365  -4.442   3.860
  339   2HG   GLU  42          HG1       GLU  42 -10.483  -3.681   2.730
  340    H    ASP  43           HN       ASP  43  -8.386  -6.168   0.010
  341    HA   ASP  43           HA       ASP  43  -9.429  -8.712  -0.878
  342   1HB   ASP  43          HB2       ASP  43  -8.473  -6.228  -2.161
  343   2HB   ASP  43          HB1       ASP  43  -8.137  -7.707  -3.056
  344    H    ILE  44           HN       ILE  44  -6.396  -7.319   0.027
  345    HA   ILE  44           HA       ILE  44  -4.853  -9.452  -1.174
  346    HB   ILE  44           HB       ILE  44  -3.856  -7.312   0.699
  347   1HG1  ILE  44          HG12      ILE  44  -4.903  -6.237  -1.211
  348   2HG1  ILE  44          HG11      ILE  44  -3.156  -6.110  -1.359
  349   1HG2  ILE  44          HG21      ILE  44  -2.461  -9.096  -1.290
  350   2HG2  ILE  44          HG22      ILE  44  -2.331  -9.164   0.469
  351   3HG2  ILE  44          HG23      ILE  44  -1.696  -7.772  -0.411
  352   1HD1  ILE  44          HD11      ILE  44  -3.484  -8.314  -2.775
  353   2HD1  ILE  44          HD12      ILE  44  -3.681  -6.710  -3.482
  354   3HD1  ILE  44          HD13      ILE  44  -5.098  -7.638  -2.990
  355    H    HIS  45           HN       HIS  45  -5.620  -8.312   2.104
  356    HA   HIS  45           HA       HIS  45  -4.221 -10.425   3.384
  357   1HB   HIS  45          HB2       HIS  45  -4.758  -9.393   5.344
  358   2HB   HIS  45          HB1       HIS  45  -5.084  -8.054   4.252
  359    HD1  HIS  45           HD1      HIS  45  -6.460  -9.026   7.134
  360    HD2  HIS  45           HD2      HIS  45  -8.091  -8.857   3.319
  361    HE1  HIS  45           HE1      HIS  45  -8.947  -8.873   7.477
  362    HE2  HIS  45           HE2      HIS  45  -9.907  -8.669   5.156
  363    H    ASP  46           HN       ASP  46  -7.464 -10.149   2.113
  364    HA   ASP  46           HA       ASP  46  -8.373 -12.491   3.577
  365   1HB   ASP  46          HB2       ASP  46  -9.695 -10.740   1.504
  366   2HB   ASP  46          HB1       ASP  46 -10.449 -12.193   2.147
  367    H    PHE  47           HN       PHE  47  -7.472 -11.570   0.305
  368    HA   PHE  47           HA       PHE  47  -8.053 -14.137  -0.827
  369   1HB   PHE  47          HB2       PHE  47  -6.502 -11.758  -1.814
  370   2HB   PHE  47          HB1       PHE  47  -6.561 -13.257  -2.730
  371    HD1  PHE  47           HD1      PHE  47  -7.935 -13.025  -4.546
  372    HD2  PHE  47           HD2      PHE  47  -9.135 -11.329  -0.831
  373    HE1  PHE  47           HE1      PHE  47 -10.072 -12.341  -5.553
  374    HE2  PHE  47           HE2      PHE  47 -11.275 -10.644  -1.832
  375    HZ   PHE  47           HZ       PHE  47 -11.746 -11.149  -4.195
  376    H    MET  48           HN       MET  48  -5.103 -12.595   0.388
  377    HA   MET  48           HA       MET  48  -3.220 -14.455  -0.431
  378   1HB   MET  48          HB2       MET  48  -1.814 -13.658   1.353
  379   2HB   MET  48          HB1       MET  48  -2.710 -12.298   0.695
  380   1HG   MET  48          HG2       MET  48  -4.175 -12.253   2.564
  381   2HG   MET  48          HG1       MET  48  -3.554 -13.789   3.164
  382   1HE   MET  48          HE1       MET  48  -2.664 -10.272   2.101
  383   2HE   MET  48          HE2       MET  48  -1.014 -10.836   1.840
  384   3HE   MET  48          HE3       MET  48  -1.376  -9.757   3.188
  385    H    GLN  49           HN       GLN  49  -5.639 -14.721   2.041
  386    HA   GLN  49           HA       GLN  49  -4.437 -16.992   3.333
  387   1HB   GLN  49          HB2       GLN  49  -6.275 -15.161   4.128
  388   2HB   GLN  49          HB1       GLN  49  -7.326 -16.507   3.708
  389   1HG   GLN  49          HG2       GLN  49  -6.386 -17.902   5.320
  390   2HG   GLN  49          HG1       GLN  49  -4.952 -16.892   5.490
  391   1HE2  GLN  49          HE21      GLN  49  -8.150 -17.491   6.535
  392   2HE2  GLN  49          HE22      GLN  49  -8.245 -16.233   7.715
  393    H    GLY  50           HN       GLY  50  -5.859 -16.675   0.383
  394   1HA   GLY  50          HA2       GLY  50  -5.965 -18.809  -0.870
  395   2HA   GLY  50          HA1       GLY  50  -6.905 -19.436   0.475
  396    H    GLY  51           HN       GLY  51  -7.545 -16.177  -0.432
  397   1HA   GLY  51          HA2       GLY  51 -10.153 -17.024  -1.458
  398   2HA   GLY  51          HA1       GLY  51  -9.734 -15.410  -0.905
  399    H    GLY  52           HN       GLY  52  -7.668 -17.179  -3.089
  400   1HA   GLY  52          HA2       GLY  52  -7.631 -17.053  -5.462
  401   2HA   GLY  52          HA1       GLY  52  -8.709 -15.668  -5.378
  402    H    SER  53           HN       SER  53  -5.730 -16.169  -3.547
  403    HA   SER  53           HA       SER  53  -4.767 -13.577  -4.043
  404   1HB   SER  53          HB2       SER  53  -2.875 -14.188  -2.803
  405   2HB   SER  53          HB1       SER  53  -4.126 -15.258  -2.172
  406    HG   SER  53           HG       SER  53  -2.973 -16.875  -2.826
  407    H    GLY  54           HN       GLY  54  -4.492 -16.521  -5.855
  408   1HA   GLY  54          HA2       GLY  54  -2.241 -15.626  -7.429
  409   2HA   GLY  54          HA1       GLY  54  -3.194 -17.079  -7.698
  410    H    GLY  55           HN       GLY  55  -3.415 -13.533  -7.952
  411   1HA   GLY  55          HA2       GLY  55  -3.886 -13.132 -10.532
  412   2HA   GLY  55          HA1       GLY  55  -5.432 -13.808 -10.045
  413    H    LYS  56           HN       LYS  56  -4.978 -12.457  -7.335
  414    HA   LYS  56           HA       LYS  56  -6.246  -9.953  -8.091
  415   1HB   LYS  56          HB2       LYS  56  -6.657  -9.707  -5.658
  416   2HB   LYS  56          HB1       LYS  56  -7.295 -11.207  -6.314
  417   1HG   LYS  56          HG2       LYS  56  -6.287 -12.177  -4.578
  418   2HG   LYS  56          HG1       LYS  56  -4.800 -11.963  -5.495
  419   1HD   LYS  56          HD2       LYS  56  -4.880  -9.574  -4.346
  420   2HD   LYS  56          HD1       LYS  56  -5.828 -10.458  -3.149
  421   1HE   LYS  56          HE2       LYS  56  -3.332 -11.750  -4.052
  422   2HE   LYS  56          HE1       LYS  56  -3.143 -10.282  -3.095
  423   1HZ   LYS  56          HZ1       LYS  56  -4.575 -12.759  -2.306
  424   2HZ   LYS  56          HZ2       LYS  56  -4.624 -11.323  -1.416
  425   3HZ   LYS  56          HZ3       LYS  56  -3.157 -12.135  -1.626
  426    H    LEU  57           HN       LEU  57  -3.401 -11.002  -6.251
  427    HA   LEU  57           HA       LEU  57  -2.527  -8.433  -5.566
  428   1HB   LEU  57          HB2       LEU  57  -1.768 -10.625  -4.598
  429   2HB   LEU  57          HB1       LEU  57  -0.753 -10.813  -6.014
  430    HG   LEU  57           HG       LEU  57   0.258  -8.541  -5.355
  431   1HD1  LEU  57          HD11      LEU  57  -0.070  -7.689  -3.257
  432   2HD1  LEU  57          HD12      LEU  57  -0.578  -9.239  -2.585
  433   3HD1  LEU  57          HD13      LEU  57  -1.682  -8.315  -3.604
  434   1HD2  LEU  57          HD21      LEU  57   1.980  -9.736  -4.600
  435   2HD2  LEU  57          HD22      LEU  57   0.947 -11.149  -4.807
  436   3HD2  LEU  57          HD23      LEU  57   1.059 -10.362  -3.233
  437    H    GLN  58           HN       GLN  58  -2.647  -9.810  -8.655
  438    HA   GLN  58           HA       GLN  58  -0.284  -8.427  -9.598
  439   1HB   GLN  58          HB2       GLN  58  -0.654  -9.438 -11.708
  440   2HB   GLN  58          HB1       GLN  58  -1.053 -10.665 -10.516
  441   1HG   GLN  58          HG2       GLN  58  -3.449 -10.060 -10.796
  442   2HG   GLN  58          HG1       GLN  58  -2.973  -8.987 -12.110
  443   1HE2  GLN  58          HE21      GLN  58  -3.061  -9.813 -14.067
  444   2HE2  GLN  58          HE22      GLN  58  -2.995 -11.492 -14.470
  445    H    GLU  59           HN       GLU  59  -3.791  -8.211 -10.145
  446    HA   GLU  59           HA       GLU  59  -3.450  -5.642 -11.460
  447   1HB   GLU  59          HB2       GLU  59  -5.659  -7.595 -11.136
  448   2HB   GLU  59          HB1       GLU  59  -6.128  -5.906 -11.262
  449   1HG   GLU  59          HG2       GLU  59  -4.451  -7.419 -13.252
  450   2HG   GLU  59          HG1       GLU  59  -6.160  -7.019 -13.427
  451    H    MET  60           HN       MET  60  -4.365  -6.955  -8.386
  452    HA   MET  60           HA       MET  60  -5.548  -4.535  -7.398
  453   1HB   MET  60          HB2       MET  60  -6.080  -6.885  -6.597
  454   2HB   MET  60          HB1       MET  60  -4.539  -6.851  -5.753
  455   1HG   MET  60          HG2       MET  60  -5.841  -6.140  -4.061
  456   2HG   MET  60          HG1       MET  60  -5.556  -4.576  -4.824
  457   1HE   MET  60          HE1       MET  60  -8.255  -7.214  -6.558
  458   2HE   MET  60          HE2       MET  60  -9.303  -7.170  -5.140
  459   3HE   MET  60          HE3       MET  60  -7.629  -7.704  -4.983
  460    H    MET  61           HN       MET  61  -2.341  -6.025  -7.329
  461    HA   MET  61           HA       MET  61  -1.211  -4.516  -5.267
  462   1HB   MET  61          HB2       MET  61   0.967  -4.825  -6.410
  463   2HB   MET  61          HB1       MET  61   0.051  -6.314  -6.259
  464   1HG   MET  61          HG2       MET  61  -0.671  -6.086  -8.588
  465   2HG   MET  61          HG1       MET  61   0.284  -4.612  -8.731
  466   1HE   MET  61          HE1       MET  61   3.494  -5.436  -9.703
  467   2HE   MET  61          HE2       MET  61   2.002  -4.506  -9.839
  468   3HE   MET  61          HE3       MET  61   2.271  -5.899 -10.886
  469    H    LYS  62           HN       LYS  62  -1.740  -3.684  -8.658
  470    HA   LYS  62           HA       LYS  62  -0.313  -1.243  -8.621
  471   1HB   LYS  62          HB2       LYS  62  -1.443  -2.704 -10.578
  472   2HB   LYS  62          HB1       LYS  62  -2.680  -1.469 -10.391
  473   1HG   LYS  62          HG2       LYS  62  -1.366   0.175 -11.224
  474   2HG   LYS  62          HG1       LYS  62   0.118  -0.533 -10.581
  475   1HD   LYS  62          HD2       LYS  62  -0.885  -2.344 -12.498
  476   2HD   LYS  62          HD1       LYS  62  -0.991  -0.735 -13.216
  477   1HE   LYS  62          HE2       LYS  62   1.486  -1.852 -11.912
  478   2HE   LYS  62          HE1       LYS  62   1.166  -1.916 -13.645
  479   1HZ   LYS  62          HZ1       LYS  62   1.960   0.332 -11.987
  480   2HZ   LYS  62          HZ2       LYS  62   0.802   0.674 -13.171
  481   3HZ   LYS  62          HZ3       LYS  62   2.294   0.014 -13.615
  482    H    GLU  63           HN       GLU  63  -3.269  -2.148  -7.202
  483    HA   GLU  63           HA       GLU  63  -4.508   0.442  -7.275
  484   1HB   GLU  63          HB2       GLU  63  -5.790  -1.687  -7.155
  485   2HB   GLU  63          HB1       GLU  63  -5.173  -1.927  -5.529
  486   1HG   GLU  63          HG2       GLU  63  -6.295   0.072  -4.766
  487   2HG   GLU  63          HG1       GLU  63  -6.841   0.417  -6.407
  488    H    PHE  64           HN       PHE  64  -2.277  -1.193  -5.157
  489    HA   PHE  64           HA       PHE  64  -2.762   0.669  -2.984
  490   1HB   PHE  64          HB2       PHE  64  -1.267  -0.643  -1.684
  491   2HB   PHE  64          HB1       PHE  64  -2.198  -1.788  -2.639
  492    HD1  PHE  64           HD1      PHE  64   1.026   0.105  -2.829
  493    HD2  PHE  64           HD2      PHE  64  -1.093  -3.493  -3.643
  494    HE1  PHE  64           HE1      PHE  64   3.101  -0.927  -3.648
  495    HE2  PHE  64           HE2      PHE  64   0.979  -4.532  -4.464
  496    HZ   PHE  64           HZ       PHE  64   3.077  -3.248  -4.469
  497    H    GLN  65           HN       GLN  65  -0.408   0.092  -5.507
  498    HA   GLN  65           HA       GLN  65   1.462   2.046  -4.577
  499   1HB   GLN  65          HB2       GLN  65   1.470   0.015  -6.494
  500   2HB   GLN  65          HB1       GLN  65   1.613   1.501  -7.425
  501   1HG   GLN  65          HG2       GLN  65   3.672   1.975  -6.622
  502   2HG   GLN  65          HG1       GLN  65   3.349   1.247  -5.049
  503   1HE2  GLN  65          HE21      GLN  65   4.361   0.676  -8.323
  504   2HE2  GLN  65          HE22      GLN  65   4.990  -0.913  -8.067
  505    H    GLN  66           HN       GLN  66  -1.324   2.040  -6.691
  506    HA   GLN  66           HA       GLN  66  -0.908   4.433  -8.068
  507   1HB   GLN  66          HB2       GLN  66  -2.750   2.680  -8.404
  508   2HB   GLN  66          HB1       GLN  66  -3.618   3.517  -7.124
  509   1HG   GLN  66          HG2       GLN  66  -3.523   5.587  -8.455
  510   2HG   GLN  66          HG1       GLN  66  -2.730   4.690  -9.750
  511   1HE2  GLN  66          HE21      GLN  66  -4.110   2.378  -9.841
  512   2HE2  GLN  66          HE22      GLN  66  -5.760   2.670 -10.260
  513    H    VAL  67           HN       VAL  67  -2.076   3.810  -4.829
  514    HA   VAL  67           HA       VAL  67  -3.139   6.323  -4.202
  515    HB   VAL  67           HB       VAL  67  -1.731   4.305  -2.431
  516   1HG1  VAL  67          HG11      VAL  67  -3.654   6.310  -1.351
  517   2HG1  VAL  67          HG12      VAL  67  -1.981   6.795  -1.617
  518   3HG1  VAL  67          HG13      VAL  67  -2.349   5.451  -0.538
  519   1HG2  VAL  67          HG21      VAL  67  -4.397   4.260  -1.815
  520   2HG2  VAL  67          HG22      VAL  67  -3.571   3.125  -2.883
  521   3HG2  VAL  67          HG23      VAL  67  -4.413   4.519  -3.559
  522    H    LEU  68           HN       LEU  68   0.156   5.062  -3.862
  523    HA   LEU  68           HA       LEU  68   1.295   7.430  -2.795
  524   1HB   LEU  68          HB2       LEU  68   2.266   4.885  -3.935
  525   2HB   LEU  68          HB1       LEU  68   3.384   6.237  -4.002
  526    HG   LEU  68           HG       LEU  68   2.624   6.457  -1.440
  527   1HD1  LEU  68          HD11      LEU  68   2.887   3.689  -1.050
  528   2HD1  LEU  68          HD12      LEU  68   1.614   3.901  -2.249
  529   3HD1  LEU  68          HD13      LEU  68   1.495   4.707  -0.684
  530   1HD2  LEU  68          HD21      LEU  68   4.856   5.342  -2.890
  531   2HD2  LEU  68          HD22      LEU  68   4.632   4.508  -1.353
  532   3HD2  LEU  68          HD23      LEU  68   4.841   6.258  -1.383
  533    H    ASP  69           HN       ASP  69   0.149   6.648  -5.913
  534    HA   ASP  69           HA       ASP  69   1.916   8.184  -7.506
  535   1HB   ASP  69          HB2       ASP  69   0.011   6.436  -8.138
  536   2HB   ASP  69          HB1       ASP  69  -0.956   7.902  -8.278
  537    H    GLU  70           HN       GLU  70  -1.434   8.919  -6.467
  538    HA   GLU  70           HA       GLU  70  -1.516  11.600  -7.191
  539   1HB   GLU  70          HB2       GLU  70  -3.318  10.021  -6.072
  540   2HB   GLU  70          HB1       GLU  70  -2.704  10.716  -4.574
  541   1HG   GLU  70          HG2       GLU  70  -4.723  11.833  -5.488
  542   2HG   GLU  70          HG1       GLU  70  -3.347  12.901  -5.222
  543    H    LEU  71           HN       LEU  71  -0.059  10.000  -4.519
  544    HA   LEU  71           HA       LEU  71   0.529  12.274  -2.928
  545   1HB   LEU  71          HB2       LEU  71   0.290  10.260  -1.812
  546   2HB   LEU  71          HB1       LEU  71   1.242   9.383  -2.985
  547    HG   LEU  71           HG       LEU  71   3.102  11.086  -1.899
  548   1HD1  LEU  71          HD11      LEU  71   2.405  10.194   0.620
  549   2HD1  LEU  71          HD12      LEU  71   0.896  10.810  -0.048
  550   3HD1  LEU  71          HD13      LEU  71   2.312  11.854   0.037
  551   1HD2  LEU  71          HD21      LEU  71   3.646   8.971  -0.521
  552   2HD2  LEU  71          HD22      LEU  71   3.676   8.871  -2.284
  553   3HD2  LEU  71          HD23      LEU  71   2.290   8.259  -1.386
  554    H    ASN  72           HN       ASN  72   2.833  10.012  -4.442
  555    HA   ASN  72           HA       ASN  72   5.091  11.547  -4.215
  556   1HB   ASN  72          HB2       ASN  72   4.428   9.141  -5.454
  557   2HB   ASN  72          HB1       ASN  72   5.089  10.129  -6.751
  558   1HD2  ASN  72          HD21      ASN  72   6.128   7.742  -5.338
  559   2HD2  ASN  72          HD22      ASN  72   7.695   8.199  -4.773
  560    H    ASN  73           HN       ASN  73   2.484  11.956  -6.467
  561    HA   ASN  73           HA       ASN  73   3.998  13.724  -8.186
  562   1HB   ASN  73          HB2       ASN  73   1.759  12.142  -8.552
  563   2HB   ASN  73          HB1       ASN  73   1.097  13.774  -8.521
  564   1HD2  ASN  73          HD21      ASN  73   2.718  11.442 -10.343
  565   2HD2  ASN  73          HD22      ASN  73   3.077  12.414 -11.725
  566    H    HIS  74           HN       HIS  74   2.930  14.183  -5.178
  567    HA   HIS  74           HA       HIS  74   2.660  17.046  -5.575
  568   1HB   HIS  74          HB2       HIS  74   0.429  15.323  -4.541
  569   2HB   HIS  74          HB1       HIS  74   0.587  16.996  -4.019
  570    HD1  HIS  74           HD1      HIS  74   0.583  18.798  -6.063
  571    HD2  HIS  74           HD2      HIS  74  -0.898  15.005  -6.891
  572    HE1  HIS  74           HE1      HIS  74  -0.768  19.049  -8.169
  573    HE2  HIS  74           HE2      HIS  74  -1.571  16.722  -8.704
  574    H    LEU  75           HN       LEU  75   4.637  15.333  -4.297
  575    HA   LEU  75           HA       LEU  75   4.447  15.302  -1.502
  576   1HB   LEU  75          HB2       LEU  75   6.532  15.054  -3.481
  577   2HB   LEU  75          HB1       LEU  75   7.094  16.031  -2.140
  578    HG   LEU  75           HG       LEU  75   7.735  13.886  -1.566
  579   1HD1  LEU  75          HD11      LEU  75   5.074  13.909  -0.210
  580   2HD1  LEU  75          HD12      LEU  75   6.288  15.136   0.150
  581   3HD1  LEU  75          HD13      LEU  75   6.647  13.432   0.429
  582   1HD2  LEU  75          HD21      LEU  75   6.275  12.867  -3.389
  583   2HD2  LEU  75          HD22      LEU  75   5.030  12.743  -2.147
  584   3HD2  LEU  75          HD23      LEU  75   6.566  11.900  -1.944
  585    H    GLN  76           HN       GLN  76   3.286  17.210  -1.033
  586    HA   GLN  76           HA       GLN  76   4.443  19.774  -1.603
  587   1HB   GLN  76          HB2       GLN  76   1.918  19.069  -1.399
  588   2HB   GLN  76          HB1       GLN  76   2.167  19.440   0.301
  589   1HG   GLN  76          HG2       GLN  76   3.190  21.658  -0.715
  590   2HG   GLN  76          HG1       GLN  76   2.119  21.240  -2.051
  591   1HE2  GLN  76          HE21      GLN  76   2.340  22.328   1.211
  592   2HE2  GLN  76          HE22      GLN  76   0.664  22.681   1.436
  593    H    GLY  77           HN       GLY  77   4.166  17.645   1.179
  594   1HA   GLY  77          HA2       GLY  77   5.166  19.640   3.021
  595   2HA   GLY  77          HA1       GLY  77   4.798  17.964   3.395
  596    H    GLY  78           HN       GLY  78   6.368  16.369   2.271
  597   1HA   GLY  78          HA2       GLY  78   9.001  17.221   1.678
  598   2HA   GLY  78          HA1       GLY  78   8.899  16.719   3.359
  599    H    LYS  79           HN       LYS  79   9.603  15.705   0.321
  600    HA   LYS  79           HA       LYS  79   8.518  13.257  -0.124
  601   1HB   LYS  79          HB2       LYS  79  10.869  12.615  -0.992
  602   2HB   LYS  79          HB1       LYS  79  10.025  13.960  -1.745
  603   1HG   LYS  79          HG2       LYS  79  11.639  15.382  -1.206
  604   2HG   LYS  79          HG1       LYS  79  11.631  14.855   0.479
  605   1HD   LYS  79          HD2       LYS  79  12.968  13.292  -1.719
  606   2HD   LYS  79          HD1       LYS  79  13.802  14.533  -0.781
  607   1HE   LYS  79          HE2       LYS  79  12.917  13.192   1.267
  608   2HE   LYS  79          HE1       LYS  79  12.738  11.882   0.102
  609   1HZ   LYS  79          HZ1       LYS  79  14.855  11.588   0.976
  610   2HZ   LYS  79          HZ2       LYS  79  15.210  13.241   0.974
  611   3HZ   LYS  79          HZ3       LYS  79  15.155  12.388  -0.485
  612    H    HIS  80           HN       HIS  80  10.789  14.071   2.401
  613    HA   HIS  80           HA       HIS  80  11.857  11.664   3.117
  614   1HB   HIS  80          HB2       HIS  80  12.056  13.995   4.249
  615   2HB   HIS  80          HB1       HIS  80  10.705  13.454   5.239
  616    HD1  HIS  80           HD1      HIS  80  11.490  10.587   5.833
  617    HD2  HIS  80           HD2      HIS  80  14.184  13.749   5.907
  618    HE1  HIS  80           HE1      HIS  80  13.376   9.828   7.313
  619    HE2  HIS  80           HE2      HIS  80  15.033  11.726   7.279
  620    H    THR  81           HN       THR  81   8.548  12.693   3.471
  621    HA   THR  81           HA       THR  81   7.724  10.609   5.233
  622    HB   THR  81           HB       THR  81   6.375  12.630   3.501
  623    HG1  THR  81           HG1      THR  81   6.309  11.917   6.231
  624   1HG2  THR  81          HG21      THR  81   5.127  10.076   4.256
  625   2HG2  THR  81          HG22      THR  81   4.694  11.240   2.994
  626   3HG2  THR  81          HG23      THR  81   4.211  11.531   4.669
  627    H    VAL  82           HN       VAL  82   6.662  11.113   1.896
  628    HA   VAL  82           HA       VAL  82   5.842   8.545   1.351
  629    HB   VAL  82           HB       VAL  82   7.209  10.327  -0.672
  630   1HG1  VAL  82          HG11      VAL  82   5.491   9.217  -2.177
  631   2HG1  VAL  82          HG12      VAL  82   5.226   8.074  -0.862
  632   3HG1  VAL  82          HG13      VAL  82   6.817   8.200  -1.613
  633   1HG2  VAL  82          HG21      VAL  82   4.457  10.447   0.512
  634   2HG2  VAL  82          HG22      VAL  82   4.793  11.068  -1.102
  635   3HG2  VAL  82          HG23      VAL  82   5.627  11.747   0.294
  636    H    HIS  83           HN       HIS  83   9.134   9.891   1.055
  637    HA   HIS  83           HA       HIS  83  10.381   7.818  -0.260
  638   1HB   HIS  83          HB2       HIS  83  11.214  10.027   1.337
  639   2HB   HIS  83          HB1       HIS  83  12.097   8.609   1.888
  640    HD1  HIS  83           HD1      HIS  83  14.115   8.020   0.574
  641    HD2  HIS  83           HD2      HIS  83  11.501  10.426  -1.581
  642    HE1  HIS  83           HE1      HIS  83  15.304   8.543  -1.580
  643    HE2  HIS  83           HE2      HIS  83  13.683   9.957  -2.891
  644    H    HIS  84           HN       HIS  84   9.501   8.071   3.139
  645    HA   HIS  84           HA       HIS  84  10.621   5.520   3.833
  646   1HB   HIS  84          HB2       HIS  84   9.298   7.724   5.220
  647   2HB   HIS  84          HB1       HIS  84   8.783   6.150   5.814
  648    HD1  HIS  84           HD1      HIS  84  11.730   8.429   5.667
  649    HD2  HIS  84           HD2      HIS  84  10.769   4.663   7.137
  650    HE1  HIS  84           HE1      HIS  84  13.632   7.794   7.185
  651    HE2  HIS  84           HE2      HIS  84  13.077   5.468   7.979
  652    H    ILE  85           HN       ILE  85   7.567   6.691   2.658
  653    HA   ILE  85           HA       ILE  85   6.191   4.237   3.320
  654    HB   ILE  85           HB       ILE  85   4.253   5.315   2.999
  655   1HG1  ILE  85          HG12      ILE  85   5.111   7.036   0.722
  656   2HG1  ILE  85          HG11      ILE  85   4.764   5.334   0.450
  657   1HG2  ILE  85          HG21      ILE  85   6.086   7.659   2.929
  658   2HG2  ILE  85          HG22      ILE  85   5.348   6.907   4.338
  659   3HG2  ILE  85          HG23      ILE  85   4.345   7.766   3.164
  660   1HD1  ILE  85          HD11      ILE  85   2.722   6.765   1.985
  661   2HD1  ILE  85          HD12      ILE  85   2.553   5.619   0.658
  662   3HD1  ILE  85          HD13      ILE  85   2.925   7.307   0.321
  663    H    GLU  86           HN       GLU  86   7.591   5.749   0.478
  664    HA   GLU  86           HA       GLU  86   6.568   3.836  -1.382
  665   1HB   GLU  86          HB2       GLU  86   8.412   4.782  -2.867
  666   2HB   GLU  86          HB1       GLU  86   7.196   5.919  -2.308
  667   1HG   GLU  86          HG2       GLU  86   8.734   7.194  -1.393
  668   2HG   GLU  86          HG1       GLU  86   9.339   5.844  -0.437
  669    H    GLN  87           HN       GLN  87   9.646   4.215   0.364
  670    HA   GLN  87           HA       GLN  87  10.930   1.984  -0.801
  671   1HB   GLN  87          HB2       GLN  87  11.366   3.743   1.520
  672   2HB   GLN  87          HB1       GLN  87  11.980   2.110   1.735
  673   1HG   GLN  87          HG2       GLN  87  13.646   3.710   0.844
  674   2HG   GLN  87          HG1       GLN  87  13.378   2.304  -0.185
  675   1HE2  GLN  87          HE21      GLN  87  12.525   2.568  -2.199
  676   2HE2  GLN  87          HE22      GLN  87  12.244   4.111  -2.923
  677    H    ASN  88           HN       ASN  88   8.583   2.396   1.700
  678    HA   ASN  88           HA       ASN  88   8.767  -0.306   2.691
  679   1HB   ASN  88          HB2       ASN  88   7.952   0.815   4.473
  680   2HB   ASN  88          HB1       ASN  88   7.486   2.191   3.480
  681   1HD2  ASN  88          HD21      ASN  88   5.434   2.280   2.604
  682   2HD2  ASN  88          HD22      ASN  88   4.140   1.298   3.197
  683    H    ILE  89           HN       ILE  89   6.235   1.617   1.060
  684    HA   ILE  89           HA       ILE  89   4.527  -0.538   0.539
  685    HB   ILE  89           HB       ILE  89   4.558   2.263  -0.086
  686   1HG1  ILE  89          HG12      ILE  89   2.088   0.842  -0.621
  687   2HG1  ILE  89          HG11      ILE  89   2.841   0.309   0.884
  688   1HG2  ILE  89          HG21      ILE  89   3.719   0.479  -2.369
  689   2HG2  ILE  89          HG22      ILE  89   5.000   1.692  -2.391
  690   3HG2  ILE  89          HG23      ILE  89   3.316   2.190  -2.227
  691   1HD1  ILE  89          HD11      ILE  89   1.901   2.065   1.864
  692   2HD1  ILE  89          HD12      ILE  89   1.394   2.737   0.315
  693   3HD1  ILE  89          HD13      ILE  89   3.001   3.097   0.947
  694    H    LYS  90           HN       LYS  90   6.955   1.022  -1.538
  695    HA   LYS  90           HA       LYS  90   6.485  -0.636  -3.743
  696   1HB   LYS  90          HB2       LYS  90   7.821   1.493  -3.785
  697   2HB   LYS  90          HB1       LYS  90   9.131   0.627  -2.993
  698   1HG   LYS  90          HG2       LYS  90   9.696   0.630  -5.257
  699   2HG   LYS  90          HG1       LYS  90   9.041  -0.982  -4.964
  700   1HD   LYS  90          HD2       LYS  90   7.043  -0.502  -6.069
  701   2HD   LYS  90          HD1       LYS  90   7.284   1.242  -5.943
  702   1HE   LYS  90          HE2       LYS  90   7.746   0.794  -8.178
  703   2HE   LYS  90          HE1       LYS  90   9.343   0.852  -7.433
  704   1HZ   LYS  90          HZ1       LYS  90   9.459  -1.055  -8.683
  705   2HZ   LYS  90          HZ2       LYS  90   7.843  -1.475  -8.422
  706   3HZ   LYS  90          HZ3       LYS  90   8.980  -1.686  -7.188
  707    H    GLU  91           HN       GLU  91   8.234  -1.081  -0.796
  708    HA   GLU  91           HA       GLU  91   9.466  -3.557  -1.713
  709   1HB   GLU  91          HB2       GLU  91  10.734  -1.991  -0.251
  710   2HB   GLU  91          HB1       GLU  91   9.552  -2.263   1.021
  711   1HG   GLU  91          HG2       GLU  91  10.439  -4.232   1.599
  712   2HG   GLU  91          HG1       GLU  91  10.729  -4.707  -0.073
  713    H    ILE  92           HN       ILE  92   6.491  -2.636  -0.675
  714    HA   ILE  92           HA       ILE  92   5.899  -4.780   1.125
  715    HB   ILE  92           HB       ILE  92   4.582  -2.380   0.250
  716   1HG1  ILE  92          HG12      ILE  92   3.416  -2.634   2.373
  717   2HG1  ILE  92          HG11      ILE  92   3.939  -4.311   2.480
  718   1HG2  ILE  92          HG21      ILE  92   2.828  -4.821   0.295
  719   2HG2  ILE  92          HG22      ILE  92   3.196  -3.843  -1.125
  720   3HG2  ILE  92          HG23      ILE  92   2.275  -3.149   0.210
  721   1HD1  ILE  92          HD11      ILE  92   5.458  -3.298   3.844
  722   2HD1  ILE  92          HD12      ILE  92   5.483  -1.810   2.896
  723   3HD1  ILE  92          HD13      ILE  92   6.325  -3.245   2.308
  724    H    PHE  93           HN       PHE  93   5.318  -3.967  -2.251
  725    HA   PHE  93           HA       PHE  93   3.734  -6.126  -2.997
  726   1HB   PHE  93          HB2       PHE  93   4.054  -5.376  -5.132
  727   2HB   PHE  93          HB1       PHE  93   4.767  -3.993  -4.306
  728    HD1  PHE  93           HD1      PHE  93   7.335  -4.671  -3.528
  729    HD2  PHE  93           HD2      PHE  93   5.255  -5.984  -6.997
  730    HE1  PHE  93           HE1      PHE  93   9.474  -5.127  -4.628
  731    HE2  PHE  93           HE2      PHE  93   7.399  -6.434  -8.115
  732    HZ   PHE  93           HZ       PHE  93   9.519  -6.003  -6.935
  733    H    HIS  94           HN       HIS  94   7.125  -5.948  -2.252
  734    HA   HIS  94           HA       HIS  94   8.021  -8.269  -3.569
  735   1HB   HIS  94          HB2       HIS  94   9.087  -6.361  -1.703
  736   2HB   HIS  94          HB1       HIS  94   9.495  -7.985  -1.161
  737    HD1  HIS  94           HD1      HIS  94  10.931  -5.419  -3.031
  738    HD2  HIS  94           HD2      HIS  94  10.496  -9.499  -3.689
  739    HE1  HIS  94           HE1      HIS  94  12.687  -6.017  -4.728
  740    HE2  HIS  94           HE2      HIS  94  12.456  -8.505  -5.052
  741    H    HIS  95           HN       HIS  95   7.414  -7.870  -0.084
  742    HA   HIS  95           HA       HIS  95   7.320 -10.622   0.470
  743   1HB   HIS  95          HB2       HIS  95   6.618  -8.128   1.888
  744   2HB   HIS  95          HB1       HIS  95   5.753  -9.562   2.428
  745    HD1  HIS  95           HD1      HIS  95   9.327  -9.694   1.275
  746    HD2  HIS  95           HD2      HIS  95   7.147  -9.810   4.810
  747    HE1  HIS  95           HE1      HIS  95  10.970 -10.365   3.056
  748    HE2  HIS  95           HE2      HIS  95   9.647 -10.344   5.200
  749    H    LEU  96           HN       LEU  96   5.159  -8.655  -1.238
  750    HA   LEU  96           HA       LEU  96   2.799 -10.224  -0.569
  751   1HB   LEU  96          HB2       LEU  96   3.304  -7.865  -2.369
  752   2HB   LEU  96          HB1       LEU  96   1.769  -8.718  -2.367
  753    HG   LEU  96           HG       LEU  96   3.020  -7.316  -0.021
  754   1HD1  LEU  96          HD11      LEU  96   2.217  -5.722  -1.626
  755   2HD1  LEU  96          HD12      LEU  96   1.072  -5.783  -0.284
  756   3HD1  LEU  96          HD13      LEU  96   0.697  -6.598  -1.801
  757   1HD2  LEU  96          HD21      LEU  96   1.253  -9.421   0.067
  758   2HD2  LEU  96          HD22      LEU  96   0.200  -8.011   0.158
  759   3HD2  LEU  96          HD23      LEU  96   1.496  -8.220   1.336
  760    H    GLU  97           HN       GLU  97   4.341  -9.289  -3.640
  761    HA   GLU  97           HA       GLU  97   3.186 -11.382  -5.131
  762   1HB   GLU  97          HB2       GLU  97   5.494  -9.515  -5.576
  763   2HB   GLU  97          HB1       GLU  97   5.207 -10.837  -6.699
  764   1HG   GLU  97          HG2       GLU  97   3.086  -8.840  -5.977
  765   2HG   GLU  97          HG1       GLU  97   4.220  -8.593  -7.303
  766    H    GLU  98           HN       GLU  98   5.738 -11.338  -2.870
  767    HA   GLU  98           HA       GLU  98   7.051 -13.695  -3.970
  768   1HB   GLU  98          HB2       GLU  98   8.287 -11.810  -2.807
  769   2HB   GLU  98          HB1       GLU  98   7.587 -12.390  -1.302
  770   1HG   GLU  98          HG2       GLU  98   8.695 -14.517  -1.566
  771   2HG   GLU  98          HG1       GLU  98   9.321 -14.024  -3.140
  772    H    LEU  99           HN       LEU  99   4.388 -13.039  -2.037
  773    HA   LEU  99           HA       LEU  99   4.584 -15.338  -0.308
  774   1HB   LEU  99          HB2       LEU  99   3.426 -13.345   0.461
  775   2HB   LEU  99          HB1       LEU  99   2.315 -13.434  -0.892
  776    HG   LEU  99           HG       LEU  99   1.576 -15.686   0.045
  777   1HD1  LEU  99          HD11      LEU  99   2.016 -15.378   2.717
  778   2HD1  LEU  99          HD12      LEU  99   3.564 -14.883   2.033
  779   3HD1  LEU  99          HD13      LEU  99   2.905 -16.475   1.660
  780   1HD2  LEU  99          HD21      LEU  99   0.503 -14.249   2.107
  781   2HD2  LEU  99          HD22      LEU  99  -0.109 -14.267   0.453
  782   3HD2  LEU  99          HD23      LEU  99   0.977 -12.979   0.979
  783    H    VAL 100           HN       VAL 100   2.369 -14.363  -2.919
  784    HA   VAL 100           HA       VAL 100   1.081 -16.846  -3.162
  785    HB   VAL 100           HB       VAL 100   1.440 -14.762  -5.322
  786   1HG1  VAL 100          HG11      VAL 100  -1.061 -16.271  -5.193
  787   2HG1  VAL 100          HG12      VAL 100   0.352 -17.271  -5.531
  788   3HG1  VAL 100          HG13      VAL 100  -0.029 -15.900  -6.575
  789   1HG2  VAL 100          HG21      VAL 100   0.413 -13.457  -3.787
  790   2HG2  VAL 100          HG22      VAL 100  -0.211 -14.830  -2.874
  791   3HG2  VAL 100          HG23      VAL 100  -1.025 -14.308  -4.350
  792    H    HIS 101           HN       HIS 101   4.050 -15.611  -4.538
  793    HA   HIS 101           HA       HIS 101   4.342 -17.589  -6.557
  794   1HB   HIS 101          HB2       HIS 101   5.690 -15.266  -5.823
  795   2HB   HIS 101          HB1       HIS 101   6.862 -16.547  -5.538
  796    HD1  HIS 101           HD1      HIS 101   4.359 -16.663  -8.347
  797    HD2  HIS 101           HD2      HIS 101   8.417 -15.995  -7.759
  798    HE1  HIS 101           HE1      HIS 101   5.376 -16.640 -10.645
  799    HE2  HIS 101           HE2      HIS 101   7.816 -16.142 -10.270
  800    H    ARG 102           HN       ARG 102   5.453 -17.325  -3.215
  801    HA   ARG 102           HA       ARG 102   7.087 -19.621  -3.208
  802   1HB   ARG 102          HB2       ARG 102   6.461 -17.623  -1.401
  803   2HB   ARG 102          HB1       ARG 102   5.772 -19.059  -0.658
  804   1HG   ARG 102          HG2       ARG 102   8.426 -19.581  -1.660
  805   2HG   ARG 102          HG1       ARG 102   8.416 -18.210  -0.549
  806   1HD   ARG 102          HD2       ARG 102   8.562 -19.799   1.035
  807   2HD   ARG 102          HD1       ARG 102   6.825 -19.953   0.780
  808    HE   ARG 102           HE       ARG 102   8.342 -21.611  -0.986
  809   1HH1  ARG 102          HH11      ARG 102   7.049 -21.384   2.247
  810   2HH1  ARG 102          HH12      ARG 102   6.985 -23.099   2.476
  811   1HH2  ARG 102          HH21      ARG 102   8.257 -23.868  -0.687
  812   2HH2  ARG 102          HH22      ARG 102   7.671 -24.509   0.812
  Start of MODEL    8
    1   1H    MET   1           HT1      MET   1   1.934 -22.117   5.214
    2   2H    MET   1           HT2      MET   1   0.948 -23.420   5.739
    3   3H    MET   1           HT3      MET   1   1.394 -22.181   6.840
    4    HA   MET   1           HA       MET   1  -0.442 -22.043   4.557
    5   1HB   MET   1          HB2       MET   1  -0.616 -21.632   7.540
    6   2HB   MET   1          HB1       MET   1  -1.874 -21.078   6.443
    7   1HG   MET   1          HG2       MET   1  -0.952 -23.925   6.760
    8   2HG   MET   1          HG1       MET   1  -2.418 -23.232   7.447
    9   1HE   MET   1          HE1       MET   1  -3.728 -25.599   5.692
   10   2HE   MET   1          HE2       MET   1  -1.979 -25.737   5.864
   11   3HE   MET   1          HE3       MET   1  -2.715 -25.802   4.262
   12    H    TYR   2           HN       TYR   2  -0.025 -20.333   3.307
   13    HA   TYR   2           HA       TYR   2   1.394 -18.032   4.234
   14   1HB   TYR   2          HB2       TYR   2  -0.111 -18.534   1.659
   15   2HB   TYR   2          HB1       TYR   2   0.889 -17.119   1.969
   16    HD1  TYR   2           HD1      TYR   2   0.839 -20.350   0.592
   17    HD2  TYR   2           HD2      TYR   2   3.364 -17.659   2.709
   18    HE1  TYR   2           HE1      TYR   2   2.812 -21.582  -0.208
   19    HE2  TYR   2           HE2      TYR   2   5.345 -18.882   1.914
   20    HH   TYR   2           HH       TYR   2   5.148 -21.311  -0.533
   21    H    GLY   3           HN       GLY   3   0.604 -16.323   5.257
   22   1HA   GLY   3          HA2       GLY   3  -1.785 -15.003   4.598
   23   2HA   GLY   3          HA1       GLY   3  -2.101 -16.056   5.969
   24    H    LYS   4           HN       LYS   4   0.546 -15.759   7.128
   25    HA   LYS   4           HA       LYS   4   0.076 -13.519   8.752
   26   1HB   LYS   4          HB2       LYS   4   1.515 -15.537   9.309
   27   2HB   LYS   4          HB1       LYS   4   2.772 -14.806   8.318
   28   1HG   LYS   4          HG2       LYS   4   3.257 -14.250  10.562
   29   2HG   LYS   4          HG1       LYS   4   2.629 -12.787   9.800
   30   1HD   LYS   4          HD2       LYS   4   0.348 -13.542  10.727
   31   2HD   LYS   4          HD1       LYS   4   1.288 -14.612  11.767
   32   1HE   LYS   4          HE2       LYS   4   2.287 -11.869  11.712
   33   2HE   LYS   4          HE1       LYS   4   0.636 -12.000  12.316
   34   1HZ   LYS   4          HZ1       LYS   4   1.758 -13.972  13.659
   35   2HZ   LYS   4          HZ2       LYS   4   1.739 -12.382  14.234
   36   3HZ   LYS   4          HZ3       LYS   4   3.122 -12.989  13.471
   37    H    LEU   5           HN       LEU   5   1.418 -13.720   5.624
   38    HA   LEU   5           HA       LEU   5   3.230 -11.642   5.548
   39   1HB   LEU   5          HB2       LEU   5   2.109 -13.194   3.667
   40   2HB   LEU   5          HB1       LEU   5   1.192 -11.727   3.388
   41    HG   LEU   5           HG       LEU   5   2.985 -11.604   1.882
   42   1HD1  LEU   5          HD11      LEU   5   4.285  -9.705   2.624
   43   2HD1  LEU   5          HD12      LEU   5   3.872 -10.044   4.306
   44   3HD1  LEU   5          HD13      LEU   5   2.617  -9.538   3.176
   45   1HD2  LEU   5          HD21      LEU   5   5.387 -11.743   3.137
   46   2HD2  LEU   5          HD22      LEU   5   4.620 -13.091   2.295
   47   3HD2  LEU   5          HD23      LEU   5   4.460 -12.938   4.044
   48    H    ASN   6           HN       ASN   6  -0.187 -11.613   6.094
   49    HA   ASN   6           HA       ASN   6  -0.797  -8.981   5.459
   50   1HB   ASN   6          HB2       ASN   6  -2.671  -9.221   7.064
   51   2HB   ASN   6          HB1       ASN   6  -2.559 -10.549   5.915
   52   1HD2  ASN   6          HD21      ASN   6  -3.958 -10.776   8.277
   53   2HD2  ASN   6          HD22      ASN   6  -3.150 -11.899   9.312
   54    H    ASP   7           HN       ASP   7   0.513 -10.389   8.417
   55    HA   ASP   7           HA       ASP   7   0.372  -8.225  10.126
   56   1HB   ASP   7          HB2       ASP   7   1.247 -10.535  10.663
   57   2HB   ASP   7          HB1       ASP   7   2.768 -10.057   9.914
   58    H    LEU   8           HN       LEU   8   2.471  -8.786   7.411
   59    HA   LEU   8           HA       LEU   8   4.170  -6.514   7.974
   60   1HB   LEU   8          HB2       LEU   8   5.125  -8.471   6.887
   61   2HB   LEU   8          HB1       LEU   8   3.967  -8.342   5.578
   62    HG   LEU   8           HG       LEU   8   6.319  -7.545   5.089
   63   1HD1  LEU   8          HD11      LEU   8   3.897  -6.695   4.146
   64   2HD1  LEU   8          HD12      LEU   8   5.468  -6.311   3.442
   65   3HD1  LEU   8          HD13      LEU   8   4.703  -5.180   4.558
   66   1HD2  LEU   8          HD21      LEU   8   5.693  -4.941   6.318
   67   2HD2  LEU   8          HD22      LEU   8   7.241  -5.761   6.110
   68   3HD2  LEU   8          HD23      LEU   8   6.164  -6.230   7.426
   69    H    LEU   9           HN       LEU   9   1.358  -7.302   6.058
   70    HA   LEU   9           HA       LEU   9   1.403  -5.147   4.269
   71   1HB   LEU   9          HB2       LEU   9  -0.644  -7.021   5.301
   72   2HB   LEU   9          HB1       LEU   9  -1.245  -5.532   4.600
   73    HG   LEU   9           HG       LEU   9   0.629  -7.400   3.158
   74   1HD1  LEU   9          HD11      LEU   9  -1.706  -8.303   3.822
   75   2HD1  LEU   9          HD12      LEU   9  -1.159  -8.467   2.153
   76   3HD1  LEU   9          HD13      LEU   9  -2.297  -7.192   2.585
   77   1HD2  LEU   9          HD21      LEU   9  -0.701  -6.057   1.258
   78   2HD2  LEU   9          HD22      LEU   9   0.822  -5.497   1.951
   79   3HD2  LEU   9          HD23      LEU   9  -0.708  -4.841   2.535
   80    H    GLU  10           HN       GLU  10   0.044  -5.465   7.524
   81    HA   GLU  10           HA       GLU  10  -1.389  -3.166   7.815
   82   1HB   GLU  10          HB2       GLU  10  -0.953  -4.986   9.536
   83   2HB   GLU  10          HB1       GLU  10   0.529  -4.128   9.932
   84   1HG   GLU  10          HG2       GLU  10  -1.162  -2.097  10.157
   85   2HG   GLU  10          HG1       GLU  10  -2.288  -3.413  10.485
   86    H    ASP  11           HN       ASP  11   2.126  -3.482   7.947
   87    HA   ASP  11           HA       ASP  11   2.799  -0.945   8.849
   88   1HB   ASP  11          HB2       ASP  11   4.156  -2.981   7.144
   89   2HB   ASP  11          HB1       ASP  11   4.853  -1.365   7.213
   90    H    LEU  12           HN       LEU  12   2.095  -2.029   5.561
   91    HA   LEU  12           HA       LEU  12   2.719   0.288   4.176
   92   1HB   LEU  12          HB2       LEU  12   2.216  -1.156   2.550
   93   2HB   LEU  12          HB1       LEU  12   1.346  -2.188   3.662
   94    HG   LEU  12           HG       LEU  12  -0.195   0.168   2.811
   95   1HD1  LEU  12          HD11      LEU  12  -0.514  -1.508   0.626
   96   2HD1  LEU  12          HD12      LEU  12   1.230  -1.343   0.818
   97   3HD1  LEU  12          HD13      LEU  12   0.221   0.094   0.646
   98   1HD2  LEU  12          HD21      LEU  12  -1.220  -2.491   2.219
   99   2HD2  LEU  12          HD22      LEU  12  -1.906  -1.207   3.213
  100   3HD2  LEU  12          HD23      LEU  12  -0.709  -2.305   3.895
  101    H    GLN  13           HN       GLN  13  -0.529  -0.775   5.138
  102    HA   GLN  13           HA       GLN  13  -1.881   1.547   4.521
  103   1HB   GLN  13          HB2       GLN  13  -2.736  -0.776   5.365
  104   2HB   GLN  13          HB1       GLN  13  -2.655  -0.030   6.955
  105   1HG   GLN  13          HG2       GLN  13  -3.985   1.754   5.182
  106   2HG   GLN  13          HG1       GLN  13  -4.707   0.154   5.026
  107   1HE2  GLN  13          HE21      GLN  13  -5.049  -0.942   7.230
  108   2HE2  GLN  13          HE22      GLN  13  -5.775   0.045   8.447
  109    H    GLU  14           HN       GLU  14  -0.092   0.756   7.456
  110    HA   GLU  14           HA       GLU  14  -0.896   3.133   8.851
  111   1HB   GLU  14          HB2       GLU  14  -0.083   0.937   9.896
  112   2HB   GLU  14          HB1       GLU  14   1.538   1.459   9.459
  113   1HG   GLU  14          HG2       GLU  14   1.459   2.246  11.581
  114   2HG   GLU  14          HG1       GLU  14   0.796   3.646  10.737
  115    H    VAL  15           HN       VAL  15   1.585   2.248   6.611
  116    HA   VAL  15           HA       VAL  15   3.336   4.406   7.176
  117    HB   VAL  15           HB       VAL  15   3.709   2.186   5.785
  118   1HG1  VAL  15          HG11      VAL  15   2.372   3.872   3.847
  119   2HG1  VAL  15          HG12      VAL  15   2.822   2.175   3.749
  120   3HG1  VAL  15          HG13      VAL  15   3.988   3.417   3.320
  121   1HG2  VAL  15          HG21      VAL  15   5.088   4.757   5.059
  122   2HG2  VAL  15          HG22      VAL  15   5.744   3.116   4.965
  123   3HG2  VAL  15          HG23      VAL  15   5.376   3.830   6.535
  124    H    LEU  16           HN       LEU  16   0.433   4.036   5.296
  125    HA   LEU  16           HA       LEU  16   0.731   6.359   3.711
  126   1HB   LEU  16          HB2       LEU  16  -1.693   4.793   4.557
  127   2HB   LEU  16          HB1       LEU  16  -1.805   6.211   3.534
  128    HG   LEU  16           HG       LEU  16  -1.833   4.544   1.960
  129   1HD1  LEU  16          HD11      LEU  16  -0.021   4.916   0.695
  130   2HD1  LEU  16          HD12      LEU  16   1.097   4.399   1.956
  131   3HD1  LEU  16          HD13      LEU  16   0.433   6.031   1.982
  132   1HD2  LEU  16          HD21      LEU  16   0.233   2.731   2.655
  133   2HD2  LEU  16          HD22      LEU  16  -1.504   2.448   2.566
  134   3HD2  LEU  16          HD23      LEU  16  -0.776   3.001   4.073
  135    H    LYS  17           HN       LYS  17  -0.523   5.761   6.937
  136    HA   LYS  17           HA       LYS  17  -1.971   7.962   7.558
  137   1HB   LYS  17          HB2       LYS  17  -1.378   6.198   9.177
  138   2HB   LYS  17          HB1       LYS  17   0.258   6.837   9.267
  139   1HG   LYS  17          HG2       LYS  17  -1.036   9.053   9.911
  140   2HG   LYS  17          HG1       LYS  17  -2.261   7.891  10.422
  141   1HD   LYS  17          HD2       LYS  17  -0.980   8.182  12.340
  142   2HD   LYS  17          HD1       LYS  17  -0.309   6.710  11.634
  143   1HE   LYS  17          HE2       LYS  17   1.694   7.671  11.659
  144   2HE   LYS  17          HE1       LYS  17   1.106   8.843  10.479
  145   1HZ   LYS  17          HZ1       LYS  17   1.851  10.157  12.206
  146   2HZ   LYS  17          HZ2       LYS  17   1.294   9.105  13.408
  147   3HZ   LYS  17          HZ3       LYS  17   0.195  10.052  12.539
  148    H    ASN  18           HN       ASN  18   1.466   7.826   6.994
  149    HA   ASN  18           HA       ASN  18   1.921  10.587   7.751
  150   1HB   ASN  18          HB2       ASN  18   3.547   8.276   7.039
  151   2HB   ASN  18          HB1       ASN  18   4.104   9.736   6.228
  152   1HD2  ASN  18          HD21      ASN  18   4.541   7.907   8.866
  153   2HD2  ASN  18          HD22      ASN  18   5.126   9.095   9.975
  154    H    LEU  19           HN       LEU  19   1.627   8.694   4.798
  155    HA   LEU  19           HA       LEU  19   2.272  10.568   2.885
  156   1HB   LEU  19          HB2       LEU  19   1.841   8.750   1.685
  157   2HB   LEU  19          HB1       LEU  19   0.948   8.038   3.005
  158    HG   LEU  19           HG       LEU  19  -0.282   9.936   1.015
  159   1HD1  LEU  19          HD11      LEU  19  -0.925   8.200  -0.325
  160   2HD1  LEU  19          HD12      LEU  19  -0.851   7.024   0.979
  161   3HD1  LEU  19          HD13      LEU  19   0.635   7.584   0.217
  162   1HD2  LEU  19          HD21      LEU  19  -1.251   8.419   3.344
  163   2HD2  LEU  19          HD22      LEU  19  -2.289   8.465   1.928
  164   3HD2  LEU  19          HD23      LEU  19  -1.776   9.964   2.689
  165    H    HIS  20           HN       HIS  20  -0.609  10.339   4.832
  166    HA   HIS  20           HA       HIS  20  -2.319  11.971   3.313
  167   1HB   HIS  20          HB2       HIS  20  -2.181  11.463   6.288
  168   2HB   HIS  20          HB1       HIS  20  -3.461  12.398   5.530
  169    HD1  HIS  20           HD1      HIS  20  -5.336  11.120   4.406
  170    HD2  HIS  20           HD2      HIS  20  -2.254   8.673   5.731
  171    HE1  HIS  20           HE1      HIS  20  -6.218   8.772   4.231
  172    HE2  HIS  20           HE2      HIS  20  -4.318   7.304   4.989
  173    H    LYS  21           HN       LYS  21   0.132  12.719   5.702
  174    HA   LYS  21           HA       LYS  21  -0.463  15.570   5.542
  175   1HB   LYS  21          HB2       LYS  21   1.798  14.449   7.144
  176   2HB   LYS  21          HB1       LYS  21   0.767  15.832   7.487
  177   1HG   LYS  21          HG2       LYS  21  -0.220  12.997   7.551
  178   2HG   LYS  21          HG1       LYS  21   0.455  13.820   8.957
  179   1HD   LYS  21          HD2       LYS  21  -1.843  14.163   9.185
  180   2HD   LYS  21          HD1       LYS  21  -1.273  15.663   8.452
  181   1HE   LYS  21          HE2       LYS  21  -2.160  15.118   6.358
  182   2HE   LYS  21          HE1       LYS  21  -2.266  13.406   6.754
  183   1HZ   LYS  21          HZ1       LYS  21  -4.221  13.673   7.819
  184   2HZ   LYS  21          HZ2       LYS  21  -4.356  15.007   6.787
  185   3HZ   LYS  21          HZ3       LYS  21  -3.849  15.224   8.386
  186    H    ASN  22           HN       ASN  22   0.970  13.824   3.387
  187    HA   ASN  22           HA       ASN  22   3.011  15.846   2.890
  188   1HB   ASN  22          HB2       ASN  22   3.613  12.891   2.942
  189   2HB   ASN  22          HB1       ASN  22   4.717  14.138   2.365
  190   1HD2  ASN  22          HD21      ASN  22   2.889  13.071   5.184
  191   2HD2  ASN  22          HD22      ASN  22   3.983  13.709   6.359
  192    H    TRP  23           HN       TRP  23   0.757  13.515   1.614
  193    HA   TRP  23           HA       TRP  23   1.791  13.416  -0.999
  194   1HB   TRP  23          HB2       TRP  23  -0.018  12.207  -1.568
  195   2HB   TRP  23          HB1       TRP  23  -0.231  12.101   0.174
  196    HD1  TRP  23           HD1      TRP  23  -2.413  12.983   1.084
  197    HE1  TRP  23           HE1      TRP  23  -4.467  14.198   0.136
  198    HE3  TRP  23           HE3      TRP  23  -0.587  13.959  -3.535
  199    HZ2  TRP  23           HZ2      TRP  23  -5.213  15.386  -2.347
  200    HZ3  TRP  23           HZ3      TRP  23  -2.022  15.127  -5.165
  201    HH2  TRP  23           HH2      TRP  23  -4.287  15.827  -4.578
  202    H    HIS  24           HN       HIS  24  -0.051  15.829   0.665
  203    HA   HIS  24           HA       HIS  24   0.496  17.826  -1.216
  204   1HB   HIS  24          HB2       HIS  24  -1.093  16.619  -2.646
  205   2HB   HIS  24          HB1       HIS  24  -2.316  16.715  -1.384
  206    HD1  HIS  24           HD1      HIS  24  -0.220  19.141  -3.439
  207    HD2  HIS  24           HD2      HIS  24  -3.981  18.816  -1.704
  208    HE1  HIS  24           HE1      HIS  24  -1.458  21.221  -4.123
  209    HE2  HIS  24           HE2      HIS  24  -3.758  20.965  -3.125
  210    H    GLY  25           HN       GLY  25  -2.143  16.784   0.934
  211   1HA   GLY  25          HA2       GLY  25  -1.867  18.090   3.165
  212   2HA   GLY  25          HA1       GLY  25  -2.163  19.470   2.120
  213    H    GLY  26           HN       GLY  26  -3.587  17.686   4.334
  214   1HA   GLY  26          HA2       GLY  26  -5.848  17.842   4.938
  215   2HA   GLY  26          HA1       GLY  26  -6.240  18.261   3.277
  216    H    LYS  27           HN       LYS  27  -5.782  15.702   5.562
  217    HA   LYS  27           HA       LYS  27  -5.655  13.449   4.008
  218   1HB   LYS  27          HB2       LYS  27  -5.568  13.270   6.392
  219   2HB   LYS  27          HB1       LYS  27  -7.189  13.931   6.564
  220   1HG   LYS  27          HG2       LYS  27  -7.365  11.634   4.914
  221   2HG   LYS  27          HG1       LYS  27  -6.382  11.219   6.318
  222   1HD   LYS  27          HD2       LYS  27  -8.096  11.638   7.808
  223   2HD   LYS  27          HD1       LYS  27  -8.937  12.719   6.696
  224   1HE   LYS  27          HE2       LYS  27 -10.298  10.924   6.462
  225   2HE   LYS  27          HE1       LYS  27  -9.076  10.452   5.281
  226   1HZ   LYS  27          HZ1       LYS  27  -9.289   8.568   6.555
  227   2HZ   LYS  27          HZ2       LYS  27  -9.522   9.417   7.999
  228   3HZ   LYS  27          HZ3       LYS  27  -7.979   9.324   7.312
  229    H    ASP  28           HN       ASP  28  -8.313  15.652   4.369
  230    HA   ASP  28           HA       ASP  28 -10.468  14.097   3.580
  231   1HB   ASP  28          HB2       ASP  28 -11.491  16.190   2.790
  232   2HB   ASP  28          HB1       ASP  28 -10.699  16.416   4.347
  233    H    ASN  29           HN       ASN  29  -7.843  15.452   1.689
  234    HA   ASN  29           HA       ASN  29  -9.097  14.722  -0.829
  235   1HB   ASN  29          HB2       ASN  29  -7.380  16.704  -0.222
  236   2HB   ASN  29          HB1       ASN  29  -6.228  15.478  -0.739
  237   1HD2  ASN  29          HD21      ASN  29  -8.236  17.935  -1.731
  238   2HD2  ASN  29          HD22      ASN  29  -8.272  17.588  -3.423
  239    H    LEU  30           HN       LEU  30  -6.410  13.678   1.204
  240    HA   LEU  30           HA       LEU  30  -5.412  11.644  -0.468
  241   1HB   LEU  30          HB2       LEU  30  -4.297  12.643   1.553
  242   2HB   LEU  30          HB1       LEU  30  -5.406  11.736   2.551
  243    HG   LEU  30           HG       LEU  30  -3.281  10.632   2.516
  244   1HD1  LEU  30          HD11      LEU  30  -5.608   9.392   2.144
  245   2HD1  LEU  30          HD12      LEU  30  -4.078   8.549   2.347
  246   3HD1  LEU  30          HD13      LEU  30  -4.731   8.808   0.731
  247   1HD2  LEU  30          HD21      LEU  30  -3.417  11.121  -0.381
  248   2HD2  LEU  30          HD22      LEU  30  -2.765   9.550   0.099
  249   3HD2  LEU  30          HD23      LEU  30  -2.023  11.033   0.695
  250    H    HIS  31           HN       HIS  31  -8.000  11.744   1.902
  251    HA   HIS  31           HA       HIS  31  -8.539   9.114   2.375
  252   1HB   HIS  31          HB2       HIS  31  -9.772  11.201   3.214
  253   2HB   HIS  31          HB1       HIS  31 -10.749  11.064   1.755
  254    HD1  HIS  31           HD1      HIS  31  -9.699   8.693   4.553
  255    HD2  HIS  31           HD2      HIS  31 -13.007   9.678   2.240
  256    HE1  HIS  31           HE1      HIS  31 -11.559   7.216   5.379
  257    HE2  HIS  31           HE2      HIS  31 -13.523   7.760   3.897
  258    H    ASP  32           HN       ASP  32  -9.247  10.926  -0.554
  259    HA   ASP  32           HA       ASP  32 -10.824   8.841  -1.724
  260   1HB   ASP  32          HB2       ASP  32 -10.496  11.517  -2.239
  261   2HB   ASP  32          HB1       ASP  32  -9.620  10.774  -3.573
  262    H    VAL  33           HN       VAL  33  -7.447   9.561  -1.576
  263    HA   VAL  33           HA       VAL  33  -6.851   7.791  -3.808
  264    HB   VAL  33           HB       VAL  33  -5.661  10.003  -3.312
  265   1HG1  VAL  33          HG11      VAL  33  -3.583   9.731  -1.962
  266   2HG1  VAL  33          HG12      VAL  33  -4.249   8.224  -1.343
  267   3HG1  VAL  33          HG13      VAL  33  -5.072   9.750  -1.023
  268   1HG2  VAL  33          HG21      VAL  33  -4.498   9.182  -4.998
  269   2HG2  VAL  33          HG22      VAL  33  -4.722   7.527  -4.429
  270   3HG2  VAL  33          HG23      VAL  33  -3.385   8.502  -3.813
  271    H    ASP  34           HN       ASP  34  -6.193   7.952  -0.298
  272    HA   ASP  34           HA       ASP  34  -4.929   5.391  -0.277
  273   1HB   ASP  34          HB2       ASP  34  -4.264   6.784   1.496
  274   2HB   ASP  34          HB1       ASP  34  -5.928   7.210   1.901
  275    H    ASN  35           HN       ASN  35  -8.219   6.485  -0.177
  276    HA   ASN  35           HA       ASN  35  -9.466   4.347   1.114
  277   1HB   ASN  35          HB2       ASN  35 -10.841   6.189   0.509
  278   2HB   ASN  35          HB1       ASN  35 -10.352   6.103  -1.179
  279   1HD2  ASN  35          HD21      ASN  35 -12.605   6.110  -1.674
  280   2HD2  ASN  35          HD22      ASN  35 -13.527   4.653  -1.563
  281    H    HIS  36           HN       HIS  36  -7.999   4.642  -2.008
  282    HA   HIS  36           HA       HIS  36  -9.008   2.255  -3.171
  283   1HB   HIS  36          HB2       HIS  36  -7.347   4.427  -3.948
  284   2HB   HIS  36          HB1       HIS  36  -6.396   2.959  -4.173
  285    HD1  HIS  36           HD1      HIS  36  -9.107   1.288  -4.931
  286    HD2  HIS  36           HD2      HIS  36  -7.609   4.718  -6.734
  287    HE1  HIS  36           HE1      HIS  36 -10.069   1.301  -7.254
  288    HE2  HIS  36           HE2      HIS  36  -9.073   3.336  -8.357
  289    H    LEU  37           HN       LEU  37  -6.339   3.069  -1.099
  290    HA   LEU  37           HA       LEU  37  -4.968   0.573  -1.345
  291   1HB   LEU  37          HB2       LEU  37  -4.052   2.867  -0.611
  292   2HB   LEU  37          HB1       LEU  37  -4.740   2.493   0.954
  293    HG   LEU  37           HG       LEU  37  -2.768   1.594   1.442
  294   1HD1  LEU  37          HD11      LEU  37  -3.983  -0.471   1.179
  295   2HD1  LEU  37          HD12      LEU  37  -2.317  -0.695   0.652
  296   3HD1  LEU  37          HD13      LEU  37  -3.601  -0.513  -0.542
  297   1HD2  LEU  37          HD21      LEU  37  -1.442   2.601  -0.134
  298   2HD2  LEU  37          HD22      LEU  37  -2.304   1.864  -1.485
  299   3HD2  LEU  37          HD23      LEU  37  -1.180   0.901  -0.522
  300    H    GLN  38           HN       GLN  38  -6.596   2.076   1.439
  301    HA   GLN  38           HA       GLN  38  -6.724  -0.075   3.116
  302   1HB   GLN  38          HB2       GLN  38  -8.795   0.970   4.068
  303   2HB   GLN  38          HB1       GLN  38  -7.434   2.070   3.890
  304   1HG   GLN  38          HG2       GLN  38  -8.481   3.341   2.375
  305   2HG   GLN  38          HG1       GLN  38  -9.282   1.969   1.610
  306   1HE2  GLN  38          HE21      GLN  38 -11.394   2.099   1.741
  307   2HE2  GLN  38          HE22      GLN  38 -12.303   2.733   3.067
  308    H    ASN  39           HN       ASN  39  -8.638   0.476   0.240
  309    HA   ASN  39           HA       ASN  39 -10.594  -1.542   0.860
  310   1HB   ASN  39          HB2       ASN  39 -10.926   0.442  -0.713
  311   2HB   ASN  39          HB1       ASN  39  -9.955  -0.448  -1.883
  312   1HD2  ASN  39          HD21      ASN  39 -10.720  -2.648  -2.409
  313   2HD2  ASN  39          HD22      ASN  39 -12.425  -2.911  -2.502
  314    H    VAL  40           HN       VAL  40  -7.484  -1.429  -0.677
  315    HA   VAL  40           HA       VAL  40  -7.698  -3.986  -1.953
  316    HB   VAL  40           HB       VAL  40  -5.286  -2.272  -1.331
  317   1HG1  VAL  40          HG11      VAL  40  -5.517  -4.990  -2.431
  318   2HG1  VAL  40          HG12      VAL  40  -4.148  -4.187  -1.661
  319   3HG1  VAL  40          HG13      VAL  40  -4.502  -3.887  -3.363
  320   1HG2  VAL  40          HG21      VAL  40  -5.513  -1.328  -3.389
  321   2HG2  VAL  40          HG22      VAL  40  -7.212  -1.668  -3.057
  322   3HG2  VAL  40          HG23      VAL  40  -6.279  -2.757  -4.082
  323    H    ILE  41           HN       ILE  41  -6.236  -2.755   1.041
  324    HA   ILE  41           HA       ILE  41  -4.876  -4.951   1.937
  325    HB   ILE  41           HB       ILE  41  -5.218  -2.661   3.074
  326   1HG1  ILE  41          HG12      ILE  41  -4.829  -3.803   5.378
  327   2HG1  ILE  41          HG11      ILE  41  -4.899  -5.304   4.460
  328   1HG2  ILE  41          HG21      ILE  41  -7.154  -3.987   4.875
  329   2HG2  ILE  41          HG22      ILE  41  -7.772  -3.362   3.348
  330   3HG2  ILE  41          HG23      ILE  41  -6.957  -2.280   4.475
  331   1HD1  ILE  41          HD11      ILE  41  -2.933  -4.886   3.367
  332   2HD1  ILE  41          HD12      ILE  41  -2.621  -4.123   4.926
  333   3HD1  ILE  41          HD13      ILE  41  -3.082  -3.137   3.538
  334    H    GLU  42           HN       GLU  42  -8.342  -4.478   1.843
  335    HA   GLU  42           HA       GLU  42  -8.962  -6.810   3.406
  336   1HB   GLU  42          HB2       GLU  42 -10.813  -5.405   1.480
  337   2HB   GLU  42          HB1       GLU  42 -11.247  -6.343   2.905
  338   1HG   GLU  42          HG2       GLU  42  -9.570  -4.240   3.759
  339   2HG   GLU  42          HG1       GLU  42 -10.767  -3.550   2.665
  340    H    ASP  43           HN       ASP  43  -8.429  -6.078   0.066
  341    HA   ASP  43           HA       ASP  43  -9.396  -8.648  -0.827
  342   1HB   ASP  43          HB2       ASP  43  -8.029  -6.347  -2.225
  343   2HB   ASP  43          HB1       ASP  43  -8.366  -7.872  -3.038
  344    H    ILE  44           HN       ILE  44  -6.427  -7.205   0.220
  345    HA   ILE  44           HA       ILE  44  -4.794  -9.340  -0.862
  346    HB   ILE  44           HB       ILE  44  -3.874  -7.237   1.085
  347   1HG1  ILE  44          HG12      ILE  44  -4.865  -6.023  -0.752
  348   2HG1  ILE  44          HG11      ILE  44  -3.118  -5.955  -0.926
  349   1HG2  ILE  44          HG21      ILE  44  -2.502  -9.321   0.482
  350   2HG2  ILE  44          HG22      ILE  44  -1.714  -7.747   0.381
  351   3HG2  ILE  44          HG23      ILE  44  -2.278  -8.546  -1.086
  352   1HD1  ILE  44          HD11      ILE  44  -5.144  -7.307  -2.602
  353   2HD1  ILE  44          HD12      ILE  44  -3.565  -8.076  -2.442
  354   3HD1  ILE  44          HD13      ILE  44  -3.685  -6.430  -3.063
  355    H    HIS  45           HN       HIS  45  -5.598  -8.107   2.378
  356    HA   HIS  45           HA       HIS  45  -4.349 -10.217   3.764
  357   1HB   HIS  45          HB2       HIS  45  -5.027  -9.150   5.658
  358   2HB   HIS  45          HB1       HIS  45  -5.339  -7.840   4.526
  359    HD1  HIS  45           HD1      HIS  45  -6.849  -8.936   7.336
  360    HD2  HIS  45           HD2      HIS  45  -8.252  -8.672   3.436
  361    HE1  HIS  45           HE1      HIS  45  -9.355  -8.857   7.530
  362    HE2  HIS  45           HE2      HIS  45 -10.179  -8.601   5.162
  363    H    ASP  46           HN       ASP  46  -7.485  -9.943   2.263
  364    HA   ASP  46           HA       ASP  46  -8.509 -12.297   3.627
  365   1HB   ASP  46          HB2       ASP  46  -9.979 -10.351   3.009
  366   2HB   ASP  46          HB1       ASP  46  -9.747 -10.782   1.319
  367    H    PHE  47           HN       PHE  47  -7.558 -11.344   0.348
  368    HA   PHE  47           HA       PHE  47  -8.010 -13.913  -0.787
  369   1HB   PHE  47          HB2       PHE  47  -6.355 -11.565  -1.691
  370   2HB   PHE  47          HB1       PHE  47  -6.399 -13.068  -2.596
  371    HD1  PHE  47           HD1      PHE  47  -9.375 -11.839  -0.837
  372    HD2  PHE  47           HD2      PHE  47  -7.312 -12.020  -4.557
  373    HE1  PHE  47           HE1      PHE  47 -11.412 -11.102  -1.997
  374    HE2  PHE  47           HE2      PHE  47  -9.350 -11.283  -5.723
  375    HZ   PHE  47           HZ       PHE  47 -11.402 -10.823  -4.443
  376    H    MET  48           HN       MET  48  -5.447 -12.599   1.113
  377    HA   MET  48           HA       MET  48  -3.261 -14.125   0.363
  378   1HB   MET  48          HB2       MET  48  -3.859 -12.390   2.442
  379   2HB   MET  48          HB1       MET  48  -3.529 -13.907   3.263
  380   1HG   MET  48          HG2       MET  48  -1.341 -13.816   2.824
  381   2HG   MET  48          HG1       MET  48  -1.592 -13.227   1.182
  382   1HE   MET  48          HE1       MET  48  -0.370 -11.708   0.607
  383   2HE   MET  48          HE2       MET  48   0.664 -10.808   1.716
  384   3HE   MET  48          HE3       MET  48  -0.716 -10.015   0.958
  385    H    GLN  49           HN       GLN  49  -6.165 -15.073   1.996
  386    HA   GLN  49           HA       GLN  49  -5.053 -17.630   2.813
  387   1HB   GLN  49          HB2       GLN  49  -7.346 -16.007   3.555
  388   2HB   GLN  49          HB1       GLN  49  -7.803 -17.683   3.281
  389   1HG   GLN  49          HG2       GLN  49  -5.941 -18.337   4.833
  390   2HG   GLN  49          HG1       GLN  49  -5.773 -16.627   5.226
  391   1HE2  GLN  49          HE21      GLN  49  -6.484 -16.523   7.260
  392   2HE2  GLN  49          HE22      GLN  49  -8.042 -17.041   7.798
  393    H    GLY  50           HN       GLY  50  -5.847 -16.566  -0.070
  394   1HA   GLY  50          HA2       GLY  50  -6.041 -18.021  -1.935
  395   2HA   GLY  50          HA1       GLY  50  -6.855 -19.188  -0.906
  396    H    GLY  51           HN       GLY  51  -8.256 -16.319  -0.136
  397   1HA   GLY  51          HA2       GLY  51 -10.748 -16.871  -1.168
  398   2HA   GLY  51          HA1       GLY  51 -10.198 -15.251  -0.762
  399    H    GLY  52           HN       GLY  52  -8.165 -14.985  -2.664
  400   1HA   GLY  52          HA2       GLY  52  -9.182 -15.553  -5.291
  401   2HA   GLY  52          HA1       GLY  52  -9.399 -13.872  -4.826
  402    H    SER  53           HN       SER  53  -6.679 -15.648  -3.618
  403    HA   SER  53           HA       SER  53  -4.814 -13.796  -4.619
  404   1HB   SER  53          HB2       SER  53  -3.336 -14.877  -3.277
  405   2HB   SER  53          HB1       SER  53  -4.766 -15.713  -2.670
  406    HG   SER  53           HG       SER  53  -3.619 -17.395  -3.270
  407    H    GLY  54           HN       GLY  54  -2.695 -15.223  -5.592
  408   1HA   GLY  54          HA2       GLY  54  -1.925 -16.492  -7.399
  409   2HA   GLY  54          HA1       GLY  54  -3.588 -16.765  -7.890
  410    H    GLY  55           HN       GLY  55  -4.703 -14.532  -8.521
  411   1HA   GLY  55          HA2       GLY  55  -2.791 -13.123 -10.280
  412   2HA   GLY  55          HA1       GLY  55  -4.389 -13.598 -10.824
  413    H    LYS  56           HN       LYS  56  -4.394 -12.548  -7.592
  414    HA   LYS  56           HA       LYS  56  -5.744 -10.098  -8.392
  415   1HB   LYS  56          HB2       LYS  56  -6.774 -11.497  -6.671
  416   2HB   LYS  56          HB1       LYS  56  -5.343 -11.337  -5.666
  417   1HG   LYS  56          HG2       LYS  56  -6.718  -8.854  -6.528
  418   2HG   LYS  56          HG1       LYS  56  -7.490  -9.847  -5.294
  419   1HD   LYS  56          HD2       LYS  56  -4.639  -8.874  -5.131
  420   2HD   LYS  56          HD1       LYS  56  -6.009  -8.039  -4.404
  421   1HE   LYS  56          HE2       LYS  56  -5.337  -9.269  -2.619
  422   2HE   LYS  56          HE1       LYS  56  -6.443 -10.418  -3.353
  423   1HZ   LYS  56          HZ1       LYS  56  -3.728 -10.574  -4.327
  424   2HZ   LYS  56          HZ2       LYS  56  -4.783 -11.812  -3.859
  425   3HZ   LYS  56          HZ3       LYS  56  -3.906 -10.964  -2.690
  426    H    LEU  57           HN       LEU  57  -2.934 -11.057  -6.459
  427    HA   LEU  57           HA       LEU  57  -2.202  -8.517  -5.587
  428   1HB   LEU  57          HB2       LEU  57  -1.088 -11.139  -5.553
  429   2HB   LEU  57          HB1       LEU  57   0.164 -10.015  -6.040
  430    HG   LEU  57           HG       LEU  57   0.459 -10.040  -3.766
  431   1HD1  LEU  57          HD11      LEU  57  -1.670  -7.935  -3.781
  432   2HD1  LEU  57          HD12      LEU  57  -0.161  -7.718  -4.669
  433   3HD1  LEU  57          HD13      LEU  57  -0.131  -7.957  -2.922
  434   1HD2  LEU  57          HD21      LEU  57  -1.008 -10.823  -2.270
  435   2HD2  LEU  57          HD22      LEU  57  -1.950 -11.297  -3.684
  436   3HD2  LEU  57          HD23      LEU  57  -2.309  -9.784  -2.851
  437    H    GLN  58           HN       GLN  58  -2.097  -9.730  -8.777
  438    HA   GLN  58           HA       GLN  58   0.120  -8.041  -9.555
  439   1HB   GLN  58          HB2       GLN  58  -0.323  -8.864 -11.843
  440   2HB   GLN  58          HB1       GLN  58  -0.106 -10.170 -10.687
  441   1HG   GLN  58          HG2       GLN  58  -2.564 -10.393 -10.548
  442   2HG   GLN  58          HG1       GLN  58  -2.711  -9.171 -11.811
  443   1HE2  GLN  58          HE21      GLN  58  -3.704 -11.798 -11.993
  444   2HE2  GLN  58          HE22      GLN  58  -2.858 -12.605 -13.264
  445    H    GLU  59           HN       GLU  59  -3.367  -8.170 -10.252
  446    HA   GLU  59           HA       GLU  59  -3.248  -5.558 -11.504
  447   1HB   GLU  59          HB2       GLU  59  -4.719  -7.329 -12.408
  448   2HB   GLU  59          HB1       GLU  59  -5.635  -7.317 -10.907
  449   1HG   GLU  59          HG2       GLU  59  -6.959  -5.803 -11.824
  450   2HG   GLU  59          HG1       GLU  59  -5.614  -4.666 -11.738
  451    H    MET  60           HN       MET  60  -4.160  -6.979  -8.462
  452    HA   MET  60           HA       MET  60  -5.547  -4.649  -7.513
  453   1HB   MET  60          HB2       MET  60  -6.026  -6.973  -6.714
  454   2HB   MET  60          HB1       MET  60  -4.469  -6.961  -5.896
  455   1HG   MET  60          HG2       MET  60  -5.504  -6.121  -4.134
  456   2HG   MET  60          HG1       MET  60  -5.702  -4.628  -5.050
  457   1HE   MET  60          HE1       MET  60  -7.436  -4.123  -6.544
  458   2HE   MET  60          HE2       MET  60  -9.126  -4.326  -6.082
  459   3HE   MET  60          HE3       MET  60  -8.383  -5.448  -7.221
  460    H    MET  61           HN       MET  61  -2.263  -5.899  -7.365
  461    HA   MET  61           HA       MET  61  -1.293  -4.357  -5.244
  462   1HB   MET  61          HB2       MET  61   0.135  -6.033  -6.076
  463   2HB   MET  61          HB1       MET  61   0.029  -5.437  -7.725
  464   1HG   MET  61          HG2       MET  61   1.124  -3.368  -6.131
  465   2HG   MET  61          HG1       MET  61   1.959  -4.862  -5.722
  466   1HE   MET  61          HE1       MET  61   0.669  -2.958  -9.079
  467   2HE   MET  61          HE2       MET  61   2.285  -2.410  -9.523
  468   3HE   MET  61          HE3       MET  61   1.600  -1.963  -7.960
  469    H    LYS  62           HN       LYS  62  -1.710  -3.541  -8.658
  470    HA   LYS  62           HA       LYS  62  -0.421  -1.050  -8.621
  471   1HB   LYS  62          HB2       LYS  62  -1.417  -2.493 -10.591
  472   2HB   LYS  62          HB1       LYS  62  -2.835  -1.485 -10.330
  473   1HG   LYS  62          HG2       LYS  62  -0.678   0.286 -10.397
  474   2HG   LYS  62          HG1       LYS  62  -0.376  -0.876 -11.691
  475   1HD   LYS  62          HD2       LYS  62  -2.128  -0.155 -12.918
  476   2HD   LYS  62          HD1       LYS  62  -3.145   0.104 -11.499
  477   1HE   LYS  62          HE2       LYS  62  -2.190   2.214 -11.073
  478   2HE   LYS  62          HE1       LYS  62  -0.840   1.912 -12.165
  479   1HZ   LYS  62          HZ1       LYS  62  -2.051   2.478 -13.961
  480   2HZ   LYS  62          HZ2       LYS  62  -2.967   3.347 -12.836
  481   3HZ   LYS  62          HZ3       LYS  62  -3.490   1.825 -13.356
  482    H    GLU  63           HN       GLU  63  -3.403  -2.053  -7.256
  483    HA   GLU  63           HA       GLU  63  -4.669   0.514  -7.257
  484   1HB   GLU  63          HB2       GLU  63  -5.892  -1.667  -7.144
  485   2HB   GLU  63          HB1       GLU  63  -5.291  -1.863  -5.505
  486   1HG   GLU  63          HG2       GLU  63  -6.583  -0.121  -4.685
  487   2HG   GLU  63          HG1       GLU  63  -6.819   0.585  -6.282
  488    H    PHE  64           HN       PHE  64  -2.546  -1.222  -5.058
  489    HA   PHE  64           HA       PHE  64  -2.966   0.736  -2.960
  490   1HB   PHE  64          HB2       PHE  64  -1.720  -0.670  -1.547
  491   2HB   PHE  64          HB1       PHE  64  -2.594  -1.782  -2.590
  492    HD1  PHE  64           HD1      PHE  64  -1.465  -3.550  -3.443
  493    HD2  PHE  64           HD2      PHE  64   0.710  -0.024  -2.471
  494    HE1  PHE  64           HE1      PHE  64   0.633  -4.689  -4.021
  495    HE2  PHE  64           HE2      PHE  64   2.811  -1.159  -3.055
  496    HZ   PHE  64           HZ       PHE  64   2.772  -3.492  -3.828
  497    H    GLN  65           HN       GLN  65  -0.774   0.103  -5.545
  498    HA   GLN  65           HA       GLN  65   1.295   1.853  -4.551
  499   1HB   GLN  65          HB2       GLN  65   1.502  -0.214  -6.159
  500   2HB   GLN  65          HB1       GLN  65   1.115   0.964  -7.405
  501   1HG   GLN  65          HG2       GLN  65   3.102   2.045  -7.201
  502   2HG   GLN  65          HG1       GLN  65   3.267   1.652  -5.490
  503   1HE2  GLN  65          HE21      GLN  65   4.366  -0.140  -4.893
  504   2HE2  GLN  65          HE22      GLN  65   5.158  -1.205  -6.000
  505    H    GLN  66           HN       GLN  66  -1.472   2.025  -6.680
  506    HA   GLN  66           HA       GLN  66  -0.883   4.377  -8.071
  507   1HB   GLN  66          HB2       GLN  66  -2.784   2.852  -8.582
  508   2HB   GLN  66          HB1       GLN  66  -3.606   3.441  -7.143
  509   1HG   GLN  66          HG2       GLN  66  -3.509   5.735  -8.135
  510   2HG   GLN  66          HG1       GLN  66  -2.905   4.998  -9.617
  511   1HE2  GLN  66          HE21      GLN  66  -4.311   4.131 -11.015
  512   2HE2  GLN  66          HE22      GLN  66  -6.014   4.005 -10.752
  513    H    VAL  67           HN       VAL  67  -2.217   3.846  -4.872
  514    HA   VAL  67           HA       VAL  67  -3.104   6.402  -4.223
  515    HB   VAL  67           HB       VAL  67  -1.776   4.328  -2.460
  516   1HG1  VAL  67          HG11      VAL  67  -1.980   6.827  -1.649
  517   2HG1  VAL  67          HG12      VAL  67  -2.356   5.484  -0.572
  518   3HG1  VAL  67          HG13      VAL  67  -3.658   6.363  -1.374
  519   1HG2  VAL  67          HG21      VAL  67  -3.638   3.193  -2.932
  520   2HG2  VAL  67          HG22      VAL  67  -4.442   4.607  -3.612
  521   3HG2  VAL  67          HG23      VAL  67  -4.448   4.343  -1.869
  522    H    LEU  68           HN       LEU  68   0.131   5.016  -4.029
  523    HA   LEU  68           HA       LEU  68   1.314   7.381  -2.932
  524   1HB   LEU  68          HB2       LEU  68   2.206   4.726  -3.844
  525   2HB   LEU  68          HB1       LEU  68   3.393   6.011  -3.993
  526    HG   LEU  68           HG       LEU  68   2.513   6.445  -1.458
  527   1HD1  LEU  68          HD11      LEU  68   2.839   3.733  -0.847
  528   2HD1  LEU  68          HD12      LEU  68   1.657   3.775  -2.154
  529   3HD1  LEU  68          HD13      LEU  68   1.372   4.697  -0.678
  530   1HD2  LEU  68          HD21      LEU  68   4.584   4.543  -1.241
  531   2HD2  LEU  68          HD22      LEU  68   4.732   6.300  -1.294
  532   3HD2  LEU  68          HD23      LEU  68   4.826   5.363  -2.783
  533    H    ASP  69           HN       ASP  69   0.269   6.470  -6.034
  534    HA   ASP  69           HA       ASP  69   2.163   7.808  -7.654
  535   1HB   ASP  69          HB2       ASP  69   0.111   6.154  -8.206
  536   2HB   ASP  69          HB1       ASP  69  -0.671   7.695  -8.549
  537    H    GLU  70           HN       GLU  70  -1.048   8.766  -6.443
  538    HA   GLU  70           HA       GLU  70  -1.061  11.395  -7.419
  539   1HB   GLU  70          HB2       GLU  70  -2.930  10.014  -6.228
  540   2HB   GLU  70          HB1       GLU  70  -2.243  10.670  -4.745
  541   1HG   GLU  70          HG2       GLU  70  -4.026  12.075  -5.326
  542   2HG   GLU  70          HG1       GLU  70  -2.552  12.951  -5.740
  543    H    LEU  71           HN       LEU  71   0.597   9.895  -4.831
  544    HA   LEU  71           HA       LEU  71   1.158  12.153  -3.229
  545   1HB   LEU  71          HB2       LEU  71   1.757   9.342  -3.304
  546   2HB   LEU  71          HB1       LEU  71   3.190  10.269  -2.857
  547    HG   LEU  71           HG       LEU  71   1.585  11.527  -1.314
  548   1HD1  LEU  71          HD11      LEU  71  -0.336  10.254  -0.589
  549   2HD1  LEU  71          HD12      LEU  71   0.128   8.898  -1.617
  550   3HD1  LEU  71          HD13      LEU  71  -0.402  10.414  -2.341
  551   1HD2  LEU  71          HD21      LEU  71   3.378   9.520  -0.917
  552   2HD2  LEU  71          HD22      LEU  71   1.919   8.816  -0.230
  553   3HD2  LEU  71          HD23      LEU  71   2.519  10.356   0.376
  554    H    ASN  72           HN       ASN  72   3.424  10.229  -5.200
  555    HA   ASN  72           HA       ASN  72   5.600  11.876  -5.106
  556   1HB   ASN  72          HB2       ASN  72   5.071   9.581  -6.377
  557   2HB   ASN  72          HB1       ASN  72   4.978  10.674  -7.755
  558   1HD2  ASN  72          HD21      ASN  72   6.887   8.662  -7.507
  559   2HD2  ASN  72          HD22      ASN  72   8.445   9.393  -7.357
  560    H    ASN  73           HN       ASN  73   2.606  12.433  -6.690
  561    HA   ASN  73           HA       ASN  73   3.599  14.464  -8.461
  562   1HB   ASN  73          HB2       ASN  73   0.769  13.661  -7.769
  563   2HB   ASN  73          HB1       ASN  73   1.228  14.777  -9.052
  564   1HD2  ASN  73          HD21      ASN  73  -0.253  12.741  -9.809
  565   2HD2  ASN  73          HD22      ASN  73   0.671  11.546 -10.646
  566    H    HIS  74           HN       HIS  74   2.316  14.376  -5.147
  567    HA   HIS  74           HA       HIS  74   2.531  17.323  -5.222
  568   1HB   HIS  74          HB2       HIS  74   0.163  15.714  -4.384
  569   2HB   HIS  74          HB1       HIS  74   0.506  17.228  -3.552
  570    HD1  HIS  74           HD1      HIS  74   0.665  19.387  -5.195
  571    HD2  HIS  74           HD2      HIS  74  -1.175  15.995  -6.735
  572    HE1  HIS  74           HE1      HIS  74  -0.651  20.181  -7.185
  573    HE2  HIS  74           HE2      HIS  74  -1.688  18.098  -8.149
  574    H    LEU  75           HN       LEU  75   4.399  15.370  -4.199
  575    HA   LEU  75           HA       LEU  75   4.341  15.034  -1.427
  576   1HB   LEU  75          HB2       LEU  75   6.248  14.787  -3.503
  577   2HB   LEU  75          HB1       LEU  75   6.977  15.824  -2.293
  578    HG   LEU  75           HG       LEU  75   7.687  13.761  -1.590
  579   1HD1  LEU  75          HD11      LEU  75   6.142  14.993   0.102
  580   2HD1  LEU  75          HD12      LEU  75   6.693  13.354   0.450
  581   3HD1  LEU  75          HD13      LEU  75   5.063  13.623  -0.172
  582   1HD2  LEU  75          HD21      LEU  75   5.005  12.541  -2.199
  583   2HD2  LEU  75          HD22      LEU  75   6.507  11.705  -1.804
  584   3HD2  LEU  75          HD23      LEU  75   6.354  12.565  -3.335
  585    H    GLN  76           HN       GLN  76   3.423  16.808  -0.431
  586    HA   GLN  76           HA       GLN  76   4.134  19.474  -0.881
  587   1HB   GLN  76          HB2       GLN  76   2.041  18.608   0.250
  588   2HB   GLN  76          HB1       GLN  76   3.010  18.384   1.700
  589   1HG   GLN  76          HG2       GLN  76   1.866  20.450   1.907
  590   2HG   GLN  76          HG1       GLN  76   3.568  20.811   1.615
  591   1HE2  GLN  76          HE21      GLN  76   2.906  22.905   0.940
  592   2HE2  GLN  76          HE22      GLN  76   2.262  23.160  -0.643
  593    H    GLY  77           HN       GLY  77   6.535  18.994  -0.887
  594   1HA   GLY  77          HA2       GLY  77   8.614  19.216   0.066
  595   2HA   GLY  77          HA1       GLY  77   7.807  20.277   1.209
  596    H    GLY  78           HN       GLY  78   6.873  16.939   0.971
  597   1HA   GLY  78          HA2       GLY  78   8.333  16.391   3.481
  598   2HA   GLY  78          HA1       GLY  78   6.656  15.916   3.258
  599    H    LYS  79           HN       LYS  79   9.289  15.704   0.912
  600    HA   LYS  79           HA       LYS  79   8.688  13.220  -0.077
  601   1HB   LYS  79          HB2       LYS  79  10.946  13.125  -0.943
  602   2HB   LYS  79          HB1       LYS  79  10.341  14.771  -1.062
  603   1HG   LYS  79          HG2       LYS  79  11.587  14.732   1.394
  604   2HG   LYS  79          HG1       LYS  79  12.628  13.722   0.389
  605   1HD   LYS  79          HD2       LYS  79  13.469  15.889   0.100
  606   2HD   LYS  79          HD1       LYS  79  12.479  15.611  -1.335
  607   1HE   LYS  79          HE2       LYS  79  11.068  17.262  -0.806
  608   2HE   LYS  79          HE1       LYS  79  10.967  16.747   0.877
  609   1HZ   LYS  79          HZ1       LYS  79  12.774  18.683  -0.369
  610   2HZ   LYS  79          HZ2       LYS  79  13.363  17.784   0.936
  611   3HZ   LYS  79          HZ3       LYS  79  11.987  18.749   1.127
  612    H    HIS  80           HN       HIS  80  10.420  14.000   2.858
  613    HA   HIS  80           HA       HIS  80  11.639  11.540   3.358
  614   1HB   HIS  80          HB2       HIS  80  11.996  13.684   4.636
  615   2HB   HIS  80          HB1       HIS  80  10.472  13.372   5.460
  616    HD1  HIS  80           HD1      HIS  80  10.864  12.414   7.694
  617    HD2  HIS  80           HD2      HIS  80  13.717  11.135   4.957
  618    HE1  HIS  80           HE1      HIS  80  12.390  10.883   8.980
  619    HE2  HIS  80           HE2      HIS  80  14.051  10.047   7.279
  620    H    THR  81           HN       THR  81   8.327  12.573   3.771
  621    HA   THR  81           HA       THR  81   7.486  10.409   5.409
  622    HB   THR  81           HB       THR  81   6.145  12.498   3.746
  623    HG1  THR  81           HG1      THR  81   5.714  11.654   6.416
  624   1HG2  THR  81          HG21      THR  81   3.978  11.350   4.851
  625   2HG2  THR  81          HG22      THR  81   4.899   9.911   4.394
  626   3HG2  THR  81          HG23      THR  81   4.476  11.121   3.171
  627    H    VAL  82           HN       VAL  82   6.462  11.039   2.091
  628    HA   VAL  82           HA       VAL  82   5.651   8.491   1.443
  629    HB   VAL  82           HB       VAL  82   7.032  10.302  -0.533
  630   1HG1  VAL  82          HG11      VAL  82   5.319   9.319  -2.064
  631   2HG1  VAL  82          HG12      VAL  82   4.860   8.224  -0.759
  632   3HG1  VAL  82          HG13      VAL  82   6.486   8.154  -1.439
  633   1HG2  VAL  82          HG21      VAL  82   4.351  10.534   0.768
  634   2HG2  VAL  82          HG22      VAL  82   4.609  11.139  -0.867
  635   3HG2  VAL  82          HG23      VAL  82   5.557  11.779   0.474
  636    H    HIS  83           HN       HIS  83   8.934   9.860   1.222
  637    HA   HIS  83           HA       HIS  83  10.206   7.833  -0.148
  638   1HB   HIS  83          HB2       HIS  83  11.068   9.735   1.985
  639   2HB   HIS  83          HB1       HIS  83  12.142   8.394   1.603
  640    HD1  HIS  83           HD1      HIS  83  13.827  10.244   0.731
  641    HD2  HIS  83           HD2      HIS  83  10.311   9.856  -1.450
  642    HE1  HIS  83           HE1      HIS  83  14.254  11.425  -1.448
  643    HE2  HIS  83           HE2      HIS  83  12.147  11.092  -2.788
  644    H    HIS  84           HN       HIS  84   9.315   7.995   3.257
  645    HA   HIS  84           HA       HIS  84  10.434   5.429   3.891
  646   1HB   HIS  84          HB2       HIS  84   9.021   7.574   5.326
  647   2HB   HIS  84          HB1       HIS  84   8.663   5.954   5.914
  648    HD1  HIS  84           HD1      HIS  84  11.726   8.078   5.157
  649    HD2  HIS  84           HD2      HIS  84  10.483   5.031   7.692
  650    HE1  HIS  84           HE1      HIS  84  13.645   7.693   6.735
  651    HE2  HIS  84           HE2      HIS  84  12.824   5.925   8.331
  652    H    ILE  85           HN       ILE  85   7.387   6.623   2.723
  653    HA   ILE  85           HA       ILE  85   6.002   4.159   3.334
  654    HB   ILE  85           HB       ILE  85   4.066   5.241   3.006
  655   1HG1  ILE  85          HG12      ILE  85   5.024   6.920   0.722
  656   2HG1  ILE  85          HG11      ILE  85   4.542   5.245   0.492
  657   1HG2  ILE  85          HG21      ILE  85   4.179   7.723   3.136
  658   2HG2  ILE  85          HG22      ILE  85   5.927   7.564   3.016
  659   3HG2  ILE  85          HG23      ILE  85   5.074   6.843   4.376
  660   1HD1  ILE  85          HD11      ILE  85   2.357   5.699   0.706
  661   2HD1  ILE  85          HD12      ILE  85   2.866   7.329   0.277
  662   3HD1  ILE  85          HD13      ILE  85   2.623   6.899   1.968
  663    H    GLU  86           HN       GLU  86   7.436   5.723   0.534
  664    HA   GLU  86           HA       GLU  86   6.445   3.834  -1.366
  665   1HB   GLU  86          HB2       GLU  86   8.352   4.787  -2.798
  666   2HB   GLU  86          HB1       GLU  86   7.082   5.895  -2.304
  667   1HG   GLU  86          HG2       GLU  86   8.536   7.220  -1.314
  668   2HG   GLU  86          HG1       GLU  86   9.186   5.887  -0.364
  669    H    GLN  87           HN       GLN  87   9.518   4.217   0.390
  670    HA   GLN  87           HA       GLN  87  10.835   2.003  -0.732
  671   1HB   GLN  87          HB2       GLN  87  11.190   3.750   1.589
  672   2HB   GLN  87          HB1       GLN  87  11.722   2.104   1.896
  673   1HG   GLN  87          HG2       GLN  87  13.594   3.328   1.126
  674   2HG   GLN  87          HG1       GLN  87  13.103   2.245  -0.176
  675   1HE2  GLN  87          HE21      GLN  87  12.087   3.112  -2.008
  676   2HE2  GLN  87          HE22      GLN  87  12.224   4.787  -2.410
  677    H    ASN  88           HN       ASN  88   8.386   2.336   1.696
  678    HA   ASN  88           HA       ASN  88   8.568  -0.392   2.620
  679   1HB   ASN  88          HB2       ASN  88   6.987   2.023   3.317
  680   2HB   ASN  88          HB1       ASN  88   6.210   0.470   3.614
  681   1HD2  ASN  88          HD21      ASN  88   9.416   1.940   4.027
  682   2HD2  ASN  88          HD22      ASN  88   9.665   1.351   5.632
  683    H    ILE  89           HN       ILE  89   5.848   1.467   1.235
  684    HA   ILE  89           HA       ILE  89   4.296  -0.697   0.521
  685    HB   ILE  89           HB       ILE  89   4.193   2.111   0.066
  686   1HG1  ILE  89          HG12      ILE  89   1.823   0.613  -0.690
  687   2HG1  ILE  89          HG11      ILE  89   2.549  -0.003   0.796
  688   1HG2  ILE  89          HG21      ILE  89   4.772   1.720  -2.262
  689   2HG2  ILE  89          HG22      ILE  89   3.075   2.180  -2.129
  690   3HG2  ILE  89          HG23      ILE  89   3.511   0.493  -2.389
  691   1HD1  ILE  89          HD11      ILE  89   1.705   1.683   1.948
  692   2HD1  ILE  89          HD12      ILE  89   0.867   2.216   0.490
  693   3HD1  ILE  89          HD13      ILE  89   2.464   2.858   0.875
  694    H    LYS  90           HN       LYS  90   6.690   0.998  -1.503
  695    HA   LYS  90           HA       LYS  90   6.252  -0.606  -3.766
  696   1HB   LYS  90          HB2       LYS  90   7.665   1.611  -3.435
  697   2HB   LYS  90          HB1       LYS  90   8.986   0.472  -3.212
  698   1HG   LYS  90          HG2       LYS  90   9.193   0.659  -5.435
  699   2HG   LYS  90          HG1       LYS  90   7.863  -0.502  -5.471
  700   1HD   LYS  90          HD2       LYS  90   7.046   1.122  -6.873
  701   2HD   LYS  90          HD1       LYS  90   6.390   1.669  -5.328
  702   1HE   LYS  90          HE2       LYS  90   7.287   3.634  -6.028
  703   2HE   LYS  90          HE1       LYS  90   8.717   2.957  -5.250
  704   1HZ   LYS  90          HZ1       LYS  90   9.729   2.580  -7.229
  705   2HZ   LYS  90          HZ2       LYS  90   8.774   3.893  -7.698
  706   3HZ   LYS  90          HZ3       LYS  90   8.283   2.317  -8.069
  707    H    GLU  91           HN       GLU  91   8.058  -1.081  -0.852
  708    HA   GLU  91           HA       GLU  91   9.337  -3.496  -1.863
  709   1HB   GLU  91          HB2       GLU  91  10.597  -1.942  -0.386
  710   2HB   GLU  91          HB1       GLU  91   9.448  -2.274   0.902
  711   1HG   GLU  91          HG2       GLU  91  10.418  -4.212   1.430
  712   2HG   GLU  91          HG1       GLU  91  10.629  -4.675  -0.258
  713    H    ILE  92           HN       ILE  92   6.371  -2.667  -0.679
  714    HA   ILE  92           HA       ILE  92   5.885  -4.899   1.043
  715    HB   ILE  92           HB       ILE  92   4.423  -2.525   0.201
  716   1HG1  ILE  92          HG12      ILE  92   3.547  -2.651   2.451
  717   2HG1  ILE  92          HG11      ILE  92   4.075  -4.323   2.603
  718   1HG2  ILE  92          HG21      ILE  92   2.170  -3.551   0.641
  719   2HG2  ILE  92          HG22      ILE  92   2.936  -5.124   0.417
  720   3HG2  ILE  92          HG23      ILE  92   2.906  -3.961  -0.910
  721   1HD1  ILE  92          HD11      ILE  92   5.630  -1.813   2.783
  722   2HD1  ILE  92          HD12      ILE  92   6.433  -3.230   2.104
  723   3HD1  ILE  92          HD13      ILE  92   5.751  -3.296   3.729
  724    H    PHE  93           HN       PHE  93   5.098  -3.956  -2.270
  725    HA   PHE  93           HA       PHE  93   3.512  -6.090  -3.030
  726   1HB   PHE  93          HB2       PHE  93   3.734  -5.255  -5.133
  727   2HB   PHE  93          HB1       PHE  93   4.545  -3.926  -4.312
  728    HD1  PHE  93           HD1      PHE  93   4.791  -5.984  -7.032
  729    HD2  PHE  93           HD2      PHE  93   7.128  -4.589  -3.766
  730    HE1  PHE  93           HE1      PHE  93   6.844  -6.479  -8.292
  731    HE2  PHE  93           HE2      PHE  93   9.178  -5.080  -5.012
  732    HZ   PHE  93           HZ       PHE  93   9.047  -6.021  -7.288
  733    H    HIS  94           HN       HIS  94   6.953  -5.949  -2.498
  734    HA   HIS  94           HA       HIS  94   7.741  -8.240  -3.911
  735   1HB   HIS  94          HB2       HIS  94   9.184  -6.406  -2.764
  736   2HB   HIS  94          HB1       HIS  94   9.037  -7.410  -1.326
  737    HD1  HIS  94           HD1      HIS  94  10.069  -9.860  -1.517
  738    HD2  HIS  94           HD2      HIS  94  11.062  -7.236  -4.582
  739    HE1  HIS  94           HE1      HIS  94  12.046 -10.896  -2.675
  740    HE2  HIS  94           HE2      HIS  94  12.572  -9.336  -4.582
  741    H    HIS  95           HN       HIS  95   7.342  -7.933  -0.391
  742    HA   HIS  95           HA       HIS  95   7.261 -10.710   0.076
  743   1HB   HIS  95          HB2       HIS  95   6.295  -8.357   1.703
  744   2HB   HIS  95          HB1       HIS  95   6.210 -10.017   2.285
  745    HD1  HIS  95           HD1      HIS  95   7.838  -8.660   4.129
  746    HD2  HIS  95           HD2      HIS  95   9.455  -9.745   0.457
  747    HE1  HIS  95           HE1      HIS  95  10.331  -8.635   4.458
  748    HE2  HIS  95           HE2      HIS  95  11.285  -9.377   2.247
  749    H    LEU  96           HN       LEU  96   5.027  -8.696  -1.431
  750    HA   LEU  96           HA       LEU  96   2.680 -10.188  -0.569
  751   1HB   LEU  96          HB2       LEU  96   3.133  -7.843  -2.391
  752   2HB   LEU  96          HB1       LEU  96   1.581  -8.665  -2.325
  753    HG   LEU  96           HG       LEU  96   2.974  -7.272  -0.058
  754   1HD1  LEU  96          HD11      LEU  96   0.452  -6.626  -1.579
  755   2HD1  LEU  96          HD12      LEU  96   1.975  -5.744  -1.664
  756   3HD1  LEU  96          HD13      LEU  96   1.041  -5.751  -0.167
  757   1HD2  LEU  96          HD21      LEU  96   1.795  -9.198   0.796
  758   2HD2  LEU  96          HD22      LEU  96   0.348  -8.743  -0.103
  759   3HD2  LEU  96          HD23      LEU  96   0.919  -7.727   1.222
  760    H    GLU  97           HN       GLU  97   4.080  -9.343  -3.734
  761    HA   GLU  97           HA       GLU  97   2.729 -11.438  -5.085
  762   1HB   GLU  97          HB2       GLU  97   4.973  -9.578  -5.801
  763   2HB   GLU  97          HB1       GLU  97   4.557 -10.912  -6.870
  764   1HG   GLU  97          HG2       GLU  97   2.282  -9.283  -5.998
  765   2HG   GLU  97          HG1       GLU  97   3.471  -8.435  -6.986
  766    H    GLU  98           HN       GLU  98   5.396 -11.424  -3.010
  767    HA   GLU  98           HA       GLU  98   6.682 -13.736  -4.242
  768   1HB   GLU  98          HB2       GLU  98   7.284 -12.100  -1.783
  769   2HB   GLU  98          HB1       GLU  98   8.119 -13.608  -2.120
  770   1HG   GLU  98          HG2       GLU  98   8.038 -11.572  -4.271
  771   2HG   GLU  98          HG1       GLU  98   9.075 -11.265  -2.880
  772    H    LEU  99           HN       LEU  99   4.403 -12.988  -1.751
  773    HA   LEU  99           HA       LEU  99   4.593 -15.378  -0.252
  774   1HB   LEU  99          HB2       LEU  99   3.513 -13.394   0.636
  775   2HB   LEU  99          HB1       LEU  99   2.299 -13.454  -0.627
  776    HG   LEU  99           HG       LEU  99   1.771 -15.813   0.385
  777   1HD1  LEU  99          HD11      LEU  99   2.101 -15.806   2.845
  778   2HD1  LEU  99          HD12      LEU  99   3.154 -14.404   2.656
  779   3HD1  LEU  99          HD13      LEU  99   3.601 -15.942   1.925
  780   1HD2  LEU  99          HD21      LEU  99   0.993 -13.229   1.734
  781   2HD2  LEU  99          HD22      LEU  99   0.142 -14.766   1.893
  782   3HD2  LEU  99          HD23      LEU  99   0.209 -13.952   0.329
  783    H    VAL 100           HN       VAL 100   2.196 -14.360  -2.688
  784    HA   VAL 100           HA       VAL 100   0.895 -16.852  -2.844
  785    HB   VAL 100           HB       VAL 100   1.045 -14.760  -5.017
  786   1HG1  VAL 100          HG11      VAL 100  -0.627 -15.834  -6.078
  787   2HG1  VAL 100          HG12      VAL 100  -1.399 -16.343  -4.577
  788   3HG1  VAL 100          HG13      VAL 100  -0.011 -17.235  -5.202
  789   1HG2  VAL 100          HG21      VAL 100  -1.318 -14.772  -3.305
  790   2HG2  VAL 100          HG22      VAL 100  -0.333 -13.423  -3.868
  791   3HG2  VAL 100          HG23      VAL 100   0.164 -14.345  -2.450
  792    H    HIS 101           HN       HIS 101   3.571 -15.474  -4.702
  793    HA   HIS 101           HA       HIS 101   3.725 -17.453  -6.683
  794   1HB   HIS 101          HB2       HIS 101   4.959 -15.163  -6.462
  795   2HB   HIS 101          HB1       HIS 101   6.186 -16.105  -5.622
  796    HD1  HIS 101           HD1      HIS 101   6.434 -18.574  -7.289
  797    HD2  HIS 101           HD2      HIS 101   5.924 -14.804  -8.959
  798    HE1  HIS 101           HE1      HIS 101   7.321 -18.752  -9.635
  799    HE2  HIS 101           HE2      HIS 101   7.063 -16.441 -10.605
  800    H    ARG 102           HN       ARG 102   4.940 -17.350  -3.400
  801    HA   ARG 102           HA       ARG 102   6.603 -19.671  -3.677
  802   1HB   ARG 102          HB2       ARG 102   6.330 -17.638  -1.798
  803   2HB   ARG 102          HB1       ARG 102   5.767 -19.073  -0.954
  804   1HG   ARG 102          HG2       ARG 102   7.937 -20.160  -1.825
  805   2HG   ARG 102          HG1       ARG 102   8.465 -18.500  -2.107
  806   1HD   ARG 102          HD2       ARG 102   8.612 -18.025   0.110
  807   2HD   ARG 102          HD1       ARG 102   7.283 -19.102   0.540
  808    HE   ARG 102           HE       ARG 102   9.635 -20.491  -0.342
  809   1HH1  ARG 102          HH11      ARG 102   8.059 -19.015   2.399
  810   2HH1  ARG 102          HH12      ARG 102   8.914 -19.969   3.564
  811   1HH2  ARG 102          HH21      ARG 102  10.762 -21.746   1.187
  812   2HH2  ARG 102          HH22      ARG 102  10.451 -21.519   2.876
  Start of MODEL    9
    1   1H    MET   1           HT1      MET   1  -0.075 -22.727   5.832
    2   2H    MET   1           HT2      MET   1   1.256 -21.717   5.442
    3   3H    MET   1           HT3      MET   1   0.068 -22.071   4.255
    4    HA   MET   1           HA       MET   1  -1.528 -20.807   5.290
    5   1HB   MET   1          HB2       MET   1  -0.951 -19.738   7.541
    6   2HB   MET   1          HB1       MET   1  -1.302 -21.460   7.545
    7   1HG   MET   1          HG2       MET   1   1.043 -21.987   7.663
    8   2HG   MET   1          HG1       MET   1   1.465 -20.282   7.511
    9   1HE   MET   1          HE1       MET   1   1.601 -22.976   9.862
   10   2HE   MET   1          HE2       MET   1  -0.160 -23.035   9.774
   11   3HE   MET   1          HE3       MET   1   0.635 -22.570  11.280
   12    H    TYR   2           HN       TYR   2  -1.067 -19.466   3.563
   13    HA   TYR   2           HA       TYR   2   1.140 -17.561   3.859
   14   1HB   TYR   2          HB2       TYR   2  -0.600 -18.286   1.495
   15   2HB   TYR   2          HB1       TYR   2   0.586 -16.984   1.466
   16    HD1  TYR   2           HD1      TYR   2   0.086 -20.228   0.479
   17    HD2  TYR   2           HD2      TYR   2   2.982 -17.855   2.500
   18    HE1  TYR   2           HE1      TYR   2   1.833 -21.845  -0.138
   19    HE2  TYR   2           HE2      TYR   2   4.738 -19.464   1.888
   20    HH   TYR   2           HH       TYR   2   5.177 -21.184   0.269
   21    H    GLY   3           HN       GLY   3  -0.637 -16.924   5.678
   22   1HA   GLY   3          HA2       GLY   3  -2.215 -14.727   4.489
   23   2HA   GLY   3          HA1       GLY   3  -2.741 -15.632   5.899
   24    H    LYS   4           HN       LYS   4   0.088 -15.631   6.933
   25    HA   LYS   4           HA       LYS   4  -0.136 -13.344   8.567
   26   1HB   LYS   4          HB2       LYS   4   1.115 -15.495   9.101
   27   2HB   LYS   4          HB1       LYS   4   2.408 -14.888   8.072
   28   1HG   LYS   4          HG2       LYS   4   3.109 -14.263  10.175
   29   2HG   LYS   4          HG1       LYS   4   2.313 -12.800   9.590
   30   1HD   LYS   4          HD2       LYS   4   0.262 -13.478  10.792
   31   2HD   LYS   4          HD1       LYS   4   1.129 -14.875  11.433
   32   1HE   LYS   4          HE2       LYS   4   1.959 -12.008  11.858
   33   2HE   LYS   4          HE1       LYS   4   1.008 -12.950  13.006
   34   1HZ   LYS   4          HZ1       LYS   4   3.841 -13.131  12.348
   35   2HZ   LYS   4          HZ2       LYS   4   3.045 -14.590  12.661
   36   3HZ   LYS   4          HZ3       LYS   4   3.056 -13.367  13.829
   37    H    LEU   5           HN       LEU   5   1.094 -13.709   5.408
   38    HA   LEU   5           HA       LEU   5   3.088 -11.791   5.308
   39   1HB   LEU   5          HB2       LEU   5   1.888 -13.294   3.443
   40   2HB   LEU   5          HB1       LEU   5   1.064 -11.777   3.130
   41    HG   LEU   5           HG       LEU   5   2.887 -11.815   1.642
   42   1HD1  LEU   5          HD11      LEU   5   2.560  -9.714   2.989
   43   2HD1  LEU   5          HD12      LEU   5   4.151  -9.909   2.257
   44   3HD1  LEU   5          HD13      LEU   5   3.926 -10.230   3.978
   45   1HD2  LEU   5          HD21      LEU   5   4.085 -13.467   3.555
   46   2HD2  LEU   5          HD22      LEU   5   5.134 -12.055   3.430
   47   3HD2  LEU   5          HD23      LEU   5   4.742 -12.993   1.989
   48    H    ASN   6           HN       ASN   6  -0.296 -11.489   5.888
   49    HA   ASN   6           HA       ASN   6  -0.734  -8.840   5.186
   50   1HB   ASN   6          HB2       ASN   6  -2.588  -8.908   6.837
   51   2HB   ASN   6          HB1       ASN   6  -2.592 -10.265   5.716
   52   1HD2  ASN   6          HD21      ASN   6  -3.994 -10.475   8.003
   53   2HD2  ASN   6          HD22      ASN   6  -3.227 -11.578   9.089
   54    H    ASP   7           HN       ASP   7   0.532 -10.257   8.161
   55    HA   ASP   7           HA       ASP   7   0.558  -8.075   9.833
   56   1HB   ASP   7          HB2       ASP   7   2.128  -9.204  11.119
   57   2HB   ASP   7          HB1       ASP   7   1.447 -10.522  10.173
   58    H    LEU   8           HN       LEU   8   2.574  -8.755   7.081
   59    HA   LEU   8           HA       LEU   8   4.312  -6.479   7.573
   60   1HB   LEU   8          HB2       LEU   8   5.310  -8.480   6.643
   61   2HB   LEU   8          HB1       LEU   8   4.168  -8.477   5.314
   62    HG   LEU   8           HG       LEU   8   6.528  -7.684   4.808
   63   1HD1  LEU   8          HD11      LEU   8   5.700  -6.614   3.033
   64   2HD1  LEU   8          HD12      LEU   8   4.835  -5.438   4.021
   65   3HD1  LEU   8          HD13      LEU   8   4.124  -7.022   3.713
   66   1HD2  LEU   8          HD21      LEU   8   6.998  -6.319   6.697
   67   2HD2  LEU   8          HD22      LEU   8   5.554  -5.343   6.430
   68   3HD2  LEU   8          HD23      LEU   8   6.902  -5.253   5.296
   69    H    LEU   9           HN       LEU   9   1.540  -7.353   5.636
   70    HA   LEU   9           HA       LEU   9   1.703  -5.190   3.806
   71   1HB   LEU   9          HB2       LEU   9   0.096  -7.435   4.127
   72   2HB   LEU   9          HB1       LEU   9  -1.005  -6.093   4.361
   73    HG   LEU   9           HG       LEU   9   0.669  -6.685   1.926
   74   1HD1  LEU   9          HD11      LEU   9  -1.389  -7.962   2.111
   75   2HD1  LEU   9          HD12      LEU   9  -1.508  -6.773   0.813
   76   3HD1  LEU   9          HD13      LEU   9  -2.308  -6.476   2.357
   77   1HD2  LEU   9          HD21      LEU   9  -0.229  -4.140   2.912
   78   2HD2  LEU   9          HD22      LEU   9  -1.046  -4.531   1.400
   79   3HD2  LEU   9          HD23      LEU   9   0.716  -4.513   1.470
   80    H    GLU  10           HN       GLU  10   0.271  -5.623   6.979
   81    HA   GLU  10           HA       GLU  10  -1.408  -3.436   7.141
   82   1HB   GLU  10          HB2       GLU  10  -0.033  -5.189   9.018
   83   2HB   GLU  10          HB1       GLU  10  -0.247  -3.566   9.658
   84   1HG   GLU  10          HG2       GLU  10  -2.608  -3.687   9.388
   85   2HG   GLU  10          HG1       GLU  10  -2.483  -5.195   8.482
   86    H    ASP  11           HN       ASP  11   2.090  -3.569   7.702
   87    HA   ASP  11           HA       ASP  11   2.576  -1.061   8.700
   88   1HB   ASP  11          HB2       ASP  11   4.141  -3.110   7.788
   89   2HB   ASP  11          HB1       ASP  11   4.473  -1.858   6.594
   90    H    LEU  12           HN       LEU  12   2.053  -1.969   5.332
   91    HA   LEU  12           HA       LEU  12   2.645   0.459   4.116
   92   1HB   LEU  12          HB2       LEU  12   2.308  -0.954   2.418
   93   2HB   LEU  12          HB1       LEU  12   1.330  -2.020   3.399
   94    HG   LEU  12           HG       LEU  12  -0.023   0.438   2.447
   95   1HD1  LEU  12          HD11      LEU  12   0.381   0.210   0.291
   96   2HD1  LEU  12          HD12      LEU  12  -0.248  -1.436   0.344
   97   3HD1  LEU  12          HD13      LEU  12   1.469  -1.139   0.616
   98   1HD2  LEU  12          HD21      LEU  12  -0.677  -2.243   3.310
   99   2HD2  LEU  12          HD22      LEU  12  -1.473  -1.841   1.790
  100   3HD2  LEU  12          HD23      LEU  12  -1.702  -0.813   3.204
  101    H    GLN  13           HN       GLN  13  -0.591  -0.781   4.940
  102    HA   GLN  13           HA       GLN  13  -2.030   1.496   4.366
  103   1HB   GLN  13          HB2       GLN  13  -3.026  -0.698   4.950
  104   2HB   GLN  13          HB1       GLN  13  -2.584  -0.436   6.631
  105   1HG   GLN  13          HG2       GLN  13  -4.277   1.570   5.216
  106   2HG   GLN  13          HG1       GLN  13  -4.995   0.075   5.815
  107   1HE2  GLN  13          HE21      GLN  13  -4.575   3.187   6.553
  108   2HE2  GLN  13          HE22      GLN  13  -4.559   3.106   8.279
  109    H    GLU  14           HN       GLU  14  -0.235   0.713   7.299
  110    HA   GLU  14           HA       GLU  14  -1.128   3.040   8.729
  111   1HB   GLU  14          HB2       GLU  14   0.010   0.700   9.511
  112   2HB   GLU  14          HB1       GLU  14   1.415   1.758   9.530
  113   1HG   GLU  14          HG2       GLU  14   0.112   3.327  10.973
  114   2HG   GLU  14          HG1       GLU  14  -1.145   2.094  11.070
  115    H    VAL  15           HN       VAL  15   1.445   2.243   6.543
  116    HA   VAL  15           HA       VAL  15   3.110   4.453   7.158
  117    HB   VAL  15           HB       VAL  15   3.550   2.251   5.732
  118   1HG1  VAL  15          HG11      VAL  15   2.382   4.088   3.766
  119   2HG1  VAL  15          HG12      VAL  15   2.600   2.344   3.706
  120   3HG1  VAL  15          HG13      VAL  15   3.940   3.411   3.309
  121   1HG2  VAL  15          HG21      VAL  15   5.159   3.931   6.597
  122   2HG2  VAL  15          HG22      VAL  15   4.949   4.834   5.094
  123   3HG2  VAL  15          HG23      VAL  15   5.617   3.196   5.061
  124    H    LEU  16           HN       LEU  16   0.312   3.980   5.139
  125    HA   LEU  16           HA       LEU  16   0.512   6.269   3.534
  126   1HB   LEU  16          HB2       LEU  16  -1.776   4.582   4.479
  127   2HB   LEU  16          HB1       LEU  16  -2.098   6.073   3.617
  128    HG   LEU  16           HG       LEU  16  -2.179   4.328   2.014
  129   1HD1  LEU  16          HD11      LEU  16   0.574   5.503   1.723
  130   2HD1  LEU  16          HD12      LEU  16  -0.911   6.398   1.399
  131   3HD1  LEU  16          HD13      LEU  16  -0.517   4.968   0.445
  132   1HD2  LEU  16          HD21      LEU  16  -0.962   2.671   3.405
  133   2HD2  LEU  16          HD22      LEU  16   0.549   3.438   2.921
  134   3HD2  LEU  16          HD23      LEU  16  -0.480   2.671   1.710
  135    H    LYS  17           HN       LYS  17  -0.723   5.777   6.797
  136    HA   LYS  17           HA       LYS  17  -2.111   8.039   7.357
  137   1HB   LYS  17          HB2       LYS  17  -1.638   6.286   9.014
  138   2HB   LYS  17          HB1       LYS  17   0.034   6.822   9.108
  139   1HG   LYS  17          HG2       LYS  17  -1.195   9.129   9.683
  140   2HG   LYS  17          HG1       LYS  17  -2.405   7.993  10.283
  141   1HD   LYS  17          HD2       LYS  17  -0.858   8.594  12.057
  142   2HD   LYS  17          HD1       LYS  17  -0.675   6.889  11.636
  143   1HE   LYS  17          HE2       LYS  17   1.407   7.182  10.786
  144   2HE   LYS  17          HE1       LYS  17   1.051   8.802  10.188
  145   1HZ   LYS  17          HZ1       LYS  17   2.374   9.387  11.894
  146   2HZ   LYS  17          HZ2       LYS  17   2.094   7.965  12.767
  147   3HZ   LYS  17          HZ3       LYS  17   0.960   9.219  12.809
  148    H    ASN  18           HN       ASN  18   1.392   7.741   7.129
  149    HA   ASN  18           HA       ASN  18   1.951  10.465   7.813
  150   1HB   ASN  18          HB2       ASN  18   3.462   8.103   6.969
  151   2HB   ASN  18          HB1       ASN  18   4.093   9.592   6.272
  152   1HD2  ASN  18          HD21      ASN  18   3.059   8.173   9.345
  153   2HD2  ASN  18          HD22      ASN  18   4.212   9.011  10.320
  154    H    LEU  19           HN       LEU  19   1.635   8.653   4.820
  155    HA   LEU  19           HA       LEU  19   2.347  10.520   2.942
  156   1HB   LEU  19          HB2       LEU  19   1.902   8.648   1.816
  157   2HB   LEU  19          HB1       LEU  19   0.816   8.071   3.055
  158    HG   LEU  19           HG       LEU  19  -0.208  10.135   1.168
  159   1HD1  LEU  19          HD11      LEU  19  -0.925   7.949  -0.167
  160   2HD1  LEU  19          HD12      LEU  19   0.637   7.394   0.437
  161   3HD1  LEU  19          HD13      LEU  19   0.539   8.848  -0.545
  162   1HD2  LEU  19          HD21      LEU  19  -1.883   9.605   2.595
  163   2HD2  LEU  19          HD22      LEU  19  -1.257   7.985   2.904
  164   3HD2  LEU  19          HD23      LEU  19  -2.131   8.322   1.413
  165    H    HIS  20           HN       HIS  20  -0.814  10.140   4.506
  166    HA   HIS  20           HA       HIS  20  -2.340  11.908   3.069
  167   1HB   HIS  20          HB2       HIS  20  -2.335  11.401   6.048
  168   2HB   HIS  20          HB1       HIS  20  -3.580  12.330   5.227
  169    HD1  HIS  20           HD1      HIS  20  -5.398  11.030   4.017
  170    HD2  HIS  20           HD2      HIS  20  -2.381   8.613   5.526
  171    HE1  HIS  20           HE1      HIS  20  -6.274   8.680   3.852
  172    HE2  HIS  20           HE2      HIS  20  -4.457   7.241   4.836
  173    H    LYS  21           HN       LYS  21   0.151  12.664   5.409
  174    HA   LYS  21           HA       LYS  21  -0.569  15.486   5.404
  175   1HB   LYS  21          HB2       LYS  21   1.749  14.241   6.856
  176   2HB   LYS  21          HB1       LYS  21   0.901  15.737   7.231
  177   1HG   LYS  21          HG2       LYS  21  -0.302  12.987   7.411
  178   2HG   LYS  21          HG1       LYS  21   0.363  13.892   8.773
  179   1HD   LYS  21          HD2       LYS  21  -1.868  14.432   8.953
  180   2HD   LYS  21          HD1       LYS  21  -1.289  15.756   7.941
  181   1HE   LYS  21          HE2       LYS  21  -2.333  14.953   6.055
  182   2HE   LYS  21          HE1       LYS  21  -2.260  13.282   6.608
  183   1HZ   LYS  21          HZ1       LYS  21  -4.437  13.636   6.974
  184   2HZ   LYS  21          HZ2       LYS  21  -4.271  15.313   7.119
  185   3HZ   LYS  21          HZ3       LYS  21  -3.890  14.309   8.427
  186    H    ASN  22           HN       ASN  22   1.470  13.503   3.572
  187    HA   ASN  22           HA       ASN  22   3.035  15.876   2.802
  188   1HB   ASN  22          HB2       ASN  22   3.962  13.058   3.237
  189   2HB   ASN  22          HB1       ASN  22   4.851  14.148   2.180
  190   1HD2  ASN  22          HD21      ASN  22   6.498  15.062   3.143
  191   2HD2  ASN  22          HD22      ASN  22   6.582  15.536   4.802
  192    H    TRP  23           HN       TRP  23   0.665  13.918   1.741
  193    HA   TRP  23           HA       TRP  23   1.680  13.338  -0.879
  194   1HB   TRP  23          HB2       TRP  23  -0.129  12.031  -1.082
  195   2HB   TRP  23          HB1       TRP  23  -0.396  12.358   0.622
  196    HD1  TRP  23           HD1      TRP  23  -2.692  13.269   1.178
  197    HE1  TRP  23           HE1      TRP  23  -4.610  14.371  -0.099
  198    HE3  TRP  23           HE3      TRP  23  -0.431  13.652  -3.330
  199    HZ2  TRP  23           HZ2      TRP  23  -5.103  15.271  -2.762
  200    HZ3  TRP  23           HZ3      TRP  23  -1.667  14.602  -5.199
  201    HH2  TRP  23           HH2      TRP  23  -3.961  15.413  -4.936
  202    H    HIS  24           HN       HIS  24  -0.776  15.622   0.354
  203    HA   HIS  24           HA       HIS  24   0.079  17.787  -1.166
  204   1HB   HIS  24          HB2       HIS  24  -0.706  16.311  -3.067
  205   2HB   HIS  24          HB1       HIS  24  -2.337  16.505  -2.438
  206    HD1  HIS  24           HD1      HIS  24  -1.877  17.506  -5.217
  207    HD2  HIS  24           HD2      HIS  24  -1.232  19.867  -1.859
  208    HE1  HIS  24           HE1      HIS  24  -2.029  19.883  -6.027
  209    HE2  HIS  24           HE2      HIS  24  -1.536  21.291  -3.997
  210    H    GLY  25           HN       GLY  25  -0.576  17.858   1.320
  211   1HA   GLY  25          HA2       GLY  25  -1.911  19.705   2.281
  212   2HA   GLY  25          HA1       GLY  25  -3.284  19.044   1.407
  213    H    GLY  26           HN       GLY  26  -4.574  17.622   2.434
  214   1HA   GLY  26          HA2       GLY  26  -3.538  16.428   4.919
  215   2HA   GLY  26          HA1       GLY  26  -5.160  17.097   4.798
  216    H    LYS  27           HN       LYS  27  -6.211  15.229   5.266
  217    HA   LYS  27           HA       LYS  27  -5.740  12.877   3.611
  218   1HB   LYS  27          HB2       LYS  27  -5.925  12.445   5.967
  219   2HB   LYS  27          HB1       LYS  27  -7.452  13.312   6.057
  220   1HG   LYS  27          HG2       LYS  27  -8.646  11.570   5.269
  221   2HG   LYS  27          HG1       LYS  27  -7.364  11.043   4.178
  222   1HD   LYS  27          HD2       LYS  27  -7.460   9.339   5.766
  223   2HD   LYS  27          HD1       LYS  27  -6.121  10.345   6.325
  224   1HE   LYS  27          HE2       LYS  27  -7.413   9.858   8.241
  225   2HE   LYS  27          HE1       LYS  27  -7.794  11.523   7.807
  226   1HZ   LYS  27          HZ1       LYS  27  -9.661   9.769   8.347
  227   2HZ   LYS  27          HZ2       LYS  27  -9.489   9.413   6.702
  228   3HZ   LYS  27          HZ3       LYS  27  -9.896  10.981   7.189
  229    H    ASP  28           HN       ASP  28  -7.763  15.579   3.599
  230    HA   ASP  28           HA       ASP  28 -10.234  14.640   2.861
  231   1HB   ASP  28          HB2       ASP  28 -10.280  16.778   1.355
  232   2HB   ASP  28          HB1       ASP  28 -10.172  16.942   3.104
  233    H    ASN  29           HN       ASN  29  -7.791  15.658   0.450
  234    HA   ASN  29           HA       ASN  29  -9.193  14.280  -1.633
  235   1HB   ASN  29          HB2       ASN  29  -6.579  15.759  -1.497
  236   2HB   ASN  29          HB1       ASN  29  -7.035  14.854  -2.937
  237   1HD2  ASN  29          HD21      ASN  29  -7.659  17.629  -0.977
  238   2HD2  ASN  29          HD22      ASN  29  -8.746  18.416  -2.066
  239    H    LEU  30           HN       LEU  30  -6.648  13.461   0.575
  240    HA   LEU  30           HA       LEU  30  -5.613  11.272  -0.945
  241   1HB   LEU  30          HB2       LEU  30  -4.500  12.549   1.002
  242   2HB   LEU  30          HB1       LEU  30  -5.450  11.522   2.043
  243    HG   LEU  30           HG       LEU  30  -3.095  10.762   1.698
  244   1HD1  LEU  30          HD11      LEU  30  -4.412   8.466   0.623
  245   2HD1  LEU  30          HD12      LEU  30  -5.474   9.285   1.766
  246   3HD1  LEU  30          HD13      LEU  30  -3.868   8.775   2.269
  247   1HD2  LEU  30          HD21      LEU  30  -2.598   9.540  -0.412
  248   2HD2  LEU  30          HD22      LEU  30  -2.736  11.284  -0.618
  249   3HD2  LEU  30          HD23      LEU  30  -4.062  10.239  -1.108
  250    H    HIS  31           HN       HIS  31  -8.239  11.744   1.300
  251    HA   HIS  31           HA       HIS  31  -8.745   9.214   2.226
  252   1HB   HIS  31          HB2       HIS  31 -10.063  11.423   2.582
  253   2HB   HIS  31          HB1       HIS  31 -10.996  10.913   1.180
  254    HD1  HIS  31           HD1      HIS  31  -9.997   9.511   4.575
  255    HD2  HIS  31           HD2      HIS  31 -13.098   9.331   1.814
  256    HE1  HIS  31           HE1      HIS  31 -11.782   8.108   5.657
  257    HE2  HIS  31           HE2      HIS  31 -13.618   7.954   3.941
  258    H    ASP  32           HN       ASP  32  -9.874  10.590  -0.860
  259    HA   ASP  32           HA       ASP  32 -11.082   8.203  -1.774
  260   1HB   ASP  32          HB2       ASP  32 -10.755  10.859  -2.722
  261   2HB   ASP  32          HB1       ASP  32 -10.175   9.781  -3.988
  262    H    VAL  33           HN       VAL  33  -7.819   9.255  -1.654
  263    HA   VAL  33           HA       VAL  33  -6.898   7.392  -3.669
  264    HB   VAL  33           HB       VAL  33  -5.738   9.617  -2.144
  265   1HG1  VAL  33          HG11      VAL  33  -4.218   7.996  -1.278
  266   2HG1  VAL  33          HG12      VAL  33  -3.396   8.840  -2.593
  267   3HG1  VAL  33          HG13      VAL  33  -4.058   7.226  -2.857
  268   1HG2  VAL  33          HG21      VAL  33  -4.596   9.993  -4.264
  269   2HG2  VAL  33          HG22      VAL  33  -6.331   9.760  -4.491
  270   3HG2  VAL  33          HG23      VAL  33  -5.208   8.448  -4.858
  271    H    ASP  34           HN       ASP  34  -6.114   7.849  -0.187
  272    HA   ASP  34           HA       ASP  34  -4.931   5.319   0.089
  273   1HB   ASP  34          HB2       ASP  34  -4.374   6.718   1.846
  274   2HB   ASP  34          HB1       ASP  34  -6.019   7.330   2.020
  275    H    ASN  35           HN       ASN  35  -8.256   6.320  -0.030
  276    HA   ASN  35           HA       ASN  35  -9.490   4.158   1.261
  277   1HB   ASN  35          HB2       ASN  35 -10.294   6.117  -0.824
  278   2HB   ASN  35          HB1       ASN  35 -11.221   4.622  -0.780
  279   1HD2  ASN  35          HD21      ASN  35 -11.321   4.062   1.875
  280   2HD2  ASN  35          HD22      ASN  35 -12.191   5.299   2.710
  281    H    HIS  36           HN       HIS  36  -8.169   4.588  -1.953
  282    HA   HIS  36           HA       HIS  36  -8.935   2.076  -3.020
  283   1HB   HIS  36          HB2       HIS  36  -7.440   4.361  -3.879
  284   2HB   HIS  36          HB1       HIS  36  -6.440   2.934  -4.139
  285    HD1  HIS  36           HD1      HIS  36  -9.060   1.117  -4.772
  286    HD2  HIS  36           HD2      HIS  36  -7.900   4.648  -6.629
  287    HE1  HIS  36           HE1      HIS  36 -10.150   1.074  -7.038
  288    HE2  HIS  36           HE2      HIS  36  -9.367   3.182  -8.175
  289    H    LEU  37           HN       LEU  37  -6.056   3.330  -1.406
  290    HA   LEU  37           HA       LEU  37  -4.434   1.072  -1.442
  291   1HB   LEU  37          HB2       LEU  37  -3.995   3.454  -0.520
  292   2HB   LEU  37          HB1       LEU  37  -4.651   2.837   0.978
  293    HG   LEU  37           HG       LEU  37  -2.461   2.471   1.391
  294   1HD1  LEU  37          HD11      LEU  37  -3.491   0.261   1.418
  295   2HD1  LEU  37          HD12      LEU  37  -1.796   0.176   0.945
  296   3HD1  LEU  37          HD13      LEU  37  -3.058   0.036  -0.277
  297   1HD2  LEU  37          HD21      LEU  37  -1.518   3.471  -0.523
  298   2HD2  LEU  37          HD22      LEU  37  -2.114   2.190  -1.579
  299   3HD2  LEU  37          HD23      LEU  37  -0.816   1.856  -0.433
  300    H    GLN  38           HN       GLN  38  -6.299   2.088   1.418
  301    HA   GLN  38           HA       GLN  38  -6.132  -0.202   2.895
  302   1HB   GLN  38          HB2       GLN  38  -7.737   2.154   2.921
  303   2HB   GLN  38          HB1       GLN  38  -8.794   0.779   3.212
  304   1HG   GLN  38          HG2       GLN  38  -7.400   0.070   5.065
  305   2HG   GLN  38          HG1       GLN  38  -6.285   1.400   4.754
  306   1HE2  GLN  38          HE21      GLN  38  -9.076   0.406   6.369
  307   2HE2  GLN  38          HE22      GLN  38  -9.562   1.941   6.994
  308    H    ASN  39           HN       ASN  39  -8.505   0.514   0.359
  309    HA   ASN  39           HA       ASN  39 -10.116  -1.741   0.622
  310   1HB   ASN  39          HB2       ASN  39  -9.577   0.250  -1.458
  311   2HB   ASN  39          HB1       ASN  39 -10.031  -1.321  -2.112
  312   1HD2  ASN  39          HD21      ASN  39 -12.026  -0.775  -2.833
  313   2HD2  ASN  39          HD22      ASN  39 -13.332  -0.316  -1.799
  314    H    VAL  40           HN       VAL  40  -6.910  -1.398  -0.619
  315    HA   VAL  40           HA       VAL  40  -6.820  -3.865  -2.064
  316    HB   VAL  40           HB       VAL  40  -4.496  -2.293  -0.940
  317   1HG1  VAL  40          HG11      VAL  40  -3.287  -3.965  -1.763
  318   2HG1  VAL  40          HG12      VAL  40  -3.808  -3.468  -3.373
  319   3HG1  VAL  40          HG13      VAL  40  -4.705  -4.708  -2.500
  320   1HG2  VAL  40          HG21      VAL  40  -5.271  -0.653  -2.269
  321   2HG2  VAL  40          HG22      VAL  40  -6.287  -1.748  -3.208
  322   3HG2  VAL  40          HG23      VAL  40  -4.563  -1.627  -3.557
  323    H    ILE  41           HN       ILE  41  -5.335  -2.792   0.993
  324    HA   ILE  41           HA       ILE  41  -4.217  -5.106   1.867
  325    HB   ILE  41           HB       ILE  41  -4.196  -2.860   3.007
  326   1HG1  ILE  41          HG12      ILE  41  -4.486  -4.331   5.364
  327   2HG1  ILE  41          HG11      ILE  41  -4.050  -5.519   4.140
  328   1HG2  ILE  41          HG21      ILE  41  -6.014  -3.129   5.034
  329   2HG2  ILE  41          HG22      ILE  41  -6.937  -3.618   3.620
  330   3HG2  ILE  41          HG23      ILE  41  -6.158  -2.043   3.655
  331   1HD1  ILE  41          HD11      ILE  41  -2.010  -4.498   3.704
  332   2HD1  ILE  41          HD12      ILE  41  -2.178  -4.377   5.456
  333   3HD1  ILE  41          HD13      ILE  41  -2.509  -2.974   4.439
  334    H    GLU  42           HN       GLU  42  -7.627  -4.292   1.944
  335    HA   GLU  42           HA       GLU  42  -8.363  -6.583   3.505
  336   1HB   GLU  42          HB2       GLU  42 -10.652  -5.935   3.083
  337   2HB   GLU  42          HB1       GLU  42  -9.715  -4.496   3.460
  338   1HG   GLU  42          HG2       GLU  42  -9.851  -3.675   1.327
  339   2HG   GLU  42          HG1       GLU  42 -10.090  -5.268   0.611
  340    H    ASP  43           HN       ASP  43  -7.991  -5.884   0.128
  341    HA   ASP  43           HA       ASP  43  -9.287  -8.342  -0.672
  342   1HB   ASP  43          HB2       ASP  43  -8.128  -5.987  -2.052
  343   2HB   ASP  43          HB1       ASP  43  -8.034  -7.515  -2.921
  344    H    ILE  44           HN       ILE  44  -6.104  -7.165   0.043
  345    HA   ILE  44           HA       ILE  44  -4.805  -9.467  -1.134
  346    HB   ILE  44           HB       ILE  44  -3.528  -7.361   0.600
  347   1HG1  ILE  44          HG12      ILE  44  -4.657  -6.290  -1.304
  348   2HG1  ILE  44          HG11      ILE  44  -2.909  -6.210  -1.479
  349   1HG2  ILE  44          HG21      ILE  44  -2.567  -9.625  -1.028
  350   2HG2  ILE  44          HG22      ILE  44  -1.880  -8.894   0.424
  351   3HG2  ILE  44          HG23      ILE  44  -1.639  -8.129  -1.147
  352   1HD1  ILE  44          HD11      ILE  44  -3.234  -8.368  -2.891
  353   2HD1  ILE  44          HD12      ILE  44  -3.576  -6.787  -3.594
  354   3HD1  ILE  44          HD13      ILE  44  -4.899  -7.802  -3.018
  355    H    HIS  45           HN       HIS  45  -5.275  -8.131   2.130
  356    HA   HIS  45           HA       HIS  45  -4.013 -10.303   3.443
  357   1HB   HIS  45          HB2       HIS  45  -4.398  -9.153   5.374
  358   2HB   HIS  45          HB1       HIS  45  -4.702  -7.838   4.247
  359    HD1  HIS  45           HD1      HIS  45  -6.014  -8.696   7.217
  360    HD2  HIS  45           HD2      HIS  45  -7.778  -8.459   3.464
  361    HE1  HIS  45           HE1      HIS  45  -8.475  -8.402   7.651
  362    HE2  HIS  45           HE2      HIS  45  -9.510  -8.160   5.367
  363    H    ASP  46           HN       ASP  46  -7.244  -9.794   2.253
  364    HA   ASP  46           HA       ASP  46  -8.334 -11.997   3.800
  365   1HB   ASP  46          HB2       ASP  46  -9.655  -9.921   3.198
  366   2HB   ASP  46          HB1       ASP  46  -9.666 -10.504   1.536
  367    H    PHE  47           HN       PHE  47  -7.456 -11.255   0.473
  368    HA   PHE  47           HA       PHE  47  -8.263 -13.806  -0.553
  369   1HB   PHE  47          HB2       PHE  47  -6.537 -11.605  -1.669
  370   2HB   PHE  47          HB1       PHE  47  -6.789 -13.114  -2.530
  371    HD1  PHE  47           HD1      PHE  47  -8.005 -12.438  -4.397
  372    HD2  PHE  47           HD2      PHE  47  -9.271 -11.212  -0.523
  373    HE1  PHE  47           HE1      PHE  47 -10.089 -11.558  -5.359
  374    HE2  PHE  47           HE2      PHE  47 -11.357 -10.332  -1.479
  375    HZ   PHE  47           HZ       PHE  47 -11.769 -10.504  -3.900
  376    H    MET  48           HN       MET  48  -5.448 -12.614   1.043
  377    HA   MET  48           HA       MET  48  -3.444 -14.314   0.158
  378   1HB   MET  48          HB2       MET  48  -3.830 -12.497   2.291
  379   2HB   MET  48          HB1       MET  48  -3.258 -13.995   3.010
  380   1HG   MET  48          HG2       MET  48  -1.197 -13.483   2.422
  381   2HG   MET  48          HG1       MET  48  -1.677 -13.514   0.726
  382   1HE   MET  48          HE1       MET  48  -1.215 -11.807   3.871
  383   2HE   MET  48          HE2       MET  48  -2.054 -10.268   3.676
  384   3HE   MET  48          HE3       MET  48  -0.322 -10.372   3.365
  385    H    GLN  49           HN       GLN  49  -6.076 -14.922   2.398
  386    HA   GLN  49           HA       GLN  49  -5.087 -17.436   3.318
  387   1HB   GLN  49          HB2       GLN  49  -7.451 -15.768   3.750
  388   2HB   GLN  49          HB1       GLN  49  -7.807 -17.489   3.772
  389   1HG   GLN  49          HG2       GLN  49  -6.123 -17.831   5.494
  390   2HG   GLN  49          HG1       GLN  49  -5.726 -16.112   5.457
  391   1HE2  GLN  49          HE21      GLN  49  -6.604 -14.982   7.020
  392   2HE2  GLN  49          HE22      GLN  49  -8.101 -15.320   7.814
  393    H    GLY  50           HN       GLY  50  -6.845 -16.416   0.526
  394   1HA   GLY  50          HA2       GLY  50  -6.578 -18.451  -1.117
  395   2HA   GLY  50          HA1       GLY  50  -7.766 -19.141  -0.022
  396    H    GLY  51           HN       GLY  51  -8.692 -16.101   0.138
  397   1HA   GLY  51          HA2       GLY  51 -11.008 -16.318  -1.317
  398   2HA   GLY  51          HA1       GLY  51 -10.249 -14.782  -0.925
  399    H    GLY  52           HN       GLY  52  -7.832 -15.561  -2.519
  400   1HA   GLY  52          HA2       GLY  52  -8.101 -16.199  -5.099
  401   2HA   GLY  52          HA1       GLY  52  -8.849 -14.608  -5.070
  402    H    SER  53           HN       SER  53  -6.020 -15.834  -3.311
  403    HA   SER  53           HA       SER  53  -4.504 -13.513  -3.661
  404   1HB   SER  53          HB2       SER  53  -4.192 -15.553  -2.041
  405   2HB   SER  53          HB1       SER  53  -3.173 -16.180  -3.338
  406    HG   SER  53           HG       SER  53  -2.099 -14.868  -1.686
  407    H    GLY  54           HN       GLY  54  -4.908 -16.315  -5.698
  408   1HA   GLY  54          HA2       GLY  54  -2.691 -15.532  -7.425
  409   2HA   GLY  54          HA1       GLY  54  -3.703 -16.957  -7.611
  410    H    GLY  55           HN       GLY  55  -3.829 -13.409  -7.835
  411   1HA   GLY  55          HA2       GLY  55  -4.558 -12.959 -10.339
  412   2HA   GLY  55          HA1       GLY  55  -6.065 -13.601  -9.703
  413    H    LYS  56           HN       LYS  56  -5.264 -12.301  -7.038
  414    HA   LYS  56           HA       LYS  56  -6.548  -9.758  -7.613
  415   1HB   LYS  56          HB2       LYS  56  -6.693  -9.535  -5.157
  416   2HB   LYS  56          HB1       LYS  56  -7.400 -11.036  -5.736
  417   1HG   LYS  56          HG2       LYS  56  -6.221 -11.914  -4.033
  418   2HG   LYS  56          HG1       LYS  56  -4.909 -11.889  -5.208
  419   1HD   LYS  56          HD2       LYS  56  -4.501  -9.486  -4.286
  420   2HD   LYS  56          HD1       LYS  56  -5.427 -10.065  -2.899
  421   1HE   LYS  56          HE2       LYS  56  -3.175 -11.716  -3.950
  422   2HE   LYS  56          HE1       LYS  56  -2.816 -10.303  -2.959
  423   1HZ   LYS  56          HZ1       LYS  56  -4.750 -12.349  -2.066
  424   2HZ   LYS  56          HZ2       LYS  56  -3.910 -11.214  -1.135
  425   3HZ   LYS  56          HZ3       LYS  56  -3.090 -12.537  -1.798
  426    H    LEU  57           HN       LEU  57  -3.540 -10.914  -6.130
  427    HA   LEU  57           HA       LEU  57  -2.497  -8.395  -5.503
  428   1HB   LEU  57          HB2       LEU  57  -1.698 -10.662  -4.722
  429   2HB   LEU  57          HB1       LEU  57  -0.853 -10.794  -6.250
  430    HG   LEU  57           HG       LEU  57   0.148  -8.458  -5.493
  431   1HD1  LEU  57          HD11      LEU  57   0.092  -9.678  -2.807
  432   2HD1  LEU  57          HD12      LEU  57  -1.385  -8.875  -3.337
  433   3HD1  LEU  57          HD13      LEU  57   0.133  -7.981  -3.287
  434   1HD2  LEU  57          HD21      LEU  57   1.579 -10.251  -6.004
  435   2HD2  LEU  57          HD22      LEU  57   0.989 -11.215  -4.650
  436   3HD2  LEU  57          HD23      LEU  57   1.986  -9.791  -4.351
  437    H    GLN  58           HN       GLN  58  -3.010  -9.715  -8.586
  438    HA   GLN  58           HA       GLN  58  -0.754  -8.353  -9.785
  439   1HB   GLN  58          HB2       GLN  58  -1.642  -9.181 -11.931
  440   2HB   GLN  58          HB1       GLN  58  -1.425 -10.473 -10.759
  441   1HG   GLN  58          HG2       GLN  58  -3.469 -11.048 -11.515
  442   2HG   GLN  58          HG1       GLN  58  -3.969  -9.917 -10.263
  443   1HE2  GLN  58          HE21      GLN  58  -5.643 -10.505 -12.330
  444   2HE2  GLN  58          HE22      GLN  58  -5.803  -9.133 -13.368
  445    H    GLU  59           HN       GLU  59  -4.301  -8.066  -9.917
  446    HA   GLU  59           HA       GLU  59  -4.075  -5.498 -11.250
  447   1HB   GLU  59          HB2       GLU  59  -5.859  -7.044 -11.926
  448   2HB   GLU  59          HB1       GLU  59  -6.509  -7.018 -10.292
  449   1HG   GLU  59          HG2       GLU  59  -7.818  -5.599 -11.731
  450   2HG   GLU  59          HG1       GLU  59  -6.977  -4.625 -10.527
  451    H    MET  60           HN       MET  60  -4.709  -6.805  -8.088
  452    HA   MET  60           HA       MET  60  -5.662  -4.348  -6.962
  453   1HB   MET  60          HB2       MET  60  -6.068  -6.785  -6.146
  454   2HB   MET  60          HB1       MET  60  -4.514  -6.603  -5.346
  455   1HG   MET  60          HG2       MET  60  -5.829  -5.915  -3.654
  456   2HG   MET  60          HG1       MET  60  -5.673  -4.369  -4.488
  457   1HE   MET  60          HE1       MET  60  -7.853  -4.661  -7.046
  458   2HE   MET  60          HE2       MET  60  -7.249  -3.368  -6.008
  459   3HE   MET  60          HE3       MET  60  -8.981  -3.693  -6.095
  460    H    MET  61           HN       MET  61  -2.554  -5.897  -7.401
  461    HA   MET  61           HA       MET  61  -1.049  -4.543  -5.481
  462   1HB   MET  61          HB2       MET  61   0.167  -6.194  -6.532
  463   2HB   MET  61          HB1       MET  61  -0.427  -5.770  -8.130
  464   1HG   MET  61          HG2       MET  61   1.288  -3.765  -6.820
  465   2HG   MET  61          HG1       MET  61   2.067  -5.282  -7.264
  466   1HE   MET  61          HE1       MET  61   2.795  -5.945  -9.404
  467   2HE   MET  61          HE2       MET  61   2.327  -5.290 -10.973
  468   3HE   MET  61          HE3       MET  61   1.186  -6.268 -10.050
  469    H    LYS  62           HN       LYS  62  -1.914  -3.559  -8.780
  470    HA   LYS  62           HA       LYS  62  -0.473  -1.123  -8.740
  471   1HB   LYS  62          HB2       LYS  62  -1.358  -2.336 -10.780
  472   2HB   LYS  62          HB1       LYS  62  -2.945  -1.697 -10.372
  473   1HG   LYS  62          HG2       LYS  62  -1.207   0.500 -10.343
  474   2HG   LYS  62          HG1       LYS  62  -0.780  -0.442 -11.772
  475   1HD   LYS  62          HD2       LYS  62  -3.664  -0.144 -11.367
  476   2HD   LYS  62          HD1       LYS  62  -2.818   1.384 -11.620
  477   1HE   LYS  62          HE2       LYS  62  -3.590   0.450 -13.736
  478   2HE   LYS  62          HE1       LYS  62  -1.829   0.501 -13.671
  479   1HZ   LYS  62          HZ1       LYS  62  -2.278  -1.940 -12.731
  480   2HZ   LYS  62          HZ2       LYS  62  -2.052  -1.611 -14.375
  481   3HZ   LYS  62          HZ3       LYS  62  -3.616  -1.787 -13.757
  482    H    GLU  63           HN       GLU  63  -3.293  -2.061  -7.116
  483    HA   GLU  63           HA       GLU  63  -4.511   0.553  -7.062
  484   1HB   GLU  63          HB2       GLU  63  -5.838  -1.553  -6.977
  485   2HB   GLU  63          HB1       GLU  63  -5.162  -1.875  -5.387
  486   1HG   GLU  63          HG2       GLU  63  -6.260  -0.012  -4.439
  487   2HG   GLU  63          HG1       GLU  63  -6.690   0.629  -6.023
  488    H    PHE  64           HN       PHE  64  -2.210  -1.215  -5.144
  489    HA   PHE  64           HA       PHE  64  -2.551   0.539  -2.860
  490   1HB   PHE  64          HB2       PHE  64  -1.041  -0.862  -1.699
  491   2HB   PHE  64          HB1       PHE  64  -1.990  -1.953  -2.699
  492    HD1  PHE  64           HD1      PHE  64   1.220  -0.033  -2.845
  493    HD2  PHE  64           HD2      PHE  64  -0.907  -3.578  -3.847
  494    HE1  PHE  64           HE1      PHE  64   3.278  -0.999  -3.783
  495    HE2  PHE  64           HE2      PHE  64   1.147  -4.549  -4.789
  496    HZ   PHE  64           HZ       PHE  64   3.242  -3.259  -4.759
  497    H    GLN  65           HN       GLN  65  -0.349   0.056  -5.531
  498    HA   GLN  65           HA       GLN  65   1.567   1.984  -4.595
  499   1HB   GLN  65          HB2       GLN  65   2.680   1.624  -6.732
  500   2HB   GLN  65          HB1       GLN  65   2.249   0.084  -6.001
  501   1HG   GLN  65          HG2       GLN  65   1.163  -0.499  -7.828
  502   2HG   GLN  65          HG1       GLN  65   0.100   0.898  -7.663
  503   1HE2  GLN  65          HE21      GLN  65   0.421   2.673  -8.933
  504   2HE2  GLN  65          HE22      GLN  65   1.564   2.726 -10.227
  505    H    GLN  66           HN       GLN  66  -1.231   1.979  -6.696
  506    HA   GLN  66           HA       GLN  66  -0.787   4.370  -8.083
  507   1HB   GLN  66          HB2       GLN  66  -2.571   2.825  -8.701
  508   2HB   GLN  66          HB1       GLN  66  -3.398   3.134  -7.182
  509   1HG   GLN  66          HG2       GLN  66  -3.034   5.642  -8.354
  510   2HG   GLN  66          HG1       GLN  66  -3.524   4.571  -9.666
  511   1HE2  GLN  66          HE21      GLN  66  -4.594   6.526  -7.214
  512   2HE2  GLN  66          HE22      GLN  66  -6.216   5.947  -7.085
  513    H    VAL  67           HN       VAL  67  -2.018   3.741  -4.869
  514    HA   VAL  67           HA       VAL  67  -3.075   6.251  -4.237
  515    HB   VAL  67           HB       VAL  67  -1.694   4.221  -2.466
  516   1HG1  VAL  67          HG11      VAL  67  -2.143   5.418  -0.622
  517   2HG1  VAL  67          HG12      VAL  67  -3.686   5.992  -1.250
  518   3HG1  VAL  67          HG13      VAL  67  -2.191   6.792  -1.726
  519   1HG2  VAL  67          HG21      VAL  67  -4.166   4.176  -3.826
  520   2HG2  VAL  67          HG22      VAL  67  -4.518   4.377  -2.111
  521   3HG2  VAL  67          HG23      VAL  67  -3.543   3.015  -2.655
  522    H    LEU  68           HN       LEU  68   0.218   4.998  -3.956
  523    HA   LEU  68           HA       LEU  68   1.328   7.374  -2.822
  524   1HB   LEU  68          HB2       LEU  68   2.317   4.796  -3.863
  525   2HB   LEU  68          HB1       LEU  68   3.450   6.136  -3.926
  526    HG   LEU  68           HG       LEU  68   2.557   6.413  -1.395
  527   1HD1  LEU  68          HD11      LEU  68   1.450   4.637  -0.659
  528   2HD1  LEU  68          HD12      LEU  68   2.899   3.669  -0.931
  529   3HD1  LEU  68          HD13      LEU  68   1.682   3.803  -2.198
  530   1HD2  LEU  68          HD21      LEU  68   4.628   4.524  -1.210
  531   2HD2  LEU  68          HD22      LEU  68   4.770   6.280  -1.212
  532   3HD2  LEU  68          HD23      LEU  68   4.892   5.386  -2.726
  533    H    ASP  69           HN       ASP  69   0.168   6.668  -5.905
  534    HA   ASP  69           HA       ASP  69   2.041   8.125  -7.488
  535   1HB   ASP  69          HB2       ASP  69   0.320   6.374  -8.278
  536   2HB   ASP  69          HB1       ASP  69  -0.854   7.684  -8.206
  537    H    GLU  70           HN       GLU  70  -1.291   8.869  -6.415
  538    HA   GLU  70           HA       GLU  70  -1.384  11.550  -7.191
  539   1HB   GLU  70          HB2       GLU  70  -3.160   9.931  -6.018
  540   2HB   GLU  70          HB1       GLU  70  -2.582  10.739  -4.563
  541   1HG   GLU  70          HG2       GLU  70  -4.643  11.701  -5.611
  542   2HG   GLU  70          HG1       GLU  70  -3.334  12.835  -5.305
  543    H    LEU  71           HN       LEU  71  -0.090   9.972  -4.405
  544    HA   LEU  71           HA       LEU  71   0.565  12.248  -2.866
  545   1HB   LEU  71          HB2       LEU  71   0.250  10.265  -1.724
  546   2HB   LEU  71          HB1       LEU  71   1.194   9.340  -2.866
  547    HG   LEU  71           HG       LEU  71   3.084  11.010  -1.773
  548   1HD1  LEU  71          HD11      LEU  71   0.841  10.814   0.043
  549   2HD1  LEU  71          HD12      LEU  71   2.282  11.822   0.141
  550   3HD1  LEU  71          HD13      LEU  71   2.319  10.163   0.746
  551   1HD2  LEU  71          HD21      LEU  71   3.621   8.783  -2.119
  552   2HD2  LEU  71          HD22      LEU  71   2.194   8.205  -1.264
  553   3HD2  LEU  71          HD23      LEU  71   3.543   8.887  -0.360
  554    H    ASN  72           HN       ASN  72   2.811   9.902  -4.328
  555    HA   ASN  72           HA       ASN  72   5.126  11.346  -4.078
  556   1HB   ASN  72          HB2       ASN  72   4.759   8.942  -4.935
  557   2HB   ASN  72          HB1       ASN  72   4.607   9.680  -6.527
  558   1HD2  ASN  72          HD21      ASN  72   6.400   9.662  -7.650
  559   2HD2  ASN  72          HD22      ASN  72   8.005   9.745  -7.020
  560    H    ASN  73           HN       ASN  73   2.557  11.876  -6.350
  561    HA   ASN  73           HA       ASN  73   4.165  13.547  -8.078
  562   1HB   ASN  73          HB2       ASN  73   2.148  12.060  -8.751
  563   2HB   ASN  73          HB1       ASN  73   1.169  13.402  -8.167
  564   1HD2  ASN  73          HD21      ASN  73   0.366  13.726 -10.260
  565   2HD2  ASN  73          HD22      ASN  73   1.314  14.499 -11.481
  566    H    HIS  74           HN       HIS  74   3.050  14.089  -5.073
  567    HA   HIS  74           HA       HIS  74   2.976  16.966  -5.509
  568   1HB   HIS  74          HB2       HIS  74   0.638  15.393  -4.470
  569   2HB   HIS  74          HB1       HIS  74   0.884  17.070  -3.996
  570    HD1  HIS  74           HD1      HIS  74   0.962  18.819  -6.061
  571    HD2  HIS  74           HD2      HIS  74  -0.631  15.065  -6.857
  572    HE1  HIS  74           HE1      HIS  74  -0.338  19.080  -8.199
  573    HE2  HIS  74           HE2      HIS  74  -1.220  16.775  -8.706
  574    H    LEU  75           HN       LEU  75   4.819  15.140  -4.164
  575    HA   LEU  75           HA       LEU  75   4.616  15.114  -1.391
  576   1HB   LEU  75          HB2       LEU  75   6.728  14.907  -3.347
  577   2HB   LEU  75          HB1       LEU  75   7.272  15.835  -1.964
  578    HG   LEU  75           HG       LEU  75   7.878  13.657  -1.462
  579   1HD1  LEU  75          HD11      LEU  75   5.212  13.666  -0.121
  580   2HD1  LEU  75          HD12      LEU  75   6.413  14.900   0.266
  581   3HD1  LEU  75          HD13      LEU  75   6.785  13.195   0.522
  582   1HD2  LEU  75          HD21      LEU  75   5.142  12.644  -2.171
  583   2HD2  LEU  75          HD22      LEU  75   6.594  11.702  -1.832
  584   3HD2  LEU  75          HD23      LEU  75   6.492  12.664  -3.306
  585    H    GLN  76           HN       GLN  76   3.449  17.011  -0.915
  586    HA   GLN  76           HA       GLN  76   4.634  19.581  -1.390
  587   1HB   GLN  76          HB2       GLN  76   2.119  18.963  -1.343
  588   2HB   GLN  76          HB1       GLN  76   2.271  19.117   0.402
  589   1HG   GLN  76          HG2       GLN  76   2.497  21.367   0.328
  590   2HG   GLN  76          HG1       GLN  76   3.317  21.346  -1.233
  591   1HE2  GLN  76          HE21      GLN  76   0.208  21.139   0.367
  592   2HE2  GLN  76          HE22      GLN  76  -0.742  21.598  -1.001
  593    H    GLY  77           HN       GLY  77   4.254  17.375   1.316
  594   1HA   GLY  77          HA2       GLY  77   5.294  19.313   3.217
  595   2HA   GLY  77          HA1       GLY  77   4.776  17.674   3.577
  596    H    GLY  78           HN       GLY  78   6.544  16.796   1.217
  597   1HA   GLY  78          HA2       GLY  78   9.060  17.072   1.047
  598   2HA   GLY  78          HA1       GLY  78   9.043  16.798   2.783
  599    H    LYS  79           HN       LYS  79   9.915  15.346   0.129
  600    HA   LYS  79           HA       LYS  79   8.639  12.910  -0.085
  601   1HB   LYS  79          HB2       LYS  79  10.637  12.071  -1.127
  602   2HB   LYS  79          HB1       LYS  79  10.410  13.745  -1.611
  603   1HG   LYS  79          HG2       LYS  79  12.025  13.666   0.742
  604   2HG   LYS  79          HG1       LYS  79  12.686  12.554  -0.459
  605   1HD   LYS  79          HD2       LYS  79  13.698  14.413  -1.242
  606   2HD   LYS  79          HD1       LYS  79  12.138  14.692  -2.019
  607   1HE   LYS  79          HE2       LYS  79  12.066  16.642  -0.950
  608   2HE   LYS  79          HE1       LYS  79  11.834  15.729   0.541
  609   1HZ   LYS  79          HZ1       LYS  79  14.046  15.920   1.105
  610   2HZ   LYS  79          HZ2       LYS  79  13.753  17.422   0.383
  611   3HZ   LYS  79          HZ3       LYS  79  14.553  16.210  -0.484
  612    H    HIS  80           HN       HIS  80  10.564  14.029   2.541
  613    HA   HIS  80           HA       HIS  80  11.694  11.748   3.552
  614   1HB   HIS  80          HB2       HIS  80  11.223  14.311   4.505
  615   2HB   HIS  80          HB1       HIS  80  10.377  13.283   5.657
  616    HD1  HIS  80           HD1      HIS  80  12.028  13.642   7.561
  617    HD2  HIS  80           HD2      HIS  80  13.800  12.176   4.100
  618    HE1  HIS  80           HE1      HIS  80  14.358  12.972   8.230
  619    HE2  HIS  80           HE2      HIS  80  15.384  12.013   6.137
  620    H    THR  81           HN       THR  81   8.307  12.721   3.750
  621    HA   THR  81           HA       THR  81   7.512  10.587   5.465
  622    HB   THR  81           HB       THR  81   6.127  12.605   3.761
  623    HG1  THR  81           HG1      THR  81   6.564  13.134   5.883
  624   1HG2  THR  81          HG21      THR  81   4.938  10.001   4.460
  625   2HG2  THR  81          HG22      THR  81   4.512  11.157   3.188
  626   3HG2  THR  81          HG23      THR  81   3.974  11.431   4.849
  627    H    VAL  82           HN       VAL  82   6.480  11.115   2.127
  628    HA   VAL  82           HA       VAL  82   5.697   8.556   1.526
  629    HB   VAL  82           HB       VAL  82   7.098  10.384  -0.430
  630   1HG1  VAL  82          HG11      VAL  82   5.185   8.085  -0.715
  631   2HG1  VAL  82          HG12      VAL  82   6.774   8.290  -1.448
  632   3HG1  VAL  82          HG13      VAL  82   5.416   9.274  -1.996
  633   1HG2  VAL  82          HG21      VAL  82   5.444  11.719   0.594
  634   2HG2  VAL  82          HG22      VAL  82   4.278  10.400   0.607
  635   3HG2  VAL  82          HG23      VAL  82   4.738  11.155  -0.917
  636    H    HIS  83           HN       HIS  83   8.994   9.882   1.469
  637    HA   HIS  83           HA       HIS  83  10.285   7.834   0.115
  638   1HB   HIS  83          HB2       HIS  83  11.423   9.896   0.858
  639   2HB   HIS  83          HB1       HIS  83  11.304   9.357   2.530
  640    HD1  HIS  83           HD1      HIS  83  12.915   7.479   3.287
  641    HD2  HIS  83           HD2      HIS  83  13.421   8.668  -0.663
  642    HE1  HIS  83           HE1      HIS  83  15.103   6.477   2.558
  643    HE2  HIS  83           HE2      HIS  83  15.436   7.292   0.198
  644    H    HIS  84           HN       HIS  84   9.266   8.055   3.473
  645    HA   HIS  84           HA       HIS  84  10.330   5.488   4.196
  646   1HB   HIS  84          HB2       HIS  84   9.990   7.366   5.821
  647   2HB   HIS  84          HB1       HIS  84   8.253   7.137   5.651
  648    HD1  HIS  84           HD1      HIS  84  11.186   5.893   7.461
  649    HD2  HIS  84           HD2      HIS  84   7.323   4.587   6.661
  650    HE1  HIS  84           HE1      HIS  84  10.750   4.037   9.102
  651    HE2  HIS  84           HE2      HIS  84   8.444   3.197   8.532
  652    H    ILE  85           HN       ILE  85   7.340   6.717   2.906
  653    HA   ILE  85           HA       ILE  85   5.929   4.256   3.454
  654    HB   ILE  85           HB       ILE  85   4.018   5.359   3.145
  655   1HG1  ILE  85          HG12      ILE  85   4.812   7.118   0.894
  656   2HG1  ILE  85          HG11      ILE  85   4.611   5.400   0.580
  657   1HG2  ILE  85          HG21      ILE  85   5.017   6.974   4.486
  658   2HG2  ILE  85          HG22      ILE  85   4.135   7.844   3.229
  659   3HG2  ILE  85          HG23      ILE  85   5.883   7.673   3.124
  660   1HD1  ILE  85          HD11      ILE  85   2.617   7.188   0.412
  661   2HD1  ILE  85          HD12      ILE  85   2.433   6.677   2.088
  662   3HD1  ILE  85          HD13      ILE  85   2.373   5.486   0.793
  663    H    GLU  86           HN       GLU  86   7.537   5.775   0.746
  664    HA   GLU  86           HA       GLU  86   6.548   3.885  -1.184
  665   1HB   GLU  86          HB2       GLU  86   8.401   4.857  -2.626
  666   2HB   GLU  86          HB1       GLU  86   7.171   5.985  -2.085
  667   1HG   GLU  86          HG2       GLU  86   8.698   7.278  -1.179
  668   2HG   GLU  86          HG1       GLU  86   9.281   5.950  -0.180
  669    H    GLN  87           HN       GLN  87   9.568   4.315   0.650
  670    HA   GLN  87           HA       GLN  87  10.926   2.102  -0.448
  671   1HB   GLN  87          HB2       GLN  87  11.206   3.800   1.961
  672   2HB   GLN  87          HB1       GLN  87  11.899   2.191   2.090
  673   1HG   GLN  87          HG2       GLN  87  13.519   3.885   1.351
  674   2HG   GLN  87          HG1       GLN  87  13.303   2.581   0.184
  675   1HE2  GLN  87          HE21      GLN  87  12.683   3.058  -1.834
  676   2HE2  GLN  87          HE22      GLN  87  12.283   4.643  -2.394
  677    H    ASN  88           HN       ASN  88   8.461   2.467   1.958
  678    HA   ASN  88           HA       ASN  88   8.638  -0.249   2.921
  679   1HB   ASN  88          HB2       ASN  88   7.057   2.176   3.578
  680   2HB   ASN  88          HB1       ASN  88   6.265   0.632   3.873
  681   1HD2  ASN  88          HD21      ASN  88   9.375   2.249   4.407
  682   2HD2  ASN  88          HD22      ASN  88   9.632   1.605   5.989
  683    H    ILE  89           HN       ILE  89   6.024   1.637   1.366
  684    HA   ILE  89           HA       ILE  89   4.424  -0.520   0.691
  685    HB   ILE  89           HB       ILE  89   4.448   2.278   0.062
  686   1HG1  ILE  89          HG12      ILE  89   2.026   0.840  -0.588
  687   2HG1  ILE  89          HG11      ILE  89   2.721   0.283   0.934
  688   1HG2  ILE  89          HG21      ILE  89   5.003   1.722  -2.218
  689   2HG2  ILE  89          HG22      ILE  89   3.302   2.179  -2.134
  690   3HG2  ILE  89          HG23      ILE  89   3.752   0.479  -2.256
  691   1HD1  ILE  89          HD11      ILE  89   1.252   2.687   0.379
  692   2HD1  ILE  89          HD12      ILE  89   2.844   3.086   1.024
  693   3HD1  ILE  89          HD13      ILE  89   1.768   2.022   1.928
  694    H    LYS  90           HN       LYS  90   6.928   1.058  -1.287
  695    HA   LYS  90           HA       LYS  90   6.569  -0.601  -3.508
  696   1HB   LYS  90          HB2       LYS  90   7.976   1.568  -3.290
  697   2HB   LYS  90          HB1       LYS  90   9.263   0.503  -2.743
  698   1HG   LYS  90          HG2       LYS  90   9.762   0.562  -4.952
  699   2HG   LYS  90          HG1       LYS  90   8.629  -0.792  -4.966
  700   1HD   LYS  90          HD2       LYS  90   7.115   0.344  -6.168
  701   2HD   LYS  90          HD1       LYS  90   7.336   1.816  -5.222
  702   1HE   LYS  90          HE2       LYS  90   9.590   1.117  -6.969
  703   2HE   LYS  90          HE1       LYS  90   8.094   1.510  -7.814
  704   1HZ   LYS  90          HZ1       LYS  90   8.847   3.311  -5.664
  705   2HZ   LYS  90          HZ2       LYS  90   8.199   3.655  -7.188
  706   3HZ   LYS  90          HZ3       LYS  90   9.852   3.336  -7.025
  707    H    GLU  91           HN       GLU  91   8.214  -1.039  -0.494
  708    HA   GLU  91           HA       GLU  91   9.471  -3.520  -1.361
  709   1HB   GLU  91          HB2       GLU  91  10.683  -1.930   0.131
  710   2HB   GLU  91          HB1       GLU  91   9.475  -2.228   1.373
  711   1HG   GLU  91          HG2       GLU  91  10.675  -3.934   2.092
  712   2HG   GLU  91          HG1       GLU  91  10.406  -4.747   0.552
  713    H    ILE  92           HN       ILE  92   6.468  -2.591  -0.372
  714    HA   ILE  92           HA       ILE  92   5.844  -4.750   1.396
  715    HB   ILE  92           HB       ILE  92   4.494  -2.365   0.427
  716   1HG1  ILE  92          HG12      ILE  92   3.476  -2.442   2.622
  717   2HG1  ILE  92          HG11      ILE  92   3.962  -4.121   2.826
  718   1HG2  ILE  92          HG21      ILE  92   3.021  -3.810  -0.759
  719   2HG2  ILE  92          HG22      ILE  92   2.191  -3.284   0.706
  720   3HG2  ILE  92          HG23      ILE  92   2.893  -4.899   0.622
  721   1HD1  ILE  92          HD11      ILE  92   5.587  -3.099   4.033
  722   2HD1  ILE  92          HD12      ILE  92   5.560  -1.638   3.046
  723   3HD1  ILE  92          HD13      ILE  92   6.365  -3.090   2.450
  724    H    PHE  93           HN       PHE  93   5.457  -3.937  -1.988
  725    HA   PHE  93           HA       PHE  93   3.843  -6.090  -2.775
  726   1HB   PHE  93          HB2       PHE  93   4.134  -5.266  -4.876
  727   2HB   PHE  93          HB1       PHE  93   4.880  -3.911  -4.030
  728    HD1  PHE  93           HD1      PHE  93   5.291  -5.843  -6.776
  729    HD2  PHE  93           HD2      PHE  93   7.455  -4.650  -3.315
  730    HE1  PHE  93           HE1      PHE  93   7.407  -6.293  -7.946
  731    HE2  PHE  93           HE2      PHE  93   9.567  -5.100  -4.471
  732    HZ   PHE  93           HZ       PHE  93   9.555  -5.917  -6.798
  733    H    HIS  94           HN       HIS  94   7.205  -5.882  -1.954
  734    HA   HIS  94           HA       HIS  94   8.226  -8.092  -3.336
  735   1HB   HIS  94          HB2       HIS  94   9.378  -6.228  -1.835
  736   2HB   HIS  94          HB1       HIS  94   9.233  -7.467  -0.593
  737    HD1  HIS  94           HD1      HIS  94  10.648  -9.627  -0.903
  738    HD2  HIS  94           HD2      HIS  94  11.288  -6.720  -3.802
  739    HE1  HIS  94           HE1      HIS  94  12.745 -10.324  -2.102
  740    HE2  HIS  94           HE2      HIS  94  13.069  -8.592  -3.903
  741    H    HIS  95           HN       HIS  95   7.423  -7.954   0.125
  742    HA   HIS  95           HA       HIS  95   7.373 -10.761   0.440
  743   1HB   HIS  95          HB2       HIS  95   6.288  -8.485   2.089
  744   2HB   HIS  95          HB1       HIS  95   6.042 -10.163   2.561
  745    HD1  HIS  95           HD1      HIS  95   8.825  -7.670   1.993
  746    HD2  HIS  95           HD2      HIS  95   8.172 -11.346   3.819
  747    HE1  HIS  95           HE1      HIS  95  10.923  -8.157   3.289
  748    HE2  HIS  95           HE2      HIS  95  10.487 -10.362   4.428
  749    H    LEU  96           HN       LEU  96   5.242  -8.715  -1.168
  750    HA   LEU  96           HA       LEU  96   2.868 -10.302  -0.599
  751   1HB   LEU  96          HB2       LEU  96   3.409  -7.844  -2.243
  752   2HB   LEU  96          HB1       LEU  96   1.876  -8.699  -2.348
  753    HG   LEU  96           HG       LEU  96   3.040  -7.515   0.157
  754   1HD1  LEU  96          HD11      LEU  96   2.396  -5.761  -1.365
  755   2HD1  LEU  96          HD12      LEU  96   1.196  -5.867  -0.075
  756   3HD1  LEU  96          HD13      LEU  96   0.845  -6.541  -1.666
  757   1HD2  LEU  96          HD21      LEU  96   1.375  -8.429   1.337
  758   2HD2  LEU  96          HD22      LEU  96   1.226  -9.550  -0.020
  759   3HD2  LEU  96          HD23      LEU  96   0.186  -8.130   0.069
  760    H    GLU  97           HN       GLU  97   4.630  -9.309  -3.527
  761    HA   GLU  97           HA       GLU  97   3.429 -11.265  -5.183
  762   1HB   GLU  97          HB2       GLU  97   5.624  -9.296  -5.421
  763   2HB   GLU  97          HB1       GLU  97   5.735 -10.691  -6.487
  764   1HG   GLU  97          HG2       GLU  97   3.270 -10.131  -7.061
  765   2HG   GLU  97          HG1       GLU  97   3.659  -8.549  -6.387
  766    H    GLU  98           HN       GLU  98   5.762 -11.503  -2.748
  767    HA   GLU  98           HA       GLU  98   7.038 -13.852  -3.948
  768   1HB   GLU  98          HB2       GLU  98   8.142 -11.904  -2.477
  769   2HB   GLU  98          HB1       GLU  98   7.713 -13.010  -1.181
  770   1HG   GLU  98          HG2       GLU  98   9.050 -14.740  -2.116
  771   2HG   GLU  98          HG1       GLU  98   9.310 -13.816  -3.595
  772    H    LEU  99           HN       LEU  99   4.232 -13.342  -2.437
  773    HA   LEU  99           HA       LEU  99   4.376 -15.713  -0.717
  774   1HB   LEU  99          HB2       LEU  99   3.450 -13.640   0.252
  775   2HB   LEU  99          HB1       LEU  99   2.201 -13.635  -0.979
  776    HG   LEU  99           HG       LEU  99   1.679 -16.029   0.010
  777   1HD1  LEU  99          HD11      LEU  99   1.982 -15.982   2.478
  778   2HD1  LEU  99          HD12      LEU  99   3.049 -14.594   2.274
  779   3HD1  LEU  99          HD13      LEU  99   3.485 -16.152   1.572
  780   1HD2  LEU  99          HD21      LEU  99   0.362 -14.569   1.864
  781   2HD2  LEU  99          HD22      LEU  99  -0.132 -14.706   0.176
  782   3HD2  LEU  99          HD23      LEU  99   0.806 -13.311   0.711
  783    H    VAL 100           HN       VAL 100   2.421 -14.282  -3.310
  784    HA   VAL 100           HA       VAL 100   0.864 -16.660  -3.694
  785    HB   VAL 100           HB       VAL 100   1.142 -14.283  -5.539
  786   1HG1  VAL 100          HG11      VAL 100  -0.221 -15.386  -6.901
  787   2HG1  VAL 100          HG12      VAL 100  -1.431 -15.469  -5.621
  788   3HG1  VAL 100          HG13      VAL 100  -0.241 -16.759  -5.796
  789   1HG2  VAL 100          HG21      VAL 100  -1.247 -13.961  -4.301
  790   2HG2  VAL 100          HG22      VAL 100   0.248 -13.170  -3.800
  791   3HG2  VAL 100          HG23      VAL 100  -0.282 -14.646  -2.993
  792    H    HIS 101           HN       HIS 101   3.720 -15.242  -5.159
  793    HA   HIS 101           HA       HIS 101   3.810 -17.380  -7.158
  794   1HB   HIS 101          HB2       HIS 101   4.915 -14.654  -6.961
  795   2HB   HIS 101          HB1       HIS 101   6.006 -15.841  -7.668
  796    HD1  HIS 101           HD1      HIS 101   2.306 -15.028  -8.132
  797    HD2  HIS 101           HD2      HIS 101   5.730 -15.829 -10.344
  798    HE1  HIS 101           HE1      HIS 101   1.592 -14.911 -10.540
  799    HE2  HIS 101           HE2      HIS 101   3.701 -15.310 -11.860
  800    H    ARG 102           HN       ARG 102   4.286 -17.912  -4.339
  801    HA   ARG 102           HA       ARG 102   7.134 -18.289  -4.045
  802   1HB   ARG 102          HB2       ARG 102   5.640 -17.756  -2.122
  803   2HB   ARG 102          HB1       ARG 102   4.888 -19.333  -2.313
  804   1HG   ARG 102          HG2       ARG 102   6.388 -20.031  -0.823
  805   2HG   ARG 102          HG1       ARG 102   7.540 -19.977  -2.159
  806   1HD   ARG 102          HD2       ARG 102   8.030 -17.607  -1.535
  807   2HD   ARG 102          HD1       ARG 102   7.017 -17.829  -0.109
  808    HE   ARG 102           HE       ARG 102   8.708 -19.028   0.870
  809   1HH1  ARG 102          HH11      ARG 102   9.384 -18.682  -2.535
  810   2HH1  ARG 102          HH12      ARG 102  10.988 -19.323  -2.409
  811   1HH2  ARG 102          HH21      ARG 102  10.817 -19.872   1.038
  812   2HH2  ARG 102          HH22      ARG 102  11.801 -19.999  -0.381
  Start of MODEL   10
    1   1H    MET   1           HT1      MET   1   0.698 -23.500   5.321
    2   2H    MET   1           HT2      MET   1   1.716 -22.122   5.224
    3   3H    MET   1           HT3      MET   1   0.848 -22.649   3.840
    4    HA   MET   1           HA       MET   1  -1.165 -22.001   4.694
    5   1HB   MET   1          HB2       MET   1   0.088 -22.658   7.135
    6   2HB   MET   1          HB1       MET   1  -0.388 -20.972   7.273
    7   1HG   MET   1          HG2       MET   1  -2.214 -22.139   8.094
    8   2HG   MET   1          HG1       MET   1  -2.678 -21.740   6.441
    9   1HE   MET   1          HE1       MET   1  -0.590 -24.089   8.373
   10   2HE   MET   1          HE2       MET   1  -0.235 -25.214   7.063
   11   3HE   MET   1          HE3       MET   1  -1.432 -25.636   8.286
   12    H    TYR   2           HN       TYR   2  -1.207 -20.269   3.380
   13    HA   TYR   2           HA       TYR   2   0.573 -18.012   3.877
   14   1HB   TYR   2          HB2       TYR   2  -1.386 -18.569   1.641
   15   2HB   TYR   2          HB1       TYR   2  -0.376 -17.131   1.742
   16    HD1  TYR   2           HD1      TYR   2   2.182 -17.529   1.880
   17    HD2  TYR   2           HD2      TYR   2  -0.594 -20.463   0.547
   18    HE1  TYR   2           HE1      TYR   2   4.002 -18.720   0.729
   19    HE2  TYR   2           HE2      TYR   2   1.216 -21.663  -0.605
   20    HH   TYR   2           HH       TYR   2   3.593 -20.893  -1.600
   21    H    GLY   3           HN       GLY   3  -0.074 -16.032   4.589
   22   1HA   GLY   3          HA2       GLY   3  -2.441 -14.760   4.505
   23   2HA   GLY   3          HA1       GLY   3  -2.693 -15.891   5.822
   24    H    LYS   4           HN       LYS   4   0.263 -15.621   6.481
   25    HA   LYS   4           HA       LYS   4  -0.070 -13.515   8.382
   26   1HB   LYS   4          HB2       LYS   4   1.310 -15.624   8.723
   27   2HB   LYS   4          HB1       LYS   4   2.520 -14.895   7.675
   28   1HG   LYS   4          HG2       LYS   4   3.268 -14.409   9.819
   29   2HG   LYS   4          HG1       LYS   4   2.471 -12.922   9.303
   30   1HD   LYS   4          HD2       LYS   4   0.908 -14.987  10.791
   31   2HD   LYS   4          HD1       LYS   4   2.003 -13.922  11.676
   32   1HE   LYS   4          HE2       LYS   4   0.496 -12.331   9.871
   33   2HE   LYS   4          HE1       LYS   4  -0.625 -13.386  10.730
   34   1HZ   LYS   4          HZ1       LYS   4   1.439 -11.837  12.170
   35   2HZ   LYS   4          HZ2       LYS   4   0.015 -12.518  12.778
   36   3HZ   LYS   4          HZ3       LYS   4  -0.059 -11.154  11.779
   37    H    LEU   5           HN       LEU   5   1.062 -13.619   5.162
   38    HA   LEU   5           HA       LEU   5   2.929 -11.561   5.147
   39   1HB   LEU   5          HB2       LEU   5   1.821 -13.064   3.220
   40   2HB   LEU   5          HB1       LEU   5   0.904 -11.591   2.973
   41    HG   LEU   5           HG       LEU   5   2.738 -11.479   1.485
   42   1HD1  LEU   5          HD11      LEU   5   3.971  -9.535   2.259
   43   2HD1  LEU   5          HD12      LEU   5   3.470  -9.858   3.920
   44   3HD1  LEU   5          HD13      LEU   5   2.270  -9.403   2.708
   45   1HD2  LEU   5          HD21      LEU   5   4.055 -13.041   3.419
   46   2HD2  LEU   5          HD22      LEU   5   4.997 -11.561   3.247
   47   3HD2  LEU   5          HD23      LEU   5   4.649 -12.555   1.832
   48    H    ASN   6           HN       ASN   6  -0.440 -11.545   5.828
   49    HA   ASN   6           HA       ASN   6  -1.085  -8.906   5.222
   50   1HB   ASN   6          HB2       ASN   6  -2.943  -9.162   6.783
   51   2HB   ASN   6          HB1       ASN   6  -2.787 -10.571   5.740
   52   1HD2  ASN   6          HD21      ASN   6  -4.164 -10.579   8.167
   53   2HD2  ASN   6          HD22      ASN   6  -3.335 -11.623   9.267
   54    H    ASP   7           HN       ASP   7   0.354 -10.348   8.098
   55    HA   ASP   7           HA       ASP   7   0.254  -8.204   9.844
   56   1HB   ASP   7          HB2       ASP   7   1.158 -10.521  10.321
   57   2HB   ASP   7          HB1       ASP   7   2.652 -10.021   9.534
   58    H    LEU   8           HN       LEU   8   2.181  -8.678   7.006
   59    HA   LEU   8           HA       LEU   8   3.949  -6.456   7.554
   60   1HB   LEU   8          HB2       LEU   8   4.963  -8.214   6.362
   61   2HB   LEU   8          HB1       LEU   8   3.601  -8.381   5.275
   62    HG   LEU   8           HG       LEU   8   5.769  -7.372   4.354
   63   1HD1  LEU   8          HD11      LEU   8   4.584  -6.329   2.707
   64   2HD1  LEU   8          HD12      LEU   8   3.484  -5.543   3.838
   65   3HD1  LEU   8          HD13      LEU   8   3.295  -7.258   3.474
   66   1HD2  LEU   8          HD21      LEU   8   5.391  -5.592   6.470
   67   2HD2  LEU   8          HD22      LEU   8   4.985  -4.678   5.017
   68   3HD2  LEU   8          HD23      LEU   8   6.560  -5.459   5.157
   69    H    LEU   9           HN       LEU   9   0.986  -7.099   5.827
   70    HA   LEU   9           HA       LEU   9   0.962  -4.840   4.141
   71   1HB   LEU   9          HB2       LEU   9  -1.086  -6.722   5.205
   72   2HB   LEU   9          HB1       LEU   9  -1.645  -5.221   4.494
   73    HG   LEU   9           HG       LEU   9   0.216  -7.055   3.010
   74   1HD1  LEU   9          HD11      LEU   9  -2.047  -7.701   1.860
   75   2HD1  LEU   9          HD12      LEU   9  -2.722  -7.295   3.437
   76   3HD1  LEU   9          HD13      LEU   9  -1.494  -8.553   3.301
   77   1HD2  LEU   9          HD21      LEU   9  -1.837  -5.097   2.001
   78   2HD2  LEU   9          HD22      LEU   9  -0.569  -5.906   1.080
   79   3HD2  LEU   9          HD23      LEU   9  -0.145  -4.682   2.277
   80    H    GLU  10           HN       GLU  10   0.168  -5.294   7.513
   81    HA   GLU  10           HA       GLU  10  -1.400  -3.072   8.029
   82   1HB   GLU  10          HB2       GLU  10   0.601  -4.566   9.699
   83   2HB   GLU  10          HB1       GLU  10  -0.258  -3.174  10.345
   84   1HG   GLU  10          HG2       GLU  10  -1.630  -5.577   9.171
   85   2HG   GLU  10          HG1       GLU  10  -1.259  -5.399  10.885
   86    H    ASP  11           HN       ASP  11   2.155  -3.294   8.191
   87    HA   ASP  11           HA       ASP  11   2.734  -0.717   8.979
   88   1HB   ASP  11          HB2       ASP  11   4.280  -2.775   8.440
   89   2HB   ASP  11          HB1       ASP  11   4.426  -1.996   6.867
   90    H    LEU  12           HN       LEU  12   2.341  -1.890   5.653
   91    HA   LEU  12           HA       LEU  12   2.824   0.487   4.318
   92   1HB   LEU  12          HB2       LEU  12   2.594  -0.925   2.616
   93   2HB   LEU  12          HB1       LEU  12   1.906  -2.124   3.686
   94    HG   LEU  12           HG       LEU  12  -0.050  -0.122   2.800
   95   1HD1  LEU  12          HD11      LEU  12   0.581  -0.021   0.671
   96   2HD1  LEU  12          HD12      LEU  12  -0.007  -1.679   0.560
   97   3HD1  LEU  12          HD13      LEU  12   1.705  -1.369   0.840
   98   1HD2  LEU  12          HD21      LEU  12  -1.152  -1.885   3.672
   99   2HD2  LEU  12          HD22      LEU  12   0.157  -3.010   3.312
  100   3HD2  LEU  12          HD23      LEU  12  -0.974  -2.543   2.045
  101    H    GLN  13           HN       GLN  13  -0.359  -0.915   5.075
  102    HA   GLN  13           HA       GLN  13  -1.894   1.252   4.288
  103   1HB   GLN  13          HB2       GLN  13  -2.599  -1.122   5.086
  104   2HB   GLN  13          HB1       GLN  13  -2.661  -0.394   6.685
  105   1HG   GLN  13          HG2       GLN  13  -4.096   1.393   5.226
  106   2HG   GLN  13          HG1       GLN  13  -4.485  -0.122   4.414
  107   1HE2  GLN  13          HE21      GLN  13  -5.927  -1.448   5.315
  108   2HE2  GLN  13          HE22      GLN  13  -6.626  -1.241   6.882
  109    H    GLU  14           HN       GLU  14  -0.190   0.705   7.313
  110    HA   GLU  14           HA       GLU  14  -1.337   2.998   8.623
  111   1HB   GLU  14          HB2       GLU  14  -0.565   1.066   9.928
  112   2HB   GLU  14          HB1       GLU  14   1.074   1.318   9.344
  113   1HG   GLU  14          HG2       GLU  14   0.292   3.762  10.447
  114   2HG   GLU  14          HG1       GLU  14  -0.287   2.528  11.566
  115    H    VAL  15           HN       VAL  15   1.363   2.337   6.568
  116    HA   VAL  15           HA       VAL  15   2.872   4.652   7.236
  117    HB   VAL  15           HB       VAL  15   3.556   2.454   5.935
  118   1HG1  VAL  15          HG11      VAL  15   3.937   3.565   3.464
  119   2HG1  VAL  15          HG12      VAL  15   2.285   4.041   3.838
  120   3HG1  VAL  15          HG13      VAL  15   2.739   2.342   3.863
  121   1HG2  VAL  15          HG21      VAL  15   4.976   4.329   6.757
  122   2HG2  VAL  15          HG22      VAL  15   4.779   5.094   5.178
  123   3HG2  VAL  15          HG23      VAL  15   5.569   3.516   5.310
  124    H    LEU  16           HN       LEU  16   0.175   4.002   5.157
  125    HA   LEU  16           HA       LEU  16   0.361   6.200   3.430
  126   1HB   LEU  16          HB2       LEU  16  -1.904   4.504   4.403
  127   2HB   LEU  16          HB1       LEU  16  -2.240   5.933   3.446
  128    HG   LEU  16           HG       LEU  16  -2.227   4.126   1.930
  129   1HD1  LEU  16          HD11      LEU  16  -0.384   4.614   0.445
  130   2HD1  LEU  16          HD12      LEU  16   0.499   5.394   1.756
  131   3HD1  LEU  16          HD13      LEU  16  -1.003   6.103   1.158
  132   1HD2  LEU  16          HD21      LEU  16   0.501   3.262   2.806
  133   2HD2  LEU  16          HD22      LEU  16  -0.698   2.374   1.866
  134   3HD2  LEU  16          HD23      LEU  16  -0.954   2.650   3.588
  135    H    LYS  17           HN       LYS  17  -0.932   5.867   6.684
  136    HA   LYS  17           HA       LYS  17  -2.356   8.200   6.967
  137   1HB   LYS  17          HB2       LYS  17  -2.193   6.538   8.750
  138   2HB   LYS  17          HB1       LYS  17  -0.492   6.920   8.979
  139   1HG   LYS  17          HG2       LYS  17  -1.826   9.354   9.246
  140   2HG   LYS  17          HG1       LYS  17  -2.823   8.177  10.101
  141   1HD   LYS  17          HD2       LYS  17  -1.403   8.638  11.800
  142   2HD   LYS  17          HD1       LYS  17  -0.392   7.445  10.983
  143   1HE   LYS  17          HE2       LYS  17   1.077   9.203  11.299
  144   2HE   LYS  17          HE1       LYS  17   0.503   9.482   9.655
  145   1HZ   LYS  17          HZ1       LYS  17   0.525  11.350  11.548
  146   2HZ   LYS  17          HZ2       LYS  17  -1.042  10.749  11.760
  147   3HZ   LYS  17          HZ3       LYS  17  -0.564  11.352  10.253
  148    H    ASN  18           HN       ASN  18   1.128   7.722   7.077
  149    HA   ASN  18           HA       ASN  18   1.776  10.426   7.736
  150   1HB   ASN  18          HB2       ASN  18   3.191   7.999   7.378
  151   2HB   ASN  18          HB1       ASN  18   3.862   9.136   6.210
  152   1HD2  ASN  18          HD21      ASN  18   4.553  11.230   7.051
  153   2HD2  ASN  18          HD22      ASN  18   5.215  11.308   8.645
  154    H    LEU  19           HN       LEU  19   1.415   8.575   4.797
  155    HA   LEU  19           HA       LEU  19   2.394  10.353   2.919
  156   1HB   LEU  19          HB2       LEU  19   1.945   8.496   1.781
  157   2HB   LEU  19          HB1       LEU  19   0.797   7.956   2.980
  158    HG   LEU  19           HG       LEU  19  -0.210  10.031   1.137
  159   1HD1  LEU  19          HD11      LEU  19   1.289   8.385  -0.196
  160   2HD1  LEU  19          HD12      LEU  19  -0.328   8.765  -0.783
  161   3HD1  LEU  19          HD13      LEU  19  -0.031   7.253   0.069
  162   1HD2  LEU  19          HD21      LEU  19  -2.007   8.092   1.088
  163   2HD2  LEU  19          HD22      LEU  19  -1.895   9.238   2.420
  164   3HD2  LEU  19          HD23      LEU  19  -1.179   7.635   2.574
  165    H    HIS  20           HN       HIS  20  -1.000  10.003   3.990
  166    HA   HIS  20           HA       HIS  20  -2.075  11.983   2.411
  167   1HB   HIS  20          HB2       HIS  20  -3.979  12.010   3.861
  168   2HB   HIS  20          HB1       HIS  20  -3.381  10.360   3.759
  169    HD1  HIS  20           HD1      HIS  20  -2.513  13.226   6.143
  170    HD2  HIS  20           HD2      HIS  20  -3.723   9.258   6.116
  171    HE1  HIS  20           HE1      HIS  20  -2.634  12.553   8.561
  172    HE2  HIS  20           HE2      HIS  20  -3.487  10.181   8.528
  173    H    LYS  21           HN       LYS  21   0.090  12.456   4.987
  174    HA   LYS  21           HA       LYS  21  -0.863  15.160   5.421
  175   1HB   LYS  21          HB2       LYS  21  -0.159  13.827   7.363
  176   2HB   LYS  21          HB1       LYS  21   1.466  13.729   6.692
  177   1HG   LYS  21          HG2       LYS  21   1.541  15.426   8.303
  178   2HG   LYS  21          HG1       LYS  21   1.502  16.248   6.743
  179   1HD   LYS  21          HD2       LYS  21  -0.964  15.736   8.403
  180   2HD   LYS  21          HD1       LYS  21  -0.010  17.213   8.527
  181   1HE   LYS  21          HE2       LYS  21  -0.417  17.019   5.824
  182   2HE   LYS  21          HE1       LYS  21  -1.925  16.369   6.464
  183   1HZ   LYS  21          HZ1       LYS  21  -1.781  18.864   6.072
  184   2HZ   LYS  21          HZ2       LYS  21  -0.805  18.923   7.451
  185   3HZ   LYS  21          HZ3       LYS  21  -2.394  18.353   7.564
  186    H    ASN  22           HN       ASN  22   1.586  13.495   3.647
  187    HA   ASN  22           HA       ASN  22   2.620  16.102   2.770
  188   1HB   ASN  22          HB2       ASN  22   4.220  13.645   3.479
  189   2HB   ASN  22          HB1       ASN  22   4.878  14.973   2.528
  190   1HD2  ASN  22          HD21      ASN  22   3.112  14.415   5.556
  191   2HD2  ASN  22          HD22      ASN  22   3.981  15.587   6.478
  192    H    TRP  23           HN       TRP  23   0.608  14.294   1.633
  193    HA   TRP  23           HA       TRP  23   1.910  13.196  -0.718
  194   1HB   TRP  23          HB2       TRP  23  -0.005  11.984  -1.089
  195   2HB   TRP  23          HB1       TRP  23  -0.132  12.209   0.646
  196    HD1  TRP  23           HD1      TRP  23  -2.260  13.363   1.491
  197    HE1  TRP  23           HE1      TRP  23  -4.279  14.490   0.420
  198    HE3  TRP  23           HE3      TRP  23  -0.600  13.362  -3.272
  199    HZ2  TRP  23           HZ2      TRP  23  -5.081  15.258  -2.220
  200    HZ3  TRP  23           HZ3      TRP  23  -2.024  14.264  -5.028
  201    HH2  TRP  23           HH2      TRP  23  -4.230  15.207  -4.528
  202    H    HIS  24           HN       HIS  24  -0.060  15.917   0.212
  203    HA   HIS  24           HA       HIS  24   0.689  17.492  -1.981
  204   1HB   HIS  24          HB2       HIS  24  -0.733  16.043  -3.317
  205   2HB   HIS  24          HB1       HIS  24  -2.068  16.266  -2.196
  206    HD1  HIS  24           HD1      HIS  24   0.119  18.549  -4.331
  207    HD2  HIS  24           HD2      HIS  24  -3.823  18.088  -3.105
  208    HE1  HIS  24           HE1      HIS  24  -1.159  20.387  -5.476
  209    HE2  HIS  24           HE2      HIS  24  -3.559  20.024  -4.800
  210    H    GLY  25           HN       GLY  25  -2.147  16.875   0.090
  211   1HA   GLY  25          HA2       GLY  25  -1.819  18.987   1.824
  212   2HA   GLY  25          HA1       GLY  25  -2.692  19.659   0.458
  213    H    GLY  26           HN       GLY  26  -3.078  18.423   3.447
  214   1HA   GLY  26          HA2       GLY  26  -4.909  17.738   4.641
  215   2HA   GLY  26          HA1       GLY  26  -5.877  18.319   3.297
  216    H    LYS  27           HN       LYS  27  -5.542  15.760   5.138
  217    HA   LYS  27           HA       LYS  27  -5.206  13.584   3.376
  218   1HB   LYS  27          HB2       LYS  27  -5.008  13.282   5.767
  219   2HB   LYS  27          HB1       LYS  27  -6.673  13.790   6.010
  220   1HG   LYS  27          HG2       LYS  27  -7.383  11.796   4.674
  221   2HG   LYS  27          HG1       LYS  27  -5.701  11.263   4.699
  222   1HD   LYS  27          HD2       LYS  27  -5.836  10.571   6.831
  223   2HD   LYS  27          HD1       LYS  27  -6.757  11.991   7.331
  224   1HE   LYS  27          HE2       LYS  27  -8.560  10.628   5.780
  225   2HE   LYS  27          HE1       LYS  27  -7.675   9.322   6.567
  226   1HZ   LYS  27          HZ1       LYS  27  -9.439   9.841   7.993
  227   2HZ   LYS  27          HZ2       LYS  27  -9.209  11.510   7.838
  228   3HZ   LYS  27          HZ3       LYS  27  -8.092  10.580   8.702
  229    H    ASP  28           HN       ASP  28  -7.769  15.801   3.741
  230    HA   ASP  28           HA       ASP  28 -10.080  14.441   3.288
  231   1HB   ASP  28          HB2       ASP  28 -10.842  16.437   1.978
  232   2HB   ASP  28          HB1       ASP  28 -10.108  16.830   3.530
  233    H    ASN  29           HN       ASN  29  -7.759  15.435   0.765
  234    HA   ASN  29           HA       ASN  29  -9.250  14.085  -1.292
  235   1HB   ASN  29          HB2       ASN  29  -6.733  15.662  -1.154
  236   2HB   ASN  29          HB1       ASN  29  -6.889  14.517  -2.484
  237   1HD2  ASN  29          HD21      ASN  29  -9.116  16.725  -0.817
  238   2HD2  ASN  29          HD22      ASN  29  -9.681  17.505  -2.251
  239    H    LEU  30           HN       LEU  30  -6.358  13.409   0.630
  240    HA   LEU  30           HA       LEU  30  -5.536  11.092  -0.721
  241   1HB   LEU  30          HB2       LEU  30  -4.340  12.403   1.143
  242   2HB   LEU  30          HB1       LEU  30  -5.293  11.446   2.254
  243    HG   LEU  30           HG       LEU  30  -3.006  10.569   1.911
  244   1HD1  LEU  30          HD11      LEU  30  -4.430   8.353   0.782
  245   2HD1  LEU  30          HD12      LEU  30  -5.375   9.160   2.032
  246   3HD1  LEU  30          HD13      LEU  30  -3.761   8.561   2.397
  247   1HD2  LEU  30          HD21      LEU  30  -3.924  10.028  -0.890
  248   2HD2  LEU  30          HD22      LEU  30  -2.426   9.442  -0.164
  249   3HD2  LEU  30          HD23      LEU  30  -2.676  11.171  -0.404
  250    H    HIS  31           HN       HIS  31  -8.111  11.686   1.541
  251    HA   HIS  31           HA       HIS  31  -8.662   9.226   2.598
  252   1HB   HIS  31          HB2       HIS  31  -9.974  11.577   2.589
  253   2HB   HIS  31          HB1       HIS  31 -11.001  10.675   1.478
  254    HD1  HIS  31           HD1      HIS  31  -9.324   9.142   4.488
  255    HD2  HIS  31           HD2      HIS  31 -13.108  10.293   3.213
  256    HE1  HIS  31           HE1      HIS  31 -10.917   8.241   6.212
  257    HE2  HIS  31           HE2      HIS  31 -13.192   9.025   5.465
  258    H    ASP  32           HN       ASP  32  -9.983  10.435  -0.487
  259    HA   ASP  32           HA       ASP  32 -11.117   8.010  -1.303
  260   1HB   ASP  32          HB2       ASP  32 -10.584  10.619  -2.475
  261   2HB   ASP  32          HB1       ASP  32 -10.400   9.323  -3.655
  262    H    VAL  33           HN       VAL  33  -7.866   9.068  -1.248
  263    HA   VAL  33           HA       VAL  33  -6.902   7.180  -3.211
  264    HB   VAL  33           HB       VAL  33  -5.722   9.314  -1.522
  265   1HG1  VAL  33          HG11      VAL  33  -3.424   8.570  -2.155
  266   2HG1  VAL  33          HG12      VAL  33  -4.119   7.021  -2.625
  267   3HG1  VAL  33          HG13      VAL  33  -4.206   7.549  -0.948
  268   1HG2  VAL  33          HG21      VAL  33  -6.462   9.674  -3.831
  269   2HG2  VAL  33          HG22      VAL  33  -5.283   8.477  -4.370
  270   3HG2  VAL  33          HG23      VAL  33  -4.737   9.979  -3.616
  271    H    ASP  34           HN       ASP  34  -6.106   7.661   0.250
  272    HA   ASP  34           HA       ASP  34  -5.012   5.090   0.555
  273   1HB   ASP  34          HB2       ASP  34  -4.309   6.532   2.226
  274   2HB   ASP  34          HB1       ASP  34  -5.918   7.218   2.456
  275    H    ASN  35           HN       ASN  35  -8.284   6.248   0.539
  276    HA   ASN  35           HA       ASN  35  -9.547   4.162   1.947
  277   1HB   ASN  35          HB2       ASN  35 -10.820   6.131   1.299
  278   2HB   ASN  35          HB1       ASN  35 -10.524   5.808  -0.407
  279   1HD2  ASN  35          HD21      ASN  35 -12.499   5.192   2.294
  280   2HD2  ASN  35          HD22      ASN  35 -13.586   4.081   1.541
  281    H    HIS  36           HN       HIS  36  -8.467   4.537  -1.373
  282    HA   HIS  36           HA       HIS  36  -9.395   2.040  -2.356
  283   1HB   HIS  36          HB2       HIS  36  -7.913   4.272  -3.355
  284   2HB   HIS  36          HB1       HIS  36  -6.965   2.819  -3.664
  285    HD1  HIS  36           HD1      HIS  36  -9.449   0.937  -4.205
  286    HD2  HIS  36           HD2      HIS  36  -8.780   4.652  -5.943
  287    HE1  HIS  36           HE1      HIS  36 -10.754   0.919  -6.354
  288    HE2  HIS  36           HE2      HIS  36 -10.410   3.211  -7.342
  289    H    LEU  37           HN       LEU  37  -6.350   3.225  -1.021
  290    HA   LEU  37           HA       LEU  37  -4.794   0.938  -1.142
  291   1HB   LEU  37          HB2       LEU  37  -4.254   3.309  -0.271
  292   2HB   LEU  37          HB1       LEU  37  -4.813   2.714   1.275
  293    HG   LEU  37           HG       LEU  37  -2.635   2.250   1.574
  294   1HD1  LEU  37          HD11      LEU  37  -3.619   0.048   1.557
  295   2HD1  LEU  37          HD12      LEU  37  -1.987  -0.019   0.895
  296   3HD1  LEU  37          HD13      LEU  37  -3.379  -0.076  -0.186
  297   1HD2  LEU  37          HD21      LEU  37  -2.474   2.255  -1.412
  298   2HD2  LEU  37          HD22      LEU  37  -1.128   1.669  -0.434
  299   3HD2  LEU  37          HD23      LEU  37  -1.693   3.330  -0.252
  300    H    GLN  38           HN       GLN  38  -6.465   1.984   1.829
  301    HA   GLN  38           HA       GLN  38  -6.206  -0.298   3.305
  302   1HB   GLN  38          HB2       GLN  38  -8.114   0.415   4.604
  303   2HB   GLN  38          HB1       GLN  38  -7.179   1.826   4.131
  304   1HG   GLN  38          HG2       GLN  38  -8.772   2.344   2.392
  305   2HG   GLN  38          HG1       GLN  38  -9.680   0.877   2.752
  306   1HE2  GLN  38          HE21      GLN  38  -9.935   0.818   5.377
  307   2HE2  GLN  38          HE22      GLN  38 -10.754   2.216   5.975
  308    H    ASN  39           HN       ASN  39  -8.698   0.386   0.884
  309    HA   ASN  39           HA       ASN  39 -10.275  -1.893   1.292
  310   1HB   ASN  39          HB2       ASN  39 -10.452   0.256  -0.354
  311   2HB   ASN  39          HB1       ASN  39  -9.963  -0.982  -1.507
  312   1HD2  ASN  39          HD21      ASN  39 -12.446   0.134   0.622
  313   2HD2  ASN  39          HD22      ASN  39 -13.682  -0.949   0.089
  314    H    VAL  40           HN       VAL  40  -7.202  -1.463  -0.240
  315    HA   VAL  40           HA       VAL  40  -7.189  -3.869  -1.764
  316    HB   VAL  40           HB       VAL  40  -4.766  -2.417  -0.702
  317   1HG1  VAL  40          HG11      VAL  40  -4.999  -4.731  -2.195
  318   2HG1  VAL  40          HG12      VAL  40  -3.558  -3.727  -2.032
  319   3HG1  VAL  40          HG13      VAL  40  -4.651  -3.488  -3.394
  320   1HG2  VAL  40          HG21      VAL  40  -6.679  -1.650  -2.840
  321   2HG2  VAL  40          HG22      VAL  40  -4.960  -1.382  -3.128
  322   3HG2  VAL  40          HG23      VAL  40  -5.745  -0.640  -1.739
  323    H    ILE  41           HN       ILE  41  -5.679  -2.946   1.325
  324    HA   ILE  41           HA       ILE  41  -4.444  -5.274   2.036
  325    HB   ILE  41           HB       ILE  41  -5.836  -3.196   3.694
  326   1HG1  ILE  41          HG12      ILE  41  -3.476  -2.821   4.462
  327   2HG1  ILE  41          HG11      ILE  41  -2.960  -4.048   3.308
  328   1HG2  ILE  41          HG21      ILE  41  -6.184  -4.929   5.169
  329   2HG2  ILE  41          HG22      ILE  41  -4.578  -4.382   5.650
  330   3HG2  ILE  41          HG23      ILE  41  -4.754  -5.813   4.636
  331   1HD1  ILE  41          HD11      ILE  41  -2.828  -1.540   2.681
  332   2HD1  ILE  41          HD12      ILE  41  -4.555  -1.711   2.372
  333   3HD1  ILE  41          HD13      ILE  41  -3.398  -2.709   1.491
  334    H    GLU  42           HN       GLU  42  -7.901  -4.559   2.301
  335    HA   GLU  42           HA       GLU  42  -8.513  -6.977   3.696
  336   1HB   GLU  42          HB2       GLU  42 -10.826  -6.387   3.401
  337   2HB   GLU  42          HB1       GLU  42  -9.933  -4.926   3.796
  338   1HG   GLU  42          HG2       GLU  42 -10.318  -3.977   1.788
  339   2HG   GLU  42          HG1       GLU  42 -10.267  -5.513   0.925
  340    H    ASP  43           HN       ASP  43  -8.200  -6.082   0.371
  341    HA   ASP  43           HA       ASP  43  -9.457  -8.520  -0.546
  342   1HB   ASP  43          HB2       ASP  43  -8.235  -6.127  -1.863
  343   2HB   ASP  43          HB1       ASP  43  -8.359  -7.622  -2.788
  344    H    ILE  44           HN       ILE  44  -6.292  -7.302   0.188
  345    HA   ILE  44           HA       ILE  44  -4.946  -9.522  -1.098
  346    HB   ILE  44           HB       ILE  44  -3.765  -7.405   0.699
  347   1HG1  ILE  44          HG12      ILE  44  -4.008  -7.494  -2.317
  348   2HG1  ILE  44          HG11      ILE  44  -4.838  -6.379  -1.241
  349   1HG2  ILE  44          HG21      ILE  44  -2.561  -9.435  -1.162
  350   2HG2  ILE  44          HG22      ILE  44  -2.252  -9.207   0.560
  351   3HG2  ILE  44          HG23      ILE  44  -1.680  -8.011  -0.605
  352   1HD1  ILE  44          HD11      ILE  44  -2.871  -5.220  -0.744
  353   2HD1  ILE  44          HD12      ILE  44  -2.800  -5.518  -2.481
  354   3HD1  ILE  44          HD13      ILE  44  -1.851  -6.512  -1.376
  355    H    HIS  45           HN       HIS  45  -5.294  -8.308   2.238
  356    HA   HIS  45           HA       HIS  45  -4.019 -10.509   3.438
  357   1HB   HIS  45          HB2       HIS  45  -4.453  -9.479   5.421
  358   2HB   HIS  45          HB1       HIS  45  -4.818  -8.119   4.369
  359    HD1  HIS  45           HD1      HIS  45  -6.070  -9.193   7.288
  360    HD2  HIS  45           HD2      HIS  45  -7.878  -8.850   3.564
  361    HE1  HIS  45           HE1      HIS  45  -8.537  -9.042   7.753
  362    HE2  HIS  45           HE2      HIS  45  -9.605  -8.742   5.491
  363    H    ASP  46           HN       ASP  46  -7.254 -10.062   2.238
  364    HA   ASP  46           HA       ASP  46  -8.264 -12.405   3.629
  365   1HB   ASP  46          HB2       ASP  46  -9.682 -10.366   3.160
  366   2HB   ASP  46          HB1       ASP  46  -9.626 -10.805   1.455
  367    H    PHE  47           HN       PHE  47  -7.210 -11.423   0.438
  368    HA   PHE  47           HA       PHE  47  -7.967 -13.885  -0.835
  369   1HB   PHE  47          HB2       PHE  47  -6.365 -11.502  -1.655
  370   2HB   PHE  47          HB1       PHE  47  -6.226 -12.981  -2.595
  371    HD1  PHE  47           HD1      PHE  47  -9.254 -11.647  -0.917
  372    HD2  PHE  47           HD2      PHE  47  -7.261 -12.411  -4.600
  373    HE1  PHE  47           HE1      PHE  47 -11.309 -11.076  -2.143
  374    HE2  PHE  47           HE2      PHE  47  -9.313 -11.840  -5.832
  375    HZ   PHE  47           HZ       PHE  47 -11.340 -11.171  -4.604
  376    H    MET  48           HN       MET  48  -4.938 -12.598   0.469
  377    HA   MET  48           HA       MET  48  -3.166 -14.529  -0.388
  378   1HB   MET  48          HB2       MET  48  -1.762 -13.922   1.480
  379   2HB   MET  48          HB1       MET  48  -2.541 -12.478   0.849
  380   1HG   MET  48          HG2       MET  48  -4.105 -12.457   2.663
  381   2HG   MET  48          HG1       MET  48  -3.505 -14.007   3.250
  382   1HE   MET  48          HE1       MET  48  -2.302 -10.312   2.394
  383   2HE   MET  48          HE2       MET  48  -1.084 -11.411   1.747
  384   3HE   MET  48          HE3       MET  48  -0.692 -10.366   3.112
  385    H    GLN  49           HN       GLN  49  -5.697 -14.831   1.952
  386    HA   GLN  49           HA       GLN  49  -4.612 -17.284   3.060
  387   1HB   GLN  49          HB2       GLN  49  -7.028 -15.602   3.635
  388   2HB   GLN  49          HB1       GLN  49  -6.929 -17.245   4.251
  389   1HG   GLN  49          HG2       GLN  49  -4.669 -16.547   5.221
  390   2HG   GLN  49          HG1       GLN  49  -5.192 -14.895   4.899
  391   1HE2  GLN  49          HE21      GLN  49  -4.620 -15.765   7.448
  392   2HE2  GLN  49          HE22      GLN  49  -6.076 -15.813   8.376
  393    H    GLY  50           HN       GLY  50  -5.860 -16.736   0.183
  394   1HA   GLY  50          HA2       GLY  50  -6.377 -18.686  -1.177
  395   2HA   GLY  50          HA1       GLY  50  -7.335 -19.291   0.163
  396    H    GLY  51           HN       GLY  51  -7.589 -15.924  -0.560
  397   1HA   GLY  51          HA2       GLY  51 -10.332 -16.386  -1.478
  398   2HA   GLY  51          HA1       GLY  51  -9.686 -14.866  -0.879
  399    H    GLY  52           HN       GLY  52  -7.941 -16.743  -3.245
  400   1HA   GLY  52          HA2       GLY  52  -8.017 -16.509  -5.613
  401   2HA   GLY  52          HA1       GLY  52  -8.924 -15.018  -5.408
  402    H    SER  53           HN       SER  53  -6.038 -15.718  -3.570
  403    HA   SER  53           HA       SER  53  -4.803 -13.290  -4.312
  404   1HB   SER  53          HB2       SER  53  -4.388 -15.287  -2.371
  405   2HB   SER  53          HB1       SER  53  -2.889 -15.191  -3.293
  406    HG   SER  53           HG       SER  53  -2.696 -13.064  -2.763
  407    H    GLY  54           HN       GLY  54  -4.983 -16.252  -5.950
  408   1HA   GLY  54          HA2       GLY  54  -2.416 -16.045  -7.266
  409   2HA   GLY  54          HA1       GLY  54  -3.676 -17.219  -7.611
  410    H    GLY  55           HN       GLY  55  -2.934 -13.756  -7.972
  411   1HA   GLY  55          HA2       GLY  55  -2.898 -13.113 -10.432
  412   2HA   GLY  55          HA1       GLY  55  -4.521 -13.783 -10.461
  413    H    LYS  56           HN       LYS  56  -4.499 -12.517  -7.536
  414    HA   LYS  56           HA       LYS  56  -5.790 -10.065  -8.410
  415   1HB   LYS  56          HB2       LYS  56  -6.834 -11.572  -6.725
  416   2HB   LYS  56          HB1       LYS  56  -5.507 -11.216  -5.631
  417   1HG   LYS  56          HG2       LYS  56  -7.084  -8.954  -6.742
  418   2HG   LYS  56          HG1       LYS  56  -7.793  -9.947  -5.468
  419   1HD   LYS  56          HD2       LYS  56  -5.065  -8.690  -5.242
  420   2HD   LYS  56          HD1       LYS  56  -6.540  -7.892  -4.705
  421   1HE   LYS  56          HE2       LYS  56  -5.820  -8.881  -2.762
  422   2HE   LYS  56          HE1       LYS  56  -6.929 -10.095  -3.390
  423   1HZ   LYS  56          HZ1       LYS  56  -4.214 -10.401  -4.306
  424   2HZ   LYS  56          HZ2       LYS  56  -5.281 -11.553  -3.679
  425   3HZ   LYS  56          HZ3       LYS  56  -4.390 -10.570  -2.632
  426    H    LEU  57           HN       LEU  57  -2.940 -11.073  -6.631
  427    HA   LEU  57           HA       LEU  57  -2.287  -8.544  -5.588
  428   1HB   LEU  57          HB2       LEU  57  -1.119 -11.158  -5.657
  429   2HB   LEU  57          HB1       LEU  57   0.112  -9.972  -6.039
  430    HG   LEU  57           HG       LEU  57   0.337 -10.125  -3.758
  431   1HD1  LEU  57          HD11      LEU  57  -1.839  -8.051  -3.847
  432   2HD1  LEU  57          HD12      LEU  57  -0.208  -7.770  -4.455
  433   3HD1  LEU  57          HD13      LEU  57  -0.464  -8.138  -2.750
  434   1HD2  LEU  57          HD21      LEU  57  -1.913 -11.532  -3.768
  435   2HD2  LEU  57          HD22      LEU  57  -2.539 -10.040  -3.064
  436   3HD2  LEU  57          HD23      LEU  57  -1.205 -10.891  -2.285
  437    H    GLN  58           HN       GLN  58  -2.227  -9.602  -8.808
  438    HA   GLN  58           HA       GLN  58   0.002  -7.908  -9.546
  439   1HB   GLN  58          HB2       GLN  58  -0.292  -8.706 -11.787
  440   2HB   GLN  58          HB1       GLN  58  -0.433 -10.081 -10.701
  441   1HG   GLN  58          HG2       GLN  58  -2.960  -9.674 -10.844
  442   2HG   GLN  58          HG1       GLN  58  -2.576  -8.680 -12.248
  443   1HE2  GLN  58          HE21      GLN  58  -4.173 -10.746 -12.683
  444   2HE2  GLN  58          HE22      GLN  58  -3.350 -12.028 -13.498
  445    H    GLU  59           HN       GLU  59  -3.502  -7.959 -10.176
  446    HA   GLU  59           HA       GLU  59  -3.369  -5.311 -11.343
  447   1HB   GLU  59          HB2       GLU  59  -5.646  -7.225 -10.837
  448   2HB   GLU  59          HB1       GLU  59  -5.890  -5.607 -11.481
  449   1HG   GLU  59          HG2       GLU  59  -4.349  -6.212 -13.353
  450   2HG   GLU  59          HG1       GLU  59  -4.362  -7.866 -12.744
  451    H    MET  60           HN       MET  60  -4.268  -6.806  -8.324
  452    HA   MET  60           HA       MET  60  -5.559  -4.459  -7.286
  453   1HB   MET  60          HB2       MET  60  -6.089  -6.797  -6.546
  454   2HB   MET  60          HB1       MET  60  -4.526  -6.834  -5.739
  455   1HG   MET  60          HG2       MET  60  -5.637  -6.100  -3.957
  456   2HG   MET  60          HG1       MET  60  -5.592  -4.532  -4.761
  457   1HE   MET  60          HE1       MET  60  -7.136  -3.463  -5.904
  458   2HE   MET  60          HE2       MET  60  -8.831  -3.470  -5.415
  459   3HE   MET  60          HE3       MET  60  -8.328  -4.336  -6.866
  460    H    MET  61           HN       MET  61  -2.325  -5.855  -7.196
  461    HA   MET  61           HA       MET  61  -1.261  -4.393  -5.067
  462   1HB   MET  61          HB2       MET  61   0.122  -6.067  -5.943
  463   2HB   MET  61          HB1       MET  61  -0.042  -5.477  -7.591
  464   1HG   MET  61          HG2       MET  61   1.195  -3.560  -5.772
  465   2HG   MET  61          HG1       MET  61   2.094  -5.065  -5.944
  466   1HE   MET  61          HE1       MET  61   2.612  -6.145  -7.911
  467   2HE   MET  61          HE2       MET  61   3.907  -5.160  -8.594
  468   3HE   MET  61          HE3       MET  61   2.491  -5.553  -9.568
  469    H    LYS  62           HN       LYS  62  -1.752  -3.460  -8.432
  470    HA   LYS  62           HA       LYS  62  -0.376  -1.004  -8.327
  471   1HB   LYS  62          HB2       LYS  62  -1.351  -2.353 -10.352
  472   2HB   LYS  62          HB1       LYS  62  -2.789  -1.383 -10.061
  473   1HG   LYS  62          HG2       LYS  62  -0.611   0.397 -10.056
  474   2HG   LYS  62          HG1       LYS  62  -0.381  -0.683 -11.432
  475   1HD   LYS  62          HD2       LYS  62  -3.127   0.303 -11.075
  476   2HD   LYS  62          HD1       LYS  62  -1.935   1.546 -11.461
  477   1HE   LYS  62          HE2       LYS  62  -1.180  -0.061 -13.324
  478   2HE   LYS  62          HE1       LYS  62  -2.724  -0.869 -13.054
  479   1HZ   LYS  62          HZ1       LYS  62  -2.196   1.818 -14.120
  480   2HZ   LYS  62          HZ2       LYS  62  -3.651   1.529 -13.307
  481   3HZ   LYS  62          HZ3       LYS  62  -3.259   0.628 -14.684
  482    H    GLU  63           HN       GLU  63  -3.347  -1.984  -6.944
  483    HA   GLU  63           HA       GLU  63  -4.555   0.620  -6.909
  484   1HB   GLU  63          HB2       GLU  63  -5.575  -1.866  -6.646
  485   2HB   GLU  63          HB1       GLU  63  -5.475  -1.395  -4.955
  486   1HG   GLU  63          HG2       GLU  63  -7.380  -0.314  -5.191
  487   2HG   GLU  63          HG1       GLU  63  -6.562   0.805  -6.281
  488    H    PHE  64           HN       PHE  64  -2.486  -1.221  -4.737
  489    HA   PHE  64           HA       PHE  64  -2.896   0.705  -2.610
  490   1HB   PHE  64          HB2       PHE  64  -1.817  -0.778  -1.193
  491   2HB   PHE  64          HB1       PHE  64  -2.526  -1.880  -2.365
  492    HD1  PHE  64           HD1      PHE  64   0.631  -0.075  -1.590
  493    HD2  PHE  64           HD2      PHE  64  -1.218  -3.444  -3.410
  494    HE1  PHE  64           HE1      PHE  64   2.842  -1.086  -1.966
  495    HE2  PHE  64           HE2      PHE  64   0.990  -4.456  -3.800
  496    HZ   PHE  64           HZ       PHE  64   3.022  -3.274  -3.070
  497    H    GLN  65           HN       GLN  65  -0.767   0.069  -5.222
  498    HA   GLN  65           HA       GLN  65   1.363   1.768  -4.249
  499   1HB   GLN  65          HB2       GLN  65   1.502  -0.298  -5.874
  500   2HB   GLN  65          HB1       GLN  65   1.121   0.899  -7.105
  501   1HG   GLN  65          HG2       GLN  65   3.162   2.030  -5.570
  502   2HG   GLN  65          HG1       GLN  65   3.618   0.343  -5.800
  503   1HE2  GLN  65          HE21      GLN  65   4.346   3.146  -6.958
  504   2HE2  GLN  65          HE22      GLN  65   4.485   2.825  -8.650
  505    H    GLN  66           HN       GLN  66  -1.400   1.950  -6.388
  506    HA   GLN  66           HA       GLN  66  -0.847   4.286  -7.786
  507   1HB   GLN  66          HB2       GLN  66  -2.745   2.873  -8.340
  508   2HB   GLN  66          HB1       GLN  66  -3.507   3.244  -6.800
  509   1HG   GLN  66          HG2       GLN  66  -3.538   5.656  -7.540
  510   2HG   GLN  66          HG1       GLN  66  -3.068   5.077  -9.138
  511   1HE2  GLN  66          HE21      GLN  66  -5.588   6.234  -7.680
  512   2HE2  GLN  66          HE22      GLN  66  -6.865   5.278  -8.344
  513    H    VAL  67           HN       VAL  67  -2.159   3.852  -4.546
  514    HA   VAL  67           HA       VAL  67  -3.009   6.422  -3.957
  515    HB   VAL  67           HB       VAL  67  -1.786   4.242  -2.289
  516   1HG1  VAL  67          HG11      VAL  67  -1.006   5.830  -0.895
  517   2HG1  VAL  67          HG12      VAL  67  -2.684   5.870  -0.355
  518   3HG1  VAL  67          HG13      VAL  67  -2.095   7.070  -1.505
  519   1HG2  VAL  67          HG21      VAL  67  -3.910   3.603  -2.264
  520   2HG2  VAL  67          HG22      VAL  67  -4.430   5.095  -3.046
  521   3HG2  VAL  67          HG23      VAL  67  -4.270   5.029  -1.291
  522    H    LEU  68           HN       LEU  68   0.250   5.049  -3.770
  523    HA   LEU  68           HA       LEU  68   1.501   7.405  -2.783
  524   1HB   LEU  68          HB2       LEU  68   2.359   4.781  -3.837
  525   2HB   LEU  68          HB1       LEU  68   3.530   6.087  -3.942
  526    HG   LEU  68           HG       LEU  68   2.695   6.389  -1.382
  527   1HD1  LEU  68          HD11      LEU  68   3.041   3.685  -0.852
  528   2HD1  LEU  68          HD12      LEU  68   1.869   3.733  -2.168
  529   3HD1  LEU  68          HD13      LEU  68   1.555   4.619  -0.675
  530   1HD2  LEU  68          HD21      LEU  68   4.771   4.516  -1.222
  531   2HD2  LEU  68          HD22      LEU  68   4.913   6.272  -1.270
  532   3HD2  LEU  68          HD23      LEU  68   4.997   5.341  -2.764
  533    H    ASP  69           HN       ASP  69   0.105   6.785  -5.762
  534    HA   ASP  69           HA       ASP  69   1.969   8.185  -7.440
  535   1HB   ASP  69          HB2       ASP  69   0.199   6.443  -8.167
  536   2HB   ASP  69          HB1       ASP  69  -0.952   7.772  -8.063
  537    H    GLU  70           HN       GLU  70  -1.338   8.929  -6.297
  538    HA   GLU  70           HA       GLU  70  -1.519  11.602  -7.002
  539   1HB   GLU  70          HB2       GLU  70  -3.136   9.950  -5.636
  540   2HB   GLU  70          HB1       GLU  70  -2.437  10.802  -4.262
  541   1HG   GLU  70          HG2       GLU  70  -4.099  12.230  -4.558
  542   2HG   GLU  70          HG1       GLU  70  -3.122  12.864  -5.884
  543    H    LEU  71           HN       LEU  71  -0.066  10.040  -4.294
  544    HA   LEU  71           HA       LEU  71   0.771  12.305  -2.833
  545   1HB   LEU  71          HB2       LEU  71   0.402  10.276  -1.723
  546   2HB   LEU  71          HB1       LEU  71   1.385   9.382  -2.857
  547    HG   LEU  71           HG       LEU  71   3.141  11.206  -1.686
  548   1HD1  LEU  71          HD11      LEU  71   0.935  10.685   0.059
  549   2HD1  LEU  71          HD12      LEU  71   2.358  11.682   0.337
  550   3HD1  LEU  71          HD13      LEU  71   2.399   9.959   0.716
  551   1HD2  LEU  71          HD21      LEU  71   4.037   9.175  -2.155
  552   2HD2  LEU  71          HD22      LEU  71   2.598   8.299  -1.652
  553   3HD2  LEU  71          HD23      LEU  71   3.709   8.925  -0.442
  554    H    ASN  72           HN       ASN  72   2.827   9.849  -4.398
  555    HA   ASN  72           HA       ASN  72   5.199  11.241  -4.313
  556   1HB   ASN  72          HB2       ASN  72   4.867   8.833  -4.991
  557   2HB   ASN  72          HB1       ASN  72   4.404   9.418  -6.587
  558   1HD2  ASN  72          HD21      ASN  72   6.156   8.292  -7.490
  559   2HD2  ASN  72          HD22      ASN  72   7.771   8.893  -7.365
  560    H    ASN  73           HN       ASN  73   2.509  11.715  -6.448
  561    HA   ASN  73           HA       ASN  73   4.040  13.356  -8.290
  562   1HB   ASN  73          HB2       ASN  73   2.183  11.857  -9.058
  563   2HB   ASN  73          HB1       ASN  73   1.051  12.907  -8.209
  564   1HD2  ASN  73          HD21      ASN  73   0.482  14.837  -9.088
  565   2HD2  ASN  73          HD22      ASN  73   0.977  15.355 -10.661
  566    H    HIS  74           HN       HIS  74   3.163  13.944  -5.281
  567    HA   HIS  74           HA       HIS  74   2.986  16.788  -5.696
  568   1HB   HIS  74          HB2       HIS  74   0.616  15.189  -4.861
  569   2HB   HIS  74          HB1       HIS  74   0.882  16.744  -4.080
  570    HD1  HIS  74           HD1      HIS  74   1.700  18.539  -6.313
  571    HD2  HIS  74           HD2      HIS  74  -1.243  15.641  -6.766
  572    HE1  HIS  74           HE1      HIS  74   0.306  19.296  -8.264
  573    HE2  HIS  74           HE2      HIS  74  -1.520  17.572  -8.464
  574    H    LEU  75           HN       LEU  75   4.859  15.037  -4.419
  575    HA   LEU  75           HA       LEU  75   4.643  14.916  -1.632
  576   1HB   LEU  75          HB2       LEU  75   6.702  14.618  -3.603
  577   2HB   LEU  75          HB1       LEU  75   7.318  15.622  -2.307
  578    HG   LEU  75           HG       LEU  75   7.945  13.515  -1.619
  579   1HD1  LEU  75          HD11      LEU  75   6.844  13.143   0.357
  580   2HD1  LEU  75          HD12      LEU  75   5.251  13.404  -0.355
  581   3HD1  LEU  75          HD13      LEU  75   6.304  14.779  -0.021
  582   1HD2  LEU  75          HD21      LEU  75   6.704  12.366  -3.447
  583   2HD2  LEU  75          HD22      LEU  75   5.271  12.393  -2.421
  584   3HD2  LEU  75          HD23      LEU  75   6.704  11.500  -1.911
  585    H    GLN  76           HN       GLN  76   3.597  16.795  -0.943
  586    HA   GLN  76           HA       GLN  76   4.399  19.403  -1.547
  587   1HB   GLN  76          HB2       GLN  76   2.182  18.854  -0.651
  588   2HB   GLN  76          HB1       GLN  76   2.907  18.398   0.885
  589   1HG   GLN  76          HG2       GLN  76   2.404  20.486   1.490
  590   2HG   GLN  76          HG1       GLN  76   3.859  20.917   0.592
  591   1HE2  GLN  76          HE21      GLN  76   1.212  22.275   1.137
  592   2HE2  GLN  76          HE22      GLN  76   0.680  22.800  -0.420
  593    H    GLY  77           HN       GLY  77   6.779  18.905  -1.258
  594   1HA   GLY  77          HA2       GLY  77   8.749  19.260  -0.132
  595   2HA   GLY  77          HA1       GLY  77   7.813  20.321   0.911
  596    H    GLY  78           HN       GLY  78   7.131  16.905   0.577
  597   1HA   GLY  78          HA2       GLY  78   8.284  16.458   3.257
  598   2HA   GLY  78          HA1       GLY  78   6.662  15.914   2.863
  599    H    LYS  79           HN       LYS  79   9.519  15.776   0.792
  600    HA   LYS  79           HA       LYS  79   9.116  13.240  -0.180
  601   1HB   LYS  79          HB2       LYS  79  11.853  14.386   0.350
  602   2HB   LYS  79          HB1       LYS  79  11.392  13.250  -0.909
  603   1HG   LYS  79          HG2       LYS  79  11.002  14.924  -2.297
  604   2HG   LYS  79          HG1       LYS  79   9.793  15.580  -1.193
  605   1HD   LYS  79          HD2       LYS  79  12.573  16.089  -0.403
  606   2HD   LYS  79          HD1       LYS  79  12.092  16.849  -1.922
  607   1HE   LYS  79          HE2       LYS  79  10.010  17.627  -0.612
  608   2HE   LYS  79          HE1       LYS  79  10.953  17.231   0.824
  609   1HZ   LYS  79          HZ1       LYS  79  11.392  19.465   0.455
  610   2HZ   LYS  79          HZ2       LYS  79  11.494  19.286  -1.224
  611   3HZ   LYS  79          HZ3       LYS  79  12.735  18.700  -0.235
  612    H    HIS  80           HN       HIS  80  10.567  14.184   2.854
  613    HA   HIS  80           HA       HIS  80  11.791  11.739   3.515
  614   1HB   HIS  80          HB2       HIS  80  12.073  14.013   4.654
  615   2HB   HIS  80          HB1       HIS  80  10.591  13.637   5.527
  616    HD1  HIS  80           HD1      HIS  80  10.917  12.459   7.677
  617    HD2  HIS  80           HD2      HIS  80  14.129  11.895   5.102
  618    HE1  HIS  80           HE1      HIS  80  12.605  11.136   8.989
  619    HE2  HIS  80           HE2      HIS  80  14.500  10.725   7.378
  620    H    THR  81           HN       THR  81   8.488  12.850   3.769
  621    HA   THR  81           HA       THR  81   7.553  10.833   5.530
  622    HB   THR  81           HB       THR  81   6.284  12.755   3.623
  623    HG1  THR  81           HG1      THR  81   5.257  13.355   5.645
  624   1HG2  THR  81          HG21      THR  81   4.126  11.794   4.961
  625   2HG2  THR  81          HG22      THR  81   5.002  10.305   4.574
  626   3HG2  THR  81          HG23      THR  81   4.534  11.423   3.282
  627    H    VAL  82           HN       VAL  82   6.694  11.208   2.115
  628    HA   VAL  82           HA       VAL  82   5.827   8.616   1.682
  629    HB   VAL  82           HB       VAL  82   7.252  10.329  -0.358
  630   1HG1  VAL  82          HG11      VAL  82   6.968   8.067  -1.122
  631   2HG1  VAL  82          HG12      VAL  82   5.796   9.089  -1.951
  632   3HG1  VAL  82          HG13      VAL  82   5.281   8.059  -0.615
  633   1HG2  VAL  82          HG21      VAL  82   5.537  11.670   0.585
  634   2HG2  VAL  82          HG22      VAL  82   4.396  10.331   0.590
  635   3HG2  VAL  82          HG23      VAL  82   4.906  11.048  -0.938
  636    H    HIS  83           HN       HIS  83   9.137   9.909   1.490
  637    HA   HIS  83           HA       HIS  83  10.446   7.811   0.297
  638   1HB   HIS  83          HB2       HIS  83  11.188   9.872   2.257
  639   2HB   HIS  83          HB1       HIS  83  12.165   8.414   2.369
  640    HD1  HIS  83           HD1      HIS  83  12.932  11.377   1.219
  641    HD2  HIS  83           HD2      HIS  83  12.357   7.857  -0.909
  642    HE1  HIS  83           HE1      HIS  83  14.202  11.676  -0.930
  643    HE2  HIS  83           HE2      HIS  83  13.898   9.505  -2.172
  644    H    HIS  84           HN       HIS  84   9.302   8.088   3.615
  645    HA   HIS  84           HA       HIS  84  10.302   5.513   4.405
  646   1HB   HIS  84          HB2       HIS  84   9.333   7.771   5.735
  647   2HB   HIS  84          HB1       HIS  84   8.133   6.524   6.056
  648    HD1  HIS  84           HD1      HIS  84  11.328   7.758   7.206
  649    HD2  HIS  84           HD2      HIS  84   9.375   4.091   7.197
  650    HE1  HIS  84           HE1      HIS  84  12.516   6.360   8.923
  651    HE2  HIS  84           HE2      HIS  84  11.375   4.116   8.836
  652    H    ILE  85           HN       ILE  85   7.347   6.768   3.046
  653    HA   ILE  85           HA       ILE  85   5.900   4.320   3.564
  654    HB   ILE  85           HB       ILE  85   4.007   5.444   3.209
  655   1HG1  ILE  85          HG12      ILE  85   4.713   7.314   1.068
  656   2HG1  ILE  85          HG11      ILE  85   4.810   5.615   0.625
  657   1HG2  ILE  85          HG21      ILE  85   4.170   7.941   3.290
  658   2HG2  ILE  85          HG22      ILE  85   5.915   7.717   3.293
  659   3HG2  ILE  85          HG23      ILE  85   4.943   7.038   4.593
  660   1HD1  ILE  85          HD11      ILE  85   2.385   6.519   2.068
  661   2HD1  ILE  85          HD12      ILE  85   2.567   5.293   0.819
  662   3HD1  ILE  85          HD13      ILE  85   2.573   7.000   0.383
  663    H    GLU  86           HN       GLU  86   7.648   5.780   0.928
  664    HA   GLU  86           HA       GLU  86   6.674   3.895  -1.033
  665   1HB   GLU  86          HB2       GLU  86   8.522   4.885  -2.457
  666   2HB   GLU  86          HB1       GLU  86   7.285   6.010  -1.924
  667   1HG   GLU  86          HG2       GLU  86   8.737   7.253  -0.796
  668   2HG   GLU  86          HG1       GLU  86   9.565   5.854  -0.120
  669    H    GLN  87           HN       GLN  87   9.695   4.388   0.806
  670    HA   GLN  87           HA       GLN  87  11.062   2.163  -0.249
  671   1HB   GLN  87          HB2       GLN  87  11.318   3.863   2.171
  672   2HB   GLN  87          HB1       GLN  87  12.043   2.268   2.270
  673   1HG   GLN  87          HG2       GLN  87  13.541   4.156   1.516
  674   2HG   GLN  87          HG1       GLN  87  13.528   2.705   0.517
  675   1HE2  GLN  87          HE21      GLN  87  12.823   2.820  -1.558
  676   2HE2  GLN  87          HE22      GLN  87  12.365   4.292  -2.340
  677    H    ASN  88           HN       ASN  88   8.531   2.546   2.057
  678    HA   ASN  88           HA       ASN  88   8.712  -0.137   3.102
  679   1HB   ASN  88          HB2       ASN  88   7.020   2.260   3.602
  680   2HB   ASN  88          HB1       ASN  88   6.304   0.690   3.954
  681   1HD2  ASN  88          HD21      ASN  88   9.574   2.019   4.318
  682   2HD2  ASN  88          HD22      ASN  88   9.719   1.654   6.000
  683    H    ILE  89           HN       ILE  89   6.014   1.613   1.523
  684    HA   ILE  89           HA       ILE  89   4.550  -0.593   0.777
  685    HB   ILE  89           HB       ILE  89   4.486   2.197   0.092
  686   1HG1  ILE  89          HG12      ILE  89   2.157   0.596  -0.571
  687   2HG1  ILE  89          HG11      ILE  89   2.826   0.187   1.004
  688   1HG2  ILE  89          HG21      ILE  89   3.956   0.308  -2.203
  689   2HG2  ILE  89          HG22      ILE  89   5.081   1.666  -2.170
  690   3HG2  ILE  89          HG23      ILE  89   3.340   1.957  -2.125
  691   1HD1  ILE  89          HD11      ILE  89   1.598   1.875   1.777
  692   2HD1  ILE  89          HD12      ILE  89   1.333   2.538   0.165
  693   3HD1  ILE  89          HD13      ILE  89   2.805   2.936   1.050
  694    H    LYS  90           HN       LYS  90   7.259   0.878  -0.955
  695    HA   LYS  90           HA       LYS  90   6.932  -0.670  -3.264
  696   1HB   LYS  90          HB2       LYS  90   9.405   0.621  -2.101
  697   2HB   LYS  90          HB1       LYS  90   9.392  -0.193  -3.656
  698   1HG   LYS  90          HG2       LYS  90   7.534   2.075  -3.014
  699   2HG   LYS  90          HG1       LYS  90   9.146   2.321  -3.689
  700   1HD   LYS  90          HD2       LYS  90   7.093   0.525  -4.965
  701   2HD   LYS  90          HD1       LYS  90   7.239   2.241  -5.352
  702   1HE   LYS  90          HE2       LYS  90   9.492   1.929  -6.128
  703   2HE   LYS  90          HE1       LYS  90   9.494   0.253  -5.582
  704   1HZ   LYS  90          HZ1       LYS  90   8.159  -0.407  -7.305
  705   2HZ   LYS  90          HZ2       LYS  90   9.051   0.815  -8.062
  706   3HZ   LYS  90          HZ3       LYS  90   7.475   1.124  -7.531
  707    H    GLU  91           HN       GLU  91   8.138  -1.396  -0.137
  708    HA   GLU  91           HA       GLU  91   9.451  -3.850  -0.993
  709   1HB   GLU  91          HB2       GLU  91  10.027  -2.143   1.031
  710   2HB   GLU  91          HB1       GLU  91   9.046  -3.321   1.891
  711   1HG   GLU  91          HG2       GLU  91  10.563  -5.089   0.872
  712   2HG   GLU  91          HG1       GLU  91  11.629  -3.754   0.434
  713    H    ILE  92           HN       ILE  92   6.363  -2.812  -0.254
  714    HA   ILE  92           HA       ILE  92   5.413  -5.152   1.094
  715    HB   ILE  92           HB       ILE  92   4.209  -2.622   0.114
  716   1HG1  ILE  92          HG12      ILE  92   3.048  -3.015   2.419
  717   2HG1  ILE  92          HG11      ILE  92   4.299  -4.234   2.629
  718   1HG2  ILE  92          HG21      ILE  92   1.920  -3.469   0.501
  719   2HG2  ILE  92          HG22      ILE  92   2.574  -5.107   0.574
  720   3HG2  ILE  92          HG23      ILE  92   2.695  -4.174  -0.918
  721   1HD1  ILE  92          HD11      ILE  92   5.540  -1.896   1.685
  722   2HD1  ILE  92          HD12      ILE  92   5.708  -2.665   3.261
  723   3HD1  ILE  92          HD13      ILE  92   4.469  -1.434   3.005
  724    H    PHE  93           HN       PHE  93   4.857  -3.726  -2.132
  725    HA   PHE  93           HA       PHE  93   3.362  -5.701  -3.288
  726   1HB   PHE  93          HB2       PHE  93   3.859  -4.736  -5.309
  727   2HB   PHE  93          HB1       PHE  93   4.417  -3.455  -4.240
  728    HD1  PHE  93           HD1      PHE  93   5.539  -6.371  -6.209
  729    HD2  PHE  93           HD2      PHE  93   6.647  -2.762  -4.247
  730    HE1  PHE  93           HE1      PHE  93   7.780  -6.540  -7.187
  731    HE2  PHE  93           HE2      PHE  93   8.896  -2.916  -5.239
  732    HZ   PHE  93           HZ       PHE  93   9.468  -4.806  -6.714
  733    H    HIS  94           HN       HIS  94   6.893  -5.630  -2.960
  734    HA   HIS  94           HA       HIS  94   7.475  -7.967  -4.374
  735   1HB   HIS  94          HB2       HIS  94   9.066  -6.181  -3.332
  736   2HB   HIS  94          HB1       HIS  94   9.003  -7.202  -1.899
  737    HD1  HIS  94           HD1      HIS  94  11.649  -7.413  -2.453
  738    HD2  HIS  94           HD2      HIS  94   9.035  -9.321  -5.061
  739    HE1  HIS  94           HE1      HIS  94  13.054  -9.070  -3.720
  740    HE2  HIS  94           HE2      HIS  94  11.467 -10.154  -5.350
  741    H    HIS  95           HN       HIS  95   7.224  -7.593  -0.839
  742    HA   HIS  95           HA       HIS  95   7.159 -10.352  -0.284
  743   1HB   HIS  95          HB2       HIS  95   6.255  -7.927   1.259
  744   2HB   HIS  95          HB1       HIS  95   6.063  -9.555   1.902
  745    HD1  HIS  95           HD1      HIS  95   8.589 -10.926   1.590
  746    HD2  HIS  95           HD2      HIS  95   8.493  -6.826   2.265
  747    HE1  HIS  95           HE1      HIS  95  10.856 -10.342   2.506
  748    HE2  HIS  95           HE2      HIS  95  10.806  -7.843   2.820
  749    H    LEU  96           HN       LEU  96   4.857  -8.359  -1.758
  750    HA   LEU  96           HA       LEU  96   2.554  -9.888  -0.850
  751   1HB   LEU  96          HB2       LEU  96   2.919  -7.541  -2.692
  752   2HB   LEU  96          HB1       LEU  96   1.383  -8.377  -2.557
  753    HG   LEU  96           HG       LEU  96   2.836  -6.829  -0.448
  754   1HD1  LEU  96          HD11      LEU  96   0.731  -5.544  -0.396
  755   2HD1  LEU  96          HD12      LEU  96   0.114  -6.547  -1.706
  756   3HD1  LEU  96          HD13      LEU  96   1.506  -5.503  -1.980
  757   1HD2  LEU  96          HD21      LEU  96   2.014  -8.778   0.663
  758   2HD2  LEU  96          HD22      LEU  96   0.448  -8.630  -0.135
  759   3HD2  LEU  96          HD23      LEU  96   0.951  -7.426   1.057
  760    H    GLU  97           HN       GLU  97   3.793  -8.978  -4.061
  761    HA   GLU  97           HA       GLU  97   2.460 -11.090  -5.386
  762   1HB   GLU  97          HB2       GLU  97   4.524  -9.075  -6.109
  763   2HB   GLU  97          HB1       GLU  97   4.390 -10.491  -7.141
  764   1HG   GLU  97          HG2       GLU  97   1.881  -9.088  -6.455
  765   2HG   GLU  97          HG1       GLU  97   2.994  -8.262  -7.544
  766    H    GLU  98           HN       GLU  98   5.210 -11.031  -3.409
  767    HA   GLU  98           HA       GLU  98   6.484 -13.322  -4.690
  768   1HB   GLU  98          HB2       GLU  98   7.884 -11.578  -3.660
  769   2HB   GLU  98          HB1       GLU  98   7.153 -11.915  -2.097
  770   1HG   GLU  98          HG2       GLU  98   9.130 -13.072  -1.966
  771   2HG   GLU  98          HG1       GLU  98   8.009 -14.325  -2.497
  772    H    LEU  99           HN       LEU  99   4.286 -12.622  -2.110
  773    HA   LEU  99           HA       LEU  99   4.556 -15.021  -0.642
  774   1HB   LEU  99          HB2       LEU  99   3.471 -13.083   0.318
  775   2HB   LEU  99          HB1       LEU  99   2.237 -13.112  -0.928
  776    HG   LEU  99           HG       LEU  99   1.632 -15.439  -0.005
  777   1HD1  LEU  99          HD11      LEU  99   2.135 -15.424   2.542
  778   2HD1  LEU  99          HD12      LEU  99   3.499 -14.405   2.082
  779   3HD1  LEU  99          HD13      LEU  99   3.349 -16.030   1.415
  780   1HD2  LEU  99          HD21      LEU  99  -0.037 -13.967   0.410
  781   2HD2  LEU  99          HD22      LEU  99   1.047 -12.763   1.107
  782   3HD2  LEU  99          HD23      LEU  99   0.536 -14.152   2.068
  783    H    VAL 100           HN       VAL 100   2.050 -14.020  -2.978
  784    HA   VAL 100           HA       VAL 100   0.819 -16.552  -3.135
  785    HB   VAL 100           HB       VAL 100   0.811 -14.411  -5.264
  786   1HG1  VAL 100          HG11      VAL 100  -0.681 -15.647  -6.357
  787   2HG1  VAL 100          HG12      VAL 100  -1.633 -15.906  -4.895
  788   3HG1  VAL 100          HG13      VAL 100  -0.280 -16.973  -5.265
  789   1HG2  VAL 100          HG21      VAL 100  -1.430 -13.868  -4.065
  790   2HG2  VAL 100          HG22      VAL 100   0.081 -13.241  -3.407
  791   3HG2  VAL 100          HG23      VAL 100  -0.675 -14.659  -2.682
  792    H    HIS 101           HN       HIS 101   3.413 -15.058  -4.999
  793    HA   HIS 101           HA       HIS 101   3.559 -16.940  -7.072
  794   1HB   HIS 101          HB2       HIS 101   5.324 -14.852  -5.957
  795   2HB   HIS 101          HB1       HIS 101   6.147 -16.144  -6.825
  796    HD1  HIS 101           HD1      HIS 101   6.247 -15.899  -9.293
  797    HD2  HIS 101           HD2      HIS 101   3.241 -13.572  -7.615
  798    HE1  HIS 101           HE1      HIS 101   5.312 -14.539 -11.190
  799    HE2  HIS 101           HE2      HIS 101   3.437 -13.202 -10.167
  800    H    ARG 102           HN       ARG 102   5.140 -16.842  -3.904
  801    HA   ARG 102           HA       ARG 102   6.774 -19.099  -4.245
  802   1HB   ARG 102          HB2       ARG 102   5.961 -17.364  -2.065
  803   2HB   ARG 102          HB1       ARG 102   6.099 -19.035  -1.535
  804   1HG   ARG 102          HG2       ARG 102   8.255 -17.523  -2.993
  805   2HG   ARG 102          HG1       ARG 102   8.173 -17.727  -1.242
  806   1HD   ARG 102          HD2       ARG 102   8.779 -19.914  -1.330
  807   2HD   ARG 102          HD1       ARG 102   7.993 -20.181  -2.886
  808    HE   ARG 102           HE       ARG 102   9.958 -19.644  -3.938
  809   1HH1  ARG 102          HH11      ARG 102  10.154 -18.668  -0.593
  810   2HH1  ARG 102          HH12      ARG 102  11.842 -18.292  -0.672
  811   1HH2  ARG 102          HH21      ARG 102  12.179 -19.150  -4.044
  812   2HH2  ARG 102          HH22      ARG 102  12.992 -18.565  -2.630
  Start of MODEL   11
    1   1H    MET   1           HT1      MET   1  -2.139 -22.024   6.219
    2   2H    MET   1           HT2      MET   1  -0.475 -22.198   5.836
    3   3H    MET   1           HT3      MET   1  -1.620 -23.319   5.223
    4    HA   MET   1           HA       MET   1  -1.128 -21.945   3.468
    5   1HB   MET   1          HB2       MET   1  -3.689 -21.718   4.860
    6   2HB   MET   1          HB1       MET   1  -3.392 -20.375   3.766
    7   1HG   MET   1          HG2       MET   1  -2.958 -22.002   1.955
    8   2HG   MET   1          HG1       MET   1  -3.394 -23.301   3.066
    9   1HE   MET   1          HE1       MET   1  -6.007 -21.901   0.116
   10   2HE   MET   1          HE2       MET   1  -4.249 -21.913   0.252
   11   3HE   MET   1          HE3       MET   1  -5.152 -20.446   0.628
   12    H    TYR   2           HN       TYR   2  -1.456 -19.596   2.619
   13    HA   TYR   2           HA       TYR   2   0.355 -17.936   4.098
   14   1HB   TYR   2          HB2       TYR   2  -1.226 -17.030   1.701
   15   2HB   TYR   2          HB1       TYR   2   0.378 -16.519   2.217
   16    HD1  TYR   2           HD1      TYR   2   2.334 -17.922   1.764
   17    HD2  TYR   2           HD2      TYR   2  -1.540 -19.049   0.418
   18    HE1  TYR   2           HE1      TYR   2   3.349 -19.563   0.240
   19    HE2  TYR   2           HE2      TYR   2  -0.537 -20.694  -1.110
   20    HH   TYR   2           HH       TYR   2   2.843 -20.790  -1.748
   21    H    GLY   3           HN       GLY   3  -0.052 -15.964   5.089
   22   1HA   GLY   3          HA2       GLY   3  -2.464 -14.560   5.064
   23   2HA   GLY   3          HA1       GLY   3  -2.541 -15.696   6.398
   24    H    LYS   4           HN       LYS   4   0.288 -15.560   6.990
   25    HA   LYS   4           HA       LYS   4   0.248 -13.388   8.791
   26   1HB   LYS   4          HB2       LYS   4   1.589 -15.523   9.043
   27   2HB   LYS   4          HB1       LYS   4   2.709 -14.867   7.854
   28   1HG   LYS   4          HG2       LYS   4   3.575 -14.489  10.060
   29   2HG   LYS   4          HG1       LYS   4   3.115 -12.944   9.340
   30   1HD   LYS   4          HD2       LYS   4   1.399 -12.620  10.801
   31   2HD   LYS   4          HD1       LYS   4   1.065 -14.346  10.958
   32   1HE   LYS   4          HE2       LYS   4   3.371 -12.853  12.204
   33   2HE   LYS   4          HE1       LYS   4   1.934 -13.437  13.043
   34   1HZ   LYS   4          HZ1       LYS   4   2.678 -15.711  12.101
   35   2HZ   LYS   4          HZ2       LYS   4   3.458 -15.086  13.466
   36   3HZ   LYS   4          HZ3       LYS   4   4.192 -14.971  11.946
   37    H    LEU   5           HN       LEU   5   1.036 -13.535   5.480
   38    HA   LEU   5           HA       LEU   5   2.971 -11.564   5.236
   39   1HB   LEU   5          HB2       LEU   5   1.399 -12.985   3.488
   40   2HB   LEU   5          HB1       LEU   5   0.795 -11.353   3.277
   41    HG   LEU   5           HG       LEU   5   2.505 -11.749   1.639
   42   1HD1  LEU   5          HD11      LEU   5   3.633 -10.042   3.853
   43   2HD1  LEU   5          HD12      LEU   5   2.402  -9.522   2.700
   44   3HD1  LEU   5          HD13      LEU   5   4.021  -9.934   2.136
   45   1HD2  LEU   5          HD21      LEU   5   3.653 -13.376   3.562
   46   2HD2  LEU   5          HD22      LEU   5   4.775 -12.022   3.432
   47   3HD2  LEU   5          HD23      LEU   5   4.350 -12.955   1.997
   48    H    ASN   6           HN       ASN   6  -0.306 -11.382   6.277
   49    HA   ASN   6           HA       ASN   6  -0.938  -8.749   5.738
   50   1HB   ASN   6          HB2       ASN   6  -2.431  -8.901   7.740
   51   2HB   ASN   6          HB1       ASN   6  -2.646 -10.182   6.552
   52   1HD2  ASN   6          HD21      ASN   6  -3.637 -10.696   8.928
   53   2HD2  ASN   6          HD22      ASN   6  -2.653 -11.803   9.818
   54    H    ASP   7           HN       ASP   7   0.743 -10.121   8.538
   55    HA   ASP   7           HA       ASP   7   1.024  -7.877  10.106
   56   1HB   ASP   7          HB2       ASP   7   1.799 -10.177  10.705
   57   2HB   ASP   7          HB1       ASP   7   3.179  -9.951   9.635
   58    H    LEU   8           HN       LEU   8   2.676  -8.731   7.159
   59    HA   LEU   8           HA       LEU   8   4.532  -6.507   7.359
   60   1HB   LEU   8          HB2       LEU   8   5.403  -8.527   6.407
   61   2HB   LEU   8          HB1       LEU   8   4.075  -8.631   5.268
   62    HG   LEU   8           HG       LEU   8   6.343  -7.879   4.372
   63   1HD1  LEU   8          HD11      LEU   8   4.695  -5.726   3.469
   64   2HD1  LEU   8          HD12      LEU   8   3.714  -7.177   3.679
   65   3HD1  LEU   8          HD13      LEU   8   5.138  -7.218   2.641
   66   1HD2  LEU   8          HD21      LEU   8   5.752  -5.099   5.033
   67   2HD2  LEU   8          HD22      LEU   8   7.290  -5.962   5.020
   68   3HD2  LEU   8          HD23      LEU   8   6.230  -6.070   6.425
   69    H    LEU   9           HN       LEU   9   1.483  -7.299   5.889
   70    HA   LEU   9           HA       LEU   9   1.528  -5.217   3.932
   71   1HB   LEU   9          HB2       LEU   9  -0.173  -7.384   4.653
   72   2HB   LEU   9          HB1       LEU   9  -1.143  -5.926   4.617
   73    HG   LEU   9           HG       LEU   9   0.566  -6.942   2.347
   74   1HD1  LEU   9          HD11      LEU   9  -1.406  -7.662   1.299
   75   2HD1  LEU   9          HD12      LEU   9  -2.431  -6.815   2.455
   76   3HD1  LEU   9          HD13      LEU   9  -1.531  -8.245   2.959
   77   1HD2  LEU   9          HD21      LEU   9  -1.465  -4.969   1.724
   78   2HD2  LEU   9          HD22      LEU   9   0.247  -5.000   1.303
   79   3HD2  LEU   9          HD23      LEU   9  -0.266  -4.351   2.859
   80    H    GLU  10           HN       GLU  10   0.198  -5.579   7.187
   81    HA   GLU  10           HA       GLU  10  -1.354  -3.330   7.422
   82   1HB   GLU  10          HB2       GLU  10  -0.870  -5.177   9.140
   83   2HB   GLU  10          HB1       GLU  10   0.504  -4.194   9.625
   84   1HG   GLU  10          HG2       GLU  10  -0.835  -3.067  10.970
   85   2HG   GLU  10          HG1       GLU  10  -1.690  -2.457   9.554
   86    H    ASP  11           HN       ASP  11   2.166  -3.545   7.756
   87    HA   ASP  11           HA       ASP  11   2.753  -1.027   8.700
   88   1HB   ASP  11          HB2       ASP  11   4.260  -3.097   7.910
   89   2HB   ASP  11          HB1       ASP  11   4.482  -2.054   6.509
   90    H    LEU  12           HN       LEU  12   2.100  -1.996   5.365
   91    HA   LEU  12           HA       LEU  12   2.678   0.426   4.116
   92   1HB   LEU  12          HB2       LEU  12   2.346  -0.986   2.420
   93   2HB   LEU  12          HB1       LEU  12   1.428  -2.084   3.426
   94    HG   LEU  12           HG       LEU  12  -0.061   0.303   2.519
   95   1HD1  LEU  12          HD11      LEU  12   1.473  -1.207   0.633
   96   2HD1  LEU  12          HD12      LEU  12   0.404   0.170   0.366
   97   3HD1  LEU  12          HD13      LEU  12  -0.250  -1.467   0.358
   98   1HD2  LEU  12          HD21      LEU  12  -1.393  -2.028   1.822
   99   2HD2  LEU  12          HD22      LEU  12  -1.641  -1.071   3.282
  100   3HD2  LEU  12          HD23      LEU  12  -0.536  -2.444   3.307
  101    H    GLN  13           HN       GLN  13  -0.550  -0.845   4.924
  102    HA   GLN  13           HA       GLN  13  -1.991   1.428   4.347
  103   1HB   GLN  13          HB2       GLN  13  -2.946  -0.806   4.946
  104   2HB   GLN  13          HB1       GLN  13  -2.585  -0.465   6.633
  105   1HG   GLN  13          HG2       GLN  13  -3.999   1.719   6.075
  106   2HG   GLN  13          HG1       GLN  13  -4.701   0.627   4.882
  107   1HE2  GLN  13          HE21      GLN  13  -4.411   1.413   8.220
  108   2HE2  GLN  13          HE22      GLN  13  -5.550   0.259   8.816
  109    H    GLU  14           HN       GLU  14  -0.149   0.673   7.242
  110    HA   GLU  14           HA       GLU  14  -1.076   2.976   8.700
  111   1HB   GLU  14          HB2       GLU  14   1.364   1.271   9.241
  112   2HB   GLU  14          HB1       GLU  14   0.559   2.349  10.373
  113   1HG   GLU  14          HG2       GLU  14  -1.119   0.233   9.200
  114   2HG   GLU  14          HG1       GLU  14   0.163  -0.304  10.284
  115    H    VAL  15           HN       VAL  15   1.548   2.185   6.555
  116    HA   VAL  15           HA       VAL  15   3.204   4.389   7.132
  117    HB   VAL  15           HB       VAL  15   3.586   2.225   5.637
  118   1HG1  VAL  15          HG11      VAL  15   3.859   3.428   3.222
  119   2HG1  VAL  15          HG12      VAL  15   2.332   4.104   3.764
  120   3HG1  VAL  15          HG13      VAL  15   2.535   2.360   3.664
  121   1HG2  VAL  15          HG21      VAL  15   5.227   3.916   6.457
  122   2HG2  VAL  15          HG22      VAL  15   4.964   4.805   4.955
  123   3HG2  VAL  15          HG23      VAL  15   5.625   3.166   4.912
  124    H    LEU  16           HN       LEU  16   0.371   3.960   5.150
  125    HA   LEU  16           HA       LEU  16   0.523   6.275   3.599
  126   1HB   LEU  16          HB2       LEU  16  -1.732   4.564   4.562
  127   2HB   LEU  16          HB1       LEU  16  -2.080   6.063   3.724
  128    HG   LEU  16           HG       LEU  16  -2.178   4.322   2.110
  129   1HD1  LEU  16          HD11      LEU  16   0.512   5.640   1.806
  130   2HD1  LEU  16          HD12      LEU  16  -1.034   6.392   1.414
  131   3HD1  LEU  16          HD13      LEU  16  -0.493   4.970   0.522
  132   1HD2  LEU  16          HD21      LEU  16  -0.411   2.730   1.726
  133   2HD2  LEU  16          HD22      LEU  16  -0.915   2.653   3.413
  134   3HD2  LEU  16          HD23      LEU  16   0.580   3.478   2.977
  135    H    LYS  17           HN       LYS  17  -0.614   5.744   6.887
  136    HA   LYS  17           HA       LYS  17  -1.999   8.007   7.493
  137   1HB   LYS  17          HB2       LYS  17  -1.498   6.227   9.121
  138   2HB   LYS  17          HB1       LYS  17   0.174   6.768   9.198
  139   1HG   LYS  17          HG2       LYS  17  -0.896   9.047   9.884
  140   2HG   LYS  17          HG1       LYS  17  -2.283   8.040  10.304
  141   1HD   LYS  17          HD2       LYS  17  -0.861   8.356  12.245
  142   2HD   LYS  17          HD1       LYS  17  -0.826   6.666  11.736
  143   1HE   LYS  17          HE2       LYS  17   1.360   6.742  11.221
  144   2HE   LYS  17          HE1       LYS  17   1.236   8.348  10.505
  145   1HZ   LYS  17          HZ1       LYS  17   2.623   8.150  12.581
  146   2HZ   LYS  17          HZ2       LYS  17   1.182   7.911  13.433
  147   3HZ   LYS  17          HZ3       LYS  17   1.440   9.360  12.599
  148    H    ASN  18           HN       ASN  18   1.502   7.687   7.217
  149    HA   ASN  18           HA       ASN  18   2.089  10.402   7.904
  150   1HB   ASN  18          HB2       ASN  18   3.571   8.055   7.353
  151   2HB   ASN  18          HB1       ASN  18   4.086   9.249   6.162
  152   1HD2  ASN  18          HD21      ASN  18   3.069   9.550   9.547
  153   2HD2  ASN  18          HD22      ASN  18   4.515  10.321  10.092
  154    H    LEU  19           HN       LEU  19   1.747   8.611   4.897
  155    HA   LEU  19           HA       LEU  19   2.429  10.467   3.014
  156   1HB   LEU  19          HB2       LEU  19   1.913   8.605   1.900
  157   2HB   LEU  19          HB1       LEU  19   0.837   8.058   3.162
  158    HG   LEU  19           HG       LEU  19  -0.171  10.148   1.296
  159   1HD1  LEU  19          HD11      LEU  19   0.442   8.870  -0.457
  160   2HD1  LEU  19          HD12      LEU  19  -0.958   7.916   0.015
  161   3HD1  LEU  19          HD13      LEU  19   0.658   7.429   0.526
  162   1HD2  LEU  19          HD21      LEU  19  -2.151   8.438   1.566
  163   2HD2  LEU  19          HD22      LEU  19  -1.799   9.640   2.806
  164   3HD2  LEU  19          HD23      LEU  19  -1.249   7.976   3.006
  165    H    HIS  20           HN       HIS  20  -0.659  10.196   4.719
  166    HA   HIS  20           HA       HIS  20  -2.200  12.003   3.320
  167   1HB   HIS  20          HB2       HIS  20  -2.091  11.330   6.253
  168   2HB   HIS  20          HB1       HIS  20  -3.253  12.487   5.624
  169    HD1  HIS  20           HD1      HIS  20  -5.327  11.571   4.540
  170    HD2  HIS  20           HD2      HIS  20  -2.508   8.635   5.363
  171    HE1  HIS  20           HE1      HIS  20  -6.516   9.383   4.194
  172    HE2  HIS  20           HE2      HIS  20  -4.815   7.621   4.786
  173    H    LYS  21           HN       LYS  21   0.316  12.670   5.688
  174    HA   LYS  21           HA       LYS  21  -0.294  15.514   5.660
  175   1HB   LYS  21          HB2       LYS  21   2.000  14.217   7.103
  176   2HB   LYS  21          HB1       LYS  21   1.175  15.723   7.488
  177   1HG   LYS  21          HG2       LYS  21  -0.067  12.990   7.669
  178   2HG   LYS  21          HG1       LYS  21   0.624  13.881   9.028
  179   1HD   LYS  21          HD2       LYS  21  -1.605  14.438   9.221
  180   2HD   LYS  21          HD1       LYS  21  -1.007  15.771   8.231
  181   1HE   LYS  21          HE2       LYS  21  -2.087  15.039   6.351
  182   2HE   LYS  21          HE1       LYS  21  -1.982  13.348   6.832
  183   1HZ   LYS  21          HZ1       LYS  21  -4.147  13.615   7.275
  184   2HZ   LYS  21          HZ2       LYS  21  -4.041  15.298   7.392
  185   3HZ   LYS  21          HZ3       LYS  21  -3.610  14.330   8.711
  186    H    ASN  22           HN       ASN  22   1.398  13.621   3.578
  187    HA   ASN  22           HA       ASN  22   3.087  15.894   2.848
  188   1HB   ASN  22          HB2       ASN  22   4.165  13.080   3.033
  189   2HB   ASN  22          HB1       ASN  22   5.058  14.515   2.542
  190   1HD2  ASN  22          HD21      ASN  22   3.162  13.230   5.243
  191   2HD2  ASN  22          HD22      ASN  22   4.116  13.958   6.484
  192    H    TRP  23           HN       TRP  23   0.692  14.066   1.818
  193    HA   TRP  23           HA       TRP  23   1.758  13.262  -0.740
  194   1HB   TRP  23          HB2       TRP  23  -0.127  12.046  -0.981
  195   2HB   TRP  23          HB1       TRP  23  -0.321  12.343   0.737
  196    HD1  TRP  23           HD1      TRP  23  -2.549  13.360   1.409
  197    HE1  TRP  23           HE1      TRP  23  -4.481  14.538   0.223
  198    HE3  TRP  23           HE3      TRP  23  -0.492  13.642  -3.199
  199    HZ2  TRP  23           HZ2      TRP  23  -5.064  15.450  -2.421
  200    HZ3  TRP  23           HZ3      TRP  23  -1.776  14.631  -5.013
  201    HH2  TRP  23           HH2      TRP  23  -4.022  15.536  -4.647
  202    H    HIS  24           HN       HIS  24  -0.166  15.906   0.537
  203    HA   HIS  24           HA       HIS  24   0.612  17.720  -1.433
  204   1HB   HIS  24          HB2       HIS  24  -0.752  16.374  -2.963
  205   2HB   HIS  24          HB1       HIS  24  -2.143  16.560  -1.903
  206    HD1  HIS  24           HD1      HIS  24   0.200  18.795  -3.904
  207    HD2  HIS  24           HD2      HIS  24  -3.733  18.639  -2.573
  208    HE1  HIS  24           HE1      HIS  24  -0.932  20.799  -4.917
  209    HE2  HIS  24           HE2      HIS  24  -3.332  20.639  -4.163
  210    H    GLY  25           HN       GLY  25  -2.285  16.833   0.446
  211   1HA   GLY  25          HA2       GLY  25  -2.165  18.543   2.501
  212   2HA   GLY  25          HA1       GLY  25  -2.682  19.610   1.206
  213    H    GLY  26           HN       GLY  26  -4.047  18.830   3.667
  214   1HA   GLY  26          HA2       GLY  26  -6.160  18.291   4.364
  215   2HA   GLY  26          HA1       GLY  26  -6.652  18.622   2.711
  216    H    LYS  27           HN       LYS  27  -6.171  16.237   5.087
  217    HA   LYS  27           HA       LYS  27  -5.767  13.926   3.607
  218   1HB   LYS  27          HB2       LYS  27  -5.662  13.655   5.923
  219   2HB   LYS  27          HB1       LYS  27  -7.189  14.486   6.191
  220   1HG   LYS  27          HG2       LYS  27  -8.431  12.621   5.802
  221   2HG   LYS  27          HG1       LYS  27  -7.263  11.944   4.665
  222   1HD   LYS  27          HD2       LYS  27  -6.887  10.537   6.412
  223   2HD   LYS  27          HD1       LYS  27  -5.785  11.833   6.882
  224   1HE   LYS  27          HE2       LYS  27  -6.958  12.267   8.725
  225   2HE   LYS  27          HE1       LYS  27  -8.472  12.338   7.824
  226   1HZ   LYS  27          HZ1       LYS  27  -7.159   9.919   8.933
  227   2HZ   LYS  27          HZ2       LYS  27  -8.491   9.869   7.894
  228   3HZ   LYS  27          HZ3       LYS  27  -8.632  10.597   9.414
  229    H    ASP  28           HN       ASP  28  -8.541  15.973   3.768
  230    HA   ASP  28           HA       ASP  28 -10.631  14.292   3.154
  231   1HB   ASP  28          HB2       ASP  28 -10.019  17.142   2.677
  232   2HB   ASP  28          HB1       ASP  28 -11.248  16.451   1.621
  233    H    ASN  29           HN       ASN  29  -8.041  15.428   1.078
  234    HA   ASN  29           HA       ASN  29  -9.281  14.318  -1.300
  235   1HB   ASN  29          HB2       ASN  29  -7.781  16.419  -1.197
  236   2HB   ASN  29          HB1       ASN  29  -6.437  15.285  -1.108
  237   1HD2  ASN  29          HD21      ASN  29  -8.143  17.140  -3.151
  238   2HD2  ASN  29          HD22      ASN  29  -7.911  16.270  -4.626
  239    H    LEU  30           HN       LEU  30  -6.437  13.638   0.731
  240    HA   LEU  30           HA       LEU  30  -5.557  11.372  -0.669
  241   1HB   LEU  30          HB2       LEU  30  -4.398  12.662   1.228
  242   2HB   LEU  30          HB1       LEU  30  -5.353  11.685   2.315
  243    HG   LEU  30           HG       LEU  30  -3.022  10.868   1.977
  244   1HD1  LEU  30          HD11      LEU  30  -5.431   9.425   2.059
  245   2HD1  LEU  30          HD12      LEU  30  -3.839   8.917   2.604
  246   3HD1  LEU  30          HD13      LEU  30  -4.358   8.565   0.958
  247   1HD2  LEU  30          HD21      LEU  30  -2.568   9.582  -0.119
  248   2HD2  LEU  30          HD22      LEU  30  -2.636  11.329  -0.337
  249   3HD2  LEU  30          HD23      LEU  30  -4.003  10.333  -0.822
  250    H    HIS  31           HN       HIS  31  -8.120  11.862   1.635
  251    HA   HIS  31           HA       HIS  31  -8.639   9.375   2.625
  252   1HB   HIS  31          HB2       HIS  31  -9.981  11.733   2.633
  253   2HB   HIS  31          HB1       HIS  31 -11.027  10.779   1.587
  254    HD1  HIS  31           HD1      HIS  31  -9.996   8.189   3.518
  255    HD2  HIS  31           HD2      HIS  31 -12.236  11.560   4.458
  256    HE1  HIS  31           HE1      HIS  31 -11.285   7.584   5.591
  257    HE2  HIS  31           HE2      HIS  31 -12.700   9.608   6.089
  258    H    ASP  32           HN       ASP  32  -9.943  10.639  -0.452
  259    HA   ASP  32           HA       ASP  32 -11.092   8.208  -1.273
  260   1HB   ASP  32          HB2       ASP  32 -10.590  10.836  -2.435
  261   2HB   ASP  32          HB1       ASP  32 -10.452   9.542  -3.623
  262    H    VAL  33           HN       VAL  33  -7.842   9.261  -1.215
  263    HA   VAL  33           HA       VAL  33  -6.945   7.375  -3.223
  264    HB   VAL  33           HB       VAL  33  -5.769   9.640  -1.761
  265   1HG1  VAL  33          HG11      VAL  33  -4.063   7.286  -2.539
  266   2HG1  VAL  33          HG12      VAL  33  -4.221   7.999  -0.934
  267   3HG1  VAL  33          HG13      VAL  33  -3.440   8.908  -2.231
  268   1HG2  VAL  33          HG21      VAL  33  -4.674   9.973  -3.924
  269   2HG2  VAL  33          HG22      VAL  33  -6.422   9.777  -4.077
  270   3HG2  VAL  33          HG23      VAL  33  -5.345   8.436  -4.476
  271    H    ASP  34           HN       ASP  34  -6.080   7.913   0.226
  272    HA   ASP  34           HA       ASP  34  -4.902   5.376   0.518
  273   1HB   ASP  34          HB2       ASP  34  -4.263   6.855   2.193
  274   2HB   ASP  34          HB1       ASP  34  -5.908   7.430   2.457
  275    H    ASN  35           HN       ASN  35  -8.213   6.423   0.508
  276    HA   ASN  35           HA       ASN  35  -9.401   4.302   1.923
  277   1HB   ASN  35          HB2       ASN  35 -10.746   6.215   1.286
  278   2HB   ASN  35          HB1       ASN  35 -10.431   5.924  -0.423
  279   1HD2  ASN  35          HD21      ASN  35 -11.273   3.922  -1.331
  280   2HD2  ASN  35          HD22      ASN  35 -12.754   3.281  -0.713
  281    H    HIS  36           HN       HIS  36  -8.308   4.673  -1.392
  282    HA   HIS  36           HA       HIS  36  -9.223   2.202  -2.406
  283   1HB   HIS  36          HB2       HIS  36  -7.413   4.339  -3.250
  284   2HB   HIS  36          HB1       HIS  36  -6.838   2.748  -3.742
  285    HD1  HIS  36           HD1      HIS  36  -7.689   2.036  -5.946
  286    HD2  HIS  36           HD2      HIS  36 -10.314   4.644  -4.056
  287    HE1  HIS  36           HE1      HIS  36  -9.573   2.391  -7.574
  288    HE2  HIS  36           HE2      HIS  36 -11.192   3.903  -6.373
  289    H    LEU  37           HN       LEU  37  -6.107   3.245  -1.063
  290    HA   LEU  37           HA       LEU  37  -4.765   0.805  -1.109
  291   1HB   LEU  37          HB2       LEU  37  -3.946   3.149  -0.405
  292   2HB   LEU  37          HB1       LEU  37  -4.527   2.728   1.188
  293    HG   LEU  37           HG       LEU  37  -2.402   2.059   1.484
  294   1HD1  LEU  37          HD11      LEU  37  -3.568  -0.030   1.672
  295   2HD1  LEU  37          HD12      LEU  37  -2.002  -0.316   0.911
  296   3HD1  LEU  37          HD13      LEU  37  -3.467  -0.291  -0.070
  297   1HD2  LEU  37          HD21      LEU  37  -1.080   1.107  -0.575
  298   2HD2  LEU  37          HD22      LEU  37  -1.300   2.844  -0.359
  299   3HD2  LEU  37          HD23      LEU  37  -2.329   1.958  -1.485
  300    H    GLN  38           HN       GLN  38  -6.229   2.194   1.824
  301    HA   GLN  38           HA       GLN  38  -6.129   0.021   3.463
  302   1HB   GLN  38          HB2       GLN  38  -6.888   2.311   4.094
  303   2HB   GLN  38          HB1       GLN  38  -8.443   1.959   3.352
  304   1HG   GLN  38          HG2       GLN  38  -7.570  -0.028   5.312
  305   2HG   GLN  38          HG1       GLN  38  -7.834   1.585   5.973
  306   1HE2  GLN  38          HE21      GLN  38  -9.378  -0.598   6.694
  307   2HE2  GLN  38          HE22      GLN  38 -10.988  -0.365   6.112
  308    H    ASN  39           HN       ASN  39  -8.609   0.710   1.038
  309    HA   ASN  39           HA       ASN  39 -10.297  -1.462   1.763
  310   1HB   ASN  39          HB2       ASN  39 -10.882   0.616   0.354
  311   2HB   ASN  39          HB1       ASN  39 -10.172  -0.262  -0.998
  312   1HD2  ASN  39          HD21      ASN  39 -12.928   0.614  -0.512
  313   2HD2  ASN  39          HD22      ASN  39 -13.897  -0.811  -0.617
  314    H    VAL  40           HN       VAL  40  -7.397  -1.229  -0.085
  315    HA   VAL  40           HA       VAL  40  -7.791  -3.673  -1.549
  316    HB   VAL  40           HB       VAL  40  -5.257  -2.099  -1.064
  317   1HG1  VAL  40          HG11      VAL  40  -4.621  -3.331  -3.246
  318   2HG1  VAL  40          HG12      VAL  40  -5.887  -4.467  -2.776
  319   3HG1  VAL  40          HG13      VAL  40  -4.508  -4.191  -1.712
  320   1HG2  VAL  40          HG21      VAL  40  -5.918  -0.664  -2.630
  321   2HG2  VAL  40          HG22      VAL  40  -7.505  -1.432  -2.599
  322   3HG2  VAL  40          HG23      VAL  40  -6.284  -1.979  -3.746
  323    H    ILE  41           HN       ILE  41  -6.117  -2.669   1.391
  324    HA   ILE  41           HA       ILE  41  -4.591  -4.871   1.958
  325    HB   ILE  41           HB       ILE  41  -4.931  -2.686   3.312
  326   1HG1  ILE  41          HG12      ILE  41  -4.360  -4.210   5.471
  327   2HG1  ILE  41          HG11      ILE  41  -4.131  -5.393   4.188
  328   1HG2  ILE  41          HG21      ILE  41  -6.572  -4.308   5.172
  329   2HG2  ILE  41          HG22      ILE  41  -7.389  -3.557   3.804
  330   3HG2  ILE  41          HG23      ILE  41  -6.499  -2.560   4.952
  331   1HD1  ILE  41          HD11      ILE  41  -2.071  -4.181   4.853
  332   2HD1  ILE  41          HD12      ILE  41  -2.803  -2.698   4.242
  333   3HD1  ILE  41          HD13      ILE  41  -2.473  -4.036   3.142
  334    H    GLU  42           HN       GLU  42  -8.078  -4.547   2.272
  335    HA   GLU  42           HA       GLU  42  -8.405  -7.044   3.659
  336   1HB   GLU  42          HB2       GLU  42 -10.643  -6.532   3.761
  337   2HB   GLU  42          HB1       GLU  42  -9.991  -4.918   3.518
  338   1HG   GLU  42          HG2       GLU  42 -10.451  -5.143   1.100
  339   2HG   GLU  42          HG1       GLU  42 -11.201  -6.705   1.419
  340    H    ASP  43           HN       ASP  43  -8.540  -5.929   0.338
  341    HA   ASP  43           HA       ASP  43  -9.567  -8.290  -0.799
  342   1HB   ASP  43          HB2       ASP  43  -8.117  -5.896  -1.791
  343   2HB   ASP  43          HB1       ASP  43  -8.040  -7.333  -2.807
  344    H    ILE  44           HN       ILE  44  -6.396  -7.338   0.287
  345    HA   ILE  44           HA       ILE  44  -5.118  -9.664  -0.905
  346    HB   ILE  44           HB       ILE  44  -3.536  -8.262   1.107
  347   1HG1  ILE  44          HG12      ILE  44  -4.727  -6.698  -1.182
  348   2HG1  ILE  44          HG11      ILE  44  -4.697  -6.275   0.525
  349   1HG2  ILE  44          HG21      ILE  44  -1.837  -8.497  -0.448
  350   2HG2  ILE  44          HG22      ILE  44  -2.948  -8.456  -1.816
  351   3HG2  ILE  44          HG23      ILE  44  -2.876  -9.882  -0.782
  352   1HD1  ILE  44          HD11      ILE  44  -2.184  -6.133   0.304
  353   2HD1  ILE  44          HD12      ILE  44  -3.122  -4.883  -0.511
  354   3HD1  ILE  44          HD13      ILE  44  -2.434  -6.216  -1.438
  355    H    HIS  45           HN       HIS  45  -6.241  -8.553   2.226
  356    HA   HIS  45           HA       HIS  45  -5.071 -10.657   3.736
  357   1HB   HIS  45          HB2       HIS  45  -7.290  -8.700   4.294
  358   2HB   HIS  45          HB1       HIS  45  -6.815  -9.932   5.462
  359    HD1  HIS  45           HD1      HIS  45  -6.119  -7.847   6.998
  360    HD2  HIS  45           HD2      HIS  45  -3.872  -8.438   3.553
  361    HE1  HIS  45           HE1      HIS  45  -4.017  -6.505   7.334
  362    HE2  HIS  45           HE2      HIS  45  -2.611  -6.995   5.301
  363    H    ASP  46           HN       ASP  46  -8.244 -10.162   2.267
  364    HA   ASP  46           HA       ASP  46  -9.260 -12.671   3.235
  365   1HB   ASP  46          HB2       ASP  46 -10.417 -10.370   2.233
  366   2HB   ASP  46          HB1       ASP  46 -10.629 -11.518   0.916
  367    H    PHE  47           HN       PHE  47  -7.386 -11.581   0.560
  368    HA   PHE  47           HA       PHE  47  -8.007 -13.933  -1.049
  369   1HB   PHE  47          HB2       PHE  47  -6.411 -11.453  -1.502
  370   2HB   PHE  47          HB1       PHE  47  -6.093 -12.868  -2.498
  371    HD1  PHE  47           HD1      PHE  47  -9.345 -11.691  -1.148
  372    HD2  PHE  47           HD2      PHE  47  -6.909 -12.258  -4.590
  373    HE1  PHE  47           HE1      PHE  47 -11.256 -11.124  -2.590
  374    HE2  PHE  47           HE2      PHE  47  -8.816 -11.692  -6.038
  375    HZ   PHE  47           HZ       PHE  47 -10.993 -11.123  -5.038
  376    H    MET  48           HN       MET  48  -5.199 -12.610   0.679
  377    HA   MET  48           HA       MET  48  -3.286 -14.460  -0.002
  378   1HB   MET  48          HB2       MET  48  -2.094 -13.831   1.940
  379   2HB   MET  48          HB1       MET  48  -3.014 -12.412   1.463
  380   1HG   MET  48          HG2       MET  48  -4.743 -13.114   3.156
  381   2HG   MET  48          HG1       MET  48  -3.574 -14.302   3.727
  382   1HE   MET  48          HE1       MET  48  -4.918 -12.644   5.432
  383   2HE   MET  48          HE2       MET  48  -4.433 -10.976   5.740
  384   3HE   MET  48          HE3       MET  48  -3.595 -12.302   6.546
  385    H    GLN  49           HN       GLN  49  -6.080 -14.943   1.988
  386    HA   GLN  49           HA       GLN  49  -5.066 -17.443   3.071
  387   1HB   GLN  49          HB2       GLN  49  -7.435 -15.715   3.571
  388   2HB   GLN  49          HB1       GLN  49  -7.593 -17.430   3.924
  389   1HG   GLN  49          HG2       GLN  49  -5.239 -15.934   4.971
  390   2HG   GLN  49          HG1       GLN  49  -6.805 -15.757   5.761
  391   1HE2  GLN  49          HE21      GLN  49  -7.916 -17.900   6.210
  392   2HE2  GLN  49          HE22      GLN  49  -6.921 -19.155   6.857
  393    H    GLY  50           HN       GLY  50  -5.866 -16.847   0.116
  394   1HA   GLY  50          HA2       GLY  50  -6.299 -18.630  -1.420
  395   2HA   GLY  50          HA1       GLY  50  -7.317 -19.384  -0.203
  396    H    GLY  51           HN       GLY  51  -7.580 -15.971  -0.847
  397   1HA   GLY  51          HA2       GLY  51 -10.256 -16.475  -1.966
  398   2HA   GLY  51          HA1       GLY  51  -9.754 -14.998  -1.157
  399    H    GLY  52           HN       GLY  52  -7.812 -16.614  -3.593
  400   1HA   GLY  52          HA2       GLY  52  -7.827 -16.090  -5.939
  401   2HA   GLY  52          HA1       GLY  52  -8.582 -14.552  -5.550
  402    H    SER  53           HN       SER  53  -5.925 -15.664  -3.628
  403    HA   SER  53           HA       SER  53  -4.402 -13.354  -4.018
  404   1HB   SER  53          HB2       SER  53  -2.697 -14.423  -2.730
  405   2HB   SER  53          HB1       SER  53  -4.240 -14.993  -2.091
  406    HG   SER  53           HG       SER  53  -2.508 -16.366  -3.870
  407    H    GLY  54           HN       GLY  54  -4.680 -16.178  -5.962
  408   1HA   GLY  54          HA2       GLY  54  -2.141 -15.681  -7.319
  409   2HA   GLY  54          HA1       GLY  54  -3.218 -17.042  -7.599
  410    H    GLY  55           HN       GLY  55  -2.891 -13.555  -8.085
  411   1HA   GLY  55          HA2       GLY  55  -3.159 -13.047 -10.589
  412   2HA   GLY  55          HA1       GLY  55  -4.758 -13.743 -10.358
  413    H    LYS  56           HN       LYS  56  -4.429 -12.402  -7.523
  414    HA   LYS  56           HA       LYS  56  -5.797  -9.957  -8.300
  415   1HB   LYS  56          HB2       LYS  56  -6.680 -11.410  -6.482
  416   2HB   LYS  56          HB1       LYS  56  -5.230 -11.075  -5.547
  417   1HG   LYS  56          HG2       LYS  56  -6.778  -8.744  -6.501
  418   2HG   LYS  56          HG1       LYS  56  -7.498  -9.731  -5.228
  419   1HD   LYS  56          HD2       LYS  56  -4.686  -8.669  -5.072
  420   2HD   LYS  56          HD1       LYS  56  -6.082  -7.779  -4.462
  421   1HE   LYS  56          HE2       LYS  56  -5.510  -8.858  -2.558
  422   2HE   LYS  56          HE1       LYS  56  -6.545 -10.098  -3.262
  423   1HZ   LYS  56          HZ1       LYS  56  -4.060 -10.547  -2.414
  424   2HZ   LYS  56          HZ2       LYS  56  -3.756 -10.210  -4.043
  425   3HZ   LYS  56          HZ3       LYS  56  -4.814 -11.460  -3.623
  426    H    LEU  57           HN       LEU  57  -3.060 -10.867  -6.233
  427    HA   LEU  57           HA       LEU  57  -2.173  -8.331  -5.598
  428   1HB   LEU  57          HB2       LEU  57  -1.341 -10.904  -5.115
  429   2HB   LEU  57          HB1       LEU  57  -0.018 -10.255  -6.058
  430    HG   LEU  57           HG       LEU  57   0.678  -8.865  -4.391
  431   1HD1  LEU  57          HD11      LEU  57  -0.947  -8.128  -2.523
  432   2HD1  LEU  57          HD12      LEU  57  -2.210  -8.625  -3.648
  433   3HD1  LEU  57          HD13      LEU  57  -1.066  -7.365  -4.109
  434   1HD2  LEU  57          HD21      LEU  57  -0.804 -11.090  -3.033
  435   2HD2  LEU  57          HD22      LEU  57   0.199  -9.946  -2.140
  436   3HD2  LEU  57          HD23      LEU  57   0.918 -10.965  -3.387
  437    H    GLN  58           HN       GLN  58  -2.198  -9.710  -8.701
  438    HA   GLN  58           HA       GLN  58   0.126  -8.250  -9.611
  439   1HB   GLN  58          HB2       GLN  58  -0.691  -9.085 -11.906
  440   2HB   GLN  58          HB1       GLN  58  -0.100 -10.276 -10.758
  441   1HG   GLN  58          HG2       GLN  58  -2.044 -11.337 -10.707
  442   2HG   GLN  58          HG1       GLN  58  -2.945  -9.840 -10.493
  443   1HE2  GLN  58          HE21      GLN  58  -3.342  -8.553 -12.439
  444   2HE2  GLN  58          HE22      GLN  58  -3.592  -9.375 -13.938
  445    H    GLU  59           HN       GLU  59  -3.379  -8.131 -10.258
  446    HA   GLU  59           HA       GLU  59  -3.071  -5.556 -11.565
  447   1HB   GLU  59          HB2       GLU  59  -5.181  -7.603 -11.360
  448   2HB   GLU  59          HB1       GLU  59  -5.771  -5.947 -11.356
  449   1HG   GLU  59          HG2       GLU  59  -3.765  -6.550 -13.412
  450   2HG   GLU  59          HG1       GLU  59  -5.298  -7.403 -13.580
  451    H    MET  60           HN       MET  60  -3.987  -6.873  -8.500
  452    HA   MET  60           HA       MET  60  -5.276  -4.495  -7.539
  453   1HB   MET  60          HB2       MET  60  -5.978  -6.548  -6.551
  454   2HB   MET  60          HB1       MET  60  -4.323  -7.022  -6.198
  455   1HG   MET  60          HG2       MET  60  -4.935  -4.525  -4.924
  456   2HG   MET  60          HG1       MET  60  -6.131  -5.749  -4.501
  457   1HE   MET  60          HE1       MET  60  -1.759  -5.426  -3.784
  458   2HE   MET  60          HE2       MET  60  -2.748  -4.595  -2.584
  459   3HE   MET  60          HE3       MET  60  -2.962  -4.244  -4.298
  460    H    MET  61           HN       MET  61  -2.050  -5.930  -7.378
  461    HA   MET  61           HA       MET  61  -0.900  -4.394  -5.388
  462   1HB   MET  61          HB2       MET  61   0.508  -6.027  -6.240
  463   2HB   MET  61          HB1       MET  61   0.180  -5.591  -7.910
  464   1HG   MET  61          HG2       MET  61   1.611  -3.639  -6.182
  465   2HG   MET  61          HG1       MET  61   2.483  -5.055  -6.767
  466   1HE   MET  61          HE1       MET  61   4.086  -3.678  -7.572
  467   2HE   MET  61          HE2       MET  61   3.798  -2.129  -8.365
  468   3HE   MET  61          HE3       MET  61   4.159  -3.560  -9.330
  469    H    LYS  62           HN       LYS  62  -1.532  -3.517  -8.742
  470    HA   LYS  62           HA       LYS  62  -0.150  -1.066  -8.744
  471   1HB   LYS  62          HB2       LYS  62  -1.258  -0.600 -10.788
  472   2HB   LYS  62          HB1       LYS  62  -1.013  -2.340 -10.753
  473   1HG   LYS  62          HG2       LYS  62  -3.167  -2.574 -11.202
  474   2HG   LYS  62          HG1       LYS  62  -3.514  -1.947  -9.590
  475   1HD   LYS  62          HD2       LYS  62  -4.594  -0.279 -10.610
  476   2HD   LYS  62          HD1       LYS  62  -3.007   0.325 -11.089
  477   1HE   LYS  62          HE2       LYS  62  -4.299  -1.783 -12.748
  478   2HE   LYS  62          HE1       LYS  62  -4.897  -0.129 -12.869
  479   1HZ   LYS  62          HZ1       LYS  62  -2.297   0.306 -13.074
  480   2HZ   LYS  62          HZ2       LYS  62  -3.277  -0.012 -14.416
  481   3HZ   LYS  62          HZ3       LYS  62  -2.354  -1.252 -13.731
  482    H    GLU  63           HN       GLU  63  -3.171  -1.988  -7.354
  483    HA   GLU  63           HA       GLU  63  -4.314   0.633  -7.292
  484   1HB   GLU  63          HB2       GLU  63  -5.179  -1.993  -6.686
  485   2HB   GLU  63          HB1       GLU  63  -5.402  -1.028  -5.230
  486   1HG   GLU  63          HG2       GLU  63  -7.188  -0.056  -6.080
  487   2HG   GLU  63          HG1       GLU  63  -6.288   0.453  -7.508
  488    H    PHE  64           HN       PHE  64  -2.526  -1.342  -4.928
  489    HA   PHE  64           HA       PHE  64  -2.798   0.614  -2.868
  490   1HB   PHE  64          HB2       PHE  64  -1.662  -0.857  -1.498
  491   2HB   PHE  64          HB1       PHE  64  -2.332  -1.959  -2.692
  492    HD1  PHE  64           HD1      PHE  64   0.755  -0.097  -1.811
  493    HD2  PHE  64           HD2      PHE  64  -0.961  -3.399  -3.862
  494    HE1  PHE  64           HE1      PHE  64   3.002  -1.009  -2.225
  495    HE2  PHE  64           HE2      PHE  64   1.282  -4.309  -4.293
  496    HZ   PHE  64           HZ       PHE  64   3.266  -3.111  -3.467
  497    H    GLN  65           HN       GLN  65  -0.671   0.116  -5.515
  498    HA   GLN  65           HA       GLN  65   1.408   1.859  -4.516
  499   1HB   GLN  65          HB2       GLN  65   1.989  -0.010  -5.999
  500   2HB   GLN  65          HB1       GLN  65   0.974   0.667  -7.264
  501   1HG   GLN  65          HG2       GLN  65   2.506   2.755  -6.989
  502   2HG   GLN  65          HG1       GLN  65   3.616   1.600  -6.254
  503   1HE2  GLN  65          HE21      GLN  65   4.636   0.105  -7.515
  504   2HE2  GLN  65          HE22      GLN  65   4.560   0.105  -9.240
  505    H    GLN  66           HN       GLN  66  -1.406   2.021  -6.584
  506    HA   GLN  66           HA       GLN  66  -0.930   4.433  -7.906
  507   1HB   GLN  66          HB2       GLN  66  -2.988   2.612  -7.830
  508   2HB   GLN  66          HB1       GLN  66  -3.718   4.026  -7.086
  509   1HG   GLN  66          HG2       GLN  66  -2.301   4.883  -9.387
  510   2HG   GLN  66          HG1       GLN  66  -3.284   3.489  -9.832
  511   1HE2  GLN  66          HE21      GLN  66  -5.575   3.577  -9.095
  512   2HE2  GLN  66          HE22      GLN  66  -6.380   5.103  -9.173
  513    H    VAL  67           HN       VAL  67  -2.195   3.775  -4.697
  514    HA   VAL  67           HA       VAL  67  -3.158   6.285  -3.991
  515    HB   VAL  67           HB       VAL  67  -1.758   4.217  -2.278
  516   1HG1  VAL  67          HG11      VAL  67  -2.230   6.786  -1.497
  517   2HG1  VAL  67          HG12      VAL  67  -2.145   5.399  -0.414
  518   3HG1  VAL  67          HG13      VAL  67  -3.710   5.975  -0.986
  519   1HG2  VAL  67          HG21      VAL  67  -4.543   4.339  -1.814
  520   2HG2  VAL  67          HG22      VAL  67  -3.608   3.023  -2.519
  521   3HG2  VAL  67          HG23      VAL  67  -4.299   4.267  -3.558
  522    H    LEU  68           HN       LEU  68   0.130   5.024  -3.961
  523    HA   LEU  68           HA       LEU  68   1.279   7.388  -2.788
  524   1HB   LEU  68          HB2       LEU  68   2.238   4.806  -3.844
  525   2HB   LEU  68          HB1       LEU  68   3.370   6.145  -3.936
  526    HG   LEU  68           HG       LEU  68   2.538   6.436  -1.391
  527   1HD1  LEU  68          HD11      LEU  68   2.861   3.685  -0.933
  528   2HD1  LEU  68          HD12      LEU  68   1.610   3.839  -2.164
  529   3HD1  LEU  68          HD13      LEU  68   1.437   4.676  -0.619
  530   1HD2  LEU  68          HD21      LEU  68   4.834   5.389  -2.767
  531   2HD2  LEU  68          HD22      LEU  68   4.594   4.523  -1.250
  532   3HD2  LEU  68          HD23      LEU  68   4.753   6.278  -1.248
  533    H    ASP  69           HN       ASP  69  -0.047   6.784  -5.784
  534    HA   ASP  69           HA       ASP  69   1.826   8.197  -7.435
  535   1HB   ASP  69          HB2       ASP  69   0.063   6.444  -8.174
  536   2HB   ASP  69          HB1       ASP  69  -1.081   7.781  -8.108
  537    H    GLU  70           HN       GLU  70  -1.465   8.920  -6.235
  538    HA   GLU  70           HA       GLU  70  -1.601  11.606  -6.996
  539   1HB   GLU  70          HB2       GLU  70  -3.314   9.972  -5.738
  540   2HB   GLU  70          HB1       GLU  70  -2.672  10.790  -4.316
  541   1HG   GLU  70          HG2       GLU  70  -4.786  11.737  -5.267
  542   2HG   GLU  70          HG1       GLU  70  -3.469  12.879  -5.031
  543    H    LEU  71           HN       LEU  71  -0.201  10.000  -4.283
  544    HA   LEU  71           HA       LEU  71   0.571  12.267  -2.775
  545   1HB   LEU  71          HB2       LEU  71   0.203  10.296  -1.618
  546   2HB   LEU  71          HB1       LEU  71   1.093   9.336  -2.773
  547    HG   LEU  71           HG       LEU  71   3.052  10.959  -1.721
  548   1HD1  LEU  71          HD11      LEU  71   2.294  10.105   0.808
  549   2HD1  LEU  71          HD12      LEU  71   0.840  10.829   0.132
  550   3HD1  LEU  71          HD13      LEU  71   2.326  11.769   0.225
  551   1HD2  LEU  71          HD21      LEU  71   2.099   8.178  -1.183
  552   2HD2  LEU  71          HD22      LEU  71   3.499   8.825  -0.334
  553   3HD2  LEU  71          HD23      LEU  71   3.507   8.710  -2.096
  554    H    ASN  72           HN       ASN  72   2.657   9.823  -4.321
  555    HA   ASN  72           HA       ASN  72   5.038  11.188  -4.161
  556   1HB   ASN  72          HB2       ASN  72   4.706   8.805  -4.903
  557   2HB   ASN  72          HB1       ASN  72   4.261   9.427  -6.489
  558   1HD2  ASN  72          HD21      ASN  72   6.713   8.151  -4.778
  559   2HD2  ASN  72          HD22      ASN  72   8.060   8.802  -5.643
  560    H    ASN  73           HN       ASN  73   2.399  11.749  -6.339
  561    HA   ASN  73           HA       ASN  73   3.991  13.400  -8.116
  562   1HB   ASN  73          HB2       ASN  73   1.083  12.615  -8.056
  563   2HB   ASN  73          HB1       ASN  73   1.699  13.824  -9.178
  564   1HD2  ASN  73          HD21      ASN  73   0.829  12.211 -10.716
  565   2HD2  ASN  73          HD22      ASN  73   1.880  10.941 -11.232
  566    H    HIS  74           HN       HIS  74   3.022  13.956  -5.111
  567    HA   HIS  74           HA       HIS  74   2.872  16.818  -5.530
  568   1HB   HIS  74          HB2       HIS  74   0.560  15.230  -4.451
  569   2HB   HIS  74          HB1       HIS  74   0.810  16.908  -3.980
  570    HD1  HIS  74           HD1      HIS  74   0.862  18.651  -6.065
  571    HD2  HIS  74           HD2      HIS  74  -0.782  14.904  -6.792
  572    HE1  HIS  74           HE1      HIS  74  -0.488  18.907  -8.171
  573    HE2  HIS  74           HE2      HIS  74  -1.422  16.611  -8.627
  574    H    LEU  75           HN       LEU  75   4.739  14.983  -4.259
  575    HA   LEU  75           HA       LEU  75   4.617  14.897  -1.486
  576   1HB   LEU  75          HB2       LEU  75   6.659  14.706  -3.514
  577   2HB   LEU  75          HB1       LEU  75   7.264  15.634  -2.157
  578    HG   LEU  75           HG       LEU  75   7.898  13.441  -1.683
  579   1HD1  LEU  75          HD11      LEU  75   5.288  13.475  -0.228
  580   2HD1  LEU  75          HD12      LEU  75   6.520  14.689   0.114
  581   3HD1  LEU  75          HD13      LEU  75   6.879  12.978   0.345
  582   1HD2  LEU  75          HD21      LEU  75   6.563  11.499  -1.974
  583   2HD2  LEU  75          HD22      LEU  75   6.444  12.447  -3.457
  584   3HD2  LEU  75          HD23      LEU  75   5.122  12.464  -2.291
  585    H    GLN  76           HN       GLN  76   3.587  16.734  -0.706
  586    HA   GLN  76           HA       GLN  76   4.337  19.362  -1.333
  587   1HB   GLN  76          HB2       GLN  76   2.285  18.157   0.089
  588   2HB   GLN  76          HB1       GLN  76   3.141  19.081   1.315
  589   1HG   GLN  76          HG2       GLN  76   1.907  20.109  -1.225
  590   2HG   GLN  76          HG1       GLN  76   1.407  20.446   0.431
  591   1HE2  GLN  76          HE21      GLN  76   3.719  21.124  -2.063
  592   2HE2  GLN  76          HE22      GLN  76   4.437  22.502  -1.309
  593    H    GLY  77           HN       GLY  77   6.727  18.880  -1.078
  594   1HA   GLY  77          HA2       GLY  77   8.705  19.277   0.019
  595   2HA   GLY  77          HA1       GLY  77   7.765  20.297   1.097
  596    H    GLY  78           HN       GLY  78   6.982  16.927   0.806
  597   1HA   GLY  78          HA2       GLY  78   8.352  16.400   3.367
  598   2HA   GLY  78          HA1       GLY  78   6.670  15.949   3.130
  599    H    LYS  79           HN       LYS  79   9.471  15.665   0.970
  600    HA   LYS  79           HA       LYS  79   8.795  13.186  -0.070
  601   1HB   LYS  79          HB2       LYS  79  10.710  14.982  -0.629
  602   2HB   LYS  79          HB1       LYS  79  11.685  13.781   0.206
  603   1HG   LYS  79          HG2       LYS  79   9.837  12.861  -1.931
  604   2HG   LYS  79          HG1       LYS  79  11.322  13.695  -2.396
  605   1HD   LYS  79          HD2       LYS  79  12.552  11.887  -1.966
  606   2HD   LYS  79          HD1       LYS  79  11.845  11.717  -0.359
  607   1HE   LYS  79          HE2       LYS  79  11.404   9.721  -1.625
  608   2HE   LYS  79          HE1       LYS  79   9.892  10.595  -1.386
  609   1HZ   LYS  79          HZ1       LYS  79   9.686  10.252  -3.582
  610   2HZ   LYS  79          HZ2       LYS  79  11.346  10.046  -3.834
  611   3HZ   LYS  79          HZ3       LYS  79  10.697  11.603  -3.716
  612    H    HIS  80           HN       HIS  80  10.531  13.978   2.859
  613    HA   HIS  80           HA       HIS  80  11.707  11.511   3.398
  614   1HB   HIS  80          HB2       HIS  80  11.623  12.220   5.796
  615   2HB   HIS  80          HB1       HIS  80  12.290  13.441   4.717
  616    HD1  HIS  80           HD1      HIS  80  10.812  15.551   4.263
  617    HD2  HIS  80           HD2      HIS  80   9.287  12.936   7.109
  618    HE1  HIS  80           HE1      HIS  80   9.006  16.833   5.453
  619    HE2  HIS  80           HE2      HIS  80   8.156  15.260   7.228
  620    H    THR  81           HN       THR  81   8.410  12.600   3.838
  621    HA   THR  81           HA       THR  81   7.547  10.441   5.466
  622    HB   THR  81           HB       THR  81   6.229  12.545   3.808
  623    HG1  THR  81           HG1      THR  81   5.848  11.699   6.486
  624   1HG2  THR  81          HG21      THR  81   4.041  11.434   4.891
  625   2HG2  THR  81          HG22      THR  81   4.950   9.975   4.477
  626   3HG2  THR  81          HG23      THR  81   4.559  11.162   3.224
  627    H    VAL  82           HN       VAL  82   6.529  11.093   2.153
  628    HA   VAL  82           HA       VAL  82   5.696   8.545   1.491
  629    HB   VAL  82           HB       VAL  82   7.021  10.466  -0.426
  630   1HG1  VAL  82          HG11      VAL  82   5.186   8.118  -0.732
  631   2HG1  VAL  82          HG12      VAL  82   6.694   8.469  -1.576
  632   3HG1  VAL  82          HG13      VAL  82   5.237   9.390  -1.950
  633   1HG2  VAL  82          HG21      VAL  82   4.217  10.386   0.654
  634   2HG2  VAL  82          HG22      VAL  82   4.669  11.265  -0.806
  635   3HG2  VAL  82          HG23      VAL  82   5.371  11.712   0.746
  636    H    HIS  83           HN       HIS  83   8.975   9.936   1.189
  637    HA   HIS  83           HA       HIS  83  10.205   7.919  -0.227
  638   1HB   HIS  83          HB2       HIS  83  11.377   9.965   0.470
  639   2HB   HIS  83          HB1       HIS  83  11.343   9.424   2.145
  640    HD1  HIS  83           HD1      HIS  83  12.405   7.559  -1.000
  641    HD2  HIS  83           HD2      HIS  83  13.906   8.746   2.689
  642    HE1  HIS  83           HE1      HIS  83  14.713   6.573  -0.865
  643    HE2  HIS  83           HE2      HIS  83  15.634   7.372   1.340
  644    H    HIS  84           HN       HIS  84   9.394   8.047   3.195
  645    HA   HIS  84           HA       HIS  84  10.542   5.480   3.777
  646   1HB   HIS  84          HB2       HIS  84  10.371   7.205   5.515
  647   2HB   HIS  84          HB1       HIS  84   8.616   7.180   5.380
  648    HD1  HIS  84           HD1      HIS  84  11.364   4.647   6.130
  649    HD2  HIS  84           HD2      HIS  84   7.484   5.615   7.260
  650    HE1  HIS  84           HE1      HIS  84  10.769   3.018   7.950
  651    HE2  HIS  84           HE2      HIS  84   8.383   3.562   8.551
  652    H    ILE  85           HN       ILE  85   7.452   6.674   2.708
  653    HA   ILE  85           HA       ILE  85   6.105   4.189   3.322
  654    HB   ILE  85           HB       ILE  85   4.159   5.271   3.114
  655   1HG1  ILE  85          HG12      ILE  85   4.860   7.053   0.840
  656   2HG1  ILE  85          HG11      ILE  85   4.601   5.342   0.532
  657   1HG2  ILE  85          HG21      ILE  85   4.262   7.750   3.238
  658   2HG2  ILE  85          HG22      ILE  85   6.002   7.595   3.033
  659   3HG2  ILE  85          HG23      ILE  85   5.219   6.865   4.428
  660   1HD1  ILE  85          HD11      ILE  85   2.380   5.467   0.895
  661   2HD1  ILE  85          HD12      ILE  85   2.640   7.153   0.455
  662   3HD1  ILE  85          HD13      ILE  85   2.542   6.690   2.153
  663    H    GLU  86           HN       GLU  86   7.521   5.749   0.529
  664    HA   GLU  86           HA       GLU  86   6.440   3.891  -1.375
  665   1HB   GLU  86          HB2       GLU  86   8.306   4.869  -2.849
  666   2HB   GLU  86          HB1       GLU  86   7.038   5.962  -2.316
  667   1HG   GLU  86          HG2       GLU  86   8.480   7.271  -1.283
  668   2HG   GLU  86          HG1       GLU  86   9.231   5.910  -0.454
  669    H    GLN  87           HN       GLN  87   9.568   4.273   0.287
  670    HA   GLN  87           HA       GLN  87  10.853   2.070  -0.898
  671   1HB   GLN  87          HB2       GLN  87  11.381   3.909   1.228
  672   2HB   GLN  87          HB1       GLN  87  11.661   2.286   1.836
  673   1HG   GLN  87          HG2       GLN  87  13.655   3.441   0.869
  674   2HG   GLN  87          HG1       GLN  87  13.300   1.851   0.194
  675   1HE2  GLN  87          HE21      GLN  87  11.727   4.927  -0.499
  676   2HE2  GLN  87          HE22      GLN  87  12.159   4.981  -2.171
  677    H    ASN  88           HN       ASN  88   8.495   2.406   1.605
  678    HA   ASN  88           HA       ASN  88   8.682  -0.321   2.517
  679   1HB   ASN  88          HB2       ASN  88   7.881   0.756   4.332
  680   2HB   ASN  88          HB1       ASN  88   7.393   2.153   3.378
  681   1HD2  ASN  88          HD21      ASN  88   5.329   2.251   2.537
  682   2HD2  ASN  88          HD22      ASN  88   4.052   1.239   3.112
  683    H    ILE  89           HN       ILE  89   6.112   1.633   0.979
  684    HA   ILE  89           HA       ILE  89   4.424  -0.520   0.413
  685    HB   ILE  89           HB       ILE  89   4.408   2.294  -0.124
  686   1HG1  ILE  89          HG12      ILE  89   1.944   0.886  -0.680
  687   2HG1  ILE  89          HG11      ILE  89   2.725   0.259   0.771
  688   1HG2  ILE  89          HG21      ILE  89   4.831   1.820  -2.453
  689   2HG2  ILE  89          HG22      ILE  89   3.141   2.281  -2.254
  690   3HG2  ILE  89          HG23      ILE  89   3.569   0.588  -2.468
  691   1HD1  ILE  89          HD11      ILE  89   1.264   2.717   0.388
  692   2HD1  ILE  89          HD12      ILE  89   2.882   3.037   1.014
  693   3HD1  ILE  89          HD13      ILE  89   1.799   1.947   1.881
  694    H    LYS  90           HN       LYS  90   6.819   1.091  -1.676
  695    HA   LYS  90           HA       LYS  90   6.288  -0.518  -3.901
  696   1HB   LYS  90          HB2       LYS  90   8.852   0.885  -3.113
  697   2HB   LYS  90          HB1       LYS  90   8.579   0.137  -4.680
  698   1HG   LYS  90          HG2       LYS  90   6.594   2.135  -3.763
  699   2HG   LYS  90          HG1       LYS  90   8.187   2.721  -4.250
  700   1HD   LYS  90          HD2       LYS  90   6.686   0.806  -5.993
  701   2HD   LYS  90          HD1       LYS  90   6.296   2.527  -6.023
  702   1HE   LYS  90          HE2       LYS  90   7.879   2.479  -7.662
  703   2HE   LYS  90          HE1       LYS  90   8.921   2.744  -6.264
  704   1HZ   LYS  90          HZ1       LYS  90   8.359  -0.030  -6.922
  705   2HZ   LYS  90          HZ2       LYS  90   9.804   0.694  -6.425
  706   3HZ   LYS  90          HZ3       LYS  90   9.315   0.810  -8.040
  707    H    GLU  91           HN       GLU  91   8.125  -1.042  -1.017
  708    HA   GLU  91           HA       GLU  91   9.306  -3.500  -2.041
  709   1HB   GLU  91          HB2       GLU  91  10.543  -1.873  -0.519
  710   2HB   GLU  91          HB1       GLU  91   9.493  -2.434   0.775
  711   1HG   GLU  91          HG2       GLU  91  11.045  -3.974   1.158
  712   2HG   GLU  91          HG1       GLU  91  10.441  -4.775  -0.292
  713    H    ILE  92           HN       ILE  92   6.376  -2.591  -0.866
  714    HA   ILE  92           HA       ILE  92   5.838  -4.779   0.894
  715    HB   ILE  92           HB       ILE  92   4.466  -2.374   0.080
  716   1HG1  ILE  92          HG12      ILE  92   3.437  -2.598   2.259
  717   2HG1  ILE  92          HG11      ILE  92   3.907  -4.292   2.344
  718   1HG2  ILE  92          HG21      ILE  92   3.031  -3.847  -1.218
  719   2HG2  ILE  92          HG22      ILE  92   2.168  -3.198   0.177
  720   3HG2  ILE  92          HG23      ILE  92   2.769  -4.856   0.205
  721   1HD1  ILE  92          HD11      ILE  92   5.528  -3.358   3.634
  722   2HD1  ILE  92          HD12      ILE  92   5.535  -1.846   2.724
  723   3HD1  ILE  92          HD13      ILE  92   6.320  -3.278   2.060
  724    H    PHE  93           HN       PHE  93   5.170  -3.911  -2.458
  725    HA   PHE  93           HA       PHE  93   3.560  -6.070  -3.173
  726   1HB   PHE  93          HB2       PHE  93   3.793  -5.298  -5.308
  727   2HB   PHE  93          HB1       PHE  93   4.526  -3.916  -4.498
  728    HD1  PHE  93           HD1      PHE  93   7.126  -4.549  -3.841
  729    HD2  PHE  93           HD2      PHE  93   4.923  -5.911  -7.213
  730    HE1  PHE  93           HE1      PHE  93   9.225  -4.975  -5.031
  731    HE2  PHE  93           HE2      PHE  93   7.023  -6.329  -8.420
  732    HZ   PHE  93           HZ       PHE  93   9.185  -5.860  -7.334
  733    H    HIS  94           HN       HIS  94   6.983  -5.864  -2.589
  734    HA   HIS  94           HA       HIS  94   7.843  -8.165  -3.954
  735   1HB   HIS  94          HB2       HIS  94   9.212  -6.264  -2.795
  736   2HB   HIS  94          HB1       HIS  94   9.097  -7.291  -1.369
  737    HD1  HIS  94           HD1      HIS  94  10.398  -7.411  -4.927
  738    HD2  HIS  94           HD2      HIS  94  10.931  -9.309  -1.270
  739    HE1  HIS  94           HE1      HIS  94  12.363  -8.947  -5.248
  740    HE2  HIS  94           HE2      HIS  94  12.720 -10.020  -2.996
  741    H    HIS  95           HN       HIS  95   7.348  -7.789  -0.448
  742    HA   HIS  95           HA       HIS  95   7.339 -10.561   0.072
  743   1HB   HIS  95          HB2       HIS  95   6.581  -8.108   1.588
  744   2HB   HIS  95          HB1       HIS  95   5.982  -9.653   2.183
  745    HD1  HIS  95           HD1      HIS  95   7.508 -10.842   3.725
  746    HD2  HIS  95           HD2      HIS  95   9.549  -8.175   1.277
  747    HE1  HIS  95           HE1      HIS  95   9.898 -10.910   4.504
  748    HE2  HIS  95           HE2      HIS  95  11.093  -9.212   3.075
  749    H    LEU  96           HN       LEU  96   5.090  -8.617  -1.508
  750    HA   LEU  96           HA       LEU  96   2.763 -10.155  -0.672
  751   1HB   LEU  96          HB2       LEU  96   3.199  -7.812  -2.495
  752   2HB   LEU  96          HB1       LEU  96   1.673  -8.677  -2.488
  753    HG   LEU  96           HG       LEU  96   2.931  -7.279  -0.146
  754   1HD1  LEU  96          HD11      LEU  96   0.551  -6.595  -1.862
  755   2HD1  LEU  96          HD12      LEU  96   2.066  -5.702  -1.749
  756   3HD1  LEU  96          HD13      LEU  96   0.975  -5.769  -0.364
  757   1HD2  LEU  96          HD21      LEU  96   1.494  -8.285   1.219
  758   2HD2  LEU  96          HD22      LEU  96   1.150  -9.408  -0.099
  759   3HD2  LEU  96          HD23      LEU  96   0.142  -7.981   0.128
  760    H    GLU  97           HN       GLU  97   4.206  -9.317  -3.819
  761    HA   GLU  97           HA       GLU  97   2.937 -11.411  -5.217
  762   1HB   GLU  97          HB2       GLU  97   5.231  -9.575  -5.783
  763   2HB   GLU  97          HB1       GLU  97   4.971 -10.958  -6.837
  764   1HG   GLU  97          HG2       GLU  97   2.483  -9.972  -6.782
  765   2HG   GLU  97          HG1       GLU  97   3.397  -8.487  -6.523
  766    H    GLU  98           HN       GLU  98   5.497 -11.407  -2.994
  767    HA   GLU  98           HA       GLU  98   6.818 -13.758  -4.076
  768   1HB   GLU  98          HB2       GLU  98   7.226 -12.059  -1.630
  769   2HB   GLU  98          HB1       GLU  98   8.032 -13.612  -1.793
  770   1HG   GLU  98          HG2       GLU  98   8.312 -11.926  -4.150
  771   2HG   GLU  98          HG1       GLU  98   8.979 -11.201  -2.687
  772    H    LEU  99           HN       LEU  99   4.389 -12.961  -1.724
  773    HA   LEU  99           HA       LEU  99   4.414 -15.320  -0.198
  774   1HB   LEU  99          HB2       LEU  99   3.222 -13.228   0.407
  775   2HB   LEU  99          HB1       LEU  99   2.056 -13.557  -0.859
  776    HG   LEU  99           HG       LEU  99   1.602 -15.762   0.382
  777   1HD1  LEU  99          HD11      LEU  99   3.701 -14.831   1.963
  778   2HD1  LEU  99          HD12      LEU  99   2.639 -16.195   2.296
  779   3HD1  LEU  99          HD13      LEU  99   2.251 -14.604   2.938
  780   1HD2  LEU  99          HD21      LEU  99   0.191 -14.467   2.110
  781   2HD2  LEU  99          HD22      LEU  99  -0.119 -14.199   0.394
  782   3HD2  LEU  99          HD23      LEU  99   0.821 -13.025   1.314
  783    H    VAL 100           HN       VAL 100   2.343 -14.404  -2.949
  784    HA   VAL 100           HA       VAL 100   1.134 -16.975  -3.153
  785    HB   VAL 100           HB       VAL 100   1.257 -14.820  -5.265
  786   1HG1  VAL 100          HG11      VAL 100  -0.210 -17.374  -4.977
  787   2HG1  VAL 100          HG12      VAL 100   0.373 -16.556  -6.426
  788   3HG1  VAL 100          HG13      VAL 100  -1.106 -16.004  -5.636
  789   1HG2  VAL 100          HG21      VAL 100  -0.684 -13.856  -4.357
  790   2HG2  VAL 100          HG22      VAL 100   0.372 -14.137  -2.972
  791   3HG2  VAL 100          HG23      VAL 100  -0.972 -15.233  -3.293
  792    H    HIS 101           HN       HIS 101   3.994 -15.518  -4.495
  793    HA   HIS 101           HA       HIS 101   4.340 -17.699  -6.405
  794   1HB   HIS 101          HB2       HIS 101   5.883 -15.149  -5.929
  795   2HB   HIS 101          HB1       HIS 101   6.385 -16.380  -7.082
  796    HD1  HIS 101           HD1      HIS 101   2.748 -15.819  -6.885
  797    HD2  HIS 101           HD2      HIS 101   5.959 -14.380  -9.095
  798    HE1  HIS 101           HE1      HIS 101   1.730 -14.632  -8.855
  799    HE2  HIS 101           HE2      HIS 101   3.690 -13.702 -10.135
  800    H    ARG 102           HN       ARG 102   4.472 -18.280  -3.579
  801    HA   ARG 102           HA       ARG 102   7.312 -19.023  -3.322
  802   1HB   ARG 102          HB2       ARG 102   5.825 -17.575  -1.541
  803   2HB   ARG 102          HB1       ARG 102   5.640 -19.204  -0.908
  804   1HG   ARG 102          HG2       ARG 102   7.770 -19.316  -0.212
  805   2HG   ARG 102          HG1       ARG 102   8.387 -18.461  -1.627
  806   1HD   ARG 102          HD2       ARG 102   7.690 -16.341  -0.691
  807   2HD   ARG 102          HD1       ARG 102   6.954 -17.161   0.686
  808    HE   ARG 102           HE       ARG 102   9.740 -17.754   0.402
  809   1HH1  ARG 102          HH11      ARG 102   7.458 -15.426   1.649
  810   2HH1  ARG 102          HH12      ARG 102   8.548 -14.813   2.846
  811   1HH2  ARG 102          HH21      ARG 102  11.174 -16.949   1.976
  812   2HH2  ARG 102          HH22      ARG 102  10.658 -15.676   3.032
  Start of MODEL   12
    1   1H    MET   1           HT1      MET   1   0.199 -23.080   6.002
    2   2H    MET   1           HT2      MET   1   1.245 -21.743   6.253
    3   3H    MET   1           HT3      MET   1   0.790 -22.191   4.661
    4    HA   MET   1           HA       MET   1  -1.451 -21.616   5.078
    5   1HB   MET   1          HB2       MET   1  -0.833 -22.132   7.675
    6   2HB   MET   1          HB1       MET   1  -0.832 -20.374   7.687
    7   1HG   MET   1          HG2       MET   1  -3.042 -20.299   7.679
    8   2HG   MET   1          HG1       MET   1  -3.131 -21.365   6.278
    9   1HE   MET   1          HE1       MET   1  -3.766 -23.370   6.116
   10   2HE   MET   1          HE2       MET   1  -4.688 -24.271   7.320
   11   3HE   MET   1          HE3       MET   1  -2.963 -24.583   7.114
   12    H    TYR   2           HN       TYR   2  -0.958 -20.173   3.457
   13    HA   TYR   2           HA       TYR   2   0.695 -17.869   3.924
   14   1HB   TYR   2          HB2       TYR   2  -1.125 -18.522   1.595
   15   2HB   TYR   2          HB1       TYR   2   0.073 -17.232   1.629
   16    HD1  TYR   2           HD1      TYR   2   2.327 -17.662   1.086
   17    HD2  TYR   2           HD2      TYR   2  -0.330 -20.918   1.747
   18    HE1  TYR   2           HE1      TYR   2   4.034 -19.219   0.243
   19    HE2  TYR   2           HE2      TYR   2   1.368 -22.483   0.908
   20    HH   TYR   2           HH       TYR   2   3.356 -22.422  -0.578
   21    H    GLY   3           HN       GLY   3   0.051 -16.088   4.933
   22   1HA   GLY   3          HA2       GLY   3  -2.214 -14.602   4.307
   23   2HA   GLY   3          HA1       GLY   3  -2.645 -15.619   5.673
   24    H    LYS   4           HN       LYS   4   0.071 -15.534   6.800
   25    HA   LYS   4           HA       LYS   4  -0.239 -13.323   8.493
   26   1HB   LYS   4          HB2       LYS   4   1.105 -15.409   8.975
   27   2HB   LYS   4          HB1       LYS   4   2.363 -14.755   7.933
   28   1HG   LYS   4          HG2       LYS   4   3.106 -14.114  10.002
   29   2HG   LYS   4          HG1       LYS   4   2.201 -12.684   9.503
   30   1HD   LYS   4          HD2       LYS   4   0.317 -13.332  10.833
   31   2HD   LYS   4          HD1       LYS   4   1.045 -14.899  11.189
   32   1HE   LYS   4          HE2       LYS   4   2.982 -13.200  12.054
   33   2HE   LYS   4          HE1       LYS   4   1.526 -12.268  12.401
   34   1HZ   LYS   4          HZ1       LYS   4   0.761 -14.562  13.388
   35   2HZ   LYS   4          HZ2       LYS   4   1.689 -13.482  14.300
   36   3HZ   LYS   4          HZ3       LYS   4   2.428 -14.805  13.547
   37    H    LEU   5           HN       LEU   5   1.008 -13.472   5.321
   38    HA   LEU   5           HA       LEU   5   2.908 -11.465   5.298
   39   1HB   LEU   5          HB2       LEU   5   1.521 -12.888   3.381
   40   2HB   LEU   5          HB1       LEU   5   0.984 -11.243   3.103
   41    HG   LEU   5           HG       LEU   5   2.851 -11.642   1.674
   42   1HD1  LEU   5          HD11      LEU   5   2.695  -9.527   3.288
   43   2HD1  LEU   5          HD12      LEU   5   4.004  -9.739   2.127
   44   3HD1  LEU   5          HD13      LEU   5   4.251 -10.160   3.821
   45   1HD2  LEU   5          HD21      LEU   5   3.689 -13.427   3.565
   46   2HD2  LEU   5          HD22      LEU   5   4.849 -12.113   3.763
   47   3HD2  LEU   5          HD23      LEU   5   4.648 -12.883   2.189
   48    H    ASN   6           HN       ASN   6  -0.490 -11.331   5.905
   49    HA   ASN   6           HA       ASN   6  -1.043  -8.675   5.349
   50   1HB   ASN   6          HB2       ASN   6  -2.819  -8.904   7.119
   51   2HB   ASN   6          HB1       ASN   6  -2.865 -10.112   5.839
   52   1HD2  ASN   6          HD21      ASN   6  -4.210 -10.888   7.865
   53   2HD2  ASN   6          HD22      ASN   6  -3.363 -12.002   8.879
   54    H    ASP   7           HN       ASP   7   0.343 -10.171   8.226
   55    HA   ASP   7           HA       ASP   7   0.349  -8.036   9.975
   56   1HB   ASP   7          HB2       ASP   7   1.179 -10.388  10.425
   57   2HB   ASP   7          HB1       ASP   7   2.682  -9.928   9.628
   58    H    LEU   8           HN       LEU   8   2.291  -8.610   7.151
   59    HA   LEU   8           HA       LEU   8   4.085  -6.395   7.678
   60   1HB   LEU   8          HB2       LEU   8   4.982  -8.340   6.555
   61   2HB   LEU   8          HB1       LEU   8   3.753  -8.239   5.310
   62    HG   LEU   8           HG       LEU   8   6.089  -7.454   4.691
   63   1HD1  LEU   8          HD11      LEU   8   5.176  -6.245   3.047
   64   2HD1  LEU   8          HD12      LEU   8   4.366  -5.147   4.165
   65   3HD1  LEU   8          HD13      LEU   8   3.643  -6.711   3.786
   66   1HD2  LEU   8          HD21      LEU   8   6.542  -5.063   5.293
   67   2HD2  LEU   8          HD22      LEU   8   6.710  -6.211   6.620
   68   3HD2  LEU   8          HD23      LEU   8   5.272  -5.198   6.508
   69    H    LEU   9           HN       LEU   9   1.187  -7.090   5.856
   70    HA   LEU   9           HA       LEU   9   1.241  -4.886   4.107
   71   1HB   LEU   9          HB2       LEU   9  -0.887  -6.692   5.169
   72   2HB   LEU   9          HB1       LEU   9  -1.364  -5.242   4.304
   73    HG   LEU   9           HG       LEU   9   0.532  -7.260   3.123
   74   1HD1  LEU   9          HD11      LEU   9  -2.243  -7.255   2.177
   75   2HD1  LEU   9          HD12      LEU   9  -2.017  -7.898   3.805
   76   3HD1  LEU   9          HD13      LEU   9  -1.134  -8.600   2.449
   77   1HD2  LEU   9          HD21      LEU   9  -0.759  -6.130   1.066
   78   2HD2  LEU   9          HD22      LEU   9   0.730  -5.475   1.748
   79   3HD2  LEU   9          HD23      LEU   9  -0.829  -4.799   2.219
   80    H    GLU  10           HN       GLU  10   0.184  -5.266   7.431
   81    HA   GLU  10           HA       GLU  10  -1.331  -2.979   7.791
   82   1HB   GLU  10          HB2       GLU  10  -0.331  -4.974   9.420
   83   2HB   GLU  10          HB1       GLU  10   0.445  -3.526  10.047
   84   1HG   GLU  10          HG2       GLU  10  -1.476  -3.613  11.296
   85   2HG   GLU  10          HG1       GLU  10  -1.951  -2.531   9.988
   86    H    ASP  11           HN       ASP  11   2.190  -3.344   7.921
   87    HA   ASP  11           HA       ASP  11   2.894  -0.835   8.854
   88   1HB   ASP  11          HB2       ASP  11   4.216  -3.039   7.640
   89   2HB   ASP  11          HB1       ASP  11   4.736  -1.586   6.792
   90    H    LEU  12           HN       LEU  12   2.292  -1.847   5.510
   91    HA   LEU  12           HA       LEU  12   2.872   0.567   4.261
   92   1HB   LEU  12          HB2       LEU  12   2.488  -0.700   2.478
   93   2HB   LEU  12          HB1       LEU  12   1.875  -1.963   3.518
   94    HG   LEU  12           HG       LEU  12  -0.146   0.072   2.896
   95   1HD1  LEU  12          HD11      LEU  12   1.446  -1.108   0.730
   96   2HD1  LEU  12          HD12      LEU  12   0.454   0.350   0.757
   97   3HD1  LEU  12          HD13      LEU  12  -0.304  -1.228   0.553
   98   1HD2  LEU  12          HD21      LEU  12  -1.116  -2.283   2.035
   99   2HD2  LEU  12          HD22      LEU  12  -1.158  -1.772   3.721
  100   3HD2  LEU  12          HD23      LEU  12   0.118  -2.851   3.158
  101    H    GLN  13           HN       GLN  13  -0.360  -0.704   5.080
  102    HA   GLN  13           HA       GLN  13  -1.815   1.553   4.437
  103   1HB   GLN  13          HB2       GLN  13  -2.768  -0.671   5.054
  104   2HB   GLN  13          HB1       GLN  13  -2.408  -0.321   6.739
  105   1HG   GLN  13          HG2       GLN  13  -3.836   1.887   5.944
  106   2HG   GLN  13          HG1       GLN  13  -4.616   0.570   5.071
  107   1HE2  GLN  13          HE21      GLN  13  -4.203  -1.474   6.937
  108   2HE2  GLN  13          HE22      GLN  13  -5.171  -1.145   8.330
  109    H    GLU  14           HN       GLU  14  -0.022   0.842   7.380
  110    HA   GLU  14           HA       GLU  14  -0.975   3.172   8.777
  111   1HB   GLU  14          HB2       GLU  14  -0.156   1.047   9.888
  112   2HB   GLU  14          HB1       GLU  14   1.471   1.514   9.412
  113   1HG   GLU  14          HG2       GLU  14   1.593   2.566  11.360
  114   2HG   GLU  14          HG1       GLU  14   0.511   3.769  10.662
  115    H    VAL  15           HN       VAL  15   1.669   2.353   6.674
  116    HA   VAL  15           HA       VAL  15   3.309   4.566   7.266
  117    HB   VAL  15           HB       VAL  15   3.759   2.392   5.828
  118   1HG1  VAL  15          HG11      VAL  15   2.429   4.128   3.906
  119   2HG1  VAL  15          HG12      VAL  15   2.832   2.419   3.803
  120   3HG1  VAL  15          HG13      VAL  15   4.036   3.629   3.389
  121   1HG2  VAL  15          HG21      VAL  15   5.091   4.987   5.110
  122   2HG2  VAL  15          HG22      VAL  15   5.788   3.362   5.108
  123   3HG2  VAL  15          HG23      VAL  15   5.348   4.131   6.632
  124    H    LEU  16           HN       LEU  16   0.420   4.171   5.406
  125    HA   LEU  16           HA       LEU  16   0.603   6.471   3.787
  126   1HB   LEU  16          HB2       LEU  16  -1.693   4.829   4.810
  127   2HB   LEU  16          HB1       LEU  16  -1.991   6.312   3.926
  128    HG   LEU  16           HG       LEU  16  -2.170   4.623   2.316
  129   1HD1  LEU  16          HD11      LEU  16  -0.359   4.983   0.781
  130   2HD1  LEU  16          HD12      LEU  16   0.696   5.523   2.087
  131   3HD1  LEU  16          HD13      LEU  16  -0.703   6.493   1.626
  132   1HD2  LEU  16          HD21      LEU  16  -0.826   3.050   3.996
  133   2HD2  LEU  16          HD22      LEU  16   0.449   3.358   2.817
  134   3HD2  LEU  16          HD23      LEU  16  -1.081   2.647   2.300
  135    H    LYS  17           HN       LYS  17  -0.455   5.921   7.094
  136    HA   LYS  17           HA       LYS  17  -1.801   8.189   7.763
  137   1HB   LYS  17          HB2       LYS  17  -1.273   6.400   9.365
  138   2HB   LYS  17          HB1       LYS  17   0.409   6.912   9.385
  139   1HG   LYS  17          HG2       LYS  17  -0.889   9.225  10.023
  140   2HG   LYS  17          HG1       LYS  17  -1.908   8.005  10.788
  141   1HD   LYS  17          HD2       LYS  17  -0.416   8.290  12.476
  142   2HD   LYS  17          HD1       LYS  17   0.480   7.085  11.548
  143   1HE   LYS  17          HE2       LYS  17   1.500   9.125  10.333
  144   2HE   LYS  17          HE1       LYS  17   0.909  10.046  11.715
  145   1HZ   LYS  17          HZ1       LYS  17   2.138   8.142  13.016
  146   2HZ   LYS  17          HZ2       LYS  17   2.975   9.499  12.450
  147   3HZ   LYS  17          HZ3       LYS  17   3.041   8.046  11.587
  148    H    ASN  18           HN       ASN  18   1.608   7.840   7.128
  149    HA   ASN  18           HA       ASN  18   2.288  10.544   7.880
  150   1HB   ASN  18          HB2       ASN  18   3.708   8.156   7.251
  151   2HB   ASN  18          HB1       ASN  18   4.240   9.397   6.119
  152   1HD2  ASN  18          HD21      ASN  18   5.928  10.489   6.778
  153   2HD2  ASN  18          HD22      ASN  18   6.346  10.845   8.416
  154    H    LEU  19           HN       LEU  19   1.990   8.742   4.854
  155    HA   LEU  19           HA       LEU  19   2.596  10.651   2.999
  156   1HB   LEU  19          HB2       LEU  19   2.138   8.827   1.806
  157   2HB   LEU  19          HB1       LEU  19   1.146   8.167   3.083
  158    HG   LEU  19           HG       LEU  19  -0.028  10.249   1.293
  159   1HD1  LEU  19          HD11      LEU  19   0.641   7.438   0.551
  160   2HD1  LEU  19          HD12      LEU  19   0.734   8.907  -0.414
  161   3HD1  LEU  19          HD13      LEU  19  -0.833   8.184  -0.064
  162   1HD2  LEU  19          HD21      LEU  19  -0.916   8.292   3.250
  163   2HD2  LEU  19          HD22      LEU  19  -1.839   8.243   1.757
  164   3HD2  LEU  19          HD23      LEU  19  -1.709   9.749   2.661
  165    H    HIS  20           HN       HIS  20  -0.522  10.193   4.621
  166    HA   HIS  20           HA       HIS  20  -2.111  11.952   3.242
  167   1HB   HIS  20          HB2       HIS  20  -2.059  11.529   6.237
  168   2HB   HIS  20          HB1       HIS  20  -3.388  12.245   5.337
  169    HD1  HIS  20           HD1      HIS  20  -3.073   9.420   7.062
  170    HD2  HIS  20           HD2      HIS  20  -3.705   9.987   3.003
  171    HE1  HIS  20           HE1      HIS  20  -4.129   7.290   6.246
  172    HE2  HIS  20           HE2      HIS  20  -4.614   7.705   3.810
  173    H    LYS  21           HN       LYS  21   0.310  12.714   5.682
  174    HA   LYS  21           HA       LYS  21  -0.411  15.526   5.658
  175   1HB   LYS  21          HB2       LYS  21   1.939  14.341   7.100
  176   2HB   LYS  21          HB1       LYS  21   1.009  15.779   7.505
  177   1HG   LYS  21          HG2       LYS  21  -0.086  12.982   7.599
  178   2HG   LYS  21          HG1       LYS  21   0.599  13.828   8.988
  179   1HD   LYS  21          HD2       LYS  21  -1.670  14.254   9.225
  180   2HD   LYS  21          HD1       LYS  21  -1.105  15.692   8.375
  181   1HE   LYS  21          HE2       LYS  21  -2.155  15.115   6.420
  182   2HE   LYS  21          HE1       LYS  21  -2.027  13.389   6.743
  183   1HZ   LYS  21          HZ1       LYS  21  -3.712  14.772   8.614
  184   2HZ   LYS  21          HZ2       LYS  21  -4.009  13.360   7.731
  185   3HZ   LYS  21          HZ3       LYS  21  -4.270  14.873   7.019
  186    H    ASN  22           HN       ASN  22   1.282  13.768   3.520
  187    HA   ASN  22           HA       ASN  22   2.835  16.098   2.754
  188   1HB   ASN  22          HB2       ASN  22   4.050  13.484   3.553
  189   2HB   ASN  22          HB1       ASN  22   4.828  14.466   2.314
  190   1HD2  ASN  22          HD21      ASN  22   4.543  16.975   3.137
  191   2HD2  ASN  22          HD22      ASN  22   5.291  17.223   4.674
  192    H    TRP  23           HN       TRP  23   0.554  14.285   1.759
  193    HA   TRP  23           HA       TRP  23   1.690  13.348  -0.746
  194   1HB   TRP  23          HB2       TRP  23  -0.132  12.022  -0.944
  195   2HB   TRP  23          HB1       TRP  23  -0.331  12.360   0.769
  196    HD1  TRP  23           HD1      TRP  23  -2.551  13.424   1.448
  197    HE1  TRP  23           HE1      TRP  23  -4.553  14.449   0.237
  198    HE3  TRP  23           HE3      TRP  23  -0.653  13.359  -3.239
  199    HZ2  TRP  23           HZ2      TRP  23  -5.245  15.108  -2.459
  200    HZ3  TRP  23           HZ3      TRP  23  -2.026  14.162  -5.091
  201    HH2  TRP  23           HH2      TRP  23  -4.285  15.029  -4.719
  202    H    HIS  24           HN       HIS  24  -0.844  15.667   0.263
  203    HA   HIS  24           HA       HIS  24  -0.030  17.684  -1.472
  204   1HB   HIS  24          HB2       HIS  24  -0.788  16.027  -3.210
  205   2HB   HIS  24          HB1       HIS  24  -2.418  16.239  -2.590
  206    HD1  HIS  24           HD1      HIS  24  -2.126  17.014  -5.427
  207    HD2  HIS  24           HD2      HIS  24  -1.274  19.649  -2.327
  208    HE1  HIS  24           HE1      HIS  24  -2.308  19.313  -6.433
  209    HE2  HIS  24           HE2      HIS  24  -1.873  20.894  -4.519
  210    H    GLY  25           HN       GLY  25  -0.775  17.877   1.054
  211   1HA   GLY  25          HA2       GLY  25  -2.018  19.259   2.397
  212   2HA   GLY  25          HA1       GLY  25  -2.818  19.831   0.951
  213    H    GLY  26           HN       GLY  26  -3.316  18.510   3.843
  214   1HA   GLY  26          HA2       GLY  26  -5.101  17.567   4.886
  215   2HA   GLY  26          HA1       GLY  26  -6.036  18.130   3.515
  216    H    LYS  27           HN       LYS  27  -5.664  15.589   5.295
  217    HA   LYS  27           HA       LYS  27  -5.156  13.466   3.476
  218   1HB   LYS  27          HB2       LYS  27  -4.975  13.173   5.907
  219   2HB   LYS  27          HB1       LYS  27  -6.695  13.486   6.083
  220   1HG   LYS  27          HG2       LYS  27  -7.164  11.476   4.727
  221   2HG   LYS  27          HG1       LYS  27  -5.433  11.143   4.680
  222   1HD   LYS  27          HD2       LYS  27  -5.792   9.940   6.536
  223   2HD   LYS  27          HD1       LYS  27  -5.891  11.498   7.359
  224   1HE   LYS  27          HE2       LYS  27  -8.420  11.238   6.393
  225   2HE   LYS  27          HE1       LYS  27  -7.999   9.557   6.718
  226   1HZ   LYS  27          HZ1       LYS  27  -8.700  10.087   8.771
  227   2HZ   LYS  27          HZ2       LYS  27  -8.444  11.746   8.568
  228   3HZ   LYS  27          HZ3       LYS  27  -7.146  10.731   8.950
  229    H    ASP  28           HN       ASP  28  -7.768  15.590   3.903
  230    HA   ASP  28           HA       ASP  28 -10.045  14.170   3.435
  231   1HB   ASP  28          HB2       ASP  28  -9.392  16.828   3.459
  232   2HB   ASP  28          HB1       ASP  28  -9.860  16.591   1.778
  233    H    ASN  29           HN       ASN  29  -7.748  15.319   0.944
  234    HA   ASN  29           HA       ASN  29  -9.259  14.082  -1.166
  235   1HB   ASN  29          HB2       ASN  29  -6.582  15.431  -1.017
  236   2HB   ASN  29          HB1       ASN  29  -7.068  14.558  -2.467
  237   1HD2  ASN  29          HD21      ASN  29  -8.535  16.845  -0.179
  238   2HD2  ASN  29          HD22      ASN  29  -9.218  17.874  -1.387
  239    H    LEU  30           HN       LEU  30  -6.215  13.299   0.515
  240    HA   LEU  30           HA       LEU  30  -5.607  10.973  -0.920
  241   1HB   LEU  30          HB2       LEU  30  -4.348  12.311   1.017
  242   2HB   LEU  30          HB1       LEU  30  -5.040  11.042   1.997
  243    HG   LEU  30           HG       LEU  30  -2.742  10.520   1.335
  244   1HD1  LEU  30          HD11      LEU  30  -4.270   8.687   1.736
  245   2HD1  LEU  30          HD12      LEU  30  -3.155   8.279   0.431
  246   3HD1  LEU  30          HD13      LEU  30  -4.805   8.753   0.062
  247   1HD2  LEU  30          HD21      LEU  30  -3.428   9.959  -1.466
  248   2HD2  LEU  30          HD22      LEU  30  -1.928  10.564  -0.763
  249   3HD2  LEU  30          HD23      LEU  30  -3.281  11.665  -1.051
  250    H    HIS  31           HN       HIS  31  -7.931  11.602   1.590
  251    HA   HIS  31           HA       HIS  31  -8.447   9.156   2.686
  252   1HB   HIS  31          HB2       HIS  31  -9.651  11.319   3.172
  253   2HB   HIS  31          HB1       HIS  31 -10.616  11.032   1.728
  254    HD1  HIS  31           HD1      HIS  31 -10.022   7.868   3.323
  255    HD2  HIS  31           HD2      HIS  31 -12.670  11.019   3.896
  256    HE1  HIS  31           HE1      HIS  31 -11.903   6.925   4.700
  257    HE2  HIS  31           HE2      HIS  31 -13.532   8.827   4.963
  258    H    ASP  32           HN       ASP  32  -9.704  10.380  -0.402
  259    HA   ASP  32           HA       ASP  32 -11.094   8.007  -1.082
  260   1HB   ASP  32          HB2       ASP  32 -10.595  10.590  -2.265
  261   2HB   ASP  32          HB1       ASP  32 -10.372   9.324  -3.470
  262    H    VAL  33           HN       VAL  33  -7.837   9.111  -1.472
  263    HA   VAL  33           HA       VAL  33  -6.996   7.153  -3.369
  264    HB   VAL  33           HB       VAL  33  -5.680   9.176  -1.640
  265   1HG1  VAL  33          HG11      VAL  33  -4.167   7.418  -1.219
  266   2HG1  VAL  33          HG12      VAL  33  -3.455   8.334  -2.548
  267   3HG1  VAL  33          HG13      VAL  33  -4.298   6.822  -2.866
  268   1HG2  VAL  33          HG21      VAL  33  -6.547   9.628  -3.921
  269   2HG2  VAL  33          HG22      VAL  33  -5.341   8.498  -4.540
  270   3HG2  VAL  33          HG23      VAL  33  -4.828   9.974  -3.716
  271    H    ASP  34           HN       ASP  34  -6.165   7.544   0.091
  272    HA   ASP  34           HA       ASP  34  -5.080   4.964   0.331
  273   1HB   ASP  34          HB2       ASP  34  -4.362   6.345   2.040
  274   2HB   ASP  34          HB1       ASP  34  -5.955   7.067   2.270
  275    H    ASN  35           HN       ASN  35  -8.321   6.118   0.222
  276    HA   ASN  35           HA       ASN  35  -9.651   4.052   1.608
  277   1HB   ASN  35          HB2       ASN  35 -10.384   6.169  -0.275
  278   2HB   ASN  35          HB1       ASN  35 -11.310   4.697  -0.541
  279   1HD2  ASN  35          HD21      ASN  35 -12.257   3.720   1.458
  280   2HD2  ASN  35          HD22      ASN  35 -12.932   4.806   2.621
  281    H    HIS  36           HN       HIS  36  -8.461   4.431  -1.671
  282    HA   HIS  36           HA       HIS  36  -9.374   1.950  -2.700
  283   1HB   HIS  36          HB2       HIS  36  -7.564   4.110  -3.543
  284   2HB   HIS  36          HB1       HIS  36  -7.046   2.517  -4.087
  285    HD1  HIS  36           HD1      HIS  36  -7.900   2.008  -6.341
  286    HD2  HIS  36           HD2      HIS  36 -10.556   4.378  -4.197
  287    HE1  HIS  36           HE1      HIS  36  -9.839   2.418  -7.890
  288    HE2  HIS  36           HE2      HIS  36 -11.398   3.916  -6.598
  289    H    LEU  37           HN       LEU  37  -6.309   3.091  -1.343
  290    HA   LEU  37           HA       LEU  37  -4.833   0.742  -1.412
  291   1HB   LEU  37          HB2       LEU  37  -4.198   3.110  -0.599
  292   2HB   LEU  37          HB1       LEU  37  -4.779   2.578   0.961
  293    HG   LEU  37           HG       LEU  37  -2.636   2.019   1.286
  294   1HD1  LEU  37          HD11      LEU  37  -3.685  -0.153   1.271
  295   2HD1  LEU  37          HD12      LEU  37  -2.052  -0.274   0.618
  296   3HD1  LEU  37          HD13      LEU  37  -3.440  -0.291  -0.470
  297   1HD2  LEU  37          HD21      LEU  37  -1.419   2.916  -0.383
  298   2HD2  LEU  37          HD22      LEU  37  -2.493   2.295  -1.638
  299   3HD2  LEU  37          HD23      LEU  37  -1.284   1.238  -0.909
  300    H    GLN  38           HN       GLN  38  -6.491   1.939   1.503
  301    HA   GLN  38           HA       GLN  38  -6.321  -0.265   3.092
  302   1HB   GLN  38          HB2       GLN  38  -7.869   2.116   3.054
  303   2HB   GLN  38          HB1       GLN  38  -8.961   0.788   3.419
  304   1HG   GLN  38          HG2       GLN  38  -6.598   0.450   4.959
  305   2HG   GLN  38          HG1       GLN  38  -7.151   2.114   5.138
  306   1HE2  GLN  38          HE21      GLN  38  -7.569  -1.081   6.104
  307   2HE2  GLN  38          HE22      GLN  38  -9.030  -0.885   7.004
  308    H    ASN  39           HN       ASN  39  -8.748   0.346   0.589
  309    HA   ASN  39           HA       ASN  39 -10.363  -1.897   1.038
  310   1HB   ASN  39          HB2       ASN  39  -9.823  -0.131  -1.312
  311   2HB   ASN  39          HB1       ASN  39 -10.693  -1.637  -1.585
  312   1HD2  ASN  39          HD21      ASN  39 -11.475   1.254  -1.679
  313   2HD2  ASN  39          HD22      ASN  39 -12.887   1.353  -0.688
  314    H    VAL  40           HN       VAL  40  -7.279  -1.534  -0.537
  315    HA   VAL  40           HA       VAL  40  -7.222  -3.995  -1.927
  316    HB   VAL  40           HB       VAL  40  -4.838  -2.542  -0.771
  317   1HG1  VAL  40          HG11      VAL  40  -4.294  -3.631  -3.304
  318   2HG1  VAL  40          HG12      VAL  40  -5.139  -4.881  -2.392
  319   3HG1  VAL  40          HG13      VAL  40  -3.670  -4.157  -1.742
  320   1HG2  VAL  40          HG21      VAL  40  -6.511  -1.943  -3.173
  321   2HG2  VAL  40          HG22      VAL  40  -4.786  -1.571  -3.175
  322   3HG2  VAL  40          HG23      VAL  40  -5.842  -0.843  -1.969
  323    H    ILE  41           HN       ILE  41  -5.944  -3.013   1.239
  324    HA   ILE  41           HA       ILE  41  -4.742  -5.289   2.118
  325    HB   ILE  41           HB       ILE  41  -6.597  -3.722   3.902
  326   1HG1  ILE  41          HG12      ILE  41  -5.335  -2.040   2.785
  327   2HG1  ILE  41          HG11      ILE  41  -4.550  -2.287   4.339
  328   1HG2  ILE  41          HG21      ILE  41  -5.148  -5.894   4.500
  329   2HG2  ILE  41          HG22      ILE  41  -5.475  -4.601   5.653
  330   3HG2  ILE  41          HG23      ILE  41  -3.938  -4.644   4.791
  331   1HD1  ILE  41          HD11      ILE  41  -3.027  -2.037   2.367
  332   2HD1  ILE  41          HD12      ILE  41  -3.613  -3.604   1.810
  333   3HD1  ILE  41          HD13      ILE  41  -2.766  -3.476   3.352
  334    H    GLU  42           HN       GLU  42  -8.234  -4.665   2.098
  335    HA   GLU  42           HA       GLU  42  -8.882  -7.111   3.416
  336   1HB   GLU  42          HB2       GLU  42 -11.168  -6.555   3.031
  337   2HB   GLU  42          HB1       GLU  42 -10.335  -5.050   3.389
  338   1HG   GLU  42          HG2       GLU  42 -10.849  -4.169   1.417
  339   2HG   GLU  42          HG1       GLU  42 -10.415  -5.636   0.543
  340    H    ASP  43           HN       ASP  43  -8.396  -6.174   0.112
  341    HA   ASP  43           HA       ASP  43  -9.508  -8.648  -0.896
  342   1HB   ASP  43          HB2       ASP  43  -8.676  -6.101  -2.026
  343   2HB   ASP  43          HB1       ASP  43  -8.035  -7.455  -2.952
  344    H    ILE  44           HN       ILE  44  -6.453  -7.354   0.072
  345    HA   ILE  44           HA       ILE  44  -4.942  -9.478  -1.186
  346    HB   ILE  44           HB       ILE  44  -3.958  -7.382   0.745
  347   1HG1  ILE  44          HG12      ILE  44  -5.075  -6.578  -1.437
  348   2HG1  ILE  44          HG11      ILE  44  -3.470  -5.964  -1.060
  349   1HG2  ILE  44          HG21      ILE  44  -1.882  -8.004  -0.897
  350   2HG2  ILE  44          HG22      ILE  44  -2.690  -9.565  -0.739
  351   3HG2  ILE  44          HG23      ILE  44  -2.149  -8.701   0.700
  352   1HD1  ILE  44          HD11      ILE  44  -3.682  -8.392  -2.754
  353   2HD1  ILE  44          HD12      ILE  44  -2.492  -7.091  -2.779
  354   3HD1  ILE  44          HD13      ILE  44  -4.097  -6.830  -3.461
  355    H    HIS  45           HN       HIS  45  -5.617  -8.387   2.133
  356    HA   HIS  45           HA       HIS  45  -4.324 -10.576   3.371
  357   1HB   HIS  45          HB2       HIS  45  -4.874  -9.573   5.341
  358   2HB   HIS  45          HB1       HIS  45  -5.203  -8.208   4.281
  359    HD1  HIS  45           HD1      HIS  45  -6.598  -9.331   7.121
  360    HD2  HIS  45           HD2      HIS  45  -8.196  -8.957   3.304
  361    HE1  HIS  45           HE1      HIS  45  -9.089  -9.205   7.448
  362    HE2  HIS  45           HE2      HIS  45 -10.030  -8.888   5.132
  363    H    ASP  46           HN       ASP  46  -7.518 -10.171   2.038
  364    HA   ASP  46           HA       ASP  46  -8.548 -12.536   3.377
  365   1HB   ASP  46          HB2       ASP  46  -9.977 -10.519   2.861
  366   2HB   ASP  46          HB1       ASP  46  -9.842 -10.940   1.157
  367    H    PHE  47           HN       PHE  47  -7.514 -11.513   0.177
  368    HA   PHE  47           HA       PHE  47  -8.110 -14.038  -1.054
  369   1HB   PHE  47          HB2       PHE  47  -6.494 -11.656  -1.943
  370   2HB   PHE  47          HB1       PHE  47  -6.604 -13.120  -2.908
  371    HD1  PHE  47           HD1      PHE  47  -9.312 -11.547  -0.908
  372    HD2  PHE  47           HD2      PHE  47  -7.768 -12.373  -4.785
  373    HE1  PHE  47           HE1      PHE  47 -11.407 -10.744  -1.909
  374    HE2  PHE  47           HE2      PHE  47  -9.861 -11.570  -5.794
  375    HZ   PHE  47           HZ       PHE  47 -11.684 -10.753  -4.355
  376    H    MET  48           HN       MET  48  -5.441 -12.726   0.716
  377    HA   MET  48           HA       MET  48  -3.283 -14.216  -0.140
  378   1HB   MET  48          HB2       MET  48  -3.913 -12.615   2.098
  379   2HB   MET  48          HB1       MET  48  -3.297 -14.131   2.736
  380   1HG   MET  48          HG2       MET  48  -1.266 -13.316   2.412
  381   2HG   MET  48          HG1       MET  48  -1.556 -13.529   0.687
  382   1HE   MET  48          HE1       MET  48  -1.457 -11.653  -0.987
  383   2HE   MET  48          HE2       MET  48   0.068 -11.732  -0.103
  384   3HE   MET  48          HE3       MET  48  -0.658 -10.168  -0.469
  385    H    GLN  49           HN       GLN  49  -5.919 -15.171   1.997
  386    HA   GLN  49           HA       GLN  49  -4.844 -17.683   2.735
  387   1HB   GLN  49          HB2       GLN  49  -7.291 -16.201   3.158
  388   2HB   GLN  49          HB1       GLN  49  -7.645 -17.891   2.823
  389   1HG   GLN  49          HG2       GLN  49  -6.177 -18.580   4.630
  390   2HG   GLN  49          HG1       GLN  49  -5.758 -16.898   4.947
  391   1HE2  GLN  49          HE21      GLN  49  -7.520 -19.347   6.078
  392   2HE2  GLN  49          HE22      GLN  49  -8.818 -18.488   6.829
  393    H    GLY  50           HN       GLY  50  -6.504 -16.546  -0.080
  394   1HA   GLY  50          HA2       GLY  50  -6.001 -18.085  -2.027
  395   2HA   GLY  50          HA1       GLY  50  -6.769 -19.323  -1.044
  396    H    GLY  51           HN       GLY  51  -8.475 -16.619  -0.342
  397   1HA   GLY  51          HA2       GLY  51 -10.831 -17.385  -1.549
  398   2HA   GLY  51          HA1       GLY  51 -10.473 -15.733  -1.068
  399    H    GLY  52           HN       GLY  52  -8.276 -15.360  -2.860
  400   1HA   GLY  52          HA2       GLY  52  -9.189 -15.857  -5.544
  401   2HA   GLY  52          HA1       GLY  52  -9.414 -14.190  -5.035
  402    H    SER  53           HN       SER  53  -6.749 -16.031  -3.791
  403    HA   SER  53           HA       SER  53  -4.827 -14.161  -4.573
  404   1HB   SER  53          HB2       SER  53  -4.840 -16.259  -2.851
  405   2HB   SER  53          HB1       SER  53  -3.881 -16.934  -4.168
  406    HG   SER  53           HG       SER  53  -2.327 -15.523  -3.785
  407    H    GLY  54           HN       GLY  54  -2.718 -15.250  -5.725
  408   1HA   GLY  54          HA2       GLY  54  -1.811 -15.607  -7.808
  409   2HA   GLY  54          HA1       GLY  54  -2.942 -16.951  -7.879
  410    H    GLY  55           HN       GLY  55  -3.105 -13.390  -8.125
  411   1HA   GLY  55          HA2       GLY  55  -3.615 -12.885 -10.664
  412   2HA   GLY  55          HA1       GLY  55  -5.122 -13.672 -10.223
  413    H    LYS  56           HN       LYS  56  -4.717 -12.435  -7.439
  414    HA   LYS  56           HA       LYS  56  -6.148  -9.980  -8.053
  415   1HB   LYS  56          HB2       LYS  56  -6.552  -9.879  -5.624
  416   2HB   LYS  56          HB1       LYS  56  -7.045 -11.421  -6.311
  417   1HG   LYS  56          HG2       LYS  56  -5.928 -12.279  -4.565
  418   2HG   LYS  56          HG1       LYS  56  -4.509 -11.995  -5.568
  419   1HD   LYS  56          HD2       LYS  56  -4.133  -9.859  -4.482
  420   2HD   LYS  56          HD1       LYS  56  -5.609 -10.055  -3.536
  421   1HE   LYS  56          HE2       LYS  56  -3.659 -10.607  -2.195
  422   2HE   LYS  56          HE1       LYS  56  -4.652 -12.038  -2.463
  423   1HZ   LYS  56          HZ1       LYS  56  -2.840 -11.995  -4.536
  424   2HZ   LYS  56          HZ2       LYS  56  -2.823 -13.025  -3.195
  425   3HZ   LYS  56          HZ3       LYS  56  -1.939 -11.584  -3.164
  426    H    LEU  57           HN       LEU  57  -3.153 -10.982  -6.474
  427    HA   LEU  57           HA       LEU  57  -2.396  -8.411  -5.611
  428   1HB   LEU  57          HB2       LEU  57  -1.477 -10.607  -4.817
  429   2HB   LEU  57          HB1       LEU  57  -0.541 -10.675  -6.297
  430    HG   LEU  57           HG       LEU  57   0.414  -8.397  -5.565
  431   1HD1  LEU  57          HD11      LEU  57  -1.452  -8.551  -3.615
  432   2HD1  LEU  57          HD12      LEU  57   0.027  -7.596  -3.501
  433   3HD1  LEU  57          HD13      LEU  57  -0.045  -9.203  -2.777
  434   1HD2  LEU  57          HD21      LEU  57   1.242 -10.569  -3.704
  435   2HD2  LEU  57          HD22      LEU  57   2.228  -9.469  -4.668
  436   3HD2  LEU  57          HD23      LEU  57   1.409 -10.826  -5.441
  437    H    GLN  58           HN       GLN  58  -2.600  -9.618  -8.760
  438    HA   GLN  58           HA       GLN  58  -0.375  -8.049  -9.748
  439   1HB   GLN  58          HB2       GLN  58  -1.255  -8.793 -12.017
  440   2HB   GLN  58          HB1       GLN  58  -0.673 -10.061 -10.950
  441   1HG   GLN  58          HG2       GLN  58  -2.909 -10.690 -10.379
  442   2HG   GLN  58          HG1       GLN  58  -3.569  -9.317 -11.266
  443   1HE2  GLN  58          HE21      GLN  58  -1.853 -12.362 -11.588
  444   2HE2  GLN  58          HE22      GLN  58  -2.312 -12.663 -13.226
  445    H    GLU  59           HN       GLU  59  -3.914  -8.014 -10.050
  446    HA   GLU  59           HA       GLU  59  -3.822  -5.391 -11.292
  447   1HB   GLU  59          HB2       GLU  59  -5.872  -7.488 -10.874
  448   2HB   GLU  59          HB1       GLU  59  -6.460  -5.831 -10.870
  449   1HG   GLU  59          HG2       GLU  59  -4.637  -6.550 -13.069
  450   2HG   GLU  59          HG1       GLU  59  -6.219  -7.325 -13.081
  451    H    MET  60           HN       MET  60  -4.514  -6.855  -8.204
  452    HA   MET  60           HA       MET  60  -5.684  -4.491  -7.071
  453   1HB   MET  60          HB2       MET  60  -6.024  -6.957  -6.342
  454   2HB   MET  60          HB1       MET  60  -4.523  -6.738  -5.453
  455   1HG   MET  60          HG2       MET  60  -5.901  -6.107  -3.803
  456   2HG   MET  60          HG1       MET  60  -5.864  -4.556  -4.643
  457   1HE   MET  60          HE1       MET  60  -8.702  -4.197  -3.255
  458   2HE   MET  60          HE2       MET  60  -9.302  -3.731  -4.847
  459   3HE   MET  60          HE3       MET  60  -7.631  -3.386  -4.397
  460    H    MET  61           HN       MET  61  -2.463  -5.871  -7.307
  461    HA   MET  61           HA       MET  61  -1.204  -4.449  -5.256
  462   1HB   MET  61          HB2       MET  61   0.120  -6.084  -6.261
  463   2HB   MET  61          HB1       MET  61  -0.243  -5.527  -7.887
  464   1HG   MET  61          HG2       MET  61   1.120  -3.455  -6.463
  465   2HG   MET  61          HG1       MET  61   2.013  -4.964  -6.299
  466   1HE   MET  61          HE1       MET  61   1.964  -6.302  -9.705
  467   2HE   MET  61          HE2       MET  61   2.437  -6.482  -8.017
  468   3HE   MET  61          HE3       MET  61   3.582  -5.830  -9.188
  469    H    LYS  62           HN       LYS  62  -1.900  -3.497  -8.597
  470    HA   LYS  62           HA       LYS  62  -0.571  -1.024  -8.553
  471   1HB   LYS  62          HB2       LYS  62  -2.068  -2.476 -10.398
  472   2HB   LYS  62          HB1       LYS  62  -2.983  -0.990 -10.176
  473   1HG   LYS  62          HG2       LYS  62  -0.267  -0.263 -10.424
  474   2HG   LYS  62          HG1       LYS  62  -0.615  -1.433 -11.697
  475   1HD   LYS  62          HD2       LYS  62  -1.133   0.644 -12.651
  476   2HD   LYS  62          HD1       LYS  62  -2.695  -0.024 -12.174
  477   1HE   LYS  62          HE2       LYS  62  -2.666   2.267 -11.521
  478   2HE   LYS  62          HE1       LYS  62  -2.519   1.295 -10.058
  479   1HZ   LYS  62          HZ1       LYS  62  -0.815   2.667  -9.638
  480   2HZ   LYS  62          HZ2       LYS  62  -0.628   3.128 -11.255
  481   3HZ   LYS  62          HZ3       LYS  62   0.049   1.679 -10.707
  482    H    GLU  63           HN       GLU  63  -3.495  -2.034  -7.059
  483    HA   GLU  63           HA       GLU  63  -4.727   0.537  -6.907
  484   1HB   GLU  63          HB2       GLU  63  -5.841  -1.772  -6.694
  485   2HB   GLU  63          HB1       GLU  63  -5.288  -1.738  -5.026
  486   1HG   GLU  63          HG2       GLU  63  -7.053  -0.542  -4.458
  487   2HG   GLU  63          HG1       GLU  63  -6.547   0.738  -5.560
  488    H    PHE  64           HN       PHE  64  -2.403  -1.199  -4.952
  489    HA   PHE  64           HA       PHE  64  -2.685   0.671  -2.755
  490   1HB   PHE  64          HB2       PHE  64  -1.260  -0.732  -1.516
  491   2HB   PHE  64          HB1       PHE  64  -2.198  -1.841  -2.508
  492    HD1  PHE  64           HD1      PHE  64  -1.114  -3.516  -3.587
  493    HD2  PHE  64           HD2      PHE  64   1.051   0.011  -2.601
  494    HE1  PHE  64           HE1      PHE  64   0.951  -4.556  -4.420
  495    HE2  PHE  64           HE2      PHE  64   3.120  -1.022  -3.438
  496    HZ   PHE  64           HZ       PHE  64   3.070  -3.308  -4.349
  497    H    GLN  65           HN       GLN  65  -0.643   0.134  -5.503
  498    HA   GLN  65           HA       GLN  65   1.419   1.948  -4.632
  499   1HB   GLN  65          HB2       GLN  65   0.891   0.362  -7.117
  500   2HB   GLN  65          HB1       GLN  65   2.058   1.677  -7.164
  501   1HG   GLN  65          HG2       GLN  65   2.886   0.374  -4.955
  502   2HG   GLN  65          HG1       GLN  65   2.228  -0.966  -5.892
  503   1HE2  GLN  65          HE21      GLN  65   4.507   1.711  -5.972
  504   2HE2  GLN  65          HE22      GLN  65   5.565   1.018  -7.149
  505    H    GLN  66           HN       GLN  66  -1.427   2.059  -6.690
  506    HA   GLN  66           HA       GLN  66  -0.961   4.450  -8.040
  507   1HB   GLN  66          HB2       GLN  66  -2.861   2.822  -8.417
  508   2HB   GLN  66          HB1       GLN  66  -3.660   3.550  -7.030
  509   1HG   GLN  66          HG2       GLN  66  -2.786   5.126  -9.434
  510   2HG   GLN  66          HG1       GLN  66  -4.378   4.382  -9.291
  511   1HE2  GLN  66          HE21      GLN  66  -3.003   7.224  -9.152
  512   2HE2  GLN  66          HE22      GLN  66  -3.911   7.994  -7.902
  513    H    VAL  67           HN       VAL  67  -2.117   3.864  -4.780
  514    HA   VAL  67           HA       VAL  67  -3.074   6.396  -4.116
  515    HB   VAL  67           HB       VAL  67  -1.779   4.202  -2.509
  516   1HG1  VAL  67          HG11      VAL  67  -1.240   5.613  -0.876
  517   2HG1  VAL  67          HG12      VAL  67  -2.968   5.866  -0.637
  518   3HG1  VAL  67          HG13      VAL  67  -2.050   6.962  -1.668
  519   1HG2  VAL  67          HG21      VAL  67  -3.855   3.432  -2.537
  520   2HG2  VAL  67          HG22      VAL  67  -4.437   4.892  -3.337
  521   3HG2  VAL  67          HG23      VAL  67  -4.346   4.828  -1.577
  522    H    LEU  68           HN       LEU  68   0.216   5.084  -3.816
  523    HA   LEU  68           HA       LEU  68   1.398   7.457  -2.817
  524   1HB   LEU  68          HB2       LEU  68   2.327   4.872  -3.894
  525   2HB   LEU  68          HB1       LEU  68   3.467   6.205  -3.985
  526    HG   LEU  68           HG       LEU  68   2.661   6.500  -1.439
  527   1HD1  LEU  68          HD11      LEU  68   2.923   3.768  -0.928
  528   2HD1  LEU  68          HD12      LEU  68   1.717   3.889  -2.207
  529   3HD1  LEU  68          HD13      LEU  68   1.490   4.767  -0.694
  530   1HD2  LEU  68          HD21      LEU  68   4.886   6.337  -1.389
  531   2HD2  LEU  68          HD22      LEU  68   4.917   5.302  -2.815
  532   3HD2  LEU  68          HD23      LEU  68   4.674   4.595  -1.218
  533    H    ASP  69           HN       ASP  69   0.141   6.742  -5.878
  534    HA   ASP  69           HA       ASP  69   1.959   8.218  -7.501
  535   1HB   ASP  69          HB2       ASP  69   0.007   6.512  -8.128
  536   2HB   ASP  69          HB1       ASP  69  -0.929   7.998  -8.239
  537    H    GLU  70           HN       GLU  70  -1.333   8.963  -6.339
  538    HA   GLU  70           HA       GLU  70  -1.504  11.644  -7.004
  539   1HB   GLU  70          HB2       GLU  70  -3.099   9.935  -5.649
  540   2HB   GLU  70          HB1       GLU  70  -2.457  10.847  -4.287
  541   1HG   GLU  70          HG2       GLU  70  -4.143  12.225  -4.650
  542   2HG   GLU  70          HG1       GLU  70  -3.182  12.832  -5.998
  543    H    LEU  71           HN       LEU  71  -0.060  10.065  -4.288
  544    HA   LEU  71           HA       LEU  71   0.729  12.328  -2.803
  545   1HB   LEU  71          HB2       LEU  71   0.420  10.341  -1.656
  546   2HB   LEU  71          HB1       LEU  71   1.308   9.409  -2.836
  547    HG   LEU  71           HG       LEU  71   3.261  11.042  -1.825
  548   1HD1  LEU  71          HD11      LEU  71   2.565  10.236   0.731
  549   2HD1  LEU  71          HD12      LEU  71   1.084  10.922   0.076
  550   3HD1  LEU  71          HD13      LEU  71   2.556  11.888   0.114
  551   1HD2  LEU  71          HD21      LEU  71   3.708   8.918  -0.393
  552   2HD2  LEU  71          HD22      LEU  71   3.747   8.805  -2.154
  553   3HD2  LEU  71          HD23      LEU  71   2.327   8.265  -1.266
  554    H    ASN  72           HN       ASN  72   2.844   9.942  -4.386
  555    HA   ASN  72           HA       ASN  72   5.202  11.326  -4.246
  556   1HB   ASN  72          HB2       ASN  72   4.173   9.319  -6.224
  557   2HB   ASN  72          HB1       ASN  72   5.766  10.041  -6.438
  558   1HD2  ASN  72          HD21      ASN  72   7.122  10.007  -4.381
  559   2HD2  ASN  72          HD22      ASN  72   7.124   8.519  -3.502
  560    H    ASN  73           HN       ASN  73   2.578  11.845  -6.498
  561    HA   ASN  73           HA       ASN  73   4.182  13.601  -8.160
  562   1HB   ASN  73          HB2       ASN  73   1.643  12.225  -8.413
  563   2HB   ASN  73          HB1       ASN  73   1.508  13.909  -8.904
  564   1HD2  ASN  73          HD21      ASN  73   3.507  14.616 -10.258
  565   2HD2  ASN  73          HD22      ASN  73   3.912  13.548 -11.554
  566    H    HIS  74           HN       HIS  74   3.106  14.077  -5.195
  567    HA   HIS  74           HA       HIS  74   2.790  16.932  -5.618
  568   1HB   HIS  74          HB2       HIS  74   0.612  15.214  -4.449
  569   2HB   HIS  74          HB1       HIS  74   0.734  16.937  -4.106
  570    HD1  HIS  74           HD1      HIS  74   0.679  18.506  -6.344
  571    HD2  HIS  74           HD2      HIS  74  -0.768  14.628  -6.711
  572    HE1  HIS  74           HE1      HIS  74  -0.718  18.504  -8.435
  573    HE2  HIS  74           HE2      HIS  74  -1.651  16.170  -8.590
  574    H    LEU  75           HN       LEU  75   4.721  15.108  -4.321
  575    HA   LEU  75           HA       LEU  75   4.602  15.128  -1.545
  576   1HB   LEU  75          HB2       LEU  75   6.625  14.810  -3.565
  577   2HB   LEU  75          HB1       LEU  75   7.256  15.808  -2.271
  578    HG   LEU  75           HG       LEU  75   7.882  13.702  -1.593
  579   1HD1  LEU  75          HD11      LEU  75   5.204  13.546  -0.312
  580   2HD1  LEU  75          HD12      LEU  75   6.214  14.959   0.005
  581   3HD1  LEU  75          HD13      LEU  75   6.809  13.344   0.393
  582   1HD2  LEU  75          HD21      LEU  75   6.618  12.574  -3.431
  583   2HD2  LEU  75          HD22      LEU  75   5.207  12.568  -2.371
  584   3HD2  LEU  75          HD23      LEU  75   6.663  11.687  -1.909
  585    H    GLN  76           HN       GLN  76   3.585  17.021  -0.855
  586    HA   GLN  76           HA       GLN  76   4.403  19.610  -1.572
  587   1HB   GLN  76          HB2       GLN  76   2.549  18.411   0.373
  588   2HB   GLN  76          HB1       GLN  76   3.197  19.972   0.857
  589   1HG   GLN  76          HG2       GLN  76   1.998  19.547  -1.854
  590   2HG   GLN  76          HG1       GLN  76   1.004  19.928  -0.448
  591   1HE2  GLN  76          HE21      GLN  76   3.317  21.105  -2.728
  592   2HE2  GLN  76          HE22      GLN  76   3.235  22.770  -2.275
  593    H    GLY  77           HN       GLY  77   6.785  19.047  -1.261
  594   1HA   GLY  77          HA2       GLY  77   8.758  19.384  -0.137
  595   2HA   GLY  77          HA1       GLY  77   7.854  20.531   0.840
  596    H    GLY  78           HN       GLY  78   7.580  16.995   0.542
  597   1HA   GLY  78          HA2       GLY  78   8.613  16.662   3.244
  598   2HA   GLY  78          HA1       GLY  78   6.921  16.253   3.013
  599    H    LYS  79           HN       LYS  79   9.579  15.750   0.745
  600    HA   LYS  79           HA       LYS  79   8.896  13.245  -0.103
  601   1HB   LYS  79          HB2       LYS  79  11.099  14.957  -0.406
  602   2HB   LYS  79          HB1       LYS  79  11.773  13.418   0.111
  603   1HG   LYS  79          HG2       LYS  79   9.767  13.477  -2.094
  604   2HG   LYS  79          HG1       LYS  79  11.441  13.928  -2.417
  605   1HD   LYS  79          HD2       LYS  79  11.838  11.747  -2.686
  606   2HD   LYS  79          HD1       LYS  79  11.666  11.604  -0.936
  607   1HE   LYS  79          HE2       LYS  79   9.479  10.845  -1.084
  608   2HE   LYS  79          HE1       LYS  79   9.253  11.513  -2.700
  609   1HZ   LYS  79          HZ1       LYS  79  10.407   8.976  -1.888
  610   2HZ   LYS  79          HZ2       LYS  79  11.196   9.760  -3.161
  611   3HZ   LYS  79          HZ3       LYS  79   9.554   9.378  -3.292
  612    H    HIS  80           HN       HIS  80  10.803  14.073   2.749
  613    HA   HIS  80           HA       HIS  80  11.798  11.635   3.491
  614   1HB   HIS  80          HB2       HIS  80  11.991  13.939   4.655
  615   2HB   HIS  80          HB1       HIS  80  10.552  13.446   5.543
  616    HD1  HIS  80           HD1      HIS  80  13.999  11.992   4.812
  617    HD2  HIS  80           HD2      HIS  80  11.158  12.166   7.839
  618    HE1  HIS  80           HE1      HIS  80  15.029  10.796   6.768
  619    HE2  HIS  80           HE2      HIS  80  13.257  10.837   8.560
  620    H    THR  81           HN       THR  81   8.479  12.744   3.751
  621    HA   THR  81           HA       THR  81   7.568  10.641   5.430
  622    HB   THR  81           HB       THR  81   6.289  12.689   3.675
  623    HG1  THR  81           HG1      THR  81   5.284  13.198   5.642
  624   1HG2  THR  81          HG21      THR  81   5.004  10.137   4.377
  625   2HG2  THR  81          HG22      THR  81   4.611  11.314   3.114
  626   3HG2  THR  81          HG23      THR  81   4.087  11.597   4.777
  627    H    VAL  82           HN       VAL  82   6.661  11.180   2.052
  628    HA   VAL  82           HA       VAL  82   5.821   8.618   1.474
  629    HB   VAL  82           HB       VAL  82   7.245  10.420  -0.489
  630   1HG1  VAL  82          HG11      VAL  82   5.521   9.303  -2.034
  631   2HG1  VAL  82          HG12      VAL  82   5.347   8.107  -0.752
  632   3HG1  VAL  82          HG13      VAL  82   6.913   8.347  -1.526
  633   1HG2  VAL  82          HG21      VAL  82   4.441  10.459   0.572
  634   2HG2  VAL  82          HG22      VAL  82   4.870  11.180  -0.977
  635   3HG2  VAL  82          HG23      VAL  82   5.606  11.776   0.508
  636    H    HIS  83           HN       HIS  83   9.134   9.929   1.309
  637    HA   HIS  83           HA       HIS  83  10.403   7.845   0.024
  638   1HB   HIS  83          HB2       HIS  83  11.342  10.059   1.132
  639   2HB   HIS  83          HB1       HIS  83  11.693   8.979   2.478
  640    HD1  HIS  83           HD1      HIS  83  12.451   9.319  -1.224
  641    HD2  HIS  83           HD2      HIS  83  14.010   7.570   2.207
  642    HE1  HIS  83           HE1      HIS  83  14.688   8.393  -1.900
  643    HE2  HIS  83           HE2      HIS  83  15.650   7.414   0.214
  644    H    HIS  84           HN       HIS  84   9.372   8.104   3.376
  645    HA   HIS  84           HA       HIS  84  10.391   5.523   4.120
  646   1HB   HIS  84          HB2       HIS  84   8.589   7.523   5.480
  647   2HB   HIS  84          HB1       HIS  84   8.926   5.945   6.184
  648    HD1  HIS  84           HD1      HIS  84  11.627   7.813   4.398
  649    HD2  HIS  84           HD2      HIS  84  10.380   7.076   8.293
  650    HE1  HIS  84           HE1      HIS  84  13.513   8.595   5.866
  651    HE2  HIS  84           HE2      HIS  84  12.704   8.210   8.222
  652    H    ILE  85           HN       ILE  85   7.402   6.792   2.845
  653    HA   ILE  85           HA       ILE  85   5.961   4.355   3.429
  654    HB   ILE  85           HB       ILE  85   4.063   5.480   3.131
  655   1HG1  ILE  85          HG12      ILE  85   4.808   7.235   0.868
  656   2HG1  ILE  85          HG11      ILE  85   4.658   5.513   0.545
  657   1HG2  ILE  85          HG21      ILE  85   4.221   7.970   3.186
  658   2HG2  ILE  85          HG22      ILE  85   5.964   7.759   3.081
  659   3HG2  ILE  85          HG23      ILE  85   5.083   7.089   4.448
  660   1HD1  ILE  85          HD11      ILE  85   2.455   6.743   2.071
  661   2HD1  ILE  85          HD12      ILE  85   2.416   5.518   0.806
  662   3HD1  ILE  85          HD13      ILE  85   2.607   7.217   0.380
  663    H    GLU  86           HN       GLU  86   7.616   5.789   0.721
  664    HA   GLU  86           HA       GLU  86   6.577   3.915  -1.203
  665   1HB   GLU  86          HB2       GLU  86   8.524   4.793  -2.610
  666   2HB   GLU  86          HB1       GLU  86   7.289   5.954  -2.156
  667   1HG   GLU  86          HG2       GLU  86   8.789   7.252  -1.208
  668   2HG   GLU  86          HG1       GLU  86   9.336   5.937  -0.174
  669    H    GLN  87           HN       GLN  87   9.651   4.306   0.575
  670    HA   GLN  87           HA       GLN  87  10.934   2.029  -0.421
  671   1HB   GLN  87          HB2       GLN  87  11.245   3.810   1.879
  672   2HB   GLN  87          HB1       GLN  87  11.719   2.157   2.239
  673   1HG   GLN  87          HG2       GLN  87  13.643   3.362   1.517
  674   2HG   GLN  87          HG1       GLN  87  13.206   2.203   0.262
  675   1HE2  GLN  87          HE21      GLN  87  12.190   2.981  -1.642
  676   2HE2  GLN  87          HE22      GLN  87  12.395   4.620  -2.147
  677    H    ASN  88           HN       ASN  88   8.406   2.467   1.908
  678    HA   ASN  88           HA       ASN  88   8.482  -0.249   2.878
  679   1HB   ASN  88          HB2       ASN  88   6.965   2.221   3.496
  680   2HB   ASN  88          HB1       ASN  88   6.116   0.703   3.775
  681   1HD2  ASN  88          HD21      ASN  88   9.328   2.113   4.324
  682   2HD2  ASN  88          HD22      ASN  88   9.507   1.503   5.930
  683    H    ILE  89           HN       ILE  89   6.035   1.717   1.163
  684    HA   ILE  89           HA       ILE  89   4.384  -0.440   0.510
  685    HB   ILE  89           HB       ILE  89   4.406   2.373  -0.058
  686   1HG1  ILE  89          HG12      ILE  89   1.963   0.958  -0.679
  687   2HG1  ILE  89          HG11      ILE  89   2.695   0.354   0.808
  688   1HG2  ILE  89          HG21      ILE  89   4.907   1.855  -2.360
  689   2HG2  ILE  89          HG22      ILE  89   3.209   2.313  -2.227
  690   3HG2  ILE  89          HG23      ILE  89   3.652   0.615  -2.390
  691   1HD1  ILE  89          HD11      ILE  89   2.837   3.145   0.996
  692   2HD1  ILE  89          HD12      ILE  89   1.754   2.062   1.871
  693   3HD1  ILE  89          HD13      ILE  89   1.233   2.791   0.353
  694    H    LYS  90           HN       LYS  90   6.846   1.186  -1.516
  695    HA   LYS  90           HA       LYS  90   6.420  -0.493  -3.714
  696   1HB   LYS  90          HB2       LYS  90   8.705   1.249  -2.869
  697   2HB   LYS  90          HB1       LYS  90   8.936   0.130  -4.201
  698   1HG   LYS  90          HG2       LYS  90   8.280   1.976  -5.353
  699   2HG   LYS  90          HG1       LYS  90   6.707   1.226  -5.071
  700   1HD   LYS  90          HD2       LYS  90   6.043   2.853  -3.652
  701   2HD   LYS  90          HD1       LYS  90   7.651   3.040  -2.950
  702   1HE   LYS  90          HE2       LYS  90   6.864   5.034  -4.209
  703   2HE   LYS  90          HE1       LYS  90   8.378   4.363  -4.811
  704   1HZ   LYS  90          HZ1       LYS  90   6.774   4.968  -6.574
  705   2HZ   LYS  90          HZ2       LYS  90   5.718   3.781  -5.993
  706   3HZ   LYS  90          HZ3       LYS  90   7.228   3.338  -6.616
  707    H    GLU  91           HN       GLU  91   8.182  -0.910  -0.769
  708    HA   GLU  91           HA       GLU  91   9.433  -3.370  -1.706
  709   1HB   GLU  91          HB2       GLU  91  10.643  -1.736  -0.209
  710   2HB   GLU  91          HB1       GLU  91   9.522  -2.182   1.070
  711   1HG   GLU  91          HG2       GLU  91  11.019  -3.728   1.621
  712   2HG   GLU  91          HG1       GLU  91  10.442  -4.614   0.210
  713    H    ILE  92           HN       ILE  92   6.448  -2.513  -0.721
  714    HA   ILE  92           HA       ILE  92   5.874  -4.641   1.104
  715    HB   ILE  92           HB       ILE  92   4.533  -2.277   0.215
  716   1HG1  ILE  92          HG12      ILE  92   3.274  -2.588   2.265
  717   2HG1  ILE  92          HG11      ILE  92   3.778  -4.272   2.351
  718   1HG2  ILE  92          HG21      ILE  92   2.809  -4.739   0.108
  719   2HG2  ILE  92          HG22      ILE  92   3.248  -3.732  -1.271
  720   3HG2  ILE  92          HG23      ILE  92   2.247  -3.070   0.021
  721   1HD1  ILE  92          HD11      ILE  92   6.179  -3.141   2.306
  722   2HD1  ILE  92          HD12      ILE  92   5.269  -3.386   3.797
  723   3HD1  ILE  92          HD13      ILE  92   5.265  -1.807   3.009
  724    H    PHE  93           HN       PHE  93   5.289  -3.876  -2.288
  725    HA   PHE  93           HA       PHE  93   3.810  -6.094  -3.046
  726   1HB   PHE  93          HB2       PHE  93   4.171  -5.370  -5.186
  727   2HB   PHE  93          HB1       PHE  93   4.812  -3.951  -4.360
  728    HD1  PHE  93           HD1      PHE  93   7.374  -4.528  -3.496
  729    HD2  PHE  93           HD2      PHE  93   5.447  -5.968  -7.001
  730    HE1  PHE  93           HE1      PHE  93   9.560  -4.930  -4.523
  731    HE2  PHE  93           HE2      PHE  93   7.637  -6.363  -8.048
  732    HZ   PHE  93           HZ       PHE  93   9.705  -5.841  -6.811
  733    H    HIS  94           HN       HIS  94   7.165  -5.802  -2.208
  734    HA   HIS  94           HA       HIS  94   8.222  -8.064  -3.472
  735   1HB   HIS  94          HB2       HIS  94   9.181  -6.093  -1.763
  736   2HB   HIS  94          HB1       HIS  94   9.370  -7.576  -0.834
  737    HD1  HIS  94           HD1      HIS  94  10.699  -9.549  -2.218
  738    HD2  HIS  94           HD2      HIS  94  11.202  -5.630  -3.503
  739    HE1  HIS  94           HE1      HIS  94  12.788  -9.563  -3.617
  740    HE2  HIS  94           HE2      HIS  94  13.025  -7.198  -4.454
  741    H    HIS  95           HN       HIS  95   7.339  -7.757  -0.040
  742    HA   HIS  95           HA       HIS  95   7.327 -10.553   0.418
  743   1HB   HIS  95          HB2       HIS  95   6.265  -8.187   1.943
  744   2HB   HIS  95          HB1       HIS  95   5.959  -9.832   2.494
  745    HD1  HIS  95           HD1      HIS  95   7.656 -10.722   4.052
  746    HD2  HIS  95           HD2      HIS  95   9.211  -7.730   1.623
  747    HE1  HIS  95           HE1      HIS  95  10.017 -10.373   4.842
  748    HE2  HIS  95           HE2      HIS  95  10.968  -8.627   3.295
  749    H    LEU  96           HN       LEU  96   5.199  -8.582  -1.284
  750    HA   LEU  96           HA       LEU  96   2.819 -10.129  -0.635
  751   1HB   LEU  96          HB2       LEU  96   3.354  -7.796  -2.458
  752   2HB   LEU  96          HB1       LEU  96   1.805  -8.619  -2.416
  753    HG   LEU  96           HG       LEU  96   3.129  -7.108  -0.185
  754   1HD1  LEU  96          HD11      LEU  96   2.088  -5.648  -1.766
  755   2HD1  LEU  96          HD12      LEU  96   1.041  -5.743  -0.349
  756   3HD1  LEU  96          HD13      LEU  96   0.635  -6.646  -1.808
  757   1HD2  LEU  96          HD21      LEU  96   0.565  -8.688  -0.131
  758   2HD2  LEU  96          HD22      LEU  96   1.123  -7.602   1.144
  759   3HD2  LEU  96          HD23      LEU  96   2.043  -9.056   0.759
  760    H    GLU  97           HN       GLU  97   4.627  -9.320  -3.592
  761    HA   GLU  97           HA       GLU  97   3.410 -11.398  -5.114
  762   1HB   GLU  97          HB2       GLU  97   5.312  -9.253  -5.565
  763   2HB   GLU  97          HB1       GLU  97   5.825 -10.732  -6.364
  764   1HG   GLU  97          HG2       GLU  97   3.062  -9.600  -6.664
  765   2HG   GLU  97          HG1       GLU  97   4.403  -9.151  -7.717
  766    H    GLU  98           HN       GLU  98   5.767 -11.392  -2.710
  767    HA   GLU  98           HA       GLU  98   7.207 -13.705  -3.765
  768   1HB   GLU  98          HB2       GLU  98   7.538 -11.987  -1.318
  769   2HB   GLU  98          HB1       GLU  98   8.392 -13.514  -1.484
  770   1HG   GLU  98          HG2       GLU  98   8.588 -11.623  -3.746
  771   2HG   GLU  98          HG1       GLU  98   9.421 -11.186  -2.256
  772    H    LEU  99           HN       LEU  99   4.450 -13.083  -1.917
  773    HA   LEU  99           HA       LEU  99   4.613 -15.495  -0.319
  774   1HB   LEU  99          HB2       LEU  99   3.601 -13.496   0.635
  775   2HB   LEU  99          HB1       LEU  99   2.414 -13.455  -0.655
  776    HG   LEU  99           HG       LEU  99   1.922 -15.915   0.319
  777   1HD1  LEU  99          HD11      LEU  99   2.638 -16.283   2.390
  778   2HD1  LEU  99          HD12      LEU  99   2.077 -14.703   2.930
  779   3HD1  LEU  99          HD13      LEU  99   3.679 -14.870   2.211
  780   1HD2  LEU  99          HD21      LEU  99   0.183 -14.367  -0.006
  781   2HD2  LEU  99          HD22      LEU  99   0.852 -13.245   1.179
  782   3HD2  LEU  99          HD23      LEU  99   0.139 -14.768   1.711
  783    H    VAL 100           HN       VAL 100   2.364 -14.218  -2.780
  784    HA   VAL 100           HA       VAL 100   0.946 -16.621  -3.131
  785    HB   VAL 100           HB       VAL 100   1.317 -14.408  -5.154
  786   1HG1  VAL 100          HG11      VAL 100  -0.916 -16.415  -4.863
  787   2HG1  VAL 100          HG12      VAL 100   0.381 -16.511  -6.054
  788   3HG1  VAL 100          HG13      VAL 100  -0.767 -15.173  -6.106
  789   1HG2  VAL 100          HG21      VAL 100  -1.056 -13.849  -4.139
  790   2HG2  VAL 100          HG22      VAL 100   0.426 -13.235  -3.404
  791   3HG2  VAL 100          HG23      VAL 100  -0.377 -14.649  -2.720
  792    H    HIS 101           HN       HIS 101   3.663 -15.230  -4.950
  793    HA   HIS 101           HA       HIS 101   3.832 -17.207  -6.923
  794   1HB   HIS 101          HB2       HIS 101   5.075 -14.895  -6.621
  795   2HB   HIS 101          HB1       HIS 101   6.320 -15.909  -5.899
  796    HD1  HIS 101           HD1      HIS 101   5.014 -14.779  -9.116
  797    HD2  HIS 101           HD2      HIS 101   7.351 -17.922  -7.732
  798    HE1  HIS 101           HE1      HIS 101   6.147 -15.722 -11.154
  799    HE2  HIS 101           HE2      HIS 101   7.630 -17.560 -10.277
  800    H    ARG 102           HN       ARG 102   4.958 -17.147  -3.624
  801    HA   ARG 102           HA       ARG 102   6.424 -19.651  -4.006
  802   1HB   ARG 102          HB2       ARG 102   7.053 -17.451  -2.535
  803   2HB   ARG 102          HB1       ARG 102   6.298 -18.461  -1.309
  804   1HG   ARG 102          HG2       ARG 102   8.022 -19.887  -1.244
  805   2HG   ARG 102          HG1       ARG 102   8.239 -19.862  -2.995
  806   1HD   ARG 102          HD2       ARG 102   9.798 -18.246  -2.904
  807   2HD   ARG 102          HD1       ARG 102   8.944 -17.358  -1.643
  808    HE   ARG 102           HE       ARG 102  10.265 -18.383  -0.089
  809   1HH1  ARG 102          HH11      ARG 102  10.435 -20.202  -3.062
  810   2HH1  ARG 102          HH12      ARG 102  11.679 -21.261  -2.490
  811   1HH2  ARG 102          HH21      ARG 102  11.902 -19.775   0.666
  812   2HH2  ARG 102          HH22      ARG 102  12.512 -21.020  -0.373
  Start of MODEL   13
    1   1H    MET   1           HT1      MET   1  -1.128 -22.031   6.340
    2   2H    MET   1           HT2      MET   1  -0.686 -22.687   4.817
    3   3H    MET   1           HT3      MET   1  -2.196 -23.094   5.523
    4    HA   MET   1           HA       MET   1  -2.240 -21.446   3.690
    5   1HB   MET   1          HB2       MET   1  -3.427 -21.235   6.409
    6   2HB   MET   1          HB1       MET   1  -3.680 -19.879   5.319
    7   1HG   MET   1          HG2       MET   1  -4.319 -21.918   3.688
    8   2HG   MET   1          HG1       MET   1  -4.779 -22.605   5.244
    9   1HE   MET   1          HE1       MET   1  -6.726 -22.674   3.415
   10   2HE   MET   1          HE2       MET   1  -6.942 -21.197   2.476
   11   3HE   MET   1          HE3       MET   1  -8.122 -21.638   3.710
   12    H    TYR   2           HN       TYR   2  -1.652 -19.462   2.943
   13    HA   TYR   2           HA       TYR   2   0.413 -18.062   4.471
   14   1HB   TYR   2          HB2       TYR   2  -0.417 -17.836   1.569
   15   2HB   TYR   2          HB1       TYR   2   0.882 -16.911   2.314
   16    HD1  TYR   2           HD1      TYR   2   3.004 -17.676   1.865
   17    HD2  TYR   2           HD2      TYR   2  -0.163 -20.505   2.125
   18    HE1  TYR   2           HE1      TYR   2   4.590 -19.489   1.371
   19    HE2  TYR   2           HE2      TYR   2   1.414 -22.325   1.629
   20    HH   TYR   2           HH       TYR   2   4.360 -22.363   2.011
   21    H    GLY   3           HN       GLY   3  -0.834 -16.898   5.950
   22   1HA   GLY   3          HA2       GLY   3  -2.367 -14.688   4.744
   23   2HA   GLY   3          HA1       GLY   3  -2.997 -15.569   6.125
   24    H    LYS   4           HN       LYS   4   0.311 -15.374   6.459
   25    HA   LYS   4           HA       LYS   4   0.044 -13.348   8.505
   26   1HB   LYS   4          HB2       LYS   4   1.440 -15.450   8.767
   27   2HB   LYS   4          HB1       LYS   4   2.569 -14.744   7.614
   28   1HG   LYS   4          HG2       LYS   4   3.432 -14.313   9.769
   29   2HG   LYS   4          HG1       LYS   4   2.783 -12.787   9.164
   30   1HD   LYS   4          HD2       LYS   4   0.665 -13.327  10.430
   31   2HD   LYS   4          HD1       LYS   4   1.555 -14.649  11.190
   32   1HE   LYS   4          HE2       LYS   4   2.511 -11.796  11.239
   33   2HE   LYS   4          HE1       LYS   4   1.450 -12.467  12.477
   34   1HZ   LYS   4          HZ1       LYS   4   3.261 -14.282  12.624
   35   2HZ   LYS   4          HZ2       LYS   4   3.530 -12.789  13.371
   36   3HZ   LYS   4          HZ3       LYS   4   4.254 -13.131  11.882
   37    H    LEU   5           HN       LEU   5   1.068 -13.502   5.233
   38    HA   LEU   5           HA       LEU   5   2.904 -11.438   5.111
   39   1HB   LEU   5          HB2       LEU   5   1.655 -12.960   3.258
   40   2HB   LEU   5          HB1       LEU   5   0.821 -11.438   3.011
   41    HG   LEU   5           HG       LEU   5   2.681 -11.569   1.487
   42   1HD1  LEU   5          HD11      LEU   5   3.683  -9.487   1.945
   43   2HD1  LEU   5          HD12      LEU   5   3.529  -9.710   3.690
   44   3HD1  LEU   5          HD13      LEU   5   2.094  -9.413   2.708
   45   1HD2  LEU   5          HD21      LEU   5   4.883 -11.416   3.325
   46   2HD2  LEU   5          HD22      LEU   5   4.610 -12.553   2.006
   47   3HD2  LEU   5          HD23      LEU   5   3.965 -12.893   3.611
   48    H    ASN   6           HN       ASN   6  -0.432 -11.399   5.929
   49    HA   ASN   6           HA       ASN   6  -1.078  -8.755   5.331
   50   1HB   ASN   6          HB2       ASN   6  -2.491 -10.814   6.264
   51   2HB   ASN   6          HB1       ASN   6  -2.227  -9.942   7.770
   52   1HD2  ASN   6          HD21      ASN   6  -4.030  -8.904   8.231
   53   2HD2  ASN   6          HD22      ASN   6  -4.942  -7.927   7.138
   54    H    ASP   7           HN       ASP   7   0.423 -10.221   8.166
   55    HA   ASP   7           HA       ASP   7   0.393  -8.090   9.923
   56   1HB   ASP   7          HB2       ASP   7   1.599 -10.568   9.882
   57   2HB   ASP   7          HB1       ASP   7   2.981  -9.478   9.848
   58    H    LEU   8           HN       LEU   8   2.260  -8.581   7.043
   59    HA   LEU   8           HA       LEU   8   3.987  -6.305   7.526
   60   1HB   LEU   8          HB2       LEU   8   4.891  -8.250   6.365
   61   2HB   LEU   8          HB1       LEU   8   3.657  -8.113   5.128
   62    HG   LEU   8           HG       LEU   8   5.959  -7.288   4.501
   63   1HD1  LEU   8          HD11      LEU   8   3.458  -6.379   3.783
   64   2HD1  LEU   8          HD12      LEU   8   4.971  -6.073   2.930
   65   3HD1  LEU   8          HD13      LEU   8   4.369  -4.903   4.103
   66   1HD2  LEU   8          HD21      LEU   8   5.213  -5.115   6.446
   67   2HD2  LEU   8          HD22      LEU   8   6.494  -4.972   5.242
   68   3HD2  LEU   8          HD23      LEU   8   6.615  -6.184   6.517
   69    H    LEU   9           HN       LEU   9   1.019  -7.094   5.876
   70    HA   LEU   9           HA       LEU   9   0.995  -4.837   4.143
   71   1HB   LEU   9          HB2       LEU   9  -0.974  -6.881   5.022
   72   2HB   LEU   9          HB1       LEU   9  -1.601  -5.404   4.321
   73    HG   LEU   9           HG       LEU   9   0.395  -7.217   2.965
   74   1HD1  LEU   9          HD11      LEU   9  -2.129  -7.935   3.419
   75   2HD1  LEU   9          HD12      LEU   9  -1.287  -8.315   1.917
   76   3HD1  LEU   9          HD13      LEU   9  -2.383  -6.936   1.988
   77   1HD2  LEU   9          HD21      LEU   9   0.692  -5.110   2.033
   78   2HD2  LEU   9          HD22      LEU   9  -1.017  -4.695   2.179
   79   3HD2  LEU   9          HD23      LEU   9  -0.494  -5.858   0.961
   80    H    GLU  10           HN       GLU  10   0.566  -5.149   7.495
   81    HA   GLU  10           HA       GLU  10  -1.352  -3.058   7.871
   82   1HB   GLU  10          HB2       GLU  10   0.546  -4.467   9.744
   83   2HB   GLU  10          HB1       GLU  10  -0.541  -3.191  10.275
   84   1HG   GLU  10          HG2       GLU  10  -1.801  -5.368   8.756
   85   2HG   GLU  10          HG1       GLU  10  -1.135  -5.818  10.324
   86    H    ASP  11           HN       ASP  11   2.178  -3.270   8.040
   87    HA   ASP  11           HA       ASP  11   2.723  -0.731   9.036
   88   1HB   ASP  11          HB2       ASP  11   4.313  -2.724   8.533
   89   2HB   ASP  11          HB1       ASP  11   4.458  -1.999   6.935
   90    H    LEU  12           HN       LEU  12   2.391  -1.767   5.656
   91    HA   LEU  12           HA       LEU  12   2.952   0.633   4.414
   92   1HB   LEU  12          HB2       LEU  12   2.629  -0.648   2.631
   93   2HB   LEU  12          HB1       LEU  12   1.993  -1.907   3.661
   94    HG   LEU  12           HG       LEU  12   0.009   0.142   2.911
   95   1HD1  LEU  12          HD11      LEU  12   0.656   0.258   0.773
   96   2HD1  LEU  12          HD12      LEU  12  -0.111  -1.324   0.656
   97   3HD1  LEU  12          HD13      LEU  12   1.635  -1.205   0.873
   98   1HD2  LEU  12          HD21      LEU  12  -1.124  -1.596   3.769
   99   2HD2  LEU  12          HD22      LEU  12   0.187  -2.732   3.450
  100   3HD2  LEU  12          HD23      LEU  12  -0.936  -2.299   2.162
  101    H    GLN  13           HN       GLN  13  -0.277  -0.652   5.184
  102    HA   GLN  13           HA       GLN  13  -1.754   1.564   4.447
  103   1HB   GLN  13          HB2       GLN  13  -2.534  -0.766   5.270
  104   2HB   GLN  13          HB1       GLN  13  -2.486  -0.053   6.876
  105   1HG   GLN  13          HG2       GLN  13  -3.909   1.813   5.514
  106   2HG   GLN  13          HG1       GLN  13  -4.402   0.330   4.696
  107   1HE2  GLN  13          HE21      GLN  13  -5.004  -1.485   6.205
  108   2HE2  GLN  13          HE22      GLN  13  -5.950  -1.066   7.588
  109    H    GLU  14           HN       GLU  14   0.026   0.973   7.417
  110    HA   GLU  14           HA       GLU  14  -0.978   3.325   8.742
  111   1HB   GLU  14          HB2       GLU  14   0.344   1.019   9.561
  112   2HB   GLU  14          HB1       GLU  14   1.550   2.283   9.760
  113   1HG   GLU  14          HG2       GLU  14   0.607   2.623  11.745
  114   2HG   GLU  14          HG1       GLU  14  -0.673   3.438  10.846
  115    H    VAL  15           HN       VAL  15   1.663   2.498   6.653
  116    HA   VAL  15           HA       VAL  15   3.286   4.750   7.211
  117    HB   VAL  15           HB       VAL  15   3.798   2.516   5.888
  118   1HG1  VAL  15          HG11      VAL  15   4.099   3.669   3.397
  119   2HG1  VAL  15          HG12      VAL  15   2.465   4.121   3.866
  120   3HG1  VAL  15          HG13      VAL  15   2.936   2.427   3.839
  121   1HG2  VAL  15          HG21      VAL  15   5.822   3.497   5.123
  122   2HG2  VAL  15          HG22      VAL  15   5.366   4.284   6.634
  123   3HG2  VAL  15          HG23      VAL  15   5.100   5.110   5.095
  124    H    LEU  16           HN       LEU  16   0.455   4.234   5.284
  125    HA   LEU  16           HA       LEU  16   0.689   6.426   3.543
  126   1HB   LEU  16          HB2       LEU  16  -1.636   4.846   4.579
  127   2HB   LEU  16          HB1       LEU  16  -1.911   6.279   3.609
  128    HG   LEU  16           HG       LEU  16  -2.017   4.509   2.080
  129   1HD1  LEU  16          HD11      LEU  16  -0.121   6.414   1.766
  130   2HD1  LEU  16          HD12      LEU  16  -0.549   5.225   0.538
  131   3HD1  LEU  16          HD13      LEU  16   0.843   4.950   1.585
  132   1HD2  LEU  16          HD21      LEU  16  -0.889   2.550   2.193
  133   2HD2  LEU  16          HD22      LEU  16  -0.759   3.028   3.885
  134   3HD2  LEU  16          HD23      LEU  16   0.590   3.307   2.787
  135    H    LYS  17           HN       LYS  17  -0.495   6.119   6.840
  136    HA   LYS  17           HA       LYS  17  -1.829   8.480   7.227
  137   1HB   LYS  17          HB2       LYS  17  -1.098   6.551   8.896
  138   2HB   LYS  17          HB1       LYS  17   0.176   7.696   9.295
  139   1HG   LYS  17          HG2       LYS  17  -1.372   8.344  10.817
  140   2HG   LYS  17          HG1       LYS  17  -1.883   9.355   9.462
  141   1HD   LYS  17          HD2       LYS  17  -3.056   6.694  10.270
  142   2HD   LYS  17          HD1       LYS  17  -3.812   8.279  10.453
  143   1HE   LYS  17          HE2       LYS  17  -3.878   8.551   8.041
  144   2HE   LYS  17          HE1       LYS  17  -3.045   7.013   7.823
  145   1HZ   LYS  17          HZ1       LYS  17  -4.910   5.844   8.225
  146   2HZ   LYS  17          HZ2       LYS  17  -5.686   7.269   7.747
  147   3HZ   LYS  17          HZ3       LYS  17  -5.489   6.924   9.391
  148    H    ASN  18           HN       ASN  18   1.639   7.934   7.087
  149    HA   ASN  18           HA       ASN  18   2.395  10.618   7.705
  150   1HB   ASN  18          HB2       ASN  18   3.721   8.146   6.916
  151   2HB   ASN  18          HB1       ASN  18   4.409   9.534   6.080
  152   1HD2  ASN  18          HD21      ASN  18   4.915  11.422   7.508
  153   2HD2  ASN  18          HD22      ASN  18   5.612  11.077   9.050
  154    H    LEU  19           HN       LEU  19   1.774   8.797   4.780
  155    HA   LEU  19           HA       LEU  19   2.535  10.666   2.866
  156   1HB   LEU  19          HB2       LEU  19   2.071   8.821   1.702
  157   2HB   LEU  19          HB1       LEU  19   1.082   8.182   2.991
  158    HG   LEU  19           HG       LEU  19  -0.167  10.245   1.261
  159   1HD1  LEU  19          HD11      LEU  19  -0.205   7.460   0.241
  160   2HD1  LEU  19          HD12      LEU  19   1.206   8.449  -0.120
  161   3HD1  LEU  19          HD13      LEU  19  -0.398   8.983  -0.619
  162   1HD2  LEU  19          HD21      LEU  19  -1.977   8.377   1.483
  163   2HD2  LEU  19          HD22      LEU  19  -1.637   9.463   2.829
  164   3HD2  LEU  19          HD23      LEU  19  -0.959   7.836   2.813
  165    H    HIS  20           HN       HIS  20  -0.482  10.321   4.660
  166    HA   HIS  20           HA       HIS  20  -2.131  12.052   3.276
  167   1HB   HIS  20          HB2       HIS  20  -1.892  11.431   6.211
  168   2HB   HIS  20          HB1       HIS  20  -3.093  12.568   5.618
  169    HD1  HIS  20           HD1      HIS  20  -5.222  11.617   4.734
  170    HD2  HIS  20           HD2      HIS  20  -2.295   8.723   5.264
  171    HE1  HIS  20           HE1      HIS  20  -6.392   9.415   4.418
  172    HE2  HIS  20           HE2      HIS  20  -4.579   7.681   4.649
  173    H    LYS  21           HN       LYS  21   0.471  12.796   5.506
  174    HA   LYS  21           HA       LYS  21  -0.141  15.643   5.402
  175   1HB   LYS  21          HB2       LYS  21   2.187  14.413   6.843
  176   2HB   LYS  21          HB1       LYS  21   1.336  15.911   7.203
  177   1HG   LYS  21          HG2       LYS  21   0.135  13.169   7.467
  178   2HG   LYS  21          HG1       LYS  21   0.868  14.074   8.794
  179   1HD   LYS  21          HD2       LYS  21  -1.356  14.630   9.056
  180   2HD   LYS  21          HD1       LYS  21  -0.792  15.955   8.035
  181   1HE   LYS  21          HE2       LYS  21  -1.894  15.166   6.170
  182   2HE   LYS  21          HE1       LYS  21  -1.852  13.499   6.734
  183   1HZ   LYS  21          HZ1       LYS  21  -3.771  13.733   7.839
  184   2HZ   LYS  21          HZ2       LYS  21  -4.021  15.054   6.813
  185   3HZ   LYS  21          HZ3       LYS  21  -3.414  15.299   8.373
  186    H    ASN  22           HN       ASN  22   1.471  13.652   3.359
  187    HA   ASN  22           HA       ASN  22   3.206  15.859   2.533
  188   1HB   ASN  22          HB2       ASN  22   4.233  13.648   3.820
  189   2HB   ASN  22          HB1       ASN  22   4.486  13.271   2.118
  190   1HD2  ASN  22          HD21      ASN  22   5.762  14.777   4.765
  191   2HD2  ASN  22          HD22      ASN  22   6.901  15.810   3.979
  192    H    TRP  23           HN       TRP  23   0.744  13.975   1.610
  193    HA   TRP  23           HA       TRP  23   1.712  13.252  -1.009
  194   1HB   TRP  23          HB2       TRP  23  -0.142  11.979  -1.181
  195   2HB   TRP  23          HB1       TRP  23  -0.292  12.262   0.542
  196    HD1  TRP  23           HD1      TRP  23  -2.564  13.085   1.257
  197    HE1  TRP  23           HE1      TRP  23  -4.557  14.257   0.163
  198    HE3  TRP  23           HE3      TRP  23  -0.581  13.715  -3.354
  199    HZ2  TRP  23           HZ2      TRP  23  -5.207  15.296  -2.424
  200    HZ3  TRP  23           HZ3      TRP  23  -1.917  14.766  -5.091
  201    HH2  TRP  23           HH2      TRP  23  -4.195  15.552  -4.650
  202    H    HIS  24           HN       HIS  24  -0.205  15.811   0.432
  203    HA   HIS  24           HA       HIS  24   0.458  17.684  -1.539
  204   1HB   HIS  24          HB2       HIS  24  -1.018  16.429  -3.005
  205   2HB   HIS  24          HB1       HIS  24  -2.315  16.513  -1.819
  206    HD1  HIS  24           HD1      HIS  24  -0.271  18.838  -4.017
  207    HD2  HIS  24           HD2      HIS  24  -3.958  18.663  -2.107
  208    HE1  HIS  24           HE1      HIS  24  -1.521  20.882  -4.781
  209    HE2  HIS  24           HE2      HIS  24  -3.781  20.708  -3.681
  210    H    GLY  25           HN       GLY  25  -2.214  16.747   0.624
  211   1HA   GLY  25          HA2       GLY  25  -1.961  18.337   2.702
  212   2HA   GLY  25          HA1       GLY  25  -2.442  19.527   1.505
  213    H    GLY  26           HN       GLY  26  -3.632  18.101   4.017
  214   1HA   GLY  26          HA2       GLY  26  -5.833  17.964   4.721
  215   2HA   GLY  26          HA1       GLY  26  -6.347  18.264   3.067
  216    H    LYS  27           HN       LYS  27  -5.797  15.914   5.490
  217    HA   LYS  27           HA       LYS  27  -5.512  13.564   4.066
  218   1HB   LYS  27          HB2       LYS  27  -5.356  13.330   6.374
  219   2HB   LYS  27          HB1       LYS  27  -6.833  14.237   6.671
  220   1HG   LYS  27          HG2       LYS  27  -8.148  12.417   6.475
  221   2HG   LYS  27          HG1       LYS  27  -7.159  11.707   5.196
  222   1HD   LYS  27          HD2       LYS  27  -6.521  10.257   6.790
  223   2HD   LYS  27          HD1       LYS  27  -5.471  11.569   7.328
  224   1HE   LYS  27          HE2       LYS  27  -8.201  10.852   8.381
  225   2HE   LYS  27          HE1       LYS  27  -6.661  10.736   9.230
  226   1HZ   LYS  27          HZ1       LYS  27  -8.341  13.054   8.746
  227   2HZ   LYS  27          HZ2       LYS  27  -6.676  13.316   8.594
  228   3HZ   LYS  27          HZ3       LYS  27  -7.308  12.716  10.043
  229    H    ASP  28           HN       ASP  28  -8.263  15.657   4.307
  230    HA   ASP  28           HA       ASP  28 -10.362  13.954   3.692
  231   1HB   ASP  28          HB2       ASP  28  -9.989  16.772   2.653
  232   2HB   ASP  28          HB1       ASP  28 -11.516  15.909   2.815
  233    H    ASN  29           HN       ASN  29  -7.822  15.233   1.657
  234    HA   ASN  29           HA       ASN  29  -9.076  14.291  -0.785
  235   1HB   ASN  29          HB2       ASN  29  -7.315  16.308  -0.278
  236   2HB   ASN  29          HB1       ASN  29  -6.225  15.049  -0.848
  237   1HD2  ASN  29          HD21      ASN  29  -8.528  17.393  -1.703
  238   2HD2  ASN  29          HD22      ASN  29  -8.577  17.070  -3.400
  239    H    LEU  30           HN       LEU  30  -6.342  13.439   1.287
  240    HA   LEU  30           HA       LEU  30  -5.347  11.297  -0.249
  241   1HB   LEU  30          HB2       LEU  30  -4.290  12.517   1.744
  242   2HB   LEU  30          HB1       LEU  30  -5.264  11.477   2.752
  243    HG   LEU  30           HG       LEU  30  -3.005  10.634   2.611
  244   1HD1  LEU  30          HD11      LEU  30  -4.236   8.594   0.951
  245   2HD1  LEU  30          HD12      LEU  30  -5.260   9.157   2.268
  246   3HD1  LEU  30          HD13      LEU  30  -3.657   8.518   2.611
  247   1HD2  LEU  30          HD21      LEU  30  -3.360  11.111  -0.259
  248   2HD2  LEU  30          HD22      LEU  30  -2.573   9.581   0.144
  249   3HD2  LEU  30          HD23      LEU  30  -1.895  11.101   0.721
  250    H    HIS  31           HN       HIS  31  -7.900  11.552   2.142
  251    HA   HIS  31           HA       HIS  31  -8.372   8.949   2.839
  252   1HB   HIS  31          HB2       HIS  31  -9.628  11.101   3.515
  253   2HB   HIS  31          HB1       HIS  31 -10.650  10.778   2.119
  254    HD1  HIS  31           HD1      HIS  31 -11.561   8.090   2.200
  255    HD2  HIS  31           HD2      HIS  31 -10.680  10.047   5.758
  256    HE1  HIS  31           HE1      HIS  31 -12.793   6.821   3.989
  257    HE2  HIS  31           HE2      HIS  31 -12.325   8.083   6.118
  258    H    ASP  32           HN       ASP  32  -9.307  10.564  -0.160
  259    HA   ASP  32           HA       ASP  32 -10.777   8.314  -1.150
  260   1HB   ASP  32          HB2       ASP  32 -10.014  10.994  -2.172
  261   2HB   ASP  32          HB1       ASP  32 -10.368   9.757  -3.373
  262    H    VAL  33           HN       VAL  33  -7.456   9.236  -1.161
  263    HA   VAL  33           HA       VAL  33  -6.835   7.464  -3.385
  264    HB   VAL  33           HB       VAL  33  -5.746   9.763  -2.915
  265   1HG1  VAL  33          HG11      VAL  33  -3.597   9.581  -1.693
  266   2HG1  VAL  33          HG12      VAL  33  -4.117   8.008  -1.097
  267   3HG1  VAL  33          HG13      VAL  33  -5.018   9.458  -0.663
  268   1HG2  VAL  33          HG21      VAL  33  -4.756   8.929  -4.725
  269   2HG2  VAL  33          HG22      VAL  33  -4.657   7.307  -4.040
  270   3HG2  VAL  33          HG23      VAL  33  -3.438   8.516  -3.627
  271    H    ASP  34           HN       ASP  34  -6.097   7.726   0.099
  272    HA   ASP  34           HA       ASP  34  -4.691   5.237   0.137
  273   1HB   ASP  34          HB2       ASP  34  -4.014   6.659   1.858
  274   2HB   ASP  34          HB1       ASP  34  -5.667   7.115   2.266
  275    H    ASN  35           HN       ASN  35  -8.032   6.195   0.454
  276    HA   ASN  35           HA       ASN  35  -9.080   3.993   1.807
  277   1HB   ASN  35          HB2       ASN  35 -10.540   5.829   1.283
  278   2HB   ASN  35          HB1       ASN  35 -10.249   5.647  -0.444
  279   1HD2  ASN  35          HD21      ASN  35 -10.996   3.623  -1.427
  280   2HD2  ASN  35          HD22      ASN  35 -12.444   2.900  -0.825
  281    H    HIS  36           HN       HIS  36  -7.923   4.382  -1.449
  282    HA   HIS  36           HA       HIS  36  -8.905   1.983  -2.564
  283   1HB   HIS  36          HB2       HIS  36  -7.352   4.168  -3.422
  284   2HB   HIS  36          HB1       HIS  36  -6.308   2.760  -3.613
  285    HD1  HIS  36           HD1      HIS  36  -8.949   0.921  -4.283
  286    HD2  HIS  36           HD2      HIS  36  -7.613   4.341  -6.230
  287    HE1  HIS  36           HE1      HIS  36  -9.919   0.798  -6.600
  288    HE2  HIS  36           HE2      HIS  36  -9.034   2.838  -7.784
  289    H    LEU  37           HN       LEU  37  -6.125   2.817  -0.635
  290    HA   LEU  37           HA       LEU  37  -4.732   0.350  -0.911
  291   1HB   LEU  37          HB2       LEU  37  -3.863   2.650  -0.139
  292   2HB   LEU  37          HB1       LEU  37  -4.524   2.232   1.426
  293    HG   LEU  37           HG       LEU  37  -2.484   1.427   1.847
  294   1HD1  LEU  37          HD11      LEU  37  -3.704  -0.651   1.725
  295   2HD1  LEU  37          HD12      LEU  37  -2.058  -0.891   1.140
  296   3HD1  LEU  37          HD13      LEU  37  -3.391  -0.766  -0.008
  297   1HD2  LEU  37          HD21      LEU  37  -0.996   0.651  -0.172
  298   2HD2  LEU  37          HD22      LEU  37  -1.229   2.362   0.181
  299   3HD2  LEU  37          HD23      LEU  37  -2.161   1.591  -1.102
  300    H    GLN  38           HN       GLN  38  -6.316   1.748   1.955
  301    HA   GLN  38           HA       GLN  38  -6.408  -0.471   3.551
  302   1HB   GLN  38          HB2       GLN  38  -7.188   1.947   4.015
  303   2HB   GLN  38          HB1       GLN  38  -8.749   1.410   3.411
  304   1HG   GLN  38          HG2       GLN  38  -8.576  -0.461   5.139
  305   2HG   GLN  38          HG1       GLN  38  -7.271   0.491   5.848
  306   1HE2  GLN  38          HE21      GLN  38  -8.295   3.044   5.370
  307   2HE2  GLN  38          HE22      GLN  38  -9.690   3.272   6.364
  308    H    ASN  39           HN       ASN  39  -8.553   0.349   0.881
  309    HA   ASN  39           HA       ASN  39 -10.455  -1.712   1.389
  310   1HB   ASN  39          HB2       ASN  39 -10.782   0.381  -0.049
  311   2HB   ASN  39          HB1       ASN  39  -9.886  -0.471  -1.305
  312   1HD2  ASN  39          HD21      ASN  39 -10.837  -2.143  -2.393
  313   2HD2  ASN  39          HD22      ASN  39 -12.513  -2.535  -2.248
  314    H    VAL  40           HN       VAL  40  -7.429  -1.514  -0.344
  315    HA   VAL  40           HA       VAL  40  -7.709  -3.978  -1.753
  316    HB   VAL  40           HB       VAL  40  -5.302  -2.281  -1.092
  317   1HG1  VAL  40          HG11      VAL  40  -5.360  -5.025  -1.982
  318   2HG1  VAL  40          HG12      VAL  40  -3.984  -4.011  -1.545
  319   3HG1  VAL  40          HG13      VAL  40  -4.613  -3.981  -3.192
  320   1HG2  VAL  40          HG21      VAL  40  -5.598  -1.288  -3.094
  321   2HG2  VAL  40          HG22      VAL  40  -7.264  -1.827  -2.883
  322   3HG2  VAL  40          HG23      VAL  40  -6.149  -2.774  -3.867
  323    H    ILE  41           HN       ILE  41  -6.374  -3.011   1.358
  324    HA   ILE  41           HA       ILE  41  -4.955  -5.247   2.105
  325    HB   ILE  41           HB       ILE  41  -6.792  -3.700   3.936
  326   1HG1  ILE  41          HG12      ILE  41  -5.391  -2.118   2.775
  327   2HG1  ILE  41          HG11      ILE  41  -4.756  -2.319   4.404
  328   1HG2  ILE  41          HG21      ILE  41  -5.411  -4.421   5.718
  329   2HG2  ILE  41          HG22      ILE  41  -4.207  -5.081   4.612
  330   3HG2  ILE  41          HG23      ILE  41  -5.783  -5.857   4.764
  331   1HD1  ILE  41          HD11      ILE  41  -2.982  -2.227   2.738
  332   2HD1  ILE  41          HD12      ILE  41  -3.668  -3.635   1.926
  333   3HD1  ILE  41          HD13      ILE  41  -3.017  -3.788   3.558
  334    H    GLU  42           HN       GLU  42  -8.434  -4.781   2.030
  335    HA   GLU  42           HA       GLU  42  -9.036  -7.260   3.343
  336   1HB   GLU  42          HB2       GLU  42 -11.305  -6.714   3.030
  337   2HB   GLU  42          HB1       GLU  42 -10.516  -5.157   3.238
  338   1HG   GLU  42          HG2       GLU  42 -11.447  -4.489   1.353
  339   2HG   GLU  42          HG1       GLU  42 -10.466  -5.669   0.487
  340    H    ASP  43           HN       ASP  43  -8.368  -6.247   0.130
  341    HA   ASP  43           HA       ASP  43  -9.465  -8.634  -1.060
  342   1HB   ASP  43          HB2       ASP  43  -8.106  -6.175  -2.054
  343   2HB   ASP  43          HB1       ASP  43  -7.965  -7.626  -3.042
  344    H    ILE  44           HN       ILE  44  -6.445  -7.509   0.237
  345    HA   ILE  44           HA       ILE  44  -4.962  -9.709  -0.940
  346    HB   ILE  44           HB       ILE  44  -3.641  -8.222   1.219
  347   1HG1  ILE  44          HG12      ILE  44  -4.716  -6.824  -1.219
  348   2HG1  ILE  44          HG11      ILE  44  -4.748  -6.298   0.460
  349   1HG2  ILE  44          HG21      ILE  44  -2.377  -8.146  -1.369
  350   2HG2  ILE  44          HG22      ILE  44  -2.932  -9.775  -0.988
  351   3HG2  ILE  44          HG23      ILE  44  -1.849  -8.932   0.119
  352   1HD1  ILE  44          HD11      ILE  44  -3.045  -4.988  -0.096
  353   2HD1  ILE  44          HD12      ILE  44  -2.746  -5.869  -1.594
  354   3HD1  ILE  44          HD13      ILE  44  -2.066  -6.454  -0.076
  355    H    HIS  45           HN       HIS  45  -5.788  -8.629   2.360
  356    HA   HIS  45           HA       HIS  45  -4.765 -10.910   3.634
  357   1HB   HIS  45          HB2       HIS  45  -5.497  -9.970   5.570
  358   2HB   HIS  45          HB1       HIS  45  -5.692  -8.556   4.543
  359    HD1  HIS  45           HD1      HIS  45  -7.387  -9.773   7.174
  360    HD2  HIS  45           HD2      HIS  45  -8.587  -9.203   3.240
  361    HE1  HIS  45           HE1      HIS  45  -9.896  -9.613   7.256
  362    HE2  HIS  45           HE2      HIS  45 -10.594  -9.174   4.875
  363    H    ASP  46           HN       ASP  46  -7.759 -10.343   1.960
  364    HA   ASP  46           HA       ASP  46  -8.992 -12.748   3.030
  365   1HB   ASP  46          HB2       ASP  46 -10.297 -10.654   2.461
  366   2HB   ASP  46          HB1       ASP  46  -9.987 -11.011   0.765
  367    H    PHE  47           HN       PHE  47  -7.321 -11.634   0.180
  368    HA   PHE  47           HA       PHE  47  -7.912 -14.031  -1.337
  369   1HB   PHE  47          HB2       PHE  47  -6.259 -11.587  -1.845
  370   2HB   PHE  47          HB1       PHE  47  -6.043 -13.011  -2.853
  371    HD1  PHE  47           HD1      PHE  47  -9.197 -11.716  -1.383
  372    HD2  PHE  47           HD2      PHE  47  -6.899 -12.346  -4.908
  373    HE1  PHE  47           HE1      PHE  47 -11.130 -11.056  -2.756
  374    HE2  PHE  47           HE2      PHE  47  -8.826 -11.686  -6.288
  375    HZ   PHE  47           HZ       PHE  47 -10.945 -11.039  -5.212
  376    H    MET  48           HN       MET  48  -5.043 -12.695   0.285
  377    HA   MET  48           HA       MET  48  -3.170 -14.578  -0.418
  378   1HB   MET  48          HB2       MET  48  -1.926 -13.950   1.522
  379   2HB   MET  48          HB1       MET  48  -2.757 -12.518   0.933
  380   1HG   MET  48          HG2       MET  48  -4.466 -12.809   2.661
  381   2HG   MET  48          HG1       MET  48  -3.609 -14.230   3.256
  382   1HE   MET  48          HE1       MET  48  -1.715 -10.032   3.255
  383   2HE   MET  48          HE2       MET  48  -3.006 -10.575   2.181
  384   3HE   MET  48          HE3       MET  48  -1.369 -11.197   1.977
  385    H    GLN  49           HN       GLN  49  -5.897 -14.988   1.673
  386    HA   GLN  49           HA       GLN  49  -4.858 -17.456   2.800
  387   1HB   GLN  49          HB2       GLN  49  -7.503 -16.044   3.174
  388   2HB   GLN  49          HB1       GLN  49  -7.039 -17.523   4.005
  389   1HG   GLN  49          HG2       GLN  49  -5.287 -16.413   5.169
  390   2HG   GLN  49          HG1       GLN  49  -5.483 -14.959   4.192
  391   1HE2  GLN  49          HE21      GLN  49  -5.692 -13.847   6.219
  392   2HE2  GLN  49          HE22      GLN  49  -7.212 -13.830   7.041
  393    H    GLY  50           HN       GLY  50  -5.788 -16.910  -0.151
  394   1HA   GLY  50          HA2       GLY  50  -6.232 -18.758  -1.621
  395   2HA   GLY  50          HA1       GLY  50  -7.222 -19.471  -0.358
  396    H    GLY  51           HN       GLY  51  -7.494 -16.080  -1.091
  397   1HA   GLY  51          HA2       GLY  51 -10.205 -16.597  -2.106
  398   2HA   GLY  51          HA1       GLY  51  -9.652 -15.089  -1.396
  399    H    GLY  52           HN       GLY  52  -7.713 -16.777  -3.749
  400   1HA   GLY  52          HA2       GLY  52  -7.714 -16.420  -6.114
  401   2HA   GLY  52          HA1       GLY  52  -8.613 -14.934  -5.855
  402    H    SER  53           HN       SER  53  -5.853 -15.729  -3.890
  403    HA   SER  53           HA       SER  53  -4.551 -13.294  -4.457
  404   1HB   SER  53          HB2       SER  53  -4.292 -15.310  -2.553
  405   2HB   SER  53          HB1       SER  53  -2.763 -15.351  -3.429
  406    HG   SER  53           HG       SER  53  -2.360 -13.786  -2.039
  407    H    GLY  54           HN       GLY  54  -4.625 -16.236  -6.178
  408   1HA   GLY  54          HA2       GLY  54  -2.021 -15.899  -7.410
  409   2HA   GLY  54          HA1       GLY  54  -3.195 -17.154  -7.775
  410    H    GLY  55           HN       GLY  55  -2.615 -13.673  -8.169
  411   1HA   GLY  55          HA2       GLY  55  -2.588 -13.069 -10.644
  412   2HA   GLY  55          HA1       GLY  55  -4.193 -13.783 -10.661
  413    H    LYS  56           HN       LYS  56  -4.296 -12.525  -7.772
  414    HA   LYS  56           HA       LYS  56  -5.572 -10.078  -8.678
  415   1HB   LYS  56          HB2       LYS  56  -6.934 -11.172  -7.151
  416   2HB   LYS  56          HB1       LYS  56  -5.580 -11.702  -6.167
  417   1HG   LYS  56          HG2       LYS  56  -5.987  -8.796  -6.250
  418   2HG   LYS  56          HG1       LYS  56  -7.287  -9.719  -5.495
  419   1HD   LYS  56          HD2       LYS  56  -5.825 -10.652  -3.890
  420   2HD   LYS  56          HD1       LYS  56  -4.394 -10.120  -4.774
  421   1HE   LYS  56          HE2       LYS  56  -6.136  -7.905  -4.092
  422   2HE   LYS  56          HE1       LYS  56  -5.627  -8.808  -2.667
  423   1HZ   LYS  56          HZ1       LYS  56  -3.595  -8.113  -4.650
  424   2HZ   LYS  56          HZ2       LYS  56  -3.459  -8.254  -2.972
  425   3HZ   LYS  56          HZ3       LYS  56  -4.174  -6.879  -3.648
  426    H    LEU  57           HN       LEU  57  -2.700 -11.082  -6.989
  427    HA   LEU  57           HA       LEU  57  -2.128  -8.563  -5.822
  428   1HB   LEU  57          HB2       LEU  57  -0.841 -11.154  -6.023
  429   2HB   LEU  57          HB1       LEU  57   0.315  -9.848  -6.174
  430    HG   LEU  57           HG       LEU  57   0.303 -10.355  -3.891
  431   1HD1  LEU  57          HD11      LEU  57  -1.708  -8.124  -4.044
  432   2HD1  LEU  57          HD12      LEU  57  -0.001  -7.922  -4.437
  433   3HD1  LEU  57          HD13      LEU  57  -0.483  -8.400  -2.810
  434   1HD2  LEU  57          HD21      LEU  57  -2.076 -11.535  -4.307
  435   2HD2  LEU  57          HD22      LEU  57  -2.592 -10.095  -3.429
  436   3HD2  LEU  57          HD23      LEU  57  -1.418 -11.194  -2.708
  437    H    GLN  58           HN       GLN  58  -2.083  -9.515  -9.050
  438    HA   GLN  58           HA       GLN  58   0.153  -7.816  -9.752
  439   1HB   GLN  58          HB2       GLN  58  -0.088  -8.584 -11.981
  440   2HB   GLN  58          HB1       GLN  58  -0.372  -9.981 -10.953
  441   1HG   GLN  58          HG2       GLN  58  -2.836  -9.503 -11.202
  442   2HG   GLN  58          HG1       GLN  58  -2.393  -8.348 -12.456
  443   1HE2  GLN  58          HE21      GLN  58  -2.424  -9.104 -14.440
  444   2HE2  GLN  58          HE22      GLN  58  -2.220 -10.754 -14.909
  445    H    GLU  59           HN       GLU  59  -3.348  -7.836 -10.377
  446    HA   GLU  59           HA       GLU  59  -3.205  -5.146 -11.443
  447   1HB   GLU  59          HB2       GLU  59  -5.178  -7.319 -11.398
  448   2HB   GLU  59          HB1       GLU  59  -5.881  -5.721 -11.198
  449   1HG   GLU  59          HG2       GLU  59  -3.906  -5.895 -13.344
  450   2HG   GLU  59          HG1       GLU  59  -5.325  -6.914 -13.579
  451    H    MET  60           HN       MET  60  -4.158  -6.769  -8.499
  452    HA   MET  60           HA       MET  60  -5.448  -4.456  -7.388
  453   1HB   MET  60          HB2       MET  60  -5.841  -6.964  -6.825
  454   2HB   MET  60          HB1       MET  60  -4.473  -6.760  -5.740
  455   1HG   MET  60          HG2       MET  60  -5.835  -5.942  -4.209
  456   2HG   MET  60          HG1       MET  60  -6.196  -4.588  -5.275
  457   1HE   MET  60          HE1       MET  60  -7.928  -5.415  -7.573
  458   2HE   MET  60          HE2       MET  60  -8.369  -4.167  -6.408
  459   3HE   MET  60          HE3       MET  60  -9.539  -5.407  -6.857
  460    H    MET  61           HN       MET  61  -2.207  -5.830  -7.339
  461    HA   MET  61           HA       MET  61  -1.221  -4.442  -5.093
  462   1HB   MET  61          HB2       MET  61   0.133  -6.163  -6.002
  463   2HB   MET  61          HB1       MET  61   0.128  -5.434  -7.601
  464   1HG   MET  61          HG2       MET  61   1.253  -3.538  -5.849
  465   2HG   MET  61          HG1       MET  61   1.976  -5.094  -5.452
  466   1HE   MET  61          HE1       MET  61   4.570  -3.482  -6.773
  467   2HE   MET  61          HE2       MET  61   3.168  -2.511  -6.324
  468   3HE   MET  61          HE3       MET  61   3.828  -2.402  -7.955
  469    H    LYS  62           HN       LYS  62  -1.490  -3.474  -8.484
  470    HA   LYS  62           HA       LYS  62  -0.131  -1.027  -8.284
  471   1HB   LYS  62          HB2       LYS  62  -2.213  -2.118 -10.142
  472   2HB   LYS  62          HB1       LYS  62  -1.762  -0.421 -10.247
  473   1HG   LYS  62          HG2       LYS  62   0.672  -1.409 -10.314
  474   2HG   LYS  62          HG1       LYS  62  -0.174  -2.851 -10.881
  475   1HD   LYS  62          HD2       LYS  62  -0.390  -0.098 -12.101
  476   2HD   LYS  62          HD1       LYS  62   0.577  -1.429 -12.740
  477   1HE   LYS  62          HE2       LYS  62  -2.247  -2.069 -12.228
  478   2HE   LYS  62          HE1       LYS  62  -1.970  -0.874 -13.495
  479   1HZ   LYS  62          HZ1       LYS  62  -1.036  -2.394 -14.846
  480   2HZ   LYS  62          HZ2       LYS  62  -1.928  -3.493 -13.920
  481   3HZ   LYS  62          HZ3       LYS  62  -0.289  -3.243 -13.587
  482    H    GLU  63           HN       GLU  63  -3.185  -2.016  -7.084
  483    HA   GLU  63           HA       GLU  63  -4.420   0.555  -7.009
  484   1HB   GLU  63          HB2       GLU  63  -5.507  -1.803  -6.900
  485   2HB   GLU  63          HB1       GLU  63  -5.162  -1.699  -5.179
  486   1HG   GLU  63          HG2       GLU  63  -6.563   0.182  -4.912
  487   2HG   GLU  63          HG1       GLU  63  -6.701   0.413  -6.654
  488    H    PHE  64           HN       PHE  64  -2.320  -1.241  -4.828
  489    HA   PHE  64           HA       PHE  64  -2.781   0.668  -2.698
  490   1HB   PHE  64          HB2       PHE  64  -1.613  -0.779  -1.283
  491   2HB   PHE  64          HB1       PHE  64  -2.411  -1.875  -2.400
  492    HD1  PHE  64           HD1      PHE  64  -1.209  -3.565  -3.328
  493    HD2  PHE  64           HD2      PHE  64   0.843  -0.092  -1.976
  494    HE1  PHE  64           HE1      PHE  64   0.941  -4.655  -3.808
  495    HE2  PHE  64           HE2      PHE  64   2.997  -1.176  -2.463
  496    HZ   PHE  64           HZ       PHE  64   3.045  -3.457  -3.375
  497    H    GLN  65           HN       GLN  65  -0.567   0.051  -5.263
  498    HA   GLN  65           HA       GLN  65   1.486   1.820  -4.251
  499   1HB   GLN  65          HB2       GLN  65   1.469  -0.253  -6.076
  500   2HB   GLN  65          HB1       GLN  65   1.570   1.167  -7.108
  501   1HG   GLN  65          HG2       GLN  65   3.458   1.858  -5.418
  502   2HG   GLN  65          HG1       GLN  65   3.515   0.121  -5.121
  503   1HE2  GLN  65          HE21      GLN  65   5.710   1.305  -6.113
  504   2HE2  GLN  65          HE22      GLN  65   5.940   0.881  -7.772
  505    H    GLN  66           HN       GLN  66  -1.247   1.908  -6.429
  506    HA   GLN  66           HA       GLN  66  -0.706   4.280  -7.809
  507   1HB   GLN  66          HB2       GLN  66  -2.501   2.787  -8.489
  508   2HB   GLN  66          HB1       GLN  66  -3.361   3.087  -6.986
  509   1HG   GLN  66          HG2       GLN  66  -2.975   5.610  -8.069
  510   2HG   GLN  66          HG1       GLN  66  -3.361   4.589  -9.454
  511   1HE2  GLN  66          HE21      GLN  66  -5.082   6.542  -8.822
  512   2HE2  GLN  66          HE22      GLN  66  -6.522   5.893  -8.123
  513    H    VAL  67           HN       VAL  67  -2.005   3.700  -4.612
  514    HA   VAL  67           HA       VAL  67  -3.070   6.205  -4.008
  515    HB   VAL  67           HB       VAL  67  -1.605   4.260  -2.201
  516   1HG1  VAL  67          HG11      VAL  67  -2.285   5.405  -0.337
  517   2HG1  VAL  67          HG12      VAL  67  -3.620   6.194  -1.172
  518   3HG1  VAL  67          HG13      VAL  67  -1.968   6.747  -1.436
  519   1HG2  VAL  67          HG21      VAL  67  -3.388   2.999  -2.695
  520   2HG2  VAL  67          HG22      VAL  67  -4.305   4.367  -3.327
  521   3HG2  VAL  67          HG23      VAL  67  -4.246   4.074  -1.589
  522    H    LEU  68           HN       LEU  68   0.243   5.041  -3.957
  523    HA   LEU  68           HA       LEU  68   1.345   7.441  -2.833
  524   1HB   LEU  68          HB2       LEU  68   2.363   4.883  -3.909
  525   2HB   LEU  68          HB1       LEU  68   3.458   6.253  -3.975
  526    HG   LEU  68           HG       LEU  68   2.667   6.501  -1.433
  527   1HD1  LEU  68          HD11      LEU  68   2.926   3.720  -1.020
  528   2HD1  LEU  68          HD12      LEU  68   1.638   3.952  -2.201
  529   3HD1  LEU  68          HD13      LEU  68   1.554   4.759  -0.634
  530   1HD2  LEU  68          HD21      LEU  68   4.916   5.338  -2.831
  531   2HD2  LEU  68          HD22      LEU  68   4.672   4.562  -1.265
  532   3HD2  LEU  68          HD23      LEU  68   4.888   6.310  -1.361
  533    H    ASP  69           HN       ASP  69   0.046   6.709  -5.829
  534    HA   ASP  69           HA       ASP  69   1.828   8.187  -7.512
  535   1HB   ASP  69          HB2       ASP  69   0.135   6.351  -8.203
  536   2HB   ASP  69          HB1       ASP  69  -1.066   7.638  -8.143
  537    H    GLU  70           HN       GLU  70  -1.514   8.809  -6.381
  538    HA   GLU  70           HA       GLU  70  -1.731  11.471  -7.176
  539   1HB   GLU  70          HB2       GLU  70  -3.436   9.852  -5.957
  540   2HB   GLU  70          HB1       GLU  70  -2.793  10.602  -4.499
  541   1HG   GLU  70          HG2       GLU  70  -4.881  11.630  -5.358
  542   2HG   GLU  70          HG1       GLU  70  -3.533  12.750  -5.175
  543    H    LEU  71           HN       LEU  71  -0.202   9.968  -4.489
  544    HA   LEU  71           HA       LEU  71   0.418  12.273  -2.970
  545   1HB   LEU  71          HB2       LEU  71   0.257  10.266  -1.821
  546   2HB   LEU  71          HB1       LEU  71   1.185   9.394  -3.017
  547    HG   LEU  71           HG       LEU  71   3.013  11.204  -1.983
  548   1HD1  LEU  71          HD11      LEU  71   0.901  10.791  -0.084
  549   2HD1  LEU  71          HD12      LEU  71   2.328  11.813   0.039
  550   3HD1  LEU  71          HD13      LEU  71   2.412  10.117   0.515
  551   1HD2  LEU  71          HD21      LEU  71   3.635   9.006  -0.664
  552   2HD2  LEU  71          HD22      LEU  71   3.813   9.112  -2.415
  553   3HD2  LEU  71          HD23      LEU  71   2.409   8.316  -1.717
  554    H    ASN  72           HN       ASN  72   2.629  10.032  -4.642
  555    HA   ASN  72           HA       ASN  72   4.909  11.559  -4.501
  556   1HB   ASN  72          HB2       ASN  72   4.584   9.148  -5.355
  557   2HB   ASN  72          HB1       ASN  72   4.304   9.889  -6.928
  558   1HD2  ASN  72          HD21      ASN  72   6.519   8.257  -5.475
  559   2HD2  ASN  72          HD22      ASN  72   7.965   9.055  -5.984
  560    H    ASN  73           HN       ASN  73   2.171  12.037  -6.563
  561    HA   ASN  73           HA       ASN  73   3.602  13.764  -8.390
  562   1HB   ASN  73          HB2       ASN  73   1.258  12.276  -8.547
  563   2HB   ASN  73          HB1       ASN  73   0.701  13.945  -8.519
  564   1HD2  ASN  73          HD21      ASN  73   1.756  15.423 -10.061
  565   2HD2  ASN  73          HD22      ASN  73   2.190  14.805 -11.614
  566    H    HIS  74           HN       HIS  74   2.679  14.221  -5.295
  567    HA   HIS  74           HA       HIS  74   2.564  17.102  -5.649
  568   1HB   HIS  74          HB2       HIS  74   0.262  15.476  -4.665
  569   2HB   HIS  74          HB1       HIS  74   0.558  17.051  -3.937
  570    HD1  HIS  74           HD1      HIS  74   1.583  18.080  -6.939
  571    HD2  HIS  74           HD2      HIS  74  -2.118  16.595  -5.772
  572    HE1  HIS  74           HE1      HIS  74  -0.056  18.956  -8.630
  573    HE2  HIS  74           HE2      HIS  74  -2.299  18.109  -7.859
  574    H    LEU  75           HN       LEU  75   4.546  15.378  -4.492
  575    HA   LEU  75           HA       LEU  75   4.487  15.210  -1.709
  576   1HB   LEU  75          HB2       LEU  75   6.520  15.236  -3.791
  577   2HB   LEU  75          HB1       LEU  75   7.083  16.049  -2.346
  578    HG   LEU  75           HG       LEU  75   7.795  13.927  -1.935
  579   1HD1  LEU  75          HD11      LEU  75   5.883  14.769  -0.305
  580   2HD1  LEU  75          HD12      LEU  75   6.664  13.203  -0.096
  581   3HD1  LEU  75          HD13      LEU  75   5.094  13.306  -0.887
  582   1HD2  LEU  75          HD21      LEU  75   7.247  12.487  -3.547
  583   2HD2  LEU  75          HD22      LEU  75   5.642  13.187  -3.760
  584   3HD2  LEU  75          HD23      LEU  75   5.931  12.021  -2.470
  585    H    GLN  76           HN       GLN  76   3.325  17.015  -0.973
  586    HA   GLN  76           HA       GLN  76   4.224  19.666  -1.513
  587   1HB   GLN  76          HB2       GLN  76   1.914  18.422  -0.352
  588   2HB   GLN  76          HB1       GLN  76   2.476  19.710   0.705
  589   1HG   GLN  76          HG2       GLN  76   2.477  20.547  -2.056
  590   2HG   GLN  76          HG1       GLN  76   0.889  19.963  -1.558
  591   1HE2  GLN  76          HE21      GLN  76   0.007  20.890   0.437
  592   2HE2  GLN  76          HE22      GLN  76   0.345  22.546   0.798
  593    H    GLY  77           HN       GLY  77   4.467  17.460   1.259
  594   1HA   GLY  77          HA2       GLY  77   5.956  19.514   2.737
  595   2HA   GLY  77          HA1       GLY  77   5.272  18.053   3.423
  596    H    GLY  78           HN       GLY  78   7.143  17.869   0.478
  597   1HA   GLY  78          HA2       GLY  78   9.401  17.324   0.188
  598   2HA   GLY  78          HA1       GLY  78   9.576  17.216   1.932
  599    H    LYS  79           HN       LYS  79   9.892  15.467  -0.693
  600    HA   LYS  79           HA       LYS  79   8.430  13.157  -0.490
  601   1HB   LYS  79          HB2       LYS  79  10.663  12.048  -1.346
  602   2HB   LYS  79          HB1       LYS  79   9.714  13.115  -2.367
  603   1HG   LYS  79          HG2       LYS  79  12.065  13.624  -2.560
  604   2HG   LYS  79          HG1       LYS  79  11.216  14.972  -1.810
  605   1HD   LYS  79          HD2       LYS  79  12.159  13.108   0.181
  606   2HD   LYS  79          HD1       LYS  79  13.481  13.650  -0.852
  607   1HE   LYS  79          HE2       LYS  79  11.645  15.764   0.040
  608   2HE   LYS  79          HE1       LYS  79  12.577  14.994   1.323
  609   1HZ   LYS  79          HZ1       LYS  79  14.595  15.450  -0.006
  610   2HZ   LYS  79          HZ2       LYS  79  13.796  16.853   0.498
  611   3HZ   LYS  79          HZ3       LYS  79  13.649  16.326  -1.103
  612    H    HIS  80           HN       HIS  80  10.798  14.250   1.753
  613    HA   HIS  80           HA       HIS  80  11.933  12.051   2.826
  614   1HB   HIS  80          HB2       HIS  80  11.936  14.506   3.664
  615   2HB   HIS  80          HB1       HIS  80  10.589  13.998   4.676
  616    HD1  HIS  80           HD1      HIS  80  11.613  13.909   6.946
  617    HD2  HIS  80           HD2      HIS  80  13.942  11.984   4.093
  618    HE1  HIS  80           HE1      HIS  80  13.474  12.807   8.229
  619    HE2  HIS  80           HE2      HIS  80  14.827  11.585   6.490
  620    H    THR  81           HN       THR  81   8.557  12.970   3.204
  621    HA   THR  81           HA       THR  81   7.898  10.929   5.082
  622    HB   THR  81           HB       THR  81   6.400  12.820   3.337
  623    HG1  THR  81           HG1      THR  81   6.147  12.209   6.087
  624   1HG2  THR  81          HG21      THR  81   4.344  11.687   4.683
  625   2HG2  THR  81          HG22      THR  81   5.279  10.262   4.221
  626   3HG2  THR  81          HG23      THR  81   4.720  11.398   2.982
  627    H    VAL  82           HN       VAL  82   6.685  11.251   1.777
  628    HA   VAL  82           HA       VAL  82   5.890   8.659   1.367
  629    HB   VAL  82           HB       VAL  82   7.171  10.408  -0.740
  630   1HG1  VAL  82          HG11      VAL  82   5.659   9.173  -2.267
  631   2HG1  VAL  82          HG12      VAL  82   5.199   8.131  -0.921
  632   3HG1  VAL  82          HG13      VAL  82   6.864   8.139  -1.500
  633   1HG2  VAL  82          HG21      VAL  82   4.783  11.096  -1.178
  634   2HG2  VAL  82          HG22      VAL  82   5.494  11.717   0.310
  635   3HG2  VAL  82          HG23      VAL  82   4.374  10.362   0.372
  636    H    HIS  83           HN       HIS  83   9.174   9.986   1.076
  637    HA   HIS  83           HA       HIS  83  10.431   7.885  -0.210
  638   1HB   HIS  83          HB2       HIS  83  11.249  10.134   1.329
  639   2HB   HIS  83          HB1       HIS  83  12.105   8.736   1.961
  640    HD1  HIS  83           HD1      HIS  83  14.339   8.644   0.929
  641    HD2  HIS  83           HD2      HIS  83  11.439   9.853  -1.791
  642    HE1  HIS  83           HE1      HIS  83  15.548   8.934  -1.258
  643    HE2  HIS  83           HE2      HIS  83  13.789   9.746  -2.868
  644    H    HIS  84           HN       HIS  84   9.519   8.233   3.174
  645    HA   HIS  84           HA       HIS  84  10.612   5.690   3.937
  646   1HB   HIS  84          HB2       HIS  84  10.277   7.694   5.476
  647   2HB   HIS  84          HB1       HIS  84   8.562   7.296   5.467
  648    HD1  HIS  84           HD1      HIS  84   7.798   5.383   6.940
  649    HD2  HIS  84           HD2      HIS  84  11.932   5.770   6.787
  650    HE1  HIS  84           HE1      HIS  84   8.683   3.849   8.724
  651    HE2  HIS  84           HE2      HIS  84  11.190   4.023   8.545
  652    H    ILE  85           HN       ILE  85   7.574   6.864   2.723
  653    HA   ILE  85           HA       ILE  85   6.176   4.440   3.436
  654    HB   ILE  85           HB       ILE  85   4.243   5.493   3.009
  655   1HG1  ILE  85          HG12      ILE  85   5.188   7.189   0.747
  656   2HG1  ILE  85          HG11      ILE  85   4.855   5.484   0.482
  657   1HG2  ILE  85          HG21      ILE  85   4.354   7.977   3.086
  658   2HG2  ILE  85          HG22      ILE  85   6.106   7.821   3.017
  659   3HG2  ILE  85          HG23      ILE  85   5.216   7.127   4.369
  660   1HD1  ILE  85          HD11      ILE  85   2.637   5.763   0.610
  661   2HD1  ILE  85          HD12      ILE  85   3.018   7.445   0.252
  662   3HD1  ILE  85          HD13      ILE  85   2.755   6.936   1.918
  663    H    GLU  86           HN       GLU  86   7.716   5.816   0.606
  664    HA   GLU  86           HA       GLU  86   6.718   3.820  -1.201
  665   1HB   GLU  86          HB2       GLU  86   8.659   4.685  -2.665
  666   2HB   GLU  86          HB1       GLU  86   7.340   5.787  -2.308
  667   1HG   GLU  86          HG2       GLU  86   8.704   7.237  -1.361
  668   2HG   GLU  86          HG1       GLU  86   9.418   5.999  -0.334
  669    H    GLN  87           HN       GLN  87   9.891   4.382   0.385
  670    HA   GLN  87           HA       GLN  87  11.141   2.073  -0.558
  671   1HB   GLN  87          HB2       GLN  87  11.454   3.575   2.044
  672   2HB   GLN  87          HB1       GLN  87  12.463   2.200   1.624
  673   1HG   GLN  87          HG2       GLN  87  12.373   4.922   0.400
  674   2HG   GLN  87          HG1       GLN  87  13.755   4.008   0.999
  675   1HE2  GLN  87          HE21      GLN  87  11.334   4.109  -1.561
  676   2HE2  GLN  87          HE22      GLN  87  12.316   3.370  -2.774
  677    H    ASN  88           HN       ASN  88   8.703   2.564   1.835
  678    HA   ASN  88           HA       ASN  88   8.892  -0.100   2.933
  679   1HB   ASN  88          HB2       ASN  88   7.318   2.349   3.486
  680   2HB   ASN  88          HB1       ASN  88   6.517   0.822   3.844
  681   1HD2  ASN  88          HD21      ASN  88   9.551   2.560   4.369
  682   2HD2  ASN  88          HD22      ASN  88   9.839   1.935   5.954
  683    H    ILE  89           HN       ILE  89   6.193   1.676   1.395
  684    HA   ILE  89           HA       ILE  89   4.619  -0.496   0.788
  685    HB   ILE  89           HB       ILE  89   4.605   2.270   0.069
  686   1HG1  ILE  89          HG12      ILE  89   2.224   0.773  -0.617
  687   2HG1  ILE  89          HG11      ILE  89   2.879   0.278   0.938
  688   1HG2  ILE  89          HG21      ILE  89   5.247   1.450  -2.212
  689   2HG2  ILE  89          HG22      ILE  89   3.690   2.276  -2.143
  690   3HG2  ILE  89          HG23      ILE  89   3.747   0.517  -2.232
  691   1HD1  ILE  89          HD11      ILE  89   2.942   3.074   0.959
  692   2HD1  ILE  89          HD12      ILE  89   1.845   2.008   1.840
  693   3HD1  ILE  89          HD13      ILE  89   1.386   2.626   0.255
  694    H    LYS  90           HN       LYS  90   7.419   0.689  -0.972
  695    HA   LYS  90           HA       LYS  90   6.904  -0.857  -3.273
  696   1HB   LYS  90          HB2       LYS  90   9.164   0.739  -2.276
  697   2HB   LYS  90          HB1       LYS  90   9.646  -0.633  -3.256
  698   1HG   LYS  90          HG2       LYS  90   9.374   0.800  -4.953
  699   2HG   LYS  90          HG1       LYS  90   7.669   0.377  -4.785
  700   1HD   LYS  90          HD2       LYS  90   7.128   2.377  -3.825
  701   2HD   LYS  90          HD1       LYS  90   8.720   2.578  -3.090
  702   1HE   LYS  90          HE2       LYS  90   8.590   4.221  -4.772
  703   2HE   LYS  90          HE1       LYS  90   9.603   2.941  -5.437
  704   1HZ   LYS  90          HZ1       LYS  90   7.894   2.214  -6.825
  705   2HZ   LYS  90          HZ2       LYS  90   7.801   3.899  -6.924
  706   3HZ   LYS  90          HZ3       LYS  90   6.696   3.047  -5.967
  707    H    GLU  91           HN       GLU  91   8.177  -1.549  -0.156
  708    HA   GLU  91           HA       GLU  91   9.329  -4.098  -0.935
  709   1HB   GLU  91          HB2       GLU  91   9.303  -2.413   1.492
  710   2HB   GLU  91          HB1       GLU  91   9.296  -4.146   1.786
  711   1HG   GLU  91          HG2       GLU  91  11.253  -3.138  -0.184
  712   2HG   GLU  91          HG1       GLU  91  11.528  -2.720   1.507
  713    H    ILE  92           HN       ILE  92   6.281  -2.935  -0.397
  714    HA   ILE  92           HA       ILE  92   5.173  -5.137   1.065
  715    HB   ILE  92           HB       ILE  92   4.111  -2.661  -0.203
  716   1HG1  ILE  92          HG12      ILE  92   3.009  -2.477   2.011
  717   2HG1  ILE  92          HG11      ILE  92   3.740  -4.011   2.466
  718   1HG2  ILE  92          HG21      ILE  92   2.584  -4.298  -1.107
  719   2HG2  ILE  92          HG22      ILE  92   1.791  -3.349   0.153
  720   3HG2  ILE  92          HG23      ILE  92   2.344  -4.991   0.498
  721   1HD1  ILE  92          HD11      ILE  92   5.723  -2.217   1.453
  722   2HD1  ILE  92          HD12      ILE  92   5.625  -3.008   3.026
  723   3HD1  ILE  92          HD13      ILE  92   4.818  -1.462   2.762
  724    H    PHE  93           HN       PHE  93   4.816  -3.913  -2.264
  725    HA   PHE  93           HA       PHE  93   3.385  -5.957  -3.388
  726   1HB   PHE  93          HB2       PHE  93   3.938  -5.035  -5.399
  727   2HB   PHE  93          HB1       PHE  93   4.553  -3.744  -4.372
  728    HD1  PHE  93           HD1      PHE  93   5.582  -6.838  -6.137
  729    HD2  PHE  93           HD2      PHE  93   6.777  -3.110  -4.476
  730    HE1  PHE  93           HE1      PHE  93   7.822  -7.144  -7.088
  731    HE2  PHE  93           HE2      PHE  93   9.026  -3.400  -5.438
  732    HZ   PHE  93           HZ       PHE  93   9.553  -5.420  -6.748
  733    H    HIS  94           HN       HIS  94   6.898  -5.834  -2.879
  734    HA   HIS  94           HA       HIS  94   7.564  -8.246  -4.121
  735   1HB   HIS  94          HB2       HIS  94   8.988  -6.298  -2.871
  736   2HB   HIS  94          HB1       HIS  94   9.067  -7.574  -1.660
  737    HD1  HIS  94           HD1      HIS  94   9.140  -8.193  -5.380
  738    HD2  HIS  94           HD2      HIS  94  11.684  -8.304  -2.097
  739    HE1  HIS  94           HE1      HIS  94  11.255  -9.272  -6.206
  740    HE2  HIS  94           HE2      HIS  94  12.810  -9.254  -4.224
  741    H    HIS  95           HN       HIS  95   7.149  -7.664  -0.628
  742    HA   HIS  95           HA       HIS  95   7.089 -10.384   0.084
  743   1HB   HIS  95          HB2       HIS  95   6.474  -7.814   1.397
  744   2HB   HIS  95          HB1       HIS  95   5.622  -9.206   2.056
  745    HD1  HIS  95           HD1      HIS  95   6.831 -10.185   3.961
  746    HD2  HIS  95           HD2      HIS  95   9.441  -8.601   1.143
  747    HE1  HIS  95           HE1      HIS  95   9.137 -10.595   4.876
  748    HE2  HIS  95           HE2      HIS  95  10.700  -9.719   3.105
  749    H    LEU  96           HN       LEU  96   4.829  -8.514  -1.601
  750    HA   LEU  96           HA       LEU  96   2.507 -10.026  -0.715
  751   1HB   LEU  96          HB2       LEU  96   2.915  -7.799  -2.698
  752   2HB   LEU  96          HB1       LEU  96   1.381  -8.631  -2.527
  753    HG   LEU  96           HG       LEU  96   2.789  -6.913  -0.522
  754   1HD1  LEU  96          HD11      LEU  96   1.468  -5.737  -2.184
  755   2HD1  LEU  96          HD12      LEU  96   0.687  -5.640  -0.605
  756   3HD1  LEU  96          HD13      LEU  96   0.077  -6.758  -1.821
  757   1HD2  LEU  96          HD21      LEU  96   0.955  -7.413   1.033
  758   2HD2  LEU  96          HD22      LEU  96   1.950  -8.827   0.686
  759   3HD2  LEU  96          HD23      LEU  96   0.373  -8.651  -0.083
  760    H    GLU  97           HN       GLU  97   3.885  -9.274  -3.910
  761    HA   GLU  97           HA       GLU  97   2.642 -11.449  -5.203
  762   1HB   GLU  97          HB2       GLU  97   4.588  -9.370  -5.888
  763   2HB   GLU  97          HB1       GLU  97   4.854 -10.879  -6.748
  764   1HG   GLU  97          HG2       GLU  97   2.236 -10.665  -7.134
  765   2HG   GLU  97          HG1       GLU  97   2.615  -8.956  -6.928
  766    H    GLU  98           HN       GLU  98   5.283 -11.301  -3.074
  767    HA   GLU  98           HA       GLU  98   6.605 -13.660  -4.158
  768   1HB   GLU  98          HB2       GLU  98   7.895 -11.801  -3.102
  769   2HB   GLU  98          HB1       GLU  98   7.155 -12.215  -1.561
  770   1HG   GLU  98          HG2       GLU  98   9.252 -13.229  -1.516
  771   2HG   GLU  98          HG1       GLU  98   8.132 -14.536  -1.898
  772    H    LEU  99           HN       LEU  99   4.226 -12.857  -1.788
  773    HA   LEU  99           HA       LEU  99   4.435 -15.214  -0.208
  774   1HB   LEU  99          HB2       LEU  99   3.364 -13.218   0.657
  775   2HB   LEU  99          HB1       LEU  99   2.158 -13.274  -0.612
  776    HG   LEU  99           HG       LEU  99   1.647 -15.646   0.449
  777   1HD1  LEU  99          HD11      LEU  99   1.849 -14.918   3.065
  778   2HD1  LEU  99          HD12      LEU  99   3.369 -14.320   2.405
  779   3HD1  LEU  99          HD13      LEU  99   2.946 -16.017   2.234
  780   1HD2  LEU  99          HD21      LEU  99  -0.123 -14.177   0.355
  781   2HD2  LEU  99          HD22      LEU  99   0.736 -12.918   1.242
  782   3HD2  LEU  99          HD23      LEU  99   0.109 -14.328   2.097
  783    H    VAL 100           HN       VAL 100   2.041 -14.212  -2.655
  784    HA   VAL 100           HA       VAL 100   0.692 -16.662  -2.802
  785    HB   VAL 100           HB       VAL 100   1.016 -14.651  -5.033
  786   1HG1  VAL 100          HG11      VAL 100  -0.227 -17.145  -5.020
  787   2HG1  VAL 100          HG12      VAL 100  -0.429 -15.862  -6.212
  788   3HG1  VAL 100          HG13      VAL 100  -1.539 -15.980  -4.849
  789   1HG2  VAL 100          HG21      VAL 100  -0.584 -14.624  -2.539
  790   2HG2  VAL 100          HG22      VAL 100  -1.367 -14.046  -4.010
  791   3HG2  VAL 100          HG23      VAL 100   0.123 -13.289  -3.448
  792    H    HIS 101           HN       HIS 101   3.664 -15.590  -4.266
  793    HA   HIS 101           HA       HIS 101   3.763 -17.932  -6.012
  794   1HB   HIS 101          HB2       HIS 101   4.489 -15.427  -6.558
  795   2HB   HIS 101          HB1       HIS 101   6.011 -15.985  -5.876
  796    HD1  HIS 101           HD1      HIS 101   5.373 -15.247  -8.946
  797    HD2  HIS 101           HD2      HIS 101   5.784 -19.043  -7.306
  798    HE1  HIS 101           HE1      HIS 101   6.002 -16.744 -10.866
  799    HE2  HIS 101           HE2      HIS 101   6.337 -19.017  -9.832
  800    H    ARG 102           HN       ARG 102   3.923 -18.271  -3.146
  801    HA   ARG 102           HA       ARG 102   6.704 -19.196  -2.853
  802   1HB   ARG 102          HB2       ARG 102   5.521 -17.506  -1.196
  803   2HB   ARG 102          HB1       ARG 102   4.857 -18.985  -0.517
  804   1HG   ARG 102          HG2       ARG 102   6.708 -18.965   0.738
  805   2HG   ARG 102          HG1       ARG 102   7.476 -19.643  -0.699
  806   1HD   ARG 102          HD2       ARG 102   7.326 -16.749  -0.809
  807   2HD   ARG 102          HD1       ARG 102   8.190 -17.309   0.622
  808    HE   ARG 102           HE       ARG 102   9.085 -18.676  -1.694
  809   1HH1  ARG 102          HH11      ARG 102   9.307 -15.604  -0.054
  810   2HH1  ARG 102          HH12      ARG 102  10.862 -15.224  -0.713
  811   1HH2  ARG 102          HH21      ARG 102  11.131 -18.179  -2.560
  812   2HH2  ARG 102          HH22      ARG 102  11.898 -16.684  -2.136
  Start of MODEL   14
    1   1H    MET   1           HT1      MET   1   0.428 -22.923   4.175
    2   2H    MET   1           HT2      MET   1   1.703 -21.859   4.608
    3   3H    MET   1           HT3      MET   1   1.266 -22.051   2.959
    4    HA   MET   1           HA       MET   1  -0.747 -20.979   3.249
    5   1HB   MET   1          HB2       MET   1  -0.170 -21.599   6.097
    6   2HB   MET   1          HB1       MET   1  -1.052 -20.112   5.777
    7   1HG   MET   1          HG2       MET   1  -2.669 -21.477   4.432
    8   2HG   MET   1          HG1       MET   1  -1.849 -22.913   5.043
    9   1HE   MET   1          HE1       MET   1  -5.034 -23.216   6.887
   10   2HE   MET   1          HE2       MET   1  -4.451 -23.075   5.228
   11   3HE   MET   1          HE3       MET   1  -5.354 -21.749   5.961
   12    H    TYR   2           HN       TYR   2  -0.088 -19.193   2.221
   13    HA   TYR   2           HA       TYR   2   1.864 -17.438   3.537
   14   1HB   TYR   2          HB2       TYR   2   0.985 -17.611   0.646
   15   2HB   TYR   2          HB1       TYR   2   2.089 -16.392   1.273
   16    HD1  TYR   2           HD1      TYR   2   4.341 -16.781   1.016
   17    HD2  TYR   2           HD2      TYR   2   1.714 -20.115   1.303
   18    HE1  TYR   2           HE1      TYR   2   6.241 -18.300   0.667
   19    HE2  TYR   2           HE2      TYR   2   3.607 -21.645   0.955
   20    HH   TYR   2           HH       TYR   2   6.850 -20.623   1.117
   21    H    GLY   3           HN       GLY   3  -0.114 -16.916   4.930
   22   1HA   GLY   3          HA2       GLY   3  -1.583 -14.686   3.662
   23   2HA   GLY   3          HA1       GLY   3  -2.327 -15.764   4.830
   24    H    LYS   4           HN       LYS   4   0.335 -15.722   6.352
   25    HA   LYS   4           HA       LYS   4  -0.390 -13.770   8.230
   26   1HB   LYS   4          HB2       LYS   4   1.038 -15.770   8.707
   27   2HB   LYS   4          HB1       LYS   4   2.354 -14.980   7.848
   28   1HG   LYS   4          HG2       LYS   4   2.783 -14.581  10.108
   29   2HG   LYS   4          HG1       LYS   4   2.090 -13.074   9.507
   30   1HD   LYS   4          HD2       LYS   4   0.333 -15.159  10.743
   31   2HD   LYS   4          HD1       LYS   4   1.258 -14.055  11.763
   32   1HE   LYS   4          HE2       LYS   4  -0.344 -12.540  11.501
   33   2HE   LYS   4          HE1       LYS   4   0.052 -12.467   9.786
   34   1HZ   LYS   4          HZ1       LYS   4  -1.510 -14.731  10.148
   35   2HZ   LYS   4          HZ2       LYS   4  -1.948 -13.292   9.375
   36   3HZ   LYS   4          HZ3       LYS   4  -2.266 -13.497  11.024
   37    H    LEU   5           HN       LEU   5   1.312 -13.448   5.278
   38    HA   LEU   5           HA       LEU   5   2.969 -11.288   5.818
   39   1HB   LEU   5          HB2       LEU   5   2.148 -12.618   3.540
   40   2HB   LEU   5          HB1       LEU   5   1.506 -11.003   3.303
   41    HG   LEU   5           HG       LEU   5   3.669 -11.114   2.271
   42   1HD1  LEU   5          HD11      LEU   5   4.453  -9.675   4.714
   43   2HD1  LEU   5          HD12      LEU   5   2.930  -9.180   3.976
   44   3HD1  LEU   5          HD13      LEU   5   4.421  -9.134   3.036
   45   1HD2  LEU   5          HD21      LEU   5   5.492 -11.422   4.368
   46   2HD2  LEU   5          HD22      LEU   5   5.181 -12.548   3.047
   47   3HD2  LEU   5          HD23      LEU   5   4.313 -12.718   4.573
   48    H    ASN   6           HN       ASN   6  -0.454 -11.540   5.881
   49    HA   ASN   6           HA       ASN   6  -1.275  -8.965   5.371
   50   1HB   ASN   6          HB2       ASN   6  -3.191  -9.435   6.850
   51   2HB   ASN   6          HB1       ASN   6  -2.880 -10.733   5.703
   52   1HD2  ASN   6          HD21      ASN   6  -4.334 -10.937   8.138
   53   2HD2  ASN   6          HD22      ASN   6  -3.494 -12.055   9.153
   54    H    ASP   7           HN       ASP   7  -0.077 -10.378   8.380
   55    HA   ASP   7           HA       ASP   7  -0.421  -8.197  10.072
   56   1HB   ASP   7          HB2       ASP   7   0.620 -10.666  10.402
   57   2HB   ASP   7          HB1       ASP   7   2.111  -9.729  10.350
   58    H    LEU   8           HN       LEU   8   1.867  -8.789   7.539
   59    HA   LEU   8           HA       LEU   8   3.507  -6.495   8.234
   60   1HB   LEU   8          HB2       LEU   8   4.687  -8.389   7.363
   61   2HB   LEU   8          HB1       LEU   8   3.609  -8.504   5.989
   62    HG   LEU   8           HG       LEU   8   5.950  -7.559   5.588
   63   1HD1  LEU   8          HD11      LEU   8   4.074  -5.541   4.581
   64   2HD1  LEU   8          HD12      LEU   8   3.610  -7.215   4.282
   65   3HD1  LEU   8          HD13      LEU   8   5.167  -6.617   3.711
   66   1HD2  LEU   8          HD21      LEU   8   6.600  -5.619   6.484
   67   2HD2  LEU   8          HD22      LEU   8   5.300  -5.874   7.647
   68   3HD2  LEU   8          HD23      LEU   8   5.026  -4.866   6.226
   69    H    LEU   9           HN       LEU   9   0.891  -7.382   6.099
   70    HA   LEU   9           HA       LEU   9   1.101  -5.319   4.209
   71   1HB   LEU   9          HB2       LEU   9  -1.077  -7.080   5.202
   72   2HB   LEU   9          HB1       LEU   9  -1.557  -5.641   4.325
   73    HG   LEU   9           HG       LEU   9   0.368  -7.685   3.225
   74   1HD1  LEU   9          HD11      LEU   9  -2.401  -7.470   2.202
   75   2HD1  LEU   9          HD12      LEU   9  -2.169  -8.304   3.737
   76   3HD1  LEU   9          HD13      LEU   9  -1.328  -8.867   2.293
   77   1HD2  LEU   9          HD21      LEU   9  -0.703  -6.473   1.099
   78   2HD2  LEU   9          HD22      LEU   9   0.752  -5.884   1.905
   79   3HD2  LEU   9          HD23      LEU   9  -0.813  -5.150   2.261
   80    H    GLU  10           HN       GLU  10  -0.261  -5.443   7.445
   81    HA   GLU  10           HA       GLU  10  -1.715  -3.079   7.499
   82   1HB   GLU  10          HB2       GLU  10  -0.201  -4.574   9.624
   83   2HB   GLU  10          HB1       GLU  10  -1.062  -3.087   9.994
   84   1HG   GLU  10          HG2       GLU  10  -2.520  -5.247   8.570
   85   2HG   GLU  10          HG1       GLU  10  -2.185  -5.444  10.290
   86    H    ASP  11           HN       ASP  11   1.749  -3.604   7.896
   87    HA   ASP  11           HA       ASP  11   2.556  -1.149   8.866
   88   1HB   ASP  11          HB2       ASP  11   3.869  -3.061   6.944
   89   2HB   ASP  11          HB1       ASP  11   4.668  -1.575   7.451
   90    H    LEU  12           HN       LEU  12   2.198  -2.076   5.452
   91    HA   LEU  12           HA       LEU  12   2.825   0.364   4.309
   92   1HB   LEU  12          HB2       LEU  12   2.483  -0.798   2.443
   93   2HB   LEU  12          HB1       LEU  12   1.920  -2.129   3.425
   94    HG   LEU  12           HG       LEU  12  -0.179  -0.156   2.833
   95   1HD1  LEU  12          HD11      LEU  12   0.447   0.173   0.703
   96   2HD1  LEU  12          HD12      LEU  12  -0.272  -1.419   0.472
   97   3HD1  LEU  12          HD13      LEU  12   1.473  -1.262   0.666
   98   1HD2  LEU  12          HD21      LEU  12  -1.128  -2.048   3.621
   99   2HD2  LEU  12          HD22      LEU  12   0.193  -3.069   3.057
  100   3HD2  LEU  12          HD23      LEU  12  -1.049  -2.534   1.928
  101    H    GLN  13           HN       GLN  13  -0.433  -0.899   5.032
  102    HA   GLN  13           HA       GLN  13  -1.885   1.351   4.348
  103   1HB   GLN  13          HB2       GLN  13  -2.919  -0.799   4.933
  104   2HB   GLN  13          HB1       GLN  13  -2.442  -0.582   6.612
  105   1HG   GLN  13          HG2       GLN  13  -3.865   1.420   6.732
  106   2HG   GLN  13          HG1       GLN  13  -4.379   1.130   5.072
  107   1HE2  GLN  13          HE21      GLN  13  -4.757   0.269   8.366
  108   2HE2  GLN  13          HE22      GLN  13  -6.026  -0.884   8.154
  109    H    GLU  14           HN       GLU  14  -0.110   0.666   7.307
  110    HA   GLU  14           HA       GLU  14  -1.056   3.012   8.681
  111   1HB   GLU  14          HB2       GLU  14   0.653   0.724   9.278
  112   2HB   GLU  14          HB1       GLU  14   1.310   2.225   9.917
  113   1HG   GLU  14          HG2       GLU  14  -0.004   1.311  11.632
  114   2HG   GLU  14          HG1       GLU  14  -0.953   2.632  10.951
  115    H    VAL  15           HN       VAL  15   1.596   2.157   6.598
  116    HA   VAL  15           HA       VAL  15   3.247   4.369   7.144
  117    HB   VAL  15           HB       VAL  15   3.664   2.182   5.715
  118   1HG1  VAL  15          HG11      VAL  15   2.794   2.179   3.674
  119   2HG1  VAL  15          HG12      VAL  15   3.893   3.489   3.269
  120   3HG1  VAL  15          HG13      VAL  15   2.260   3.849   3.819
  121   1HG2  VAL  15          HG21      VAL  15   5.686   3.147   4.943
  122   2HG2  VAL  15          HG22      VAL  15   5.281   3.899   6.486
  123   3HG2  VAL  15          HG23      VAL  15   4.996   4.775   4.979
  124    H    LEU  16           HN       LEU  16   0.327   3.982   5.340
  125    HA   LEU  16           HA       LEU  16   0.524   6.282   3.713
  126   1HB   LEU  16          HB2       LEU  16  -1.775   4.625   4.701
  127   2HB   LEU  16          HB1       LEU  16  -2.066   6.109   3.815
  128    HG   LEU  16           HG       LEU  16  -2.212   4.355   2.234
  129   1HD1  LEU  16          HD11      LEU  16  -0.916   6.312   1.488
  130   2HD1  LEU  16          HD12      LEU  16  -0.433   4.823   0.674
  131   3HD1  LEU  16          HD13      LEU  16   0.566   5.486   1.965
  132   1HD2  LEU  16          HD21      LEU  16  -0.828   2.520   2.072
  133   2HD2  LEU  16          HD22      LEU  16  -0.886   2.793   3.812
  134   3HD2  LEU  16          HD23      LEU  16   0.512   3.328   2.883
  135    H    LYS  17           HN       LYS  17  -0.447   5.711   7.026
  136    HA   LYS  17           HA       LYS  17  -1.850   7.943   7.734
  137   1HB   LYS  17          HB2       LYS  17  -1.233   6.141   9.303
  138   2HB   LYS  17          HB1       LYS  17   0.427   6.723   9.309
  139   1HG   LYS  17          HG2       LYS  17  -1.073   8.959   9.961
  140   2HG   LYS  17          HG1       LYS  17  -1.863   7.636  10.822
  141   1HD   LYS  17          HD2       LYS  17  -0.290   7.914  12.386
  142   2HD   LYS  17          HD1       LYS  17   0.816   7.148  11.244
  143   1HE   LYS  17          HE2       LYS  17   1.784   9.210  12.039
  144   2HE   LYS  17          HE1       LYS  17   1.363   9.379  10.334
  145   1HZ   LYS  17          HZ1       LYS  17  -0.537  10.653  10.891
  146   2HZ   LYS  17          HZ2       LYS  17   0.751  11.305  11.772
  147   3HZ   LYS  17          HZ3       LYS  17  -0.383  10.314  12.542
  148    H    ASN  18           HN       ASN  18   1.575   7.668   7.090
  149    HA   ASN  18           HA       ASN  18   2.190  10.389   7.824
  150   1HB   ASN  18          HB2       ASN  18   3.700   8.157   6.485
  151   2HB   ASN  18          HB1       ASN  18   4.354   9.793   6.492
  152   1HD2  ASN  18          HD21      ASN  18   3.834  10.753   8.903
  153   2HD2  ASN  18          HD22      ASN  18   4.559   9.792  10.141
  154    H    LEU  19           HN       LEU  19   1.897   8.571   4.818
  155    HA   LEU  19           HA       LEU  19   2.464  10.389   2.899
  156   1HB   LEU  19          HB2       LEU  19   1.904   8.502   1.846
  157   2HB   LEU  19          HB1       LEU  19   0.845   8.007   3.144
  158    HG   LEU  19           HG       LEU  19  -0.212  10.074   1.303
  159   1HD1  LEU  19          HD11      LEU  19   0.538   8.800  -0.444
  160   2HD1  LEU  19          HD12      LEU  19  -0.980   7.987  -0.098
  161   3HD1  LEU  19          HD13      LEU  19   0.538   7.312   0.490
  162   1HD2  LEU  19          HD21      LEU  19  -1.158   7.976   3.112
  163   2HD2  LEU  19          HD22      LEU  19  -2.059   8.125   1.609
  164   3HD2  LEU  19          HD23      LEU  19  -1.890   9.519   2.676
  165    H    HIS  20           HN       HIS  20  -0.700  10.058   4.477
  166    HA   HIS  20           HA       HIS  20  -2.178  11.907   3.115
  167   1HB   HIS  20          HB2       HIS  20  -2.237  11.540   6.114
  168   2HB   HIS  20          HB1       HIS  20  -3.552  12.129   5.101
  169    HD1  HIS  20           HD1      HIS  20  -2.120   9.119   6.519
  170    HD2  HIS  20           HD2      HIS  20  -4.614  10.050   3.353
  171    HE1  HIS  20           HE1      HIS  20  -3.251   6.956   5.909
  172    HE2  HIS  20           HE2      HIS  20  -4.861   7.579   4.073
  173    H    LYS  21           HN       LYS  21   0.113  12.570   5.728
  174    HA   LYS  21           HA       LYS  21  -0.515  15.395   5.691
  175   1HB   LYS  21          HB2       LYS  21   1.775  14.202   7.205
  176   2HB   LYS  21          HB1       LYS  21   0.776  15.590   7.616
  177   1HG   LYS  21          HG2       LYS  21  -0.261  12.771   7.554
  178   2HG   LYS  21          HG1       LYS  21   0.406  13.534   8.997
  179   1HD   LYS  21          HD2       LYS  21  -1.909  13.866   9.186
  180   2HD   LYS  21          HD1       LYS  21  -1.291  15.405   8.582
  181   1HE   LYS  21          HE2       LYS  21  -2.229  15.118   6.500
  182   2HE   LYS  21          HE1       LYS  21  -2.179  13.362   6.607
  183   1HZ   LYS  21          HZ1       LYS  21  -4.186  13.279   7.559
  184   2HZ   LYS  21          HZ2       LYS  21  -4.391  14.831   6.920
  185   3HZ   LYS  21          HZ3       LYS  21  -3.914  14.637   8.532
  186    H    ASN  22           HN       ASN  22   1.174  13.701   3.542
  187    HA   ASN  22           HA       ASN  22   2.794  16.002   2.890
  188   1HB   ASN  22          HB2       ASN  22   4.040  13.348   3.585
  189   2HB   ASN  22          HB1       ASN  22   4.877  14.589   2.656
  190   1HD2  ASN  22          HD21      ASN  22   4.142  13.448   5.724
  191   2HD2  ASN  22          HD22      ASN  22   4.706  14.799   6.641
  192    H    TRP  23           HN       TRP  23   0.592  14.185   1.764
  193    HA   TRP  23           HA       TRP  23   1.871  13.222  -0.656
  194   1HB   TRP  23          HB2       TRP  23   0.018  11.956  -1.006
  195   2HB   TRP  23          HB1       TRP  23  -0.225  12.233   0.710
  196    HD1  TRP  23           HD1      TRP  23  -2.487  13.216   1.345
  197    HE1  TRP  23           HE1      TRP  23  -4.426  14.348   0.128
  198    HE3  TRP  23           HE3      TRP  23  -0.383  13.483  -3.237
  199    HZ2  TRP  23           HZ2      TRP  23  -4.995  15.212  -2.532
  200    HZ3  TRP  23           HZ3      TRP  23  -1.667  14.420  -5.079
  201    HH2  TRP  23           HH2      TRP  23  -3.932  15.287  -4.748
  202    H    HIS  24           HN       HIS  24  -0.133  15.859   0.436
  203    HA   HIS  24           HA       HIS  24   0.640  17.588  -1.624
  204   1HB   HIS  24          HB2       HIS  24  -0.759  16.226  -3.076
  205   2HB   HIS  24          HB1       HIS  24  -2.115  16.390  -1.970
  206    HD1  HIS  24           HD1      HIS  24  -1.247  17.565  -5.089
  207    HD2  HIS  24           HD2      HIS  24  -2.464  19.508  -1.626
  208    HE1  HIS  24           HE1      HIS  24  -2.131  19.793  -5.845
  209    HE2  HIS  24           HE2      HIS  24  -2.948  20.912  -3.742
  210    H    GLY  25           HN       GLY  25  -2.190  16.807   0.401
  211   1HA   GLY  25          HA2       GLY  25  -1.931  18.697   2.323
  212   2HA   GLY  25          HA1       GLY  25  -2.642  19.597   0.994
  213    H    GLY  26           HN       GLY  26  -3.457  18.374   3.779
  214   1HA   GLY  26          HA2       GLY  26  -5.444  17.768   4.743
  215   2HA   GLY  26          HA1       GLY  26  -6.215  18.299   3.257
  216    H    LYS  27           HN       LYS  27  -5.891  15.747   5.253
  217    HA   LYS  27           HA       LYS  27  -5.483  13.560   3.538
  218   1HB   LYS  27          HB2       LYS  27  -5.390  13.361   5.976
  219   2HB   LYS  27          HB1       LYS  27  -7.109  13.717   6.081
  220   1HG   LYS  27          HG2       LYS  27  -7.723  11.657   5.231
  221   2HG   LYS  27          HG1       LYS  27  -6.155  11.392   4.466
  222   1HD   LYS  27          HD2       LYS  27  -5.275  10.485   6.322
  223   2HD   LYS  27          HD1       LYS  27  -6.020  11.690   7.375
  224   1HE   LYS  27          HE2       LYS  27  -8.033  10.490   7.506
  225   2HE   LYS  27          HE1       LYS  27  -7.622   9.485   6.117
  226   1HZ   LYS  27          HZ1       LYS  27  -6.248   9.411   8.749
  227   2HZ   LYS  27          HZ2       LYS  27  -5.906   8.419   7.422
  228   3HZ   LYS  27          HZ3       LYS  27  -7.395   8.288   8.214
  229    H    ASP  28           HN       ASP  28  -8.130  15.709   3.856
  230    HA   ASP  28           HA       ASP  28 -10.343  14.197   3.247
  231   1HB   ASP  28          HB2       ASP  28 -10.327  16.653   3.719
  232   2HB   ASP  28          HB1       ASP  28  -9.734  16.921   2.083
  233    H    ASN  29           HN       ASN  29  -7.865  15.428   1.038
  234    HA   ASN  29           HA       ASN  29  -9.189  14.391  -1.298
  235   1HB   ASN  29          HB2       ASN  29  -7.549  16.389  -1.150
  236   2HB   ASN  29          HB1       ASN  29  -6.286  15.163  -1.172
  237   1HD2  ASN  29          HD21      ASN  29  -6.307  16.974  -3.141
  238   2HD2  ASN  29          HD22      ASN  29  -6.826  16.264  -4.629
  239    H    LEU  30           HN       LEU  30  -6.286  13.492   0.561
  240    HA   LEU  30           HA       LEU  30  -5.563  11.237  -0.914
  241   1HB   LEU  30          HB2       LEU  30  -4.375  12.418   1.070
  242   2HB   LEU  30          HB1       LEU  30  -5.315  11.343   2.074
  243    HG   LEU  30           HG       LEU  30  -3.007  10.543   1.653
  244   1HD1  LEU  30          HD11      LEU  30  -3.815   8.511   2.000
  245   2HD1  LEU  30          HD12      LEU  30  -4.362   8.395   0.335
  246   3HD1  LEU  30          HD13      LEU  30  -5.407   9.104   1.560
  247   1HD2  LEU  30          HD21      LEU  30  -3.835   9.885  -1.146
  248   2HD2  LEU  30          HD22      LEU  30  -2.219   9.890  -0.438
  249   3HD2  LEU  30          HD23      LEU  30  -3.046  11.413  -0.774
  250    H    HIS  31           HN       HIS  31  -8.069  11.728   1.462
  251    HA   HIS  31           HA       HIS  31  -8.670   9.218   2.339
  252   1HB   HIS  31          HB2       HIS  31  -9.935  11.656   2.413
  253   2HB   HIS  31          HB1       HIS  31 -11.062  10.686   1.472
  254    HD1  HIS  31           HD1      HIS  31 -10.055   8.076   3.292
  255    HD2  HIS  31           HD2      HIS  31 -11.892  11.602   4.499
  256    HE1  HIS  31           HE1      HIS  31 -11.150   7.545   5.492
  257    HE2  HIS  31           HE2      HIS  31 -12.177   9.717   6.247
  258    H    ASP  32           HN       ASP  32  -9.587  10.636  -0.781
  259    HA   ASP  32           HA       ASP  32 -11.044   8.360  -1.664
  260   1HB   ASP  32          HB2       ASP  32 -10.236  10.947  -2.757
  261   2HB   ASP  32          HB1       ASP  32 -10.211   9.661  -3.963
  262    H    VAL  33           HN       VAL  33  -7.720   9.234  -1.627
  263    HA   VAL  33           HA       VAL  33  -6.894   7.259  -3.564
  264    HB   VAL  33           HB       VAL  33  -5.579   9.360  -1.940
  265   1HG1  VAL  33          HG11      VAL  33  -3.334   8.459  -2.752
  266   2HG1  VAL  33          HG12      VAL  33  -4.163   6.910  -2.935
  267   3HG1  VAL  33          HG13      VAL  33  -4.058   7.668  -1.350
  268   1HG2  VAL  33          HG21      VAL  33  -6.365   9.695  -4.245
  269   2HG2  VAL  33          HG22      VAL  33  -5.218   8.463  -4.776
  270   3HG2  VAL  33          HG23      VAL  33  -4.631   9.967  -4.055
  271    H    ASP  34           HN       ASP  34  -6.106   7.767  -0.097
  272    HA   ASP  34           HA       ASP  34  -5.041   5.202   0.261
  273   1HB   ASP  34          HB2       ASP  34  -4.438   6.615   1.984
  274   2HB   ASP  34          HB1       ASP  34  -6.053   7.312   2.123
  275    H    ASN  35           HN       ASN  35  -8.313   6.294   0.011
  276    HA   ASN  35           HA       ASN  35  -9.630   4.207   1.373
  277   1HB   ASN  35          HB2       ASN  35 -10.363   6.216  -0.664
  278   2HB   ASN  35          HB1       ASN  35 -11.304   4.732  -0.736
  279   1HD2  ASN  35          HD21      ASN  35  -9.928   6.160   2.165
  280   2HD2  ASN  35          HD22      ASN  35 -11.436   6.527   2.920
  281    H    HIS  36           HN       HIS  36  -8.349   4.555  -1.877
  282    HA   HIS  36           HA       HIS  36  -9.199   2.063  -2.906
  283   1HB   HIS  36          HB2       HIS  36  -7.132   4.098  -3.629
  284   2HB   HIS  36          HB1       HIS  36  -6.957   2.485  -4.315
  285    HD1  HIS  36           HD1      HIS  36 -10.457   2.971  -4.045
  286    HD2  HIS  36           HD2      HIS  36  -7.529   4.370  -6.640
  287    HE1  HIS  36           HE1      HIS  36 -11.687   3.720  -6.105
  288    HE2  HIS  36           HE2      HIS  36  -9.905   4.662  -7.617
  289    H    LEU  37           HN       LEU  37  -6.195   3.182  -1.396
  290    HA   LEU  37           HA       LEU  37  -4.811   0.748  -1.367
  291   1HB   LEU  37          HB2       LEU  37  -4.038   3.109  -0.684
  292   2HB   LEU  37          HB1       LEU  37  -4.692   2.729   0.891
  293    HG   LEU  37           HG       LEU  37  -2.560   2.111   1.279
  294   1HD1  LEU  37          HD11      LEU  37  -3.791   0.046   1.537
  295   2HD1  LEU  37          HD12      LEU  37  -2.167  -0.284   0.936
  296   3HD1  LEU  37          HD13      LEU  37  -3.543  -0.340  -0.166
  297   1HD2  LEU  37          HD21      LEU  37  -1.333   0.921  -0.832
  298   2HD2  LEU  37          HD22      LEU  37  -1.251   2.643  -0.458
  299   3HD2  LEU  37          HD23      LEU  37  -2.418   2.052  -1.643
  300    H    GLN  38           HN       GLN  38  -6.402   2.188   1.474
  301    HA   GLN  38           HA       GLN  38  -6.394   0.028   3.143
  302   1HB   GLN  38          HB2       GLN  38  -8.156   2.400   2.852
  303   2HB   GLN  38          HB1       GLN  38  -8.738   1.098   3.880
  304   1HG   GLN  38          HG2       GLN  38  -6.366   1.264   4.947
  305   2HG   GLN  38          HG1       GLN  38  -6.372   2.873   4.227
  306   1HE2  GLN  38          HE21      GLN  38  -7.543   4.460   5.154
  307   2HE2  GLN  38          HE22      GLN  38  -8.491   4.265   6.585
  308    H    ASN  39           HN       ASN  39  -8.830   0.791   0.679
  309    HA   ASN  39           HA       ASN  39 -10.594  -1.317   1.276
  310   1HB   ASN  39          HB2       ASN  39 -11.138   0.619  -0.200
  311   2HB   ASN  39          HB1       ASN  39 -10.089  -0.068  -1.436
  312   1HD2  ASN  39          HD21      ASN  39 -11.127  -1.126  -2.946
  313   2HD2  ASN  39          HD22      ASN  39 -12.609  -1.994  -2.757
  314    H    VAL  40           HN       VAL  40  -7.580  -1.222  -0.453
  315    HA   VAL  40           HA       VAL  40  -7.914  -3.759  -1.748
  316    HB   VAL  40           HB       VAL  40  -5.469  -2.049  -1.278
  317   1HG1  VAL  40          HG11      VAL  40  -5.747  -4.761  -2.441
  318   2HG1  VAL  40          HG12      VAL  40  -4.411  -4.042  -1.544
  319   3HG1  VAL  40          HG13      VAL  40  -4.654  -3.631  -3.241
  320   1HG2  VAL  40          HG21      VAL  40  -7.517  -1.579  -2.957
  321   2HG2  VAL  40          HG22      VAL  40  -6.498  -2.584  -3.985
  322   3HG2  VAL  40          HG23      VAL  40  -5.853  -1.098  -3.287
  323    H    ILE  41           HN       ILE  41  -6.303  -2.591   1.182
  324    HA   ILE  41           HA       ILE  41  -4.898  -4.806   1.979
  325    HB   ILE  41           HB       ILE  41  -6.554  -3.117   3.855
  326   1HG1  ILE  41          HG12      ILE  41  -5.288  -1.594   2.508
  327   2HG1  ILE  41          HG11      ILE  41  -4.446  -1.745   4.046
  328   1HG2  ILE  41          HG21      ILE  41  -5.152  -3.807   5.567
  329   2HG2  ILE  41          HG22      ILE  41  -3.884  -4.323   4.456
  330   3HG2  ILE  41          HG23      ILE  41  -5.357  -5.278   4.618
  331   1HD1  ILE  41          HD11      ILE  41  -2.905  -3.364   2.981
  332   2HD1  ILE  41          HD12      ILE  41  -2.846  -1.750   2.273
  333   3HD1  ILE  41          HD13      ILE  41  -3.702  -3.047   1.440
  334    H    GLU  42           HN       GLU  42  -8.370  -4.262   2.200
  335    HA   GLU  42           HA       GLU  42  -8.903  -6.597   3.752
  336   1HB   GLU  42          HB2       GLU  42 -11.189  -6.080   3.494
  337   2HB   GLU  42          HB1       GLU  42 -10.383  -4.518   3.518
  338   1HG   GLU  42          HG2       GLU  42 -11.437  -4.025   1.642
  339   2HG   GLU  42          HG1       GLU  42 -10.456  -5.244   0.832
  340    H    ASP  43           HN       ASP  43  -8.542  -5.921   0.380
  341    HA   ASP  43           HA       ASP  43  -9.627  -8.484  -0.401
  342   1HB   ASP  43          HB2       ASP  43  -8.398  -6.180  -1.898
  343   2HB   ASP  43          HB1       ASP  43  -8.650  -7.733  -2.687
  344    H    ILE  44           HN       ILE  44  -6.553  -7.056   0.358
  345    HA   ILE  44           HA       ILE  44  -5.085  -9.286  -0.769
  346    HB   ILE  44           HB       ILE  44  -3.927  -7.129   0.975
  347   1HG1  ILE  44          HG12      ILE  44  -4.729  -7.066  -1.906
  348   2HG1  ILE  44          HG11      ILE  44  -4.804  -5.790  -0.700
  349   1HG2  ILE  44          HG21      ILE  44  -2.460  -8.427  -1.247
  350   2HG2  ILE  44          HG22      ILE  44  -2.786  -9.398   0.189
  351   3HG2  ILE  44          HG23      ILE  44  -1.883  -7.890   0.330
  352   1HD1  ILE  44          HD11      ILE  44  -2.299  -6.794  -2.032
  353   2HD1  ILE  44          HD12      ILE  44  -2.396  -5.489  -0.850
  354   3HD1  ILE  44          HD13      ILE  44  -3.158  -5.307  -2.429
  355    H    HIS  45           HN       HIS  45  -5.565  -7.898   2.477
  356    HA   HIS  45           HA       HIS  45  -4.240  -9.963   3.843
  357   1HB   HIS  45          HB2       HIS  45  -4.776  -8.828   5.739
  358   2HB   HIS  45          HB1       HIS  45  -5.192  -7.561   4.590
  359    HD1  HIS  45           HD1      HIS  45  -6.462  -8.580   7.546
  360    HD2  HIS  45           HD2      HIS  45  -8.177  -8.448   3.765
  361    HE1  HIS  45           HE1      HIS  45  -8.946  -8.519   7.940
  362    HE2  HIS  45           HE2      HIS  45  -9.958  -8.326   5.640
  363    H    ASP  46           HN       ASP  46  -7.484  -9.739   2.571
  364    HA   ASP  46           HA       ASP  46  -8.389 -12.061   4.074
  365   1HB   ASP  46          HB2       ASP  46  -9.895 -10.110   3.498
  366   2HB   ASP  46          HB1       ASP  46  -9.819 -10.642   1.821
  367    H    PHE  47           HN       PHE  47  -7.433 -11.198   0.813
  368    HA   PHE  47           HA       PHE  47  -8.011 -13.830  -0.216
  369   1HB   PHE  47          HB2       PHE  47  -6.569 -11.460  -1.390
  370   2HB   PHE  47          HB1       PHE  47  -6.693 -12.997  -2.231
  371    HD1  PHE  47           HD1      PHE  47  -9.314 -11.384  -0.151
  372    HD2  PHE  47           HD2      PHE  47  -8.017 -12.424  -4.066
  373    HE1  PHE  47           HE1      PHE  47 -11.509 -10.739  -1.045
  374    HE2  PHE  47           HE2      PHE  47 -10.210 -11.779  -4.969
  375    HZ   PHE  47           HZ       PHE  47 -11.960 -10.934  -3.457
  376    H    MET  48           HN       MET  48  -5.323 -12.305   1.338
  377    HA   MET  48           HA       MET  48  -3.159 -13.770   0.419
  378   1HB   MET  48          HB2       MET  48  -3.541 -11.939   2.420
  379   2HB   MET  48          HB1       MET  48  -3.199 -13.396   3.338
  380   1HG   MET  48          HG2       MET  48  -1.118 -12.426   3.059
  381   2HG   MET  48          HG1       MET  48  -1.170 -13.657   1.799
  382   1HE   MET  48          HE1       MET  48  -0.704 -13.470  -0.265
  383   2HE   MET  48          HE2       MET  48  -0.230 -12.041  -1.183
  384   3HE   MET  48          HE3       MET  48  -1.923 -12.532  -1.127
  385    H    GLN  49           HN       GLN  49  -5.655 -14.653   2.721
  386    HA   GLN  49           HA       GLN  49  -4.444 -17.092   3.547
  387   1HB   GLN  49          HB2       GLN  49  -6.984 -15.679   3.999
  388   2HB   GLN  49          HB1       GLN  49  -7.114 -17.433   4.054
  389   1HG   GLN  49          HG2       GLN  49  -5.311 -15.700   5.725
  390   2HG   GLN  49          HG1       GLN  49  -6.735 -16.588   6.265
  391   1HE2  GLN  49          HE21      GLN  49  -3.606 -16.622   6.608
  392   2HE2  GLN  49          HE22      GLN  49  -3.267 -18.315   6.635
  393    H    GLY  50           HN       GLY  50  -5.939 -16.175   0.678
  394   1HA   GLY  50          HA2       GLY  50  -5.744 -17.851  -1.121
  395   2HA   GLY  50          HA1       GLY  50  -6.462 -19.001   0.001
  396    H    GLY  51           HN       GLY  51  -7.721 -15.774  -0.008
  397   1HA   GLY  51          HA2       GLY  51 -10.254 -16.788  -1.014
  398   2HA   GLY  51          HA1       GLY  51  -9.965 -15.196  -0.326
  399    H    GLY  52           HN       GLY  52  -7.914 -16.476  -2.832
  400   1HA   GLY  52          HA2       GLY  52  -8.385 -16.139  -5.215
  401   2HA   GLY  52          HA1       GLY  52  -9.173 -14.635  -4.762
  402    H    SER  53           HN       SER  53  -6.204 -15.640  -3.241
  403    HA   SER  53           HA       SER  53  -4.893 -13.253  -4.221
  404   1HB   SER  53          HB2       SER  53  -4.566 -13.672  -1.906
  405   2HB   SER  53          HB1       SER  53  -4.123 -15.354  -2.193
  406    HG   SER  53           HG       SER  53  -2.635 -13.075  -3.008
  407    H    GLY  54           HN       GLY  54  -5.402 -15.224  -6.227
  408   1HA   GLY  54          HA2       GLY  54  -2.692 -16.223  -6.800
  409   2HA   GLY  54          HA1       GLY  54  -4.170 -16.868  -7.499
  410    H    GLY  55           HN       GLY  55  -5.289 -14.226  -8.079
  411   1HA   GLY  55          HA2       GLY  55  -3.401 -13.266 -10.128
  412   2HA   GLY  55          HA1       GLY  55  -5.042 -13.698 -10.581
  413    H    LYS  56           HN       LYS  56  -5.006 -12.366  -7.503
  414    HA   LYS  56           HA       LYS  56  -6.161  -9.890  -8.497
  415   1HB   LYS  56          HB2       LYS  56  -6.778  -9.506  -6.142
  416   2HB   LYS  56          HB1       LYS  56  -7.331 -11.072  -6.719
  417   1HG   LYS  56          HG2       LYS  56  -6.481 -11.711  -4.720
  418   2HG   LYS  56          HG1       LYS  56  -5.015 -11.850  -5.687
  419   1HD   LYS  56          HD2       LYS  56  -4.245 -10.647  -3.886
  420   2HD   LYS  56          HD1       LYS  56  -4.689  -9.345  -4.988
  421   1HE   LYS  56          HE2       LYS  56  -6.992 -10.052  -3.490
  422   2HE   LYS  56          HE1       LYS  56  -5.646  -9.853  -2.371
  423   1HZ   LYS  56          HZ1       LYS  56  -6.828  -7.881  -4.206
  424   2HZ   LYS  56          HZ2       LYS  56  -5.225  -7.709  -3.697
  425   3HZ   LYS  56          HZ3       LYS  56  -6.475  -7.728  -2.560
  426    H    LEU  57           HN       LEU  57  -3.444 -10.950  -6.525
  427    HA   LEU  57           HA       LEU  57  -2.530  -8.443  -5.713
  428   1HB   LEU  57          HB2       LEU  57  -1.757 -10.461  -4.675
  429   2HB   LEU  57          HB1       LEU  57  -1.044 -11.017  -6.177
  430    HG   LEU  57           HG       LEU  57   0.615  -9.228  -6.080
  431   1HD1  LEU  57          HD11      LEU  57   0.768  -7.699  -4.270
  432   2HD1  LEU  57          HD12      LEU  57  -0.529  -8.509  -3.391
  433   3HD1  LEU  57          HD13      LEU  57  -0.887  -7.619  -4.872
  434   1HD2  LEU  57          HD21      LEU  57   0.671 -11.499  -4.707
  435   2HD2  LEU  57          HD22      LEU  57   0.741 -10.373  -3.350
  436   3HD2  LEU  57          HD23      LEU  57   1.969 -10.309  -4.612
  437    H    GLN  58           HN       GLN  58  -2.563  -9.703  -8.866
  438    HA   GLN  58           HA       GLN  58  -0.197  -8.256  -9.697
  439   1HB   GLN  58          HB2       GLN  58  -0.720  -9.078 -11.955
  440   2HB   GLN  58          HB1       GLN  58  -0.672 -10.385 -10.781
  441   1HG   GLN  58          HG2       GLN  58  -2.565 -10.977 -11.849
  442   2HG   GLN  58          HG1       GLN  58  -3.273  -9.862 -10.684
  443   1HE2  GLN  58          HE21      GLN  58  -4.786 -10.247 -12.753
  444   2HE2  GLN  58          HE22      GLN  58  -4.718  -8.947 -13.887
  445    H    GLU  59           HN       GLU  59  -3.694  -8.064 -10.331
  446    HA   GLU  59           HA       GLU  59  -3.357  -5.480 -11.606
  447   1HB   GLU  59          HB2       GLU  59  -5.413  -7.535 -11.517
  448   2HB   GLU  59          HB1       GLU  59  -6.089  -5.931 -11.267
  449   1HG   GLU  59          HG2       GLU  59  -4.171  -6.241 -13.492
  450   2HG   GLU  59          HG1       GLU  59  -5.747  -7.008 -13.676
  451    H    MET  60           HN       MET  60  -4.445  -6.825  -8.573
  452    HA   MET  60           HA       MET  60  -5.583  -4.377  -7.613
  453   1HB   MET  60          HB2       MET  60  -6.277  -6.624  -6.784
  454   2HB   MET  60          HB1       MET  60  -4.702  -6.787  -6.017
  455   1HG   MET  60          HG2       MET  60  -5.947  -6.040  -4.259
  456   2HG   MET  60          HG1       MET  60  -5.346  -4.515  -4.899
  457   1HE   MET  60          HE1       MET  60  -9.602  -6.135  -5.642
  458   2HE   MET  60          HE2       MET  60  -8.502  -6.848  -4.462
  459   3HE   MET  60          HE3       MET  60  -8.131  -6.942  -6.183
  460    H    MET  61           HN       MET  61  -2.428  -5.886  -7.570
  461    HA   MET  61           HA       MET  61  -1.219  -4.545  -5.461
  462   1HB   MET  61          HB2       MET  61   0.214  -6.081  -6.367
  463   2HB   MET  61          HB1       MET  61  -0.273  -5.727  -8.018
  464   1HG   MET  61          HG2       MET  61   1.127  -3.817  -8.109
  465   2HG   MET  61          HG1       MET  61   1.440  -3.887  -6.377
  466   1HE   MET  61          HE1       MET  61   4.271  -4.027  -8.592
  467   2HE   MET  61          HE2       MET  61   2.718  -4.020  -9.428
  468   3HE   MET  61          HE3       MET  61   3.839  -5.362  -9.661
  469    H    LYS  62           HN       LYS  62  -1.822  -3.444  -8.765
  470    HA   LYS  62           HA       LYS  62  -0.408  -1.016  -8.597
  471   1HB   LYS  62          HB2       LYS  62  -2.004  -2.350 -10.508
  472   2HB   LYS  62          HB1       LYS  62  -2.716  -0.756 -10.295
  473   1HG   LYS  62          HG2       LYS  62  -1.192  -0.464 -12.020
  474   2HG   LYS  62          HG1       LYS  62  -0.334   0.137 -10.600
  475   1HD   LYS  62          HD2       LYS  62   1.017  -1.776 -10.468
  476   2HD   LYS  62          HD1       LYS  62  -0.047  -2.705 -11.527
  477   1HE   LYS  62          HE2       LYS  62   0.691  -1.597 -13.441
  478   2HE   LYS  62          HE1       LYS  62   1.353  -0.248 -12.518
  479   1HZ   LYS  62          HZ1       LYS  62   2.933  -2.019 -13.505
  480   2HZ   LYS  62          HZ2       LYS  62   2.475  -2.946 -12.168
  481   3HZ   LYS  62          HZ3       LYS  62   3.215  -1.443 -11.939
  482    H    GLU  63           HN       GLU  63  -3.475  -1.999  -7.340
  483    HA   GLU  63           HA       GLU  63  -4.628   0.583  -7.074
  484   1HB   GLU  63          HB2       GLU  63  -5.783  -1.722  -6.975
  485   2HB   GLU  63          HB1       GLU  63  -5.285  -1.741  -5.289
  486   1HG   GLU  63          HG2       GLU  63  -6.679  -0.002  -4.714
  487   2HG   GLU  63          HG1       GLU  63  -6.765   0.611  -6.365
  488    H    PHE  64           HN       PHE  64  -2.432  -1.302  -5.091
  489    HA   PHE  64           HA       PHE  64  -2.732   0.520  -2.858
  490   1HB   PHE  64          HB2       PHE  64  -1.440  -0.972  -1.595
  491   2HB   PHE  64          HB1       PHE  64  -2.338  -2.024  -2.680
  492    HD1  PHE  64           HD1      PHE  64  -1.210  -3.723  -3.688
  493    HD2  PHE  64           HD2      PHE  64   0.943  -0.227  -2.559
  494    HE1  PHE  64           HE1      PHE  64   0.884  -4.779  -4.416
  495    HE2  PHE  64           HE2      PHE  64   3.040  -1.280  -3.291
  496    HZ   PHE  64           HZ       PHE  64   3.008  -3.558  -4.221
  497    H    GLN  65           HN       GLN  65  -0.597  -0.060  -5.529
  498    HA   GLN  65           HA       GLN  65   1.470   1.705  -4.552
  499   1HB   GLN  65          HB2       GLN  65   1.932  -0.283  -6.009
  500   2HB   GLN  65          HB1       GLN  65   1.128   0.558  -7.327
  501   1HG   GLN  65          HG2       GLN  65   2.830   2.434  -6.882
  502   2HG   GLN  65          HG1       GLN  65   3.721   1.206  -5.985
  503   1HE2  GLN  65          HE21      GLN  65   5.134   0.064  -7.091
  504   2HE2  GLN  65          HE22      GLN  65   5.148  -0.158  -8.805
  505    H    GLN  66           HN       GLN  66  -1.302   1.859  -6.680
  506    HA   GLN  66           HA       GLN  66  -0.717   4.224  -8.054
  507   1HB   GLN  66          HB2       GLN  66  -2.559   2.760  -8.703
  508   2HB   GLN  66          HB1       GLN  66  -3.404   3.125  -7.205
  509   1HG   GLN  66          HG2       GLN  66  -3.289   5.576  -8.020
  510   2HG   GLN  66          HG1       GLN  66  -2.964   4.858  -9.597
  511   1HE2  GLN  66          HE21      GLN  66  -4.568   2.591  -9.395
  512   2HE2  GLN  66          HE22      GLN  66  -6.224   3.084  -9.383
  513    H    VAL  67           HN       VAL  67  -2.116   3.677  -4.872
  514    HA   VAL  67           HA       VAL  67  -3.064   6.214  -4.280
  515    HB   VAL  67           HB       VAL  67  -1.925   4.008  -2.595
  516   1HG1  VAL  67          HG11      VAL  67  -1.341   5.423  -0.973
  517   2HG1  VAL  67          HG12      VAL  67  -3.064   5.720  -0.756
  518   3HG1  VAL  67          HG13      VAL  67  -2.106   6.794  -1.771
  519   1HG2  VAL  67          HG21      VAL  67  -4.533   4.939  -3.453
  520   2HG2  VAL  67          HG22      VAL  67  -4.447   4.698  -1.709
  521   3HG2  VAL  67          HG23      VAL  67  -4.046   3.374  -2.802
  522    H    LEU  68           HN       LEU  68   0.211   4.918  -4.006
  523    HA   LEU  68           HA       LEU  68   1.355   7.281  -2.885
  524   1HB   LEU  68          HB2       LEU  68   2.309   4.685  -3.906
  525   2HB   LEU  68          HB1       LEU  68   3.459   6.010  -3.998
  526    HG   LEU  68           HG       LEU  68   2.583   6.331  -1.464
  527   1HD1  LEU  68          HD11      LEU  68   1.704   3.708  -2.229
  528   2HD1  LEU  68          HD12      LEU  68   1.466   4.570  -0.709
  529   3HD1  LEU  68          HD13      LEU  68   2.916   3.598  -0.954
  530   1HD2  LEU  68          HD21      LEU  68   4.796   6.197  -1.294
  531   2HD2  LEU  68          HD22      LEU  68   4.905   5.278  -2.795
  532   3HD2  LEU  68          HD23      LEU  68   4.648   4.440  -1.265
  533    H    ASP  69           HN       ASP  69   0.140   6.660  -5.945
  534    HA   ASP  69           HA       ASP  69   2.062   8.088  -7.509
  535   1HB   ASP  69          HB2       ASP  69   0.120   6.393  -8.210
  536   2HB   ASP  69          HB1       ASP  69  -0.788   7.893  -8.380
  537    H    GLU  70           HN       GLU  70  -1.229   8.840  -6.358
  538    HA   GLU  70           HA       GLU  70  -1.342  11.536  -7.070
  539   1HB   GLU  70          HB2       GLU  70  -3.062   9.864  -5.844
  540   2HB   GLU  70          HB1       GLU  70  -2.456  10.702  -4.418
  541   1HG   GLU  70          HG2       GLU  70  -4.579  11.583  -5.465
  542   2HG   GLU  70          HG1       GLU  70  -3.312  12.749  -5.117
  543    H    LEU  71           HN       LEU  71   0.013   9.885  -4.355
  544    HA   LEU  71           HA       LEU  71   0.753  12.161  -2.827
  545   1HB   LEU  71          HB2       LEU  71   0.317  10.226  -1.644
  546   2HB   LEU  71          HB1       LEU  71   1.200   9.222  -2.766
  547    HG   LEU  71           HG       LEU  71   3.181  10.812  -1.694
  548   1HD1  LEU  71          HD11      LEU  71   2.377  11.680   0.201
  549   2HD1  LEU  71          HD12      LEU  71   2.420  10.032   0.829
  550   3HD1  LEU  71          HD13      LEU  71   0.932  10.676   0.142
  551   1HD2  LEU  71          HD21      LEU  71   3.564   8.538  -2.065
  552   2HD2  LEU  71          HD22      LEU  71   2.158   8.058  -1.123
  553   3HD2  LEU  71          HD23      LEU  71   3.588   8.686  -0.307
  554    H    ASN  72           HN       ASN  72   2.902   9.649  -4.150
  555    HA   ASN  72           HA       ASN  72   5.264  11.023  -3.932
  556   1HB   ASN  72          HB2       ASN  72   6.233   9.385  -5.279
  557   2HB   ASN  72          HB1       ASN  72   4.797   8.575  -4.665
  558   1HD2  ASN  72          HD21      ASN  72   6.355   8.041  -7.061
  559   2HD2  ASN  72          HD22      ASN  72   5.254   8.163  -8.388
  560    H    ASN  73           HN       ASN  73   2.776  11.463  -6.309
  561    HA   ASN  73           HA       ASN  73   4.498  13.112  -7.979
  562   1HB   ASN  73          HB2       ASN  73   2.575  11.446  -8.724
  563   2HB   ASN  73          HB1       ASN  73   1.566  12.867  -8.475
  564   1HD2  ASN  73          HD21      ASN  73   3.700  11.269 -10.549
  565   2HD2  ASN  73          HD22      ASN  73   3.841  12.500 -11.753
  566    H    HIS  74           HN       HIS  74   3.327  13.748  -5.135
  567    HA   HIS  74           HA       HIS  74   2.879  16.543  -5.755
  568   1HB   HIS  74          HB2       HIS  74   0.750  14.776  -4.605
  569   2HB   HIS  74          HB1       HIS  74   0.807  16.487  -4.198
  570    HD1  HIS  74           HD1      HIS  74   0.818  18.120  -6.410
  571    HD2  HIS  74           HD2      HIS  74  -0.612  14.250  -6.895
  572    HE1  HIS  74           HE1      HIS  74  -0.529  18.162  -8.532
  573    HE2  HIS  74           HE2      HIS  74  -1.284  15.782  -8.866
  574    H    LEU  75           HN       LEU  75   4.838  14.826  -4.233
  575    HA   LEU  75           HA       LEU  75   4.680  15.095  -1.478
  576   1HB   LEU  75          HB2       LEU  75   6.812  14.884  -3.465
  577   2HB   LEU  75          HB1       LEU  75   7.300  15.843  -2.082
  578    HG   LEU  75           HG       LEU  75   7.984  13.659  -1.588
  579   1HD1  LEU  75          HD11      LEU  75   6.960  13.248   0.430
  580   2HD1  LEU  75          HD12      LEU  75   5.351  13.614  -0.191
  581   3HD1  LEU  75          HD13      LEU  75   6.489  14.922   0.134
  582   1HD2  LEU  75          HD21      LEU  75   5.239  12.651  -2.295
  583   2HD2  LEU  75          HD22      LEU  75   6.652  11.692  -1.855
  584   3HD2  LEU  75          HD23      LEU  75   6.634  12.588  -3.373
  585    H    GLN  76           HN       GLN  76   3.627  16.962  -0.818
  586    HA   GLN  76           HA       GLN  76   4.057  19.523  -1.810
  587   1HB   GLN  76          HB2       GLN  76   2.306  18.454  -0.057
  588   2HB   GLN  76          HB1       GLN  76   3.359  19.308   1.063
  589   1HG   GLN  76          HG2       GLN  76   1.426  20.646   0.375
  590   2HG   GLN  76          HG1       GLN  76   2.958  21.391  -0.076
  591   1HE2  GLN  76          HE21      GLN  76   2.915  22.283  -1.998
  592   2HE2  GLN  76          HE22      GLN  76   2.017  21.730  -3.366
  593    H    GLY  77           HN       GLY  77   5.236  18.251   1.316
  594   1HA   GLY  77          HA2       GLY  77   7.802  19.520   0.921
  595   2HA   GLY  77          HA1       GLY  77   6.816  20.270   2.168
  596    H    GLY  78           HN       GLY  78   6.764  16.839   1.471
  597   1HA   GLY  78          HA2       GLY  78   8.392  16.321   3.859
  598   2HA   GLY  78          HA1       GLY  78   6.766  15.665   3.786
  599    H    LYS  79           HN       LYS  79   9.361  15.895   1.356
  600    HA   LYS  79           HA       LYS  79   8.877  13.518   0.075
  601   1HB   LYS  79          HB2       LYS  79  11.220  13.571  -0.662
  602   2HB   LYS  79          HB1       LYS  79  10.474  15.161  -0.758
  603   1HG   LYS  79          HG2       LYS  79  11.819  16.040   0.830
  604   2HG   LYS  79          HG1       LYS  79  11.912  14.532   1.742
  605   1HD   LYS  79          HD2       LYS  79  13.299  15.007  -0.893
  606   2HD   LYS  79          HD1       LYS  79  14.064  15.228   0.682
  607   1HE   LYS  79          HE2       LYS  79  12.719  12.644   0.304
  608   2HE   LYS  79          HE1       LYS  79  14.108  12.918  -0.746
  609   1HZ   LYS  79          HZ1       LYS  79  15.443  13.398   1.214
  610   2HZ   LYS  79          HZ2       LYS  79  14.766  11.852   1.313
  611   3HZ   LYS  79          HZ3       LYS  79  14.109  13.121   2.218
  612    H    HIS  80           HN       HIS  80  10.377  14.022   3.166
  613    HA   HIS  80           HA       HIS  80  11.650  11.504   3.409
  614   1HB   HIS  80          HB2       HIS  80  11.597  12.023   5.876
  615   2HB   HIS  80          HB1       HIS  80  12.340  13.265   4.874
  616    HD1  HIS  80           HD1      HIS  80   9.355  12.601   7.023
  617    HD2  HIS  80           HD2      HIS  80  10.963  15.702   4.771
  618    HE1  HIS  80           HE1      HIS  80   8.051  14.651   7.673
  619    HE2  HIS  80           HE2      HIS  80   9.100  16.530   6.362
  620    H    THR  81           HN       THR  81   8.366  12.565   3.821
  621    HA   THR  81           HA       THR  81   7.463  10.397   5.419
  622    HB   THR  81           HB       THR  81   6.183  12.525   3.759
  623    HG1  THR  81           HG1      THR  81   5.866  11.621   6.424
  624   1HG2  THR  81          HG21      THR  81   3.968  11.399   4.758
  625   2HG2  THR  81          HG22      THR  81   4.884   9.943   4.346
  626   3HG2  THR  81          HG23      THR  81   4.532  11.153   3.101
  627    H    VAL  82           HN       VAL  82   6.504  11.061   2.084
  628    HA   VAL  82           HA       VAL  82   5.690   8.523   1.390
  629    HB   VAL  82           HB       VAL  82   7.144  10.372  -0.507
  630   1HG1  VAL  82          HG11      VAL  82   5.250   9.327  -2.003
  631   2HG1  VAL  82          HG12      VAL  82   5.306   8.043  -0.795
  632   3HG1  VAL  82          HG13      VAL  82   6.756   8.456  -1.711
  633   1HG2  VAL  82          HG21      VAL  82   4.805  11.233  -0.972
  634   2HG2  VAL  82          HG22      VAL  82   5.543  11.748   0.542
  635   3HG2  VAL  82          HG23      VAL  82   4.333  10.469   0.543
  636    H    HIS  83           HN       HIS  83   8.985   9.879   1.207
  637    HA   HIS  83           HA       HIS  83  10.289   7.844  -0.106
  638   1HB   HIS  83          HB2       HIS  83  11.413   9.900   0.639
  639   2HB   HIS  83          HB1       HIS  83  11.289   9.370   2.314
  640    HD1  HIS  83           HD1      HIS  83  12.170   6.682  -0.019
  641    HD2  HIS  83           HD2      HIS  83  14.178   9.517   2.260
  642    HE1  HIS  83           HE1      HIS  83  14.562   5.909   0.060
  643    HE2  HIS  83           HE2      HIS  83  15.776   7.692   1.362
  644    H    HIS  84           HN       HIS  84   9.324   8.014   3.279
  645    HA   HIS  84           HA       HIS  84  10.413   5.441   3.938
  646   1HB   HIS  84          HB2       HIS  84   8.626   7.391   5.379
  647   2HB   HIS  84          HB1       HIS  84   8.959   5.793   6.039
  648    HD1  HIS  84           HD1      HIS  84  10.058   9.072   6.466
  649    HD2  HIS  84           HD2      HIS  84  12.050   5.462   5.953
  650    HE1  HIS  84           HE1      HIS  84  12.374   9.448   7.371
  651    HE2  HIS  84           HE2      HIS  84  13.544   7.233   7.102
  652    H    ILE  85           HN       ILE  85   7.381   6.671   2.752
  653    HA   ILE  85           HA       ILE  85   5.994   4.199   3.319
  654    HB   ILE  85           HB       ILE  85   4.084   5.321   3.126
  655   1HG1  ILE  85          HG12      ILE  85   4.691   7.047   0.801
  656   2HG1  ILE  85          HG11      ILE  85   4.561   5.317   0.515
  657   1HG2  ILE  85          HG21      ILE  85   5.954   7.614   2.965
  658   2HG2  ILE  85          HG22      ILE  85   5.110   6.975   4.366
  659   3HG2  ILE  85          HG23      ILE  85   4.214   7.822   3.104
  660   1HD1  ILE  85          HD11      ILE  85   2.334   5.279   0.884
  661   2HD1  ILE  85          HD12      ILE  85   2.471   6.969   0.410
  662   3HD1  ILE  85          HD13      ILE  85   2.405   6.537   2.116
  663    H    GLU  86           HN       GLU  86   7.596   5.691   0.614
  664    HA   GLU  86           HA       GLU  86   6.524   3.863  -1.341
  665   1HB   GLU  86          HB2       GLU  86   8.480   4.783  -2.742
  666   2HB   GLU  86          HB1       GLU  86   7.201   5.898  -2.293
  667   1HG   GLU  86          HG2       GLU  86   8.614   7.219  -1.231
  668   2HG   GLU  86          HG1       GLU  86   9.296   5.875  -0.322
  669    H    GLN  87           HN       GLN  87   9.613   4.199   0.413
  670    HA   GLN  87           HA       GLN  87  10.835   1.928  -0.720
  671   1HB   GLN  87          HB2       GLN  87  11.224   3.288   1.951
  672   2HB   GLN  87          HB1       GLN  87  12.210   1.934   1.418
  673   1HG   GLN  87          HG2       GLN  87  12.087   4.717   0.328
  674   2HG   GLN  87          HG1       GLN  87  13.482   3.806   0.897
  675   1HE2  GLN  87          HE21      GLN  87  11.082   4.005  -1.669
  676   2HE2  GLN  87          HE22      GLN  87  12.066   3.298  -2.900
  677    H    ASN  88           HN       ASN  88   8.439   2.378   1.727
  678    HA   ASN  88           HA       ASN  88   8.588  -0.326   2.730
  679   1HB   ASN  88          HB2       ASN  88   7.099   2.140   3.398
  680   2HB   ASN  88          HB1       ASN  88   6.229   0.635   3.685
  681   1HD2  ASN  88          HD21      ASN  88   9.395   2.128   4.245
  682   2HD2  ASN  88          HD22      ASN  88   9.628   1.447   5.815
  683    H    ILE  89           HN       ILE  89   6.083   1.607   1.054
  684    HA   ILE  89           HA       ILE  89   4.431  -0.585   0.475
  685    HB   ILE  89           HB       ILE  89   4.387   2.225  -0.108
  686   1HG1  ILE  89          HG12      ILE  89   1.965   0.758  -0.694
  687   2HG1  ILE  89          HG11      ILE  89   2.726   0.180   0.787
  688   1HG2  ILE  89          HG21      ILE  89   3.623   0.449  -2.423
  689   2HG2  ILE  89          HG22      ILE  89   4.868   1.699  -2.417
  690   3HG2  ILE  89          HG23      ILE  89   3.168   2.144  -2.260
  691   1HD1  ILE  89          HD11      ILE  89   1.223   2.595   0.321
  692   2HD1  ILE  89          HD12      ILE  89   2.820   2.963   0.976
  693   3HD1  ILE  89          HD13      ILE  89   1.741   1.868   1.841
  694    H    LYS  90           HN       LYS  90   6.869   1.046  -1.552
  695    HA   LYS  90           HA       LYS  90   6.434  -0.595  -3.777
  696   1HB   LYS  90          HB2       LYS  90   8.931   0.884  -2.922
  697   2HB   LYS  90          HB1       LYS  90   8.764   0.070  -4.468
  698   1HG   LYS  90          HG2       LYS  90   6.677   2.040  -3.743
  699   2HG   LYS  90          HG1       LYS  90   8.277   2.657  -4.159
  700   1HD   LYS  90          HD2       LYS  90   6.613   0.804  -5.864
  701   2HD   LYS  90          HD1       LYS  90   6.795   2.540  -6.117
  702   1HE   LYS  90          HE2       LYS  90   8.442   1.896  -7.515
  703   2HE   LYS  90          HE1       LYS  90   9.383   1.798  -6.027
  704   1HZ   LYS  90          HZ1       LYS  90   7.915  -0.602  -6.550
  705   2HZ   LYS  90          HZ2       LYS  90   9.564  -0.396  -6.230
  706   3HZ   LYS  90          HZ3       LYS  90   8.982  -0.224  -7.808
  707    H    GLU  91           HN       GLU  91   8.165  -1.059  -0.824
  708    HA   GLU  91           HA       GLU  91   9.445  -3.499  -1.766
  709   1HB   GLU  91          HB2       GLU  91  10.700  -1.982  -0.279
  710   2HB   GLU  91          HB1       GLU  91   9.478  -2.201   0.966
  711   1HG   GLU  91          HG2       GLU  91  10.312  -4.169   1.616
  712   2HG   GLU  91          HG1       GLU  91  10.621  -4.697  -0.038
  713    H    ILE  92           HN       ILE  92   6.440  -2.659  -0.777
  714    HA   ILE  92           HA       ILE  92   5.860  -4.830   0.994
  715    HB   ILE  92           HB       ILE  92   4.510  -2.452   0.110
  716   1HG1  ILE  92          HG12      ILE  92   3.319  -2.722   2.197
  717   2HG1  ILE  92          HG11      ILE  92   3.800  -4.413   2.293
  718   1HG2  ILE  92          HG21      ILE  92   3.194  -3.928  -1.323
  719   2HG2  ILE  92          HG22      ILE  92   2.222  -3.269  -0.008
  720   3HG2  ILE  92          HG23      ILE  92   2.804  -4.932   0.074
  721   1HD1  ILE  92          HD11      ILE  92   5.326  -1.965   2.904
  722   2HD1  ILE  92          HD12      ILE  92   6.218  -3.293   2.162
  723   3HD1  ILE  92          HD13      ILE  92   5.354  -3.548   3.679
  724    H    PHE  93           HN       PHE  93   5.306  -3.999  -2.389
  725    HA   PHE  93           HA       PHE  93   3.811  -6.212  -3.167
  726   1HB   PHE  93          HB2       PHE  93   4.117  -5.433  -5.287
  727   2HB   PHE  93          HB1       PHE  93   4.782  -4.032  -4.448
  728    HD1  PHE  93           HD1      PHE  93   5.351  -6.012  -7.141
  729    HD2  PHE  93           HD2      PHE  93   7.359  -4.609  -3.667
  730    HE1  PHE  93           HE1      PHE  93   7.515  -6.385  -8.247
  731    HE2  PHE  93           HE2      PHE  93   9.521  -4.982  -4.757
  732    HZ   PHE  93           HZ       PHE  93   9.611  -5.863  -7.060
  733    H    HIS  94           HN       HIS  94   7.185  -5.902  -2.393
  734    HA   HIS  94           HA       HIS  94   8.191  -8.176  -3.704
  735   1HB   HIS  94          HB2       HIS  94   9.434  -6.232  -2.474
  736   2HB   HIS  94          HB1       HIS  94   9.267  -7.262  -1.055
  737    HD1  HIS  94           HD1      HIS  94  11.893  -6.443  -2.904
  738    HD2  HIS  94           HD2      HIS  94  10.027 -10.131  -2.478
  739    HE1  HIS  94           HE1      HIS  94  13.632  -8.152  -3.521
  740    HE2  HIS  94           HE2      HIS  94  12.454 -10.371  -3.341
  741    H    HIS  95           HN       HIS  95   7.341  -7.756  -0.282
  742    HA   HIS  95           HA       HIS  95   7.414 -10.530   0.294
  743   1HB   HIS  95          HB2       HIS  95   5.992  -8.311   1.781
  744   2HB   HIS  95          HB1       HIS  95   6.366  -9.908   2.419
  745    HD1  HIS  95           HD1      HIS  95   7.458  -7.763   4.077
  746    HD2  HIS  95           HD2      HIS  95   9.501  -9.132   0.728
  747    HE1  HIS  95           HE1      HIS  95   9.859  -7.112   4.442
  748    HE2  HIS  95           HE2      HIS  95  11.060  -7.871   2.361
  749    H    LEU  96           HN       LEU  96   5.216  -8.638  -1.438
  750    HA   LEU  96           HA       LEU  96   2.896 -10.260  -0.744
  751   1HB   LEU  96          HB2       LEU  96   3.310  -7.890  -2.542
  752   2HB   LEU  96          HB1       LEU  96   1.796  -8.783  -2.509
  753    HG   LEU  96           HG       LEU  96   3.074  -7.308  -0.229
  754   1HD1  LEU  96          HD11      LEU  96   1.047  -5.914  -0.354
  755   2HD1  LEU  96          HD12      LEU  96   0.524  -6.827  -1.770
  756   3HD1  LEU  96          HD13      LEU  96   1.990  -5.847  -1.842
  757   1HD2  LEU  96          HD21      LEU  96   1.098  -7.898   1.076
  758   2HD2  LEU  96          HD22      LEU  96   2.000  -9.336   0.585
  759   3HD2  LEU  96          HD23      LEU  96   0.516  -8.895  -0.262
  760    H    GLU  97           HN       GLU  97   4.646  -9.410  -3.712
  761    HA   GLU  97           HA       GLU  97   3.434 -11.411  -5.291
  762   1HB   GLU  97          HB2       GLU  97   5.854  -9.669  -5.578
  763   2HB   GLU  97          HB1       GLU  97   5.610 -10.997  -6.704
  764   1HG   GLU  97          HG2       GLU  97   3.172  -9.835  -6.768
  765   2HG   GLU  97          HG1       GLU  97   4.199  -8.435  -6.461
  766    H    GLU  98           HN       GLU  98   5.683 -11.638  -2.775
  767    HA   GLU  98           HA       GLU  98   7.097 -13.927  -3.858
  768   1HB   GLU  98          HB2       GLU  98   8.429 -13.885  -1.960
  769   2HB   GLU  98          HB1       GLU  98   7.999 -12.194  -2.147
  770   1HG   GLU  98          HG2       GLU  98   6.328 -12.389  -0.419
  771   2HG   GLU  98          HG1       GLU  98   6.631 -14.118  -0.279
  772    H    LEU  99           HN       LEU  99   4.300 -13.319  -1.901
  773    HA   LEU  99           HA       LEU  99   4.056 -15.906  -0.749
  774   1HB   LEU  99          HB2       LEU  99   1.823 -13.978  -1.357
  775   2HB   LEU  99          HB1       LEU  99   1.836 -15.236  -0.138
  776    HG   LEU  99           HG       LEU  99   3.948 -13.195   0.110
  777   1HD1  LEU  99          HD11      LEU  99   2.630 -11.419   0.747
  778   2HD1  LEU  99          HD12      LEU  99   1.230 -12.435   1.077
  779   3HD1  LEU  99          HD13      LEU  99   1.685 -12.075  -0.588
  780   1HD2  LEU  99          HD21      LEU  99   3.526 -15.086   1.697
  781   2HD2  LEU  99          HD22      LEU  99   2.005 -14.302   2.127
  782   3HD2  LEU  99          HD23      LEU  99   3.535 -13.487   2.437
  783    H    VAL 100           HN       VAL 100   2.098 -14.359  -3.278
  784    HA   VAL 100           HA       VAL 100   0.845 -16.702  -4.155
  785    HB   VAL 100           HB       VAL 100   1.428 -14.276  -5.849
  786   1HG1  VAL 100          HG11      VAL 100  -0.891 -16.198  -5.933
  787   2HG1  VAL 100          HG12      VAL 100   0.520 -16.290  -6.987
  788   3HG1  VAL 100          HG13      VAL 100  -0.547 -14.888  -7.063
  789   1HG2  VAL 100          HG21      VAL 100   0.466 -13.328  -3.964
  790   2HG2  VAL 100          HG22      VAL 100  -0.557 -14.732  -3.655
  791   3HG2  VAL 100          HG23      VAL 100  -0.933 -13.639  -4.990
  792    H    HIS 101           HN       HIS 101   3.973 -15.385  -4.857
  793    HA   HIS 101           HA       HIS 101   4.397 -17.084  -7.163
  794   1HB   HIS 101          HB2       HIS 101   5.398 -14.835  -7.095
  795   2HB   HIS 101          HB1       HIS 101   6.328 -15.293  -5.672
  796    HD1  HIS 101           HD1      HIS 101   8.376 -16.823  -6.037
  797    HD2  HIS 101           HD2      HIS 101   6.355 -15.839  -9.531
  798    HE1  HIS 101           HE1      HIS 101   9.903 -17.509  -7.913
  799    HE2  HIS 101           HE2      HIS 101   8.618 -16.990 -10.018
  800    H    ARG 102           HN       ARG 102   5.271 -16.985  -3.750
  801    HA   ARG 102           HA       ARG 102   6.792 -19.478  -4.086
  802   1HB   ARG 102          HB2       ARG 102   7.631 -17.352  -2.788
  803   2HB   ARG 102          HB1       ARG 102   6.639 -18.002  -1.489
  804   1HG   ARG 102          HG2       ARG 102   7.903 -20.139  -1.684
  805   2HG   ARG 102          HG1       ARG 102   8.968 -19.341  -2.844
  806   1HD   ARG 102          HD2       ARG 102   8.776 -17.648  -0.591
  807   2HD   ARG 102          HD1       ARG 102   9.047 -19.282   0.013
  808    HE   ARG 102           HE       ARG 102  10.802 -18.531  -2.139
  809   1HH1  ARG 102          HH11      ARG 102  10.314 -18.461   1.317
  810   2HH1  ARG 102          HH12      ARG 102  12.000 -18.309   1.677
  811   1HH2  ARG 102          HH21      ARG 102  13.020 -18.330  -1.666
  812   2HH2  ARG 102          HH22      ARG 102  13.537 -18.233  -0.015
  Start of MODEL   15
    1   1H    MET   1           HT1      MET   1  -3.260 -19.909   4.616
    2   2H    MET   1           HT2      MET   1  -3.527 -21.605   4.607
    3   3H    MET   1           HT3      MET   1  -2.893 -20.827   3.214
    4    HA   MET   1           HA       MET   1  -1.611 -21.337   5.799
    5   1HB   MET   1          HB2       MET   1  -1.495 -22.343   3.058
    6   2HB   MET   1          HB1       MET   1   0.088 -21.900   3.681
    7   1HG   MET   1          HG2       MET   1  -1.605 -23.497   5.485
    8   2HG   MET   1          HG1       MET   1  -1.043 -24.309   4.024
    9   1HE   MET   1          HE1       MET   1   1.141 -25.372   7.207
   10   2HE   MET   1          HE2       MET   1   0.592 -26.137   5.717
   11   3HE   MET   1          HE3       MET   1  -0.562 -25.297   6.752
   12    H    TYR   2           HN       TYR   2  -1.596 -19.322   2.908
   13    HA   TYR   2           HA       TYR   2   0.692 -17.814   3.954
   14   1HB   TYR   2          HB2       TYR   2  -0.634 -17.711   1.235
   15   2HB   TYR   2          HB1       TYR   2   0.785 -16.786   1.710
   16    HD1  TYR   2           HD1      TYR   2  -0.328 -20.363   1.774
   17    HD2  TYR   2           HD2      TYR   2   2.803 -17.598   0.956
   18    HE1  TYR   2           HE1      TYR   2   1.115 -22.218   1.057
   19    HE2  TYR   2           HE2      TYR   2   4.254 -19.447   0.237
   20    HH   TYR   2           HH       TYR   2   4.052 -21.731  -0.598
   21    H    GLY   3           HN       GLY   3  -0.699 -16.896   5.648
   22   1HA   GLY   3          HA2       GLY   3  -2.199 -14.582   4.603
   23   2HA   GLY   3          HA1       GLY   3  -2.833 -15.550   5.923
   24    H    LYS   4           HN       LYS   4   0.471 -15.423   6.252
   25    HA   LYS   4           HA       LYS   4   0.237 -13.498   8.403
   26   1HB   LYS   4          HB2       LYS   4   1.543 -15.654   8.611
   27   2HB   LYS   4          HB1       LYS   4   2.715 -14.967   7.494
   28   1HG   LYS   4          HG2       LYS   4   3.730 -14.384   9.422
   29   2HG   LYS   4          HG1       LYS   4   2.653 -12.992   9.279
   30   1HD   LYS   4          HD2       LYS   4   2.088 -15.493  10.873
   31   2HD   LYS   4          HD1       LYS   4   2.624 -13.949  11.541
   32   1HE   LYS   4          HE2       LYS   4   0.567 -12.928  10.484
   33   2HE   LYS   4          HE1       LYS   4   0.018 -14.574  10.171
   34   1HZ   LYS   4          HZ1       LYS   4  -0.927 -14.306  12.181
   35   2HZ   LYS   4          HZ2       LYS   4   0.162 -13.114  12.679
   36   3HZ   LYS   4          HZ3       LYS   4   0.604 -14.745  12.753
   37    H    LEU   5           HN       LEU   5   1.171 -13.494   5.129
   38    HA   LEU   5           HA       LEU   5   3.119 -11.512   5.090
   39   1HB   LEU   5          HB2       LEU   5   1.694 -12.874   3.178
   40   2HB   LEU   5          HB1       LEU   5   1.070 -11.245   2.999
   41    HG   LEU   5           HG       LEU   5   2.899 -11.540   1.470
   42   1HD1  LEU   5          HD11      LEU   5   3.876  -9.911   3.808
   43   2HD1  LEU   5          HD12      LEU   5   2.649  -9.369   2.662
   44   3HD1  LEU   5          HD13      LEU   5   4.289  -9.694   2.106
   45   1HD2  LEU   5          HD21      LEU   5   5.041 -11.838   3.413
   46   2HD2  LEU   5          HD22      LEU   5   4.749 -12.714   1.911
   47   3HD2  LEU   5          HD23      LEU   5   3.948 -13.221   3.397
   48    H    ASN   6           HN       ASN   6  -0.189 -11.401   6.000
   49    HA   ASN   6           HA       ASN   6  -0.779  -8.726   5.504
   50   1HB   ASN   6          HB2       ASN   6  -2.489  -8.960   7.270
   51   2HB   ASN   6          HB1       ASN   6  -2.531 -10.270   6.094
   52   1HD2  ASN   6          HD21      ASN   6  -3.718 -10.556   8.533
   53   2HD2  ASN   6          HD22      ASN   6  -2.837 -11.697   9.485
   54    H    ASP   7           HN       ASP   7   0.746 -10.295   8.276
   55    HA   ASP   7           HA       ASP   7   0.892  -8.193  10.053
   56   1HB   ASP   7          HB2       ASP   7   1.734 -10.572  10.387
   57   2HB   ASP   7          HB1       ASP   7   3.195 -10.082   9.536
   58    H    LEU   8           HN       LEU   8   2.609  -8.708   7.084
   59    HA   LEU   8           HA       LEU   8   4.493  -6.556   7.526
   60   1HB   LEU   8          HB2       LEU   8   4.794  -8.750   6.129
   61   2HB   LEU   8          HB1       LEU   8   3.973  -7.847   4.872
   62    HG   LEU   8           HG       LEU   8   6.252  -7.585   4.409
   63   1HD1  LEU   8          HD11      LEU   8   6.626  -5.272   4.534
   64   2HD1  LEU   8          HD12      LEU   8   5.695  -5.118   6.024
   65   3HD1  LEU   8          HD13      LEU   8   4.873  -5.462   4.502
   66   1HD2  LEU   8          HD21      LEU   8   6.945  -6.614   7.141
   67   2HD2  LEU   8          HD22      LEU   8   7.967  -7.376   5.922
   68   3HD2  LEU   8          HD23      LEU   8   6.820  -8.348   6.845
   69    H    LEU   9           HN       LEU   9   1.472  -7.149   5.822
   70    HA   LEU   9           HA       LEU   9   1.466  -4.812   4.247
   71   1HB   LEU   9          HB2       LEU   9  -0.592  -6.754   5.174
   72   2HB   LEU   9          HB1       LEU   9  -1.150  -5.218   4.535
   73    HG   LEU   9           HG       LEU   9   0.780  -6.896   2.969
   74   1HD1  LEU   9          HD11      LEU   9  -1.444  -8.082   3.769
   75   2HD1  LEU   9          HD12      LEU   9  -0.822  -8.280   2.132
   76   3HD1  LEU   9          HD13      LEU   9  -2.131  -7.141   2.445
   77   1HD2  LEU   9          HD21      LEU   9  -0.337  -5.759   1.083
   78   2HD2  LEU   9          HD22      LEU   9   0.428  -4.634   2.203
   79   3HD2  LEU   9          HD23      LEU   9  -1.320  -4.860   2.238
   80    H    GLU  10           HN       GLU  10   0.669  -5.427   7.584
   81    HA   GLU  10           HA       GLU  10  -0.934  -3.274   8.228
   82   1HB   GLU  10          HB2       GLU  10   0.324  -5.271   9.632
   83   2HB   GLU  10          HB1       GLU  10   1.131  -3.830  10.235
   84   1HG   GLU  10          HG2       GLU  10  -0.564  -3.686  11.664
   85   2HG   GLU  10          HG1       GLU  10  -1.499  -3.090  10.293
   86    H    ASP  11           HN       ASP  11   2.628  -3.390   8.240
   87    HA   ASP  11           HA       ASP  11   3.123  -0.800   9.101
   88   1HB   ASP  11          HB2       ASP  11   4.624  -2.815   7.525
   89   2HB   ASP  11          HB1       ASP  11   5.197  -1.154   7.420
   90    H    LEU  12           HN       LEU  12   2.633  -1.981   5.800
   91    HA   LEU  12           HA       LEU  12   3.080   0.357   4.407
   92   1HB   LEU  12          HB2       LEU  12   2.705  -1.085   2.757
   93   2HB   LEU  12          HB1       LEU  12   1.989  -2.227   3.871
   94    HG   LEU  12           HG       LEU  12   0.129  -0.104   3.057
   95   1HD1  LEU  12          HD11      LEU  12   1.727  -1.428   1.026
   96   2HD1  LEU  12          HD12      LEU  12   0.633  -0.049   0.899
   97   3HD1  LEU  12          HD13      LEU  12  -0.005  -1.689   0.824
   98   1HD2  LEU  12          HD21      LEU  12  -1.043  -2.394   2.366
   99   2HD2  LEU  12          HD22      LEU  12  -0.991  -1.823   4.032
  100   3HD2  LEU  12          HD23      LEU  12   0.165  -3.034   3.479
  101    H    GLN  13           HN       GLN  13  -0.077  -0.938   5.385
  102    HA   GLN  13           HA       GLN  13  -1.628   1.230   4.672
  103   1HB   GLN  13          HB2       GLN  13  -2.437  -1.025   5.443
  104   2HB   GLN  13          HB1       GLN  13  -2.128  -0.507   7.095
  105   1HG   GLN  13          HG2       GLN  13  -3.672   1.476   6.520
  106   2HG   GLN  13          HG1       GLN  13  -4.189   0.473   5.167
  107   1HE2  GLN  13          HE21      GLN  13  -3.420  -0.134   8.581
  108   2HE2  GLN  13          HE22      GLN  13  -4.892  -0.962   8.942
  109    H    GLU  14           HN       GLU  14   0.222   0.740   7.642
  110    HA   GLU  14           HA       GLU  14  -0.821   3.108   8.906
  111   1HB   GLU  14          HB2       GLU  14   0.319   0.911   9.923
  112   2HB   GLU  14          HB1       GLU  14   1.759   1.911   9.787
  113   1HG   GLU  14          HG2       GLU  14   1.232   2.830  11.725
  114   2HG   GLU  14          HG1       GLU  14  -0.177   3.553  10.949
  115    H    VAL  15           HN       VAL  15   1.863   2.269   6.874
  116    HA   VAL  15           HA       VAL  15   3.420   4.579   7.333
  117    HB   VAL  15           HB       VAL  15   4.001   2.340   6.117
  118   1HG1  VAL  15          HG11      VAL  15   4.106   3.467   3.550
  119   2HG1  VAL  15          HG12      VAL  15   2.440   3.609   4.095
  120   3HG1  VAL  15          HG13      VAL  15   3.226   2.042   4.073
  121   1HG2  VAL  15          HG21      VAL  15   5.104   5.002   5.249
  122   2HG2  VAL  15          HG22      VAL  15   5.916   3.432   5.111
  123   3HG2  VAL  15          HG23      VAL  15   5.553   4.099   6.701
  124    H    LEU  16           HN       LEU  16   0.589   3.940   5.447
  125    HA   LEU  16           HA       LEU  16   0.710   6.117   3.666
  126   1HB   LEU  16          HB2       LEU  16  -1.542   4.541   4.853
  127   2HB   LEU  16          HB1       LEU  16  -1.869   5.946   3.864
  128    HG   LEU  16           HG       LEU  16  -2.093   4.122   2.415
  129   1HD1  LEU  16          HD11      LEU  16  -0.843   4.925   0.771
  130   2HD1  LEU  16          HD12      LEU  16   0.649   4.440   1.574
  131   3HD1  LEU  16          HD13      LEU  16  -0.103   5.986   1.967
  132   1HD2  LEU  16          HD21      LEU  16  -0.990   2.163   2.534
  133   2HD2  LEU  16          HD22      LEU  16  -0.650   2.723   4.171
  134   3HD2  LEU  16          HD23      LEU  16   0.555   2.930   2.903
  135    H    LYS  17           HN       LYS  17  -0.469   5.768   6.978
  136    HA   LYS  17           HA       LYS  17  -1.838   8.035   7.495
  137   1HB   LYS  17          HB2       LYS  17  -0.968   6.214   9.125
  138   2HB   LYS  17          HB1       LYS  17   0.417   7.276   9.334
  139   1HG   LYS  17          HG2       LYS  17  -1.620   9.021   9.700
  140   2HG   LYS  17          HG1       LYS  17  -2.331   7.534  10.329
  141   1HD   LYS  17          HD2       LYS  17  -1.252   8.654  12.144
  142   2HD   LYS  17          HD1       LYS  17  -0.279   7.241  11.730
  143   1HE   LYS  17          HE2       LYS  17   1.314   8.588  10.572
  144   2HE   LYS  17          HE1       LYS  17   0.281  10.011  10.689
  145   1HZ   LYS  17          HZ1       LYS  17   1.380   8.620  13.065
  146   2HZ   LYS  17          HZ2       LYS  17   0.649  10.145  13.002
  147   3HZ   LYS  17          HZ3       LYS  17   2.172   9.909  12.306
  148    H    ASN  18           HN       ASN  18   1.631   7.761   7.059
  149    HA   ASN  18           HA       ASN  18   2.279  10.471   7.640
  150   1HB   ASN  18          HB2       ASN  18   3.635   8.140   6.411
  151   2HB   ASN  18          HB1       ASN  18   4.211   9.709   5.858
  152   1HD2  ASN  18          HD21      ASN  18   5.846   7.998   7.234
  153   2HD2  ASN  18          HD22      ASN  18   6.193   8.655   8.793
  154    H    LEU  19           HN       LEU  19   1.925   8.697   4.616
  155    HA   LEU  19           HA       LEU  19   2.234  10.544   2.699
  156   1HB   LEU  19          HB2       LEU  19   1.708   8.631   1.670
  157   2HB   LEU  19          HB1       LEU  19   0.743   8.080   3.014
  158    HG   LEU  19           HG       LEU  19  -0.488  10.115   1.238
  159   1HD1  LEU  19          HD11      LEU  19  -1.203   8.340  -0.331
  160   2HD1  LEU  19          HD12      LEU  19  -0.055   7.242   0.435
  161   3HD1  LEU  19          HD13      LEU  19   0.525   8.675  -0.409
  162   1HD2  LEU  19          HD21      LEU  19  -2.008   9.496   2.782
  163   2HD2  LEU  19          HD22      LEU  19  -1.284   7.908   3.026
  164   3HD2  LEU  19          HD23      LEU  19  -2.304   8.205   1.620
  165    H    HIS  20           HN       HIS  20  -0.798  10.106   4.517
  166    HA   HIS  20           HA       HIS  20  -2.405  11.922   3.221
  167   1HB   HIS  20          HB2       HIS  20  -2.261  11.276   6.165
  168   2HB   HIS  20          HB1       HIS  20  -3.541  12.244   5.449
  169    HD1  HIS  20           HD1      HIS  20  -5.537  11.001   4.706
  170    HD2  HIS  20           HD2      HIS  20  -2.222   8.529   5.068
  171    HE1  HIS  20           HE1      HIS  20  -6.402   8.664   4.367
  172    HE2  HIS  20           HE2      HIS  20  -4.388   7.180   4.664
  173    H    LYS  21           HN       LYS  21   0.070  12.624   5.631
  174    HA   LYS  21           HA       LYS  21  -0.665  15.441   5.612
  175   1HB   LYS  21          HB2       LYS  21   1.624  14.269   7.150
  176   2HB   LYS  21          HB1       LYS  21   0.648  15.685   7.528
  177   1HG   LYS  21          HG2       LYS  21  -0.403  12.870   7.528
  178   2HG   LYS  21          HG1       LYS  21   0.206  13.701   8.962
  179   1HD   LYS  21          HD2       LYS  21  -2.063  14.124   9.120
  180   2HD   LYS  21          HD1       LYS  21  -1.494  15.561   8.271
  181   1HE   LYS  21          HE2       LYS  21  -2.418  14.896   6.251
  182   2HE   LYS  21          HE1       LYS  21  -2.386  13.193   6.694
  183   1HZ   LYS  21          HZ1       LYS  21  -4.364  13.323   7.723
  184   2HZ   LYS  21          HZ2       LYS  21  -4.591  14.661   6.714
  185   3HZ   LYS  21          HZ3       LYS  21  -4.096  14.885   8.315
  186    H    ASN  22           HN       ASN  22   1.043  13.755   3.481
  187    HA   ASN  22           HA       ASN  22   2.647  16.073   2.835
  188   1HB   ASN  22          HB2       ASN  22   3.941  13.401   3.366
  189   2HB   ASN  22          HB1       ASN  22   4.750  14.781   2.632
  190   1HD2  ASN  22          HD21      ASN  22   4.653  16.819   3.932
  191   2HD2  ASN  22          HD22      ASN  22   4.856  16.675   5.641
  192    H    TRP  23           HN       TRP  23   0.516  13.962   1.742
  193    HA   TRP  23           HA       TRP  23   1.800  13.134  -0.685
  194   1HB   TRP  23          HB2       TRP  23  -0.071  11.912  -1.112
  195   2HB   TRP  23          HB1       TRP  23  -0.349  12.166   0.600
  196    HD1  TRP  23           HD1      TRP  23  -2.664  13.028   1.167
  197    HE1  TRP  23           HE1      TRP  23  -4.551  14.242  -0.057
  198    HE3  TRP  23           HE3      TRP  23  -0.341  13.648  -3.284
  199    HZ2  TRP  23           HZ2      TRP  23  -4.997  15.301  -2.675
  200    HZ3  TRP  23           HZ3      TRP  23  -1.537  14.731  -5.107
  201    HH2  TRP  23           HH2      TRP  23  -3.827  15.552  -4.823
  202    H    HIS  24           HN       HIS  24  -0.172  15.813   0.371
  203    HA   HIS  24           HA       HIS  24   0.761  17.559  -1.593
  204   1HB   HIS  24          HB2       HIS  24  -0.533  16.296  -3.188
  205   2HB   HIS  24          HB1       HIS  24  -1.968  16.396  -2.174
  206    HD1  HIS  24           HD1      HIS  24   0.374  18.810  -3.964
  207    HD2  HIS  24           HD2      HIS  24  -3.628  18.396  -2.922
  208    HE1  HIS  24           HE1      HIS  24  -0.795  20.790  -4.983
  209    HE2  HIS  24           HE2      HIS  24  -3.229  20.469  -4.418
  210    H    GLY  25           HN       GLY  25  -2.207  16.799   0.218
  211   1HA   GLY  25          HA2       GLY  25  -2.024  19.489   1.421
  212   2HA   GLY  25          HA1       GLY  25  -3.562  18.857   0.849
  213    H    GLY  26           HN       GLY  26  -4.612  17.241   2.013
  214   1HA   GLY  26          HA2       GLY  26  -3.388  16.484   4.577
  215   2HA   GLY  26          HA1       GLY  26  -5.005  17.178   4.548
  216    H    LYS  27           HN       LYS  27  -6.131  15.439   5.276
  217    HA   LYS  27           HA       LYS  27  -5.799  12.879   3.921
  218   1HB   LYS  27          HB2       LYS  27  -5.908  12.586   6.243
  219   2HB   LYS  27          HB1       LYS  27  -7.227  13.736   6.420
  220   1HG   LYS  27          HG2       LYS  27  -8.754  12.173   5.351
  221   2HG   LYS  27          HG1       LYS  27  -7.435  11.027   5.116
  222   1HD   LYS  27          HD2       LYS  27  -7.406  11.706   7.846
  223   2HD   LYS  27          HD1       LYS  27  -9.099  11.440   7.423
  224   1HE   LYS  27          HE2       LYS  27  -6.801   9.536   6.996
  225   2HE   LYS  27          HE1       LYS  27  -8.116   9.363   8.158
  226   1HZ   LYS  27          HZ1       LYS  27  -8.811   8.032   6.438
  227   2HZ   LYS  27          HZ2       LYS  27  -8.166   9.032   5.236
  228   3HZ   LYS  27          HZ3       LYS  27  -9.582   9.485   6.042
  229    H    ASP  28           HN       ASP  28  -7.842  15.625   3.855
  230    HA   ASP  28           HA       ASP  28 -10.298  14.567   3.125
  231   1HB   ASP  28          HB2       ASP  28  -8.996  17.095   2.089
  232   2HB   ASP  28          HB1       ASP  28 -10.713  16.717   1.993
  233    H    ASN  29           HN       ASN  29  -7.693  15.636   0.935
  234    HA   ASN  29           HA       ASN  29  -8.982  14.411  -1.330
  235   1HB   ASN  29          HB2       ASN  29  -6.270  15.718  -1.037
  236   2HB   ASN  29          HB1       ASN  29  -6.946  15.149  -2.561
  237   1HD2  ASN  29          HD21      ASN  29  -6.463  17.806  -0.762
  238   2HD2  ASN  29          HD22      ASN  29  -7.756  18.800  -1.331
  239    H    LEU  30           HN       LEU  30  -6.813  13.389   1.104
  240    HA   LEU  30           HA       LEU  30  -5.542  11.322  -0.459
  241   1HB   LEU  30          HB2       LEU  30  -4.572  12.536   1.580
  242   2HB   LEU  30          HB1       LEU  30  -5.625  11.525   2.545
  243    HG   LEU  30           HG       LEU  30  -3.387  10.626   2.531
  244   1HD1  LEU  30          HD11      LEU  30  -4.603   8.638   0.785
  245   2HD1  LEU  30          HD12      LEU  30  -5.624   9.191   2.110
  246   3HD1  LEU  30          HD13      LEU  30  -4.036   8.510   2.444
  247   1HD2  LEU  30          HD21      LEU  30  -2.154  11.056   0.719
  248   2HD2  LEU  30          HD22      LEU  30  -3.558  11.127  -0.344
  249   3HD2  LEU  30          HD23      LEU  30  -2.852   9.567   0.087
  250    H    HIS  31           HN       HIS  31  -8.292  11.664   1.674
  251    HA   HIS  31           HA       HIS  31  -8.830   9.049   2.361
  252   1HB   HIS  31          HB2       HIS  31 -10.151  11.458   2.598
  253   2HB   HIS  31          HB1       HIS  31 -11.234  10.524   1.571
  254    HD1  HIS  31           HD1      HIS  31 -10.611   7.743   2.978
  255    HD2  HIS  31           HD2      HIS  31 -11.695  11.275   4.880
  256    HE1  HIS  31           HE1      HIS  31 -11.608   7.043   5.178
  257    HE2  HIS  31           HE2      HIS  31 -12.342   9.191   6.270
  258    H    ASP  32           HN       ASP  32  -9.453  10.692  -0.691
  259    HA   ASP  32           HA       ASP  32 -10.953   8.520  -1.807
  260   1HB   ASP  32          HB2       ASP  32  -9.944  11.144  -2.766
  261   2HB   ASP  32          HB1       ASP  32 -10.275   9.919  -3.986
  262    H    VAL  33           HN       VAL  33  -7.599   9.345  -1.601
  263    HA   VAL  33           HA       VAL  33  -6.861   7.474  -3.704
  264    HB   VAL  33           HB       VAL  33  -5.749   9.760  -3.193
  265   1HG1  VAL  33          HG11      VAL  33  -3.700   9.529  -1.807
  266   2HG1  VAL  33          HG12      VAL  33  -4.334   7.996  -1.213
  267   3HG1  VAL  33          HG13      VAL  33  -5.205   9.495  -0.893
  268   1HG2  VAL  33          HG21      VAL  33  -4.570   8.933  -4.872
  269   2HG2  VAL  33          HG22      VAL  33  -4.714   7.284  -4.261
  270   3HG2  VAL  33          HG23      VAL  33  -3.434   8.341  -3.660
  271    H    ASP  34           HN       ASP  34  -6.535   7.801  -0.181
  272    HA   ASP  34           HA       ASP  34  -5.135   5.324   0.112
  273   1HB   ASP  34          HB2       ASP  34  -4.682   6.697   1.906
  274   2HB   ASP  34          HB1       ASP  34  -6.327   7.322   1.986
  275    H    ASN  35           HN       ASN  35  -8.500   6.313   0.101
  276    HA   ASN  35           HA       ASN  35  -9.698   4.114   1.298
  277   1HB   ASN  35          HB2       ASN  35 -11.058   5.986   0.627
  278   2HB   ASN  35          HB1       ASN  35 -10.616   5.772  -1.065
  279   1HD2  ASN  35          HD21      ASN  35 -11.954   3.812   1.579
  280   2HD2  ASN  35          HD22      ASN  35 -13.215   3.100   0.637
  281    H    HIS  36           HN       HIS  36  -8.126   4.456  -1.768
  282    HA   HIS  36           HA       HIS  36  -9.048   2.012  -2.923
  283   1HB   HIS  36          HB2       HIS  36  -7.153   4.170  -3.604
  284   2HB   HIS  36          HB1       HIS  36  -6.666   2.578  -4.183
  285    HD1  HIS  36           HD1      HIS  36  -7.171   2.801  -6.628
  286    HD2  HIS  36           HD2      HIS  36 -10.370   3.943  -4.234
  287    HE1  HIS  36           HE1      HIS  36  -9.094   3.173  -8.206
  288    HE2  HIS  36           HE2      HIS  36 -11.038   3.792  -6.728
  289    H    LEU  37           HN       LEU  37  -6.336   3.049  -0.983
  290    HA   LEU  37           HA       LEU  37  -4.806   0.666  -1.145
  291   1HB   LEU  37          HB2       LEU  37  -4.123   3.031  -0.368
  292   2HB   LEU  37          HB1       LEU  37  -4.794   2.569   1.179
  293    HG   LEU  37           HG       LEU  37  -2.690   1.953   1.625
  294   1HD1  LEU  37          HD11      LEU  37  -3.473  -0.382  -0.109
  295   2HD1  LEU  37          HD12      LEU  37  -3.806  -0.188   1.612
  296   3HD1  LEU  37          HD13      LEU  37  -2.144  -0.376   1.052
  297   1HD2  LEU  37          HD21      LEU  37  -1.369   2.772  -0.006
  298   2HD2  LEU  37          HD22      LEU  37  -2.389   2.135  -1.297
  299   3HD2  LEU  37          HD23      LEU  37  -1.247   1.074  -0.471
  300    H    GLN  38           HN       GLN  38  -6.558   1.989   1.655
  301    HA   GLN  38           HA       GLN  38  -6.552  -0.184   3.294
  302   1HB   GLN  38          HB2       GLN  38  -7.463   2.000   3.935
  303   2HB   GLN  38          HB1       GLN  38  -8.855   1.732   2.895
  304   1HG   GLN  38          HG2       GLN  38  -9.495  -0.195   4.273
  305   2HG   GLN  38          HG1       GLN  38  -8.121   0.122   5.330
  306   1HE2  GLN  38          HE21      GLN  38 -10.306   0.061   6.660
  307   2HE2  GLN  38          HE22      GLN  38 -10.938   1.626   7.030
  308    H    ASN  39           HN       ASN  39  -8.668   0.354   0.520
  309    HA   ASN  39           HA       ASN  39 -10.431  -1.805   1.030
  310   1HB   ASN  39          HB2       ASN  39 -10.755   0.143  -0.603
  311   2HB   ASN  39          HB1       ASN  39  -9.729  -0.759  -1.713
  312   1HD2  ASN  39          HD21      ASN  39 -10.427  -3.034  -2.121
  313   2HD2  ASN  39          HD22      ASN  39 -12.123  -3.322  -2.285
  314    H    VAL  40           HN       VAL  40  -7.298  -1.560  -0.466
  315    HA   VAL  40           HA       VAL  40  -7.254  -4.047  -1.793
  316    HB   VAL  40           HB       VAL  40  -4.892  -2.586  -0.600
  317   1HG1  VAL  40          HG11      VAL  40  -5.175  -4.971  -2.215
  318   2HG1  VAL  40          HG12      VAL  40  -3.758  -4.330  -1.386
  319   3HG1  VAL  40          HG13      VAL  40  -4.164  -3.762  -3.004
  320   1HG2  VAL  40          HG21      VAL  40  -5.458  -0.915  -1.968
  321   2HG2  VAL  40          HG22      VAL  40  -6.650  -1.895  -2.820
  322   3HG2  VAL  40          HG23      VAL  40  -4.948  -1.978  -3.277
  323    H    ILE  41           HN       ILE  41  -5.920  -3.080   1.366
  324    HA   ILE  41           HA       ILE  41  -4.801  -5.328   2.308
  325    HB   ILE  41           HB       ILE  41  -6.722  -3.687   3.958
  326   1HG1  ILE  41          HG12      ILE  41  -5.165  -2.195   2.867
  327   2HG1  ILE  41          HG11      ILE  41  -4.700  -2.358   4.556
  328   1HG2  ILE  41          HG21      ILE  41  -5.686  -5.931   4.799
  329   2HG2  ILE  41          HG22      ILE  41  -5.719  -4.517   5.851
  330   3HG2  ILE  41          HG23      ILE  41  -4.235  -4.950   5.003
  331   1HD1  ILE  41          HD11      ILE  41  -2.663  -2.893   3.901
  332   2HD1  ILE  41          HD12      ILE  41  -3.164  -2.857   2.211
  333   3HD1  ILE  41          HD13      ILE  41  -3.306  -4.348   3.142
  334    H    GLU  42           HN       GLU  42  -8.311  -4.775   2.187
  335    HA   GLU  42           HA       GLU  42  -8.955  -7.263   3.445
  336   1HB   GLU  42          HB2       GLU  42 -10.743  -5.632   1.638
  337   2HB   GLU  42          HB1       GLU  42 -11.236  -6.776   2.878
  338   1HG   GLU  42          HG2       GLU  42  -9.719  -4.255   3.481
  339   2HG   GLU  42          HG1       GLU  42 -11.479  -4.343   3.455
  340    H    ASP  43           HN       ASP  43  -8.659  -6.164   0.115
  341    HA   ASP  43           HA       ASP  43  -9.566  -8.614  -1.022
  342   1HB   ASP  43          HB2       ASP  43  -8.368  -6.093  -2.024
  343   2HB   ASP  43          HB1       ASP  43  -8.127  -7.520  -3.029
  344    H    ILE  44           HN       ILE  44  -6.503  -7.413   0.116
  345    HA   ILE  44           HA       ILE  44  -5.009  -9.569  -1.134
  346    HB   ILE  44           HB       ILE  44  -3.934  -7.703   0.959
  347   1HG1  ILE  44          HG12      ILE  44  -5.070  -6.416  -0.881
  348   2HG1  ILE  44          HG11      ILE  44  -3.351  -6.093  -0.711
  349   1HG2  ILE  44          HG21      ILE  44  -2.807  -9.571  -1.034
  350   2HG2  ILE  44          HG22      ILE  44  -2.257  -9.177   0.596
  351   3HG2  ILE  44          HG23      ILE  44  -1.920  -8.073  -0.740
  352   1HD1  ILE  44          HD11      ILE  44  -4.751  -7.676  -2.834
  353   2HD1  ILE  44          HD12      ILE  44  -3.010  -7.781  -2.573
  354   3HD1  ILE  44          HD13      ILE  44  -3.745  -6.239  -3.011
  355    H    HIS  45           HN       HIS  45  -6.110  -8.608   2.088
  356    HA   HIS  45           HA       HIS  45  -4.850 -10.790   3.427
  357   1HB   HIS  45          HB2       HIS  45  -7.032  -8.898   4.305
  358   2HB   HIS  45          HB1       HIS  45  -6.284 -10.097   5.358
  359    HD1  HIS  45           HD1      HIS  45  -5.297  -8.261   6.894
  360    HD2  HIS  45           HD2      HIS  45  -4.020  -8.077   2.947
  361    HE1  HIS  45           HE1      HIS  45  -3.347  -6.672   6.898
  362    HE2  HIS  45           HE2      HIS  45  -2.720  -6.433   4.468
  363    H    ASP  46           HN       ASP  46  -8.094 -10.198   2.162
  364    HA   ASP  46           HA       ASP  46  -9.152 -12.639   3.231
  365   1HB   ASP  46          HB2       ASP  46 -10.194 -10.821   1.044
  366   2HB   ASP  46          HB1       ASP  46 -11.086 -12.169   1.739
  367    H    PHE  47           HN       PHE  47  -7.419 -11.677   0.398
  368    HA   PHE  47           HA       PHE  47  -8.063 -14.134  -1.029
  369   1HB   PHE  47          HB2       PHE  47  -6.434 -11.707  -1.721
  370   2HB   PHE  47          HB1       PHE  47  -6.384 -13.156  -2.713
  371    HD1  PHE  47           HD1      PHE  47  -7.388 -12.425  -4.684
  372    HD2  PHE  47           HD2      PHE  47  -9.343 -11.738  -0.970
  373    HE1  PHE  47           HE1      PHE  47  -9.404 -11.693  -5.886
  374    HE2  PHE  47           HE2      PHE  47 -11.363 -11.006  -2.164
  375    HZ   PHE  47           HZ       PHE  47 -11.396 -10.982  -4.626
  376    H    MET  48           HN       MET  48  -5.175 -12.627   0.420
  377    HA   MET  48           HA       MET  48  -3.231 -14.428  -0.253
  378   1HB   MET  48          HB2       MET  48  -2.020 -13.766   1.691
  379   2HB   MET  48          HB1       MET  48  -2.906 -12.366   1.110
  380   1HG   MET  48          HG2       MET  48  -4.608 -12.747   2.832
  381   2HG   MET  48          HG1       MET  48  -3.684 -14.125   3.424
  382   1HE   MET  48          HE1       MET  48  -0.715 -12.046   2.620
  383   2HE   MET  48          HE2       MET  48  -0.935 -13.599   3.425
  384   3HE   MET  48          HE3       MET  48  -0.305 -12.222   4.324
  385    H    GLN  49           HN       GLN  49  -5.805 -14.872   2.075
  386    HA   GLN  49           HA       GLN  49  -4.754 -17.181   3.328
  387   1HB   GLN  49          HB2       GLN  49  -7.115 -15.588   3.510
  388   2HB   GLN  49          HB1       GLN  49  -7.599 -17.273   3.373
  389   1HG   GLN  49          HG2       GLN  49  -5.547 -16.329   5.350
  390   2HG   GLN  49          HG1       GLN  49  -7.272 -16.376   5.707
  391   1HE2  GLN  49          HE21      GLN  49  -7.619 -18.031   7.007
  392   2HE2  GLN  49          HE22      GLN  49  -7.011 -19.633   6.796
  393    H    GLY  50           HN       GLY  50  -6.446 -16.671   0.338
  394   1HA   GLY  50          HA2       GLY  50  -5.830 -18.804  -1.070
  395   2HA   GLY  50          HA1       GLY  50  -6.978 -19.534   0.040
  396    H    GLY  51           HN       GLY  51  -8.327 -16.684  -0.119
  397   1HA   GLY  51          HA2       GLY  51 -10.483 -17.357  -1.686
  398   2HA   GLY  51          HA1       GLY  51 -10.005 -15.701  -1.344
  399    H    GLY  52           HN       GLY  52  -7.564 -15.621  -2.712
  400   1HA   GLY  52          HA2       GLY  52  -7.471 -16.600  -5.285
  401   2HA   GLY  52          HA1       GLY  52  -8.505 -15.184  -5.376
  402    H    SER  53           HN       SER  53  -5.692 -15.646  -3.293
  403    HA   SER  53           HA       SER  53  -4.605 -13.128  -3.813
  404   1HB   SER  53          HB2       SER  53  -2.834 -13.763  -2.440
  405   2HB   SER  53          HB1       SER  53  -4.115 -14.854  -1.910
  406    HG   SER  53           HG       SER  53  -1.813 -15.393  -3.401
  407    H    GLY  54           HN       GLY  54  -4.380 -16.095  -5.582
  408   1HA   GLY  54          HA2       GLY  54  -2.068 -15.205  -7.113
  409   2HA   GLY  54          HA1       GLY  54  -2.915 -16.733  -7.298
  410    H    GLY  55           HN       GLY  55  -3.752 -13.271  -7.565
  411   1HA   GLY  55          HA2       GLY  55  -4.125 -13.183 -10.303
  412   2HA   GLY  55          HA1       GLY  55  -5.652 -13.741  -9.635
  413    H    LYS  56           HN       LYS  56  -5.234 -12.109  -7.160
  414    HA   LYS  56           HA       LYS  56  -6.292  -9.644  -8.269
  415   1HB   LYS  56          HB2       LYS  56  -7.502  -9.508  -6.392
  416   2HB   LYS  56          HB1       LYS  56  -6.934 -11.128  -6.035
  417   1HG   LYS  56          HG2       LYS  56  -5.381  -8.724  -5.138
  418   2HG   LYS  56          HG1       LYS  56  -6.760  -9.322  -4.220
  419   1HD   LYS  56          HD2       LYS  56  -5.633 -11.093  -3.448
  420   2HD   LYS  56          HD1       LYS  56  -4.864 -11.404  -5.006
  421   1HE   LYS  56          HE2       LYS  56  -3.408  -9.369  -4.471
  422   2HE   LYS  56          HE1       LYS  56  -4.013  -9.532  -2.824
  423   1HZ   LYS  56          HZ1       LYS  56  -1.841 -10.686  -3.388
  424   2HZ   LYS  56          HZ2       LYS  56  -2.776 -11.809  -4.239
  425   3HZ   LYS  56          HZ3       LYS  56  -3.010 -11.603  -2.577
  426    H    LEU  57           HN       LEU  57  -3.410 -10.781  -6.664
  427    HA   LEU  57           HA       LEU  57  -2.387  -8.302  -5.842
  428   1HB   LEU  57          HB2       LEU  57  -1.553 -10.711  -5.362
  429   2HB   LEU  57          HB1       LEU  57  -0.607 -10.495  -6.820
  430    HG   LEU  57           HG       LEU  57   0.446  -8.492  -5.800
  431   1HD1  LEU  57          HD11      LEU  57  -1.658  -8.563  -4.046
  432   2HD1  LEU  57          HD12      LEU  57  -0.183  -7.619  -3.845
  433   3HD1  LEU  57          HD13      LEU  57  -0.329  -9.200  -3.079
  434   1HD2  LEU  57          HD21      LEU  57   1.248 -10.960  -5.606
  435   2HD2  LEU  57          HD22      LEU  57   0.828 -10.766  -3.904
  436   3HD2  LEU  57          HD23      LEU  57   2.027  -9.705  -4.644
  437    H    GLN  58           HN       GLN  58  -2.945  -9.403  -8.993
  438    HA   GLN  58           HA       GLN  58  -0.745  -7.924 -10.150
  439   1HB   GLN  58          HB2       GLN  58  -1.387  -8.803 -12.235
  440   2HB   GLN  58          HB1       GLN  58  -1.719 -10.099 -11.096
  441   1HG   GLN  58          HG2       GLN  58  -4.097  -9.393 -11.071
  442   2HG   GLN  58          HG1       GLN  58  -3.719  -8.220 -12.330
  443   1HE2  GLN  58          HE21      GLN  58  -4.274  -8.881 -14.266
  444   2HE2  GLN  58          HE22      GLN  58  -4.242 -10.509 -14.844
  445    H    GLU  59           HN       GLU  59  -4.293  -7.689 -10.117
  446    HA   GLU  59           HA       GLU  59  -4.157  -5.029 -11.287
  447   1HB   GLU  59          HB2       GLU  59  -6.290  -7.015 -10.742
  448   2HB   GLU  59          HB1       GLU  59  -6.768  -5.325 -10.665
  449   1HG   GLU  59          HG2       GLU  59  -5.435  -6.661 -13.011
  450   2HG   GLU  59          HG1       GLU  59  -7.155  -6.298 -12.872
  451    H    MET  60           HN       MET  60  -4.750  -6.578  -8.221
  452    HA   MET  60           HA       MET  60  -5.656  -4.222  -6.882
  453   1HB   MET  60          HB2       MET  60  -5.968  -6.768  -6.281
  454   2HB   MET  60          HB1       MET  60  -4.456  -6.534  -5.414
  455   1HG   MET  60          HG2       MET  60  -5.958  -6.092  -3.764
  456   2HG   MET  60          HG1       MET  60  -5.712  -4.468  -4.411
  457   1HE   MET  60          HE1       MET  60  -7.149  -3.053  -4.842
  458   2HE   MET  60          HE2       MET  60  -8.899  -3.189  -4.679
  459   3HE   MET  60          HE3       MET  60  -8.145  -3.355  -6.264
  460    H    MET  61           HN       MET  61  -2.535  -5.650  -7.567
  461    HA   MET  61           HA       MET  61  -1.030  -4.433  -5.540
  462   1HB   MET  61          HB2       MET  61   0.184  -5.998  -6.733
  463   2HB   MET  61          HB1       MET  61  -0.397  -5.427  -8.290
  464   1HG   MET  61          HG2       MET  61   1.245  -3.893  -8.489
  465   2HG   MET  61          HG1       MET  61   1.289  -3.554  -6.760
  466   1HE   MET  61          HE1       MET  61   1.678  -6.204  -9.313
  467   2HE   MET  61          HE2       MET  61   2.081  -7.500  -8.187
  468   3HE   MET  61          HE3       MET  61   3.345  -6.759  -9.168
  469    H    LYS  62           HN       LYS  62  -1.873  -3.265  -8.792
  470    HA   LYS  62           HA       LYS  62  -0.528  -0.800  -8.610
  471   1HB   LYS  62          HB2       LYS  62  -1.891  -2.104 -10.576
  472   2HB   LYS  62          HB1       LYS  62  -3.031  -0.827 -10.173
  473   1HG   LYS  62          HG2       LYS  62  -1.372   0.861 -10.628
  474   2HG   LYS  62          HG1       LYS  62  -0.144  -0.377 -10.900
  475   1HD   LYS  62          HD2       LYS  62  -1.964  -1.210 -12.663
  476   2HD   LYS  62          HD1       LYS  62  -2.380   0.504 -12.638
  477   1HE   LYS  62          HE2       LYS  62  -0.781   0.634 -14.225
  478   2HE   LYS  62          HE1       LYS  62   0.298   0.677 -12.829
  479   1HZ   LYS  62          HZ1       LYS  62   0.676  -1.007 -14.776
  480   2HZ   LYS  62          HZ2       LYS  62  -0.457  -1.933 -13.928
  481   3HZ   LYS  62          HZ3       LYS  62   0.980  -1.457 -13.174
  482    H    GLU  63           HN       GLU  63  -3.510  -1.922  -7.278
  483    HA   GLU  63           HA       GLU  63  -4.769   0.578  -6.875
  484   1HB   GLU  63          HB2       GLU  63  -5.860  -1.699  -6.790
  485   2HB   GLU  63          HB1       GLU  63  -5.141  -1.900  -5.198
  486   1HG   GLU  63          HG2       GLU  63  -7.125  -1.083  -4.530
  487   2HG   GLU  63          HG1       GLU  63  -6.332   0.461  -4.832
  488    H    PHE  64           HN       PHE  64  -2.389  -1.235  -5.043
  489    HA   PHE  64           HA       PHE  64  -2.611   0.547  -2.763
  490   1HB   PHE  64          HB2       PHE  64  -1.194  -0.934  -1.614
  491   2HB   PHE  64          HB1       PHE  64  -2.117  -1.996  -2.670
  492    HD1  PHE  64           HD1      PHE  64  -1.003  -3.597  -3.825
  493    HD2  PHE  64           HD2      PHE  64   1.104  -0.085  -2.676
  494    HE1  PHE  64           HE1      PHE  64   1.074  -4.553  -4.729
  495    HE2  PHE  64           HE2      PHE  64   3.185  -1.034  -3.582
  496    HZ   PHE  64           HZ       PHE  64   3.170  -3.269  -4.611
  497    H    GLN  65           HN       GLN  65  -0.533   0.006  -5.509
  498    HA   GLN  65           HA       GLN  65   1.497   1.842  -4.611
  499   1HB   GLN  65          HB2       GLN  65   1.803  -0.197  -6.159
  500   2HB   GLN  65          HB1       GLN  65   1.182   0.845  -7.430
  501   1HG   GLN  65          HG2       GLN  65   3.003   2.340  -7.220
  502   2HG   GLN  65          HG1       GLN  65   3.540   1.579  -5.723
  503   1HE2  GLN  65          HE21      GLN  65   3.705  -0.978  -6.165
  504   2HE2  GLN  65          HE22      GLN  65   4.742  -1.361  -7.492
  505    H    GLN  66           HN       GLN  66  -1.319   1.938  -6.699
  506    HA   GLN  66           HA       GLN  66  -0.791   4.334  -8.047
  507   1HB   GLN  66          HB2       GLN  66  -2.598   2.845  -8.722
  508   2HB   GLN  66          HB1       GLN  66  -3.448   3.154  -7.213
  509   1HG   GLN  66          HG2       GLN  66  -4.510   4.821  -8.197
  510   2HG   GLN  66          HG1       GLN  66  -2.973   5.664  -8.375
  511   1HE2  GLN  66          HE21      GLN  66  -1.751   3.938 -10.204
  512   2HE2  GLN  66          HE22      GLN  66  -2.579   4.065 -11.716
  513    H    VAL  67           HN       VAL  67  -2.032   3.707  -4.833
  514    HA   VAL  67           HA       VAL  67  -3.066   6.236  -4.218
  515    HB   VAL  67           HB       VAL  67  -1.706   4.235  -2.395
  516   1HG1  VAL  67          HG11      VAL  67  -3.661   5.803  -1.046
  517   2HG1  VAL  67          HG12      VAL  67  -2.530   6.894  -1.845
  518   3HG1  VAL  67          HG13      VAL  67  -1.933   5.675  -0.720
  519   1HG2  VAL  67          HG21      VAL  67  -3.509   3.015  -2.902
  520   2HG2  VAL  67          HG22      VAL  67  -4.347   4.386  -3.629
  521   3HG2  VAL  67          HG23      VAL  67  -4.393   4.151  -1.883
  522    H    LEU  68           HN       LEU  68   0.220   4.951  -3.901
  523    HA   LEU  68           HA       LEU  68   1.295   7.370  -2.809
  524   1HB   LEU  68          HB2       LEU  68   2.416   4.796  -3.806
  525   2HB   LEU  68          HB1       LEU  68   3.490   6.169  -3.598
  526    HG   LEU  68           HG       LEU  68   2.131   6.172  -1.221
  527   1HD1  LEU  68          HD11      LEU  68   1.250   4.195  -0.737
  528   2HD1  LEU  68          HD12      LEU  68   2.802   3.414  -1.035
  529   3HD1  LEU  68          HD13      LEU  68   1.656   3.624  -2.355
  530   1HD2  LEU  68          HD21      LEU  68   4.759   5.074  -2.119
  531   2HD2  LEU  68          HD22      LEU  68   4.252   4.854  -0.443
  532   3HD2  LEU  68          HD23      LEU  68   4.408   6.479  -1.110
  533    H    ASP  69           HN       ASP  69   0.200   6.611  -5.866
  534    HA   ASP  69           HA       ASP  69   2.169   7.972  -7.433
  535   1HB   ASP  69          HB2       ASP  69   0.142   6.274  -8.061
  536   2HB   ASP  69          HB1       ASP  69  -0.607   7.818  -8.456
  537    H    GLU  70           HN       GLU  70  -1.136   8.773  -6.357
  538    HA   GLU  70           HA       GLU  70  -1.172  11.455  -7.201
  539   1HB   GLU  70          HB2       GLU  70  -3.039   9.901  -6.132
  540   2HB   GLU  70          HB1       GLU  70  -2.482  10.625  -4.626
  541   1HG   GLU  70          HG2       GLU  70  -4.452  11.734  -5.656
  542   2HG   GLU  70          HG1       GLU  70  -3.082  12.796  -5.343
  543    H    LEU  71           HN       LEU  71   0.143   9.825  -4.474
  544    HA   LEU  71           HA       LEU  71   0.735  12.100  -2.870
  545   1HB   LEU  71          HB2       LEU  71   0.324  10.097  -1.757
  546   2HB   LEU  71          HB1       LEU  71   1.337   9.180  -2.845
  547    HG   LEU  71           HG       LEU  71   3.148  10.866  -1.641
  548   1HD1  LEU  71          HD11      LEU  71   2.297  10.028   0.825
  549   2HD1  LEU  71          HD12      LEU  71   0.803  10.574   0.061
  550   3HD1  LEU  71          HD13      LEU  71   2.177  11.669   0.202
  551   1HD2  LEU  71          HD21      LEU  71   2.285   8.071  -0.904
  552   2HD2  LEU  71          HD22      LEU  71   3.781   8.830  -0.369
  553   3HD2  LEU  71          HD23      LEU  71   3.511   8.524  -2.085
  554    H    ASN  72           HN       ASN  72   3.032   9.686  -4.130
  555    HA   ASN  72           HA       ASN  72   5.314  11.205  -3.837
  556   1HB   ASN  72          HB2       ASN  72   4.846   8.693  -4.688
  557   2HB   ASN  72          HB1       ASN  72   5.230   9.452  -6.229
  558   1HD2  ASN  72          HD21      ASN  72   7.138  11.264  -5.515
  559   2HD2  ASN  72          HD22      ASN  72   8.536  10.443  -4.923
  560    H    ASN  73           HN       ASN  73   2.888  11.439  -6.296
  561    HA   ASN  73           HA       ASN  73   4.562  13.049  -8.029
  562   1HB   ASN  73          HB2       ASN  73   2.676  11.407  -8.746
  563   2HB   ASN  73          HB1       ASN  73   1.591  12.737  -8.349
  564   1HD2  ASN  73          HD21      ASN  73   0.980  13.732 -10.118
  565   2HD2  ASN  73          HD22      ASN  73   1.982  14.125 -11.470
  566    H    HIS  74           HN       HIS  74   3.316  13.751  -5.153
  567    HA   HIS  74           HA       HIS  74   2.954  16.555  -5.870
  568   1HB   HIS  74          HB2       HIS  74   0.863  14.873  -4.519
  569   2HB   HIS  74          HB1       HIS  74   0.933  16.618  -4.291
  570    HD1  HIS  74           HD1      HIS  74  -0.255  17.989  -5.992
  571    HD2  HIS  74           HD2      HIS  74   0.517  14.138  -7.346
  572    HE1  HIS  74           HE1      HIS  74  -1.419  17.812  -8.214
  573    HE2  HIS  74           HE2      HIS  74  -0.854  15.508  -9.059
  574    H    LEU  75           HN       LEU  75   5.022  15.013  -4.415
  575    HA   LEU  75           HA       LEU  75   4.936  15.296  -1.656
  576   1HB   LEU  75          HB2       LEU  75   7.037  15.193  -3.704
  577   2HB   LEU  75          HB1       LEU  75   7.506  16.128  -2.299
  578    HG   LEU  75           HG       LEU  75   8.287  14.020  -1.800
  579   1HD1  LEU  75          HD11      LEU  75   5.547  13.821  -0.598
  580   2HD1  LEU  75          HD12      LEU  75   6.742  14.997  -0.051
  581   3HD1  LEU  75          HD13      LEU  75   7.085  13.272   0.069
  582   1HD2  LEU  75          HD21      LEU  75   5.709  12.840  -2.808
  583   2HD2  LEU  75          HD22      LEU  75   7.120  11.951  -2.238
  584   3HD2  LEU  75          HD23      LEU  75   7.219  12.908  -3.713
  585    H    GLN  76           HN       GLN  76   3.741  17.157  -1.134
  586    HA   GLN  76           HA       GLN  76   4.289  19.724  -2.103
  587   1HB   GLN  76          HB2       GLN  76   2.391  18.608  -0.425
  588   2HB   GLN  76          HB1       GLN  76   3.262  19.709   0.633
  589   1HG   GLN  76          HG2       GLN  76   2.108  20.510  -2.026
  590   2HG   GLN  76          HG1       GLN  76   1.260  20.682  -0.491
  591   1HE2  GLN  76          HE21      GLN  76   1.242  22.956  -1.201
  592   2HE2  GLN  76          HE22      GLN  76   2.592  23.951  -0.787
  593    H    GLY  77           HN       GLY  77   5.317  18.123   0.902
  594   1HA   GLY  77          HA2       GLY  77   7.846  19.416   0.904
  595   2HA   GLY  77          HA1       GLY  77   6.761  20.196   2.046
  596    H    GLY  78           HN       GLY  78   6.758  16.762   1.272
  597   1HA   GLY  78          HA2       GLY  78   8.043  16.175   3.845
  598   2HA   GLY  78          HA1       GLY  78   6.428  15.550   3.556
  599    H    LYS  79           HN       LYS  79   9.311  15.785   1.492
  600    HA   LYS  79           HA       LYS  79   9.000  13.503   0.043
  601   1HB   LYS  79          HB2       LYS  79  11.345  13.559  -0.426
  602   2HB   LYS  79          HB1       LYS  79  10.786  15.216  -0.272
  603   1HG   LYS  79          HG2       LYS  79  12.183  13.676   1.906
  604   2HG   LYS  79          HG1       LYS  79  12.976  14.793   0.797
  605   1HD   LYS  79          HD2       LYS  79  10.801  15.473   2.774
  606   2HD   LYS  79          HD1       LYS  79  12.507  15.892   2.909
  607   1HE   LYS  79          HE2       LYS  79  11.555  16.802   0.390
  608   2HE   LYS  79          HE1       LYS  79  10.421  17.326   1.634
  609   1HZ   LYS  79          HZ1       LYS  79  11.861  18.998   1.902
  610   2HZ   LYS  79          HZ2       LYS  79  13.128  18.187   1.129
  611   3HZ   LYS  79          HZ3       LYS  79  12.799  17.881   2.759
  612    H    HIS  80           HN       HIS  80  10.265  13.763   3.316
  613    HA   HIS  80           HA       HIS  80  11.289  11.174   3.590
  614   1HB   HIS  80          HB2       HIS  80  10.234  13.207   5.529
  615   2HB   HIS  80          HB1       HIS  80  10.651  11.592   6.094
  616    HD1  HIS  80           HD1      HIS  80  12.157  14.770   4.866
  617    HD2  HIS  80           HD2      HIS  80  13.405  10.997   6.081
  618    HE1  HIS  80           HE1      HIS  80  14.645  14.955   5.185
  619    HE2  HIS  80           HE2      HIS  80  15.365  12.683   6.002
  620    H    THR  81           HN       THR  81   8.032  12.451   4.059
  621    HA   THR  81           HA       THR  81   6.829  10.137   5.145
  622    HB   THR  81           HB       THR  81   5.835  12.521   3.623
  623    HG1  THR  81           HG1      THR  81   5.162  11.444   6.157
  624   1HG2  THR  81          HG21      THR  81   4.339   9.990   4.007
  625   2HG2  THR  81          HG22      THR  81   4.211  11.220   2.738
  626   3HG2  THR  81          HG23      THR  81   3.500  11.516   4.325
  627    H    VAL  82           HN       VAL  82   6.595  11.300   1.788
  628    HA   VAL  82           HA       VAL  82   5.567   8.898   0.831
  629    HB   VAL  82           HB       VAL  82   7.187  10.762  -0.859
  630   1HG1  VAL  82          HG11      VAL  82   5.462   8.440  -1.279
  631   2HG1  VAL  82          HG12      VAL  82   6.632   9.188  -2.369
  632   3HG1  VAL  82          HG13      VAL  82   4.993   9.832  -2.256
  633   1HG2  VAL  82          HG21      VAL  82   5.590  12.090   0.377
  634   2HG2  VAL  82          HG22      VAL  82   4.307  10.948   0.004
  635   3HG2  VAL  82          HG23      VAL  82   5.026  11.909  -1.282
  636    H    HIS  83           HN       HIS  83   8.931  10.090   0.791
  637    HA   HIS  83           HA       HIS  83  10.104   7.971  -0.532
  638   1HB   HIS  83          HB2       HIS  83  11.103   9.793   1.636
  639   2HB   HIS  83          HB1       HIS  83  12.110   8.468   1.068
  640    HD1  HIS  83           HD1      HIS  83  10.201   9.683  -1.718
  641    HD2  HIS  83           HD2      HIS  83  13.670  10.873   0.233
  642    HE1  HIS  83           HE1      HIS  83  11.397  11.193  -3.335
  643    HE2  HIS  83           HE2      HIS  83  13.545  11.812  -2.173
  644    H    HIS  84           HN       HIS  84   9.181   8.199   2.876
  645    HA   HIS  84           HA       HIS  84  10.282   5.636   3.550
  646   1HB   HIS  84          HB2       HIS  84   9.728   7.683   5.099
  647   2HB   HIS  84          HB1       HIS  84   8.127   6.955   5.165
  648    HD1  HIS  84           HD1      HIS  84   9.208   6.952   7.802
  649    HD2  HIS  84           HD2      HIS  84  10.423   4.047   5.090
  650    HE1  HIS  84           HE1      HIS  84  10.127   5.073   9.196
  651    HE2  HIS  84           HE2      HIS  84  10.939   3.365   7.531
  652    H    ILE  85           HN       ILE  85   6.953   6.861   3.262
  653    HA   ILE  85           HA       ILE  85   5.655   4.401   3.489
  654    HB   ILE  85           HB       ILE  85   4.440   6.497   3.702
  655   1HG1  ILE  85          HG12      ILE  85   3.579   4.364   1.952
  656   2HG1  ILE  85          HG11      ILE  85   2.702   5.233   3.200
  657   1HG2  ILE  85          HG21      ILE  85   5.920   7.385   1.756
  658   2HG2  ILE  85          HG22      ILE  85   4.372   8.120   2.176
  659   3HG2  ILE  85          HG23      ILE  85   4.490   7.007   0.807
  660   1HD1  ILE  85          HD11      ILE  85   1.723   6.645   1.728
  661   2HD1  ILE  85          HD12      ILE  85   1.953   5.260   0.669
  662   3HD1  ILE  85          HD13      ILE  85   3.079   6.606   0.602
  663    H    GLU  86           HN       GLU  86   7.157   5.949   0.710
  664    HA   GLU  86           HA       GLU  86   6.108   3.985  -1.150
  665   1HB   GLU  86          HB2       GLU  86   7.413   5.113  -2.855
  666   2HB   GLU  86          HB1       GLU  86   6.531   6.300  -1.911
  667   1HG   GLU  86          HG2       GLU  86   8.395   7.396  -1.535
  668   2HG   GLU  86          HG1       GLU  86   9.079   5.984  -0.731
  669    H    GLN  87           HN       GLN  87   9.164   4.615   0.537
  670    HA   GLN  87           HA       GLN  87  10.570   2.479  -0.726
  671   1HB   GLN  87          HB2       GLN  87  11.010   4.179   1.685
  672   2HB   GLN  87          HB1       GLN  87  11.852   2.642   1.623
  673   1HG   GLN  87          HG2       GLN  87  13.027   4.753   0.734
  674   2HG   GLN  87          HG1       GLN  87  13.137   3.256  -0.188
  675   1HE2  GLN  87          HE21      GLN  87  11.843   3.034  -2.075
  676   2HE2  GLN  87          HE22      GLN  87  11.288   4.426  -2.933
  677    H    ASN  88           HN       ASN  88   8.257   2.793   1.786
  678    HA   ASN  88           HA       ASN  88   8.649   0.160   2.900
  679   1HB   ASN  88          HB2       ASN  88   6.876   2.501   3.427
  680   2HB   ASN  88          HB1       ASN  88   6.282   0.913   3.913
  681   1HD2  ASN  88          HD21      ASN  88   9.530   2.325   3.918
  682   2HD2  ASN  88          HD22      ASN  88   9.814   2.098   5.607
  683    H    ILE  89           HN       ILE  89   6.101   1.843   1.057
  684    HA   ILE  89           HA       ILE  89   4.553  -0.479   0.615
  685    HB   ILE  89           HB       ILE  89   4.350   2.297  -0.096
  686   1HG1  ILE  89          HG12      ILE  89   2.000   0.751  -0.645
  687   2HG1  ILE  89          HG11      ILE  89   2.784   0.147   0.815
  688   1HG2  ILE  89          HG21      ILE  89   4.879   1.754  -2.367
  689   2HG2  ILE  89          HG22      ILE  89   3.137   2.001  -2.260
  690   3HG2  ILE  89          HG23      ILE  89   3.787   0.367  -2.341
  691   1HD1  ILE  89          HD11      ILE  89   2.724   3.008   0.902
  692   2HD1  ILE  89          HD12      ILE  89   1.966   1.843   1.987
  693   3HD1  ILE  89          HD13      ILE  89   1.107   2.395   0.551
  694    H    LYS  90           HN       LYS  90   6.826   1.268  -1.496
  695    HA   LYS  90           HA       LYS  90   6.568  -0.429  -3.669
  696   1HB   LYS  90          HB2       LYS  90   9.035   1.084  -2.786
  697   2HB   LYS  90          HB1       LYS  90   8.804   0.375  -4.376
  698   1HG   LYS  90          HG2       LYS  90   6.862   2.381  -3.305
  699   2HG   LYS  90          HG1       LYS  90   8.375   2.891  -4.058
  700   1HD   LYS  90          HD2       LYS  90   6.618   0.928  -5.465
  701   2HD   LYS  90          HD1       LYS  90   6.201   2.643  -5.491
  702   1HE   LYS  90          HE2       LYS  90   7.545   2.710  -7.289
  703   2HE   LYS  90          HE1       LYS  90   8.843   2.739  -6.097
  704   1HZ   LYS  90          HZ1       LYS  90   9.449   0.638  -6.576
  705   2HZ   LYS  90          HZ2       LYS  90   8.705   0.962  -8.059
  706   3HZ   LYS  90          HZ3       LYS  90   7.866   0.111  -6.862
  707    H    GLU  91           HN       GLU  91   8.219  -0.827  -0.667
  708    HA   GLU  91           HA       GLU  91   9.655  -3.193  -1.573
  709   1HB   GLU  91          HB2       GLU  91  10.665  -1.501   0.015
  710   2HB   GLU  91          HB1       GLU  91   9.523  -2.066   1.226
  711   1HG   GLU  91          HG2       GLU  91  10.623  -4.406   0.429
  712   2HG   GLU  91          HG1       GLU  91  11.983  -3.305   0.219
  713    H    ILE  92           HN       ILE  92   6.584  -2.477  -0.551
  714    HA   ILE  92           HA       ILE  92   6.109  -4.753   1.113
  715    HB   ILE  92           HB       ILE  92   4.634  -2.398   0.338
  716   1HG1  ILE  92          HG12      ILE  92   3.524  -2.797   2.465
  717   2HG1  ILE  92          HG11      ILE  92   4.141  -4.445   2.505
  718   1HG2  ILE  92          HG21      ILE  92   3.092  -4.982   0.285
  719   2HG2  ILE  92          HG22      ILE  92   3.328  -3.880  -1.071
  720   3HG2  ILE  92          HG23      ILE  92   2.382  -3.368   0.328
  721   1HD1  ILE  92          HD11      ILE  92   6.456  -3.155   2.314
  722   2HD1  ILE  92          HD12      ILE  92   5.663  -3.472   3.858
  723   3HD1  ILE  92          HD13      ILE  92   5.502  -1.892   3.092
  724    H    PHE  93           HN       PHE  93   5.390  -3.777  -2.209
  725    HA   PHE  93           HA       PHE  93   3.940  -5.932  -3.105
  726   1HB   PHE  93          HB2       PHE  93   4.321  -5.095  -5.193
  727   2HB   PHE  93          HB1       PHE  93   5.019  -3.748  -4.296
  728    HD1  PHE  93           HD1      PHE  93   5.568  -5.757  -7.004
  729    HD2  PHE  93           HD2      PHE  93   7.560  -4.365  -3.515
  730    HE1  PHE  93           HE1      PHE  93   7.739  -6.185  -8.076
  731    HE2  PHE  93           HE2      PHE  93   9.727  -4.792  -4.573
  732    HZ   PHE  93           HZ       PHE  93   9.829  -5.696  -6.865
  733    H    HIS  94           HN       HIS  94   7.328  -5.752  -2.310
  734    HA   HIS  94           HA       HIS  94   8.283  -8.011  -3.660
  735   1HB   HIS  94          HB2       HIS  94   9.336  -6.121  -1.898
  736   2HB   HIS  94          HB1       HIS  94   9.526  -7.652  -1.052
  737    HD1  HIS  94           HD1      HIS  94  10.754  -9.581  -2.591
  738    HD2  HIS  94           HD2      HIS  94  11.312  -5.609  -3.676
  739    HE1  HIS  94           HE1      HIS  94  12.793  -9.566  -4.064
  740    HE2  HIS  94           HE2      HIS  94  13.065  -7.164  -4.771
  741    H    HIS  95           HN       HIS  95   7.454  -7.754  -0.209
  742    HA   HIS  95           HA       HIS  95   7.368 -10.566   0.171
  743   1HB   HIS  95          HB2       HIS  95   6.310  -8.268   1.826
  744   2HB   HIS  95          HB1       HIS  95   6.232  -9.949   2.343
  745    HD1  HIS  95           HD1      HIS  95   9.326  -9.480   0.588
  746    HD2  HIS  95           HD2      HIS  95   7.961  -8.694   4.433
  747    HE1  HIS  95           HE1      HIS  95  11.393  -9.202   1.992
  748    HE2  HIS  95           HE2      HIS  95  10.543  -8.632   4.293
  749    H    LEU  96           HN       LEU  96   5.270  -8.474  -1.421
  750    HA   LEU  96           HA       LEU  96   2.847  -9.941  -0.721
  751   1HB   LEU  96          HB2       LEU  96   3.409  -7.616  -2.548
  752   2HB   LEU  96          HB1       LEU  96   1.835  -8.390  -2.468
  753    HG   LEU  96           HG       LEU  96   3.262  -6.877  -0.310
  754   1HD1  LEU  96          HD11      LEU  96   2.097  -5.449  -1.830
  755   2HD1  LEU  96          HD12      LEU  96   1.127  -5.559  -0.360
  756   3HD1  LEU  96          HD13      LEU  96   0.668  -6.482  -1.791
  757   1HD2  LEU  96          HD21      LEU  96   1.329  -7.381   1.141
  758   2HD2  LEU  96          HD22      LEU  96   2.282  -8.813   0.746
  759   3HD2  LEU  96          HD23      LEU  96   0.747  -8.523  -0.074
  760    H    GLU  97           HN       GLU  97   4.667  -9.202  -3.685
  761    HA   GLU  97           HA       GLU  97   3.334 -11.213  -5.210
  762   1HB   GLU  97          HB2       GLU  97   5.502  -9.257  -5.647
  763   2HB   GLU  97          HB1       GLU  97   5.622 -10.726  -6.605
  764   1HG   GLU  97          HG2       GLU  97   2.954  -9.931  -6.802
  765   2HG   GLU  97          HG1       GLU  97   3.902  -8.450  -6.945
  766    H    GLU  98           HN       GLU  98   5.674 -11.324  -2.805
  767    HA   GLU  98           HA       GLU  98   7.067 -13.653  -3.871
  768   1HB   GLU  98          HB2       GLU  98   7.377 -11.916  -1.461
  769   2HB   GLU  98          HB1       GLU  98   8.033 -13.545  -1.410
  770   1HG   GLU  98          HG2       GLU  98   9.332 -13.051  -3.448
  771   2HG   GLU  98          HG1       GLU  98   8.730 -11.395  -3.398
  772    H    LEU  99           HN       LEU  99   4.540 -12.861  -1.611
  773    HA   LEU  99           HA       LEU  99   4.445 -15.336  -0.242
  774   1HB   LEU  99          HB2       LEU  99   3.418 -13.246   0.588
  775   2HB   LEU  99          HB1       LEU  99   2.236 -13.331  -0.704
  776    HG   LEU  99           HG       LEU  99   1.695 -15.678   0.339
  777   1HD1  LEU  99          HD11      LEU  99   2.704 -16.185   2.245
  778   2HD1  LEU  99          HD12      LEU  99   2.073 -14.718   2.985
  779   3HD1  LEU  99          HD13      LEU  99   3.630 -14.688   2.156
  780   1HD2  LEU  99          HD21      LEU  99   0.125 -14.476   1.952
  781   2HD2  LEU  99          HD22      LEU  99   0.009 -14.054   0.244
  782   3HD2  LEU  99          HD23      LEU  99   0.854 -12.983   1.361
  783    H    VAL 100           HN       VAL 100   2.366 -14.023  -2.824
  784    HA   VAL 100           HA       VAL 100   0.894 -16.380  -3.236
  785    HB   VAL 100           HB       VAL 100   1.465 -14.280  -5.325
  786   1HG1  VAL 100          HG11      VAL 100  -0.047 -16.654  -5.378
  787   2HG1  VAL 100          HG12      VAL 100   0.010 -15.375  -6.593
  788   3HG1  VAL 100          HG13      VAL 100  -1.202 -15.323  -5.313
  789   1HG2  VAL 100          HG21      VAL 100  -0.928 -13.571  -4.295
  790   2HG2  VAL 100          HG22      VAL 100   0.608 -12.866  -3.789
  791   3HG2  VAL 100          HG23      VAL 100  -0.119 -14.167  -2.844
  792    H    HIS 101           HN       HIS 101   3.898 -15.219  -4.677
  793    HA   HIS 101           HA       HIS 101   4.087 -17.143  -6.724
  794   1HB   HIS 101          HB2       HIS 101   5.450 -14.996  -6.437
  795   2HB   HIS 101          HB1       HIS 101   6.455 -15.914  -5.322
  796    HD1  HIS 101           HD1      HIS 101   6.425 -14.910  -8.695
  797    HD2  HIS 101           HD2      HIS 101   7.328 -18.479  -6.769
  798    HE1  HIS 101           HE1      HIS 101   7.830 -16.214 -10.321
  799    HE2  HIS 101           HE2      HIS 101   8.423 -18.341  -9.109
  800    H    ARG 102           HN       ARG 102   5.154 -17.147  -3.361
  801    HA   ARG 102           HA       ARG 102   6.546 -19.635  -3.549
  802   1HB   ARG 102          HB2       ARG 102   5.945 -17.659  -1.478
  803   2HB   ARG 102          HB1       ARG 102   5.923 -19.311  -0.877
  804   1HG   ARG 102          HG2       ARG 102   8.146 -19.567  -1.101
  805   2HG   ARG 102          HG1       ARG 102   8.215 -18.614  -2.585
  806   1HD   ARG 102          HD2       ARG 102   9.373 -17.319  -1.025
  807   2HD   ARG 102          HD1       ARG 102   7.769 -16.590  -1.079
  808    HE   ARG 102           HE       ARG 102   8.033 -18.579   0.968
  809   1HH1  ARG 102          HH11      ARG 102   8.584 -15.225   0.177
  810   2HH1  ARG 102          HH12      ARG 102   8.536 -14.699   1.826
  811   1HH2  ARG 102          HH21      ARG 102   7.968 -17.889   3.138
  812   2HH2  ARG 102          HH22      ARG 102   8.187 -16.211   3.507